CRKL_HUMAN Loading...

Crk-like protein

May mediate the transduction of intracellular signals.

AlphaFold DB , UniProt , Accession P46109, Species HUMAN (Homo sapiens, Human), Gene CRKL, Length 303 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low60.8Low231 Ų231100.9 Ų100.9100%1.13853%0.531SS*.  096.90-72.4178.9175.600107.3S3M1-S3 PolarHBondContact O-N 2.63Å
2S36.7Very low61.7Low102 Ų10298.3 Ų98.371%0.71353%0.527SS*.  trans-72.887.5172.1-55.80000107A4S2-A4 PolarHBondContact O-N 3.21Å
3S44.4Very low62.5Low95 Ų9593.1 Ų93.166%0.66451%0.506SS*.  trans-55.6110.5173.6-60.80000107.4M1 R5M1-S3 PolarHBondContact O-N 2.63Å; S3-R5 PolarHBondContact O-N 2.86Å
4A55Low64Low19 Ų1986.6 Ų86.616%0.15747%0.471CS..  trans-53.1117.3-177.100000110S2 F6 K89 L98 I99S2-A4 PolarHBondContact O-N 3.21Å; A4-F6 HydrophobicContact CB-CD1 4.06Å; A4-F6 HydrophobicContact CB-CE1 3.8Å; A4-F6 PolarHBondContact O-N 2.79Å; A4-F6 VanDerWaalsContact O-N 3.11Å; A4-K89 HydrophobicContact CB-CB 3.82Å; A4-K89 HydrophobicContact CB-CD 4Å; A4-K89 HydrophobicContact CB-CG 3.65Å; A4-K89 PolarHBondContact O-NZ 3.17Å; A4-L98 WeakPolarHBondContact CB-O 3.49Å; A4-I99 WeakPolarHBondContact CA-O 3.03Å
5R60Low65.4Low231 Ų23183.5 Ų83.587%0.87245%0.45SS*.  trans-83.222.6-163.7-75.6-79.5-174.5122.40.5112.8S3 I99S3-R5 PolarHBondContact O-N 2.86Å; R5-I99 PolarHBondContact N-O 3.15Å
6F67.8Low66Low9 Ų980.1 Ų80.14%0.03943%0.431CS..SBendtrans-127.4143.1-174.674.7-91.4000112.9A4 S8 F36 L85 K89 L98 I99 P101A4-F6 HydrophobicContact CB-CD1 4.06Å; A4-F6 HydrophobicContact CB-CE1 3.8Å; A4-F6 PolarHBondContact O-N 2.79Å; A4-F6 VanDerWaalsContact O-N 3.11Å; F6-S8 WeakPolarHBondContact CE2-OG 3.5Å; F6-S8 PolarHBondContact O-N 3.44Å; F6-F36 AromaticContact CD1-CE1 3.66Å; F6-F36 HydrophobicContact CD1-CE1 3.66Å; F6-F36 AromaticContact CD1-CZ 3.94Å; F6-F36 HydrophobicContact CD1-CZ 3.94Å; F6-F36 HydrophobicContact CD2-CE1 4.36Å; F6-F36 AromaticContact CD2-CZ 3.78Å; F6-F36 HydrophobicContact CD2-CZ 3.78Å; F6-F36 HydrophobicContact CE1-CD1 4.46Å; F6-F36 AromaticContact CE1-CE1 3.31Å; F6-F36 HydrophobicContact CE1-CE1 3.31Å; F6-F36 AromaticContact CE1-CZ 3.61Å; F6-F36 HydrophobicContact CE1-CZ 3.61Å; F6-F36 HydrophobicContact CE2-CE1 4.09Å; F6-F36 HydrophobicContact CE2-CE2 4.43Å; F6-F36 AromaticContact CE2-CZ 3.47Å; F6-F36 HydrophobicContact CE2-CZ 3.47Å; F6-F36 VanDerWaalsContact CE2-CZ 3.47Å; F6-F36 HydrophobicContact CG-CE1 4.17Å; F6-F36 HydrophobicContact CG-CZ 4.01Å; F6-F36 AromaticContact CZ-CE1 3.55Å; F6-F36 HydrophobicContact CZ-CE1 3.55Å; F6-F36 HydrophobicContact CZ-CE2 4.43Å; F6-F36 AromaticContact CZ-CZ 3.36Å; F6-F36 HydrophobicContact CZ-CZ 3.36Å; F6-L85 HydrophobicContact CE2-CB 4.1Å; F6-L85 HydrophobicContact CE2-CD2 3.95Å; F6-L85 HydrophobicContact CZ-CB 4.4Å; F6-K89 HydrophobicContact CE1-CD 4.04Å; F6-K89 HydrophobicContact CE1-CG 3.65Å; F6-K89 HydrophobicContact CE2-CD 4.12Å; F6-K89 HydrophobicContact CE2-CG 4.3Å; F6-K89 HydrophobicContact CZ-CD 3.66Å; F6-K89 HydrophobicContact CZ-CG 3.38Å; F6-K89 PolarHBondContact O-NZ 2.89Å; F6-L98 HydrophobicContact CE1-CB 4.09Å; F6-L98 HydrophobicContact CZ-CB 4.1Å; F6-I99 WeakPolarHBondContact CD1-O 3.34Å; F6-P101 HydrophobicContact CB-CG 3.99Å
7D71.5Confident66.8Low119 Ų11975.8 Ų75.864%0.63641%0.41SS*.  trans-79.9107.1170.8-71.8-85000109.6S9 D10D7-S9 PolarHBondContact O-N 3.33Å; D7-D10 HydrophobicContact CB-CB 4.1Å; D7-D10 PolarHBondContact O-N 2.77Å
8S74.7Confident67.4Low4 Ų478.2 Ų78.23%0.02843%0.43CS..THydrogen-bonded Turntrans-60.2-25.5175.6-54.10000112.2F6 W14 P82F6-S8 WeakPolarHBondContact CE2-OG 3.5Å; F6-S8 PolarHBondContact O-N 3.44Å; S8-W14 PolarHBondContact O-NE1 2.83Å; S8-P82 WeakPolarHBondContact CB-O 3.42Å; S8-P82 WeakPolarHBondContact O-CB 3.33Å
9S72.9Confident68Low105 Ų10574.8 Ų74.873%0.73441%0.412SS*.THydrogen-bonded Turntrans-72.9-26.1176.6-62.60000113.2D7 R11D7-S9 PolarHBondContact O-N 3.33Å; S9-R11 VanDerWaalsContact C-N 3.31Å; S9-R11 PolarHBondContact O-N 2.9Å
10D74.5Confident68.7Low80 Ų8074.3 Ų74.343%0.42841%0.414SS..  trans-80.284.9177.7-163.6-90.2000109D7 S12 A13 W14D7-D10 HydrophobicContact CB-CB 4.1Å; D7-D10 PolarHBondContact O-N 2.77Å; D10-S12 PolarHBondContact O-N 3.16Å; D10-S12 VanDerWaalsContact OD1-CA 3.27Å; D10-S12 WeakPolarHBondContact OD1-CA 3.44Å; D10-S12 WeakPolarHBondContact OD1-CB 3.21Å; D10-S12 PolarHBondContact OD1-N 3.18Å; D10-A13 HydrophobicContact CB-CB 4.14Å; D10-A13 WeakPolarHBondContact O-CB 3.41Å; D10-A13 PolarHBondContact O-N 3.42Å; D10-A13 PolarHBondContact OD1-N 3.32Å; D10-W14 PolarHBondContact O-NE1 3.12Å
11R75.8Confident69.3Low115 Ų11578.1 Ų78.143%0.43442%0.422SS..Hα-helixtrans-50.4-29.7173-173.7176.3-178.3172.14.2110.5S9 A13 W14 Y15 Y48S9-R11 VanDerWaalsContact C-N 3.31Å; S9-R11 PolarHBondContact O-N 2.9Å; R11-A13 VanDerWaalsContact C-N 3.28Å; R11-A13 PolarHBondContact O-N 2.99Å; R11-W14 HydrophobicContact CB-CH2 4.35Å; R11-W14 HydrophobicContact CB-CZ2 3.99Å; R11-W14 HydrophobicContact CG-CH2 3.91Å; R11-W14 HydrophobicContact CG-CZ2 4.06Å; R11-W14 HydrophobicContact CG-CZ3 4.36Å; R11-Y15 HydrophobicContact CG-CD1 4.2Å; R11-Y15 HydrophobicContact CG-CG 4.07Å; R11-Y15 WeakPolarHBondContact O-CB 3.26Å; R11-Y15 PolarHBondContact O-N 2.69Å; R11-Y48 PolarHBondContact NH2-OH 2.84Å
12S71.9Confident71.6Confident69 Ų6974.6 Ų74.648%0.48340%0.403SS..Hα-helixtrans-69.7-18.6178-78.60000115.3D10 R104D10-S12 PolarHBondContact O-N 3.16Å; D10-S12 VanDerWaalsContact OD1-CA 3.27Å; D10-S12 WeakPolarHBondContact OD1-CA 3.44Å; D10-S12 WeakPolarHBondContact OD1-CB 3.21Å; D10-S12 PolarHBondContact OD1-N 3.18Å; S12-R104 PolarHBondContact O-NE 2.92Å; S12-R104 VanDerWaalsContact O-NE 3.14Å; S12-R104 PolarHBondContact O-NH1 2.86Å; S12-R104 PolarHBondContact O-NH2 3.17Å
13A72.2Confident73.8Confident31 Ų3173.7 Ų73.726%0.25639%0.387SS..Hα-helixtrans-79-45.8179.200000110.8D10 R11 P101D10-A13 HydrophobicContact CB-CB 4.14Å; D10-A13 WeakPolarHBondContact O-CB 3.41Å; D10-A13 PolarHBondContact O-N 3.42Å; D10-A13 PolarHBondContact OD1-N 3.32Å; R11-A13 VanDerWaalsContact C-N 3.28Å; R11-A13 PolarHBondContact O-N 2.99Å; A13-P101 HydrophobicContact CB-CG 4.06Å; A13-P101 WeakPolarHBondContact O-CB 3.43Å
14W82.7Confident75.7Confident3 Ų369.2 Ų69.21%0.01136%0.356CS..Hα-helixtrans-107.7-23.9-168.548.8-98000114.8S8 D10 R11 F36 V38 L81 L85 P101S8-W14 PolarHBondContact O-NE1 2.83Å; D10-W14 PolarHBondContact O-NE1 3.12Å; R11-W14 HydrophobicContact CB-CH2 4.35Å; R11-W14 HydrophobicContact CB-CZ2 3.99Å; R11-W14 HydrophobicContact CG-CH2 3.91Å; R11-W14 HydrophobicContact CG-CZ2 4.06Å; R11-W14 HydrophobicContact CG-CZ3 4.36Å; W14-F36 HydrophobicContact CB-CE2 3.63Å; W14-F36 HydrophobicContact CB-CZ 4.14Å; W14-F36 HydrophobicContact CG-CE2 4.41Å; W14-V38 HydrophobicContact CD2-CG2 4.39Å; W14-V38 HydrophobicContact CE3-CB 3.59Å; W14-V38 HydrophobicContact CE3-CG1 4.36Å; W14-V38 HydrophobicContact CE3-CG2 3.4Å; W14-V38 HydrophobicContact CZ3-CB 3.82Å; W14-V38 HydrophobicContact CZ3-CG1 4.08Å; W14-V38 HydrophobicContact CZ3-CG2 3.79Å; W14-V38 PolarHBondContact O-N 3.25Å; W14-L81 HydrophobicContact CH2-CB 3.7Å; W14-L81 HydrophobicContact CH2-CD1 3.97Å; W14-L81 HydrophobicContact CH2-CG 4.42Å; W14-L81 HydrophobicContact CZ2-CB 4.45Å; W14-L81 HydrophobicContact CZ3-CB 4.34Å; W14-L81 HydrophobicContact CZ3-CD1 4.17Å; W14-L85 HydrophobicContact CB-CD2 3.97Å; W14-L85 HydrophobicContact CD2-CD2 3.48Å; W14-L85 VanDerWaalsContact CD2-CD2 3.48Å; W14-L85 HydrophobicContact CE3-CD2 4.07Å; W14-L85 HydrophobicContact CG-CD2 3.42Å; W14-L85 VanDerWaalsContact CG-CD2 3.42Å; W14-L85 HydrophobicContact CZ2-CD2 4.47Å; W14-P101 HydrophobicContact CB-CB 3.86Å
15Y84.9Confident77.1Confident40 Ų4071.6 Ų71.616%0.15736%0.364CS..EExtended strand (participates in β ladder)trans-85.2117.6-178.5-177.8-114.1000110.4R11 V38 Y48 R104R11-Y15 HydrophobicContact CG-CD1 4.2Å; R11-Y15 HydrophobicContact CG-CG 4.07Å; R11-Y15 WeakPolarHBondContact O-CB 3.26Å; R11-Y15 PolarHBondContact O-N 2.69Å; Y15-V38 CarbonylContact C-O 3.58Å; Y15-V38 WeakPolarHBondContact CA-O 3.27Å; Y15-V38 HydrophobicContact CD2-CB 4.38Å; Y15-V38 HydrophobicContact CD2-CG1 4.2Å; Y15-Y48 HydrophobicContact CD2-CD1 4.38Å; Y15-Y48 HydrophobicContact CD2-CE1 4.38Å; Y15-Y48 AromaticContact CE2-CD1 3.74Å; Y15-Y48 HydrophobicContact CE2-CD1 3.74Å; Y15-Y48 AromaticContact CE2-CE1 3.57Å; Y15-Y48 HydrophobicContact CE2-CE1 3.57Å; Y15-R104 PolarHBondContact O-NE 2.87Å; Y15-R104 PolarHBondContact O-NH2 3.12Å
16M76Confident78.2Confident28 Ų2865.6 Ų65.614%0.13835%0.353CS..EExtended strand (participates in β ladder)trans-93.6-6.1-179.3-62.8-68.1148.100113.5V19 L37 V38 A102 R104M16-V19 HydrophobicContact CB-CB 4.21Å; M16-V19 HydrophobicContact CB-CG2 3.55Å; M16-L37 HydrophobicContact CB-CD1 4.47Å; M16-L37 HydrophobicContact CE-CB 4.45Å; M16-L37 HydrophobicContact CG-CB 3.78Å; M16-L37 HydrophobicContact CG-CD1 4.08Å; M16-L37 HydrophobicContact CG-CD2 4.39Å; M16-L37 HydrophobicContact CG-CG 4.29Å; M16-V38 PolarHBondContact N-O 2.84Å; M16-A102 WeakPolarHBondContact CE-O 3.41Å; M16-R104 HydrophobicContact CE-CB 4.41Å; M16-R104 HydrophobicContact CE-CG 3.77Å; M16-R104 VanDerWaalsContact SD-CA 3.6Å; M16-R104 HydrophobicContact SD-CB 4.26Å; M16-R104 HydrophobicContact SD-CG 3.91Å
17G78.8Confident78.7Confident8 Ų866.9 Ų66.98%0.08236%0.357CS..EExtended strand (participates in β ladder)trans77.8-147.6-174.200000112.5V19 R39 D40G17-V19 PolarHBondContact O-N 2.76Å; G17-R39 CarbonylContact O-C 3.54Å; G17-R39 WeakPolarHBondContact O-CA 3.23Å; G17-D40 PolarHBondContact O-N 2.55Å
18P78.5Confident79.4Confident118 Ų11861.2 Ų61.277%0.76633%0.327SS*.SBendtrans-77.958.4-175.534.2-36.6000112.2D40P18-D40 HydrophobicContact CB-CB 4.42Å
19V78.3Confident79.6Confident15 Ų1566.1 Ų66.19%0.09135%0.349CS..  trans-79.1132.9175.2166.40000110.3M16 G17 E23 A24 R39M16-V19 HydrophobicContact CB-CB 4.21Å; M16-V19 HydrophobicContact CB-CG2 3.55Å; G17-V19 PolarHBondContact O-N 2.76Å; V19-E23 HydrophobicContact CG1-CB 3.86Å; V19-E23 HydrophobicContact CG1-CG 3.89Å; V19-A24 HydrophobicContact CG1-CB 3.92Å; V19-R39 HydrophobicContact CB-CB 3.99Å; V19-R39 WeakPolarHBondContact O-CD 3.49Å; V19-R39 PolarHBondContact O-NH1 2.77Å
20S82.6Confident79.7Confident64 Ų6464.5 Ų64.545%0.44835%0.349SS..  trans-68.1150.3175.9-76.70000111.4Q22 E23 A24S20-Q22 PolarHBondContact O-N 3.4Å; S20-Q22 VanDerWaalsContact O-N 3.16Å; S20-E23 PolarHBondContact O-N 3.49Å; S20-A24 PolarHBondContact O-N 3.16Å
21R81.6Confident79.8Confident154 Ų15464 Ų6458%0.58134%0.344SS*.Hα-helixtrans-50-43.6175.7-179.1-176.9173.7-177.4-2.1112.3A24 Q25R21-A24 PolarHBondContact O-N 2.74Å; R21-Q25 WeakPolarHBondContact O-CB 3.3Å; R21-Q25 PolarHBondContact O-N 2.88Å
22Q82.5Confident79.9Confident157 Ų15764.9 Ų64.973%0.73435%0.348SS*.Hα-helixtrans-63.8-45.4179.6-69.817478.600111.6S20 Q25 T26S20-Q22 PolarHBondContact O-N 3.4Å; S20-Q22 VanDerWaalsContact O-N 3.16Å; Q22-Q25 WeakPolarHBondContact O-CB 3.4Å; Q22-Q25 PolarHBondContact O-N 3.04Å; Q22-T26 PolarHBondContact O-N 3.16Å; Q22-T26 PolarHBondContact O-OG1 2.77Å; Q22-T26 VanDerWaalsContact O-OG1 3.1Å
23E83.2Confident80.4Confident84 Ų8465.8 Ų65.839%0.39334%0.344SS..Hα-helixtrans-65.5-43.9178.3179.7166.763.500111.3V19 S20 Q25 T26 R27V19-E23 HydrophobicContact CG1-CB 3.86Å; V19-E23 HydrophobicContact CG1-CG 3.89Å; S20-E23 PolarHBondContact O-N 3.49Å; E23-Q25 PolarHBondContact O-N 2.82Å; E23-T26 PolarHBondContact O-N 3.03Å; E23-R27 HydrophobicContact CG-CG 4.42Å; E23-R27 WeakPolarHBondContact O-CB 3.36Å; E23-R27 WeakPolarHBondContact O-CG 3.33Å; E23-R27 PolarHBondContact O-N 3.1Å; E23-R27 IonicContact OE2-NH2 3.59Å
24A83.5Confident80.7Confident0 Ų064.3 Ų64.30%033%0.332CS..Hα-helixtrans-57.5-39.5172.400000112.3V19 S20 R21 L28 L37V19-A24 HydrophobicContact CG1-CB 3.92Å; S20-A24 PolarHBondContact O-N 3.16Å; R21-A24 PolarHBondContact O-N 2.74Å; A24-L28 WeakPolarHBondContact O-CB 3.12Å; A24-L28 WeakPolarHBondContact O-CG 3.31Å; A24-L28 PolarHBondContact O-N 2.89Å; A24-L28 VanDerWaalsContact O-N 3.12Å; A24-L37 HydrophobicContact CB-CD1 3.87Å; A24-L37 HydrophobicContact CB-CD2 4.23Å
25Q84.8Confident80.9Confident70 Ų7064.7 Ų64.733%0.32733%0.334SS..Hα-helixtrans-64.7-51175-173.3-177-59.800110.8R21 Q22 E23 R27 L28 Q29 V58R21-Q25 WeakPolarHBondContact O-CB 3.3Å; R21-Q25 PolarHBondContact O-N 2.88Å; Q22-Q25 WeakPolarHBondContact O-CB 3.4Å; Q22-Q25 PolarHBondContact O-N 3.04Å; E23-Q25 PolarHBondContact O-N 2.82Å; Q25-R27 PolarHBondContact O-N 3.15Å; Q25-L28 PolarHBondContact O-N 3.32Å; Q25-L28 VanDerWaalsContact O-N 3.17Å; Q25-Q29 WeakPolarHBondContact O-CA 3.13Å; Q25-Q29 WeakPolarHBondContact O-CB 3.43Å; Q25-Q29 PolarHBondContact O-N 2.76Å; Q25-V58 HydrophobicContact CG-CB 4.17Å; Q25-V58 HydrophobicContact CG-CG2 4.05Å
26T83.8Confident81.1Confident104 Ų10462.8 Ų62.864%0.63833%0.326SS*.Hα-helixtrans-58.8-35.7178.4-57.40000112.4Q22 E23Q22-T26 PolarHBondContact O-N 3.16Å; Q22-T26 PolarHBondContact O-OG1 2.77Å; Q22-T26 VanDerWaalsContact O-OG1 3.1Å; E23-T26 PolarHBondContact O-N 3.03Å
27R78.8Confident81.8Confident37 Ų3761.5 Ų61.514%0.1432%0.32CS..Hα-helixtrans-70.9-34.8177.8-67.7-67.3-173.895.513.8113.5E23 Q25 Q31 L37 P103 R104 Y105 P106E23-R27 HydrophobicContact CG-CG 4.42Å; E23-R27 WeakPolarHBondContact O-CB 3.36Å; E23-R27 WeakPolarHBondContact O-CG 3.33Å; E23-R27 PolarHBondContact O-N 3.1Å; E23-R27 IonicContact OE2-NH2 3.59Å; Q25-R27 PolarHBondContact O-N 3.15Å; R27-Q31 WeakPolarHBondContact O-CG 3.45Å; R27-L37 HydrophobicContact CB-CD2 4.24Å; R27-P103 PolarHBondContact NH1-O 3.09Å; R27-R104 PolarHBondContact NH1-O 3.17Å; R27-Y105 VanDerWaalsContact CZ-C 3.47Å; R27-Y105 PolarHBondContact NH1-O 2.78Å; R27-P106 VanDerWaalsContact CZ-CA 3.48Å; R27-P106 VanDerWaalsContact NE-CA 3.3Å; R27-P106 VanDerWaalsContact NE-CB 3.27Å; R27-P106 VanDerWaalsContact NH2-CG 3.3Å
28L84.6Confident82.3Confident0 Ų061.1 Ų61.10%032%0.316CS..Hα-helixtrans-96.7-22.4-176.1-72.3172.2000112.7A24 Q25 G30 Q31 M35 L37 S51 S53 V58 A102A24-L28 WeakPolarHBondContact O-CB 3.12Å; A24-L28 WeakPolarHBondContact O-CG 3.31Å; A24-L28 PolarHBondContact O-N 2.89Å; A24-L28 VanDerWaalsContact O-N 3.12Å; Q25-L28 PolarHBondContact O-N 3.32Å; Q25-L28 VanDerWaalsContact O-N 3.17Å; L28-G30 PolarHBondContact O-N 2.75Å; L28-Q31 WeakPolarHBondContact O-CB 3.13Å; L28-Q31 PolarHBondContact O-N 3.43Å; L28-M35 HydrophobicContact CD2-CB 3.93Å; L28-M35 HydrophobicContact CD2-CG 3.51Å; L28-M35 WeakPolarHBondContact CD2-O 3.15Å; L28-L37 HydrophobicContact CD1-CD2 3.78Å; L28-L37 HydrophobicContact CD1-CG 3.91Å; L28-L37 HydrophobicContact CD2-CD2 4.29Å; L28-L37 HydrophobicContact CG-CD2 3.76Å; L28-L37 HydrophobicContact CG-CG 4.39Å; L28-S51 VanDerWaalsContact CD1-C 3.42Å; L28-S51 VanDerWaalsContact CD1-CB 3.48Å; L28-S51 WeakPolarHBondContact CD1-O 3.15Å; L28-S53 WeakPolarHBondContact O-CB 3.3Å; L28-S53 PolarHBondContact O-OG 2.86Å; L28-S53 VanDerWaalsContact O-OG 3.1Å; L28-V58 HydrophobicContact CB-CB 4.34Å; L28-V58 HydrophobicContact CB-CG1 3.84Å; L28-V58 HydrophobicContact CB-CG2 3.52Å; L28-V58 HydrophobicContact CD1-CG1 3.6Å; L28-V58 HydrophobicContact CG-CG1 4.38Å; L28-A102 HydrophobicContact CD2-CB 3.83Å
29Q80.5Confident82.7Confident106 Ų10656.3 Ų56.350%0.49528%0.283SS..THydrogen-bonded Turntrans-69.2124.6179.8-175.5163.645.500109.7Q25 Q31 V58Q25-Q29 WeakPolarHBondContact O-CA 3.13Å; Q25-Q29 WeakPolarHBondContact O-CB 3.43Å; Q25-Q29 PolarHBondContact O-N 2.76Å; Q29-Q31 PolarHBondContact O-N 2.93Å; Q29-V58 HydrophobicContact CB-CG2 4.17Å
30G73.7Confident83.1Confident71 Ų7157.7 Ų57.773%0.73229%0.29SS*.THydrogen-bonded Turntrans78.41.2-173.100000114.3L28L28-G30 PolarHBondContact O-N 2.75Å
31Q78.1Confident83.1Confident69 Ų6954.8 Ų54.832%0.32227%0.269SS..SBendtrans-82.8162.7170.2-59.3-60.5-81.400111.4R27 L28 Q29 M35 S53R27-Q31 WeakPolarHBondContact O-CG 3.45Å; L28-Q31 WeakPolarHBondContact O-CB 3.13Å; L28-Q31 PolarHBondContact O-N 3.43Å; Q29-Q31 PolarHBondContact O-N 2.93Å; Q31-M35 HydrophobicContact CB-CB 4.08Å; Q31-M35 HydrophobicContact CB-CG 4.1Å; Q31-S53 PolarHBondContact O-OG 3.02Å; Q31-S53 VanDerWaalsContact O-OG 3.09Å
32R76.3Confident82.8Confident135 Ų13552 Ų5251%0.50927%0.274SS..PPolyproline II helixtrans-50.8139.5175.7-164.7-171-62-100.4-2.7111G34 M35 E100R32-G34 PolarHBondContact O-N 3.39Å; R32-M35 WeakPolarHBondContact O-CB 3.45Å; R32-M35 PolarHBondContact O-N 2.87Å; R32-M35 VanDerWaalsContact O-N 3.11Å; R32-E100 WeakPolarHBondContact CD-OE1 3.36Å; R32-E100 IonicContact NE-OE1 3.8Å; R32-E100 PolarHBondContact NE-OE1 3.1Å
33H82.4Confident82.5Confident87 Ų8750 Ų5040%0.40327%0.272SS..THydrogen-bonded Turntrans-53.9138.1171.457.665.9000110.1M35 I99H33-M35 VanDerWaalsContact C-N 3.29Å; H33-I99 WeakPolarHBondContact O-CD1 3.37Å
34G80.1Confident82Confident0 Ų048.4 Ų48.40%027%0.27CS..THydrogen-bonded Turntrans83.5-0.4-177.200000114.9R32 S53 T96 T97 I99 E100R32-G34 PolarHBondContact O-N 3.39Å; G34-S53 PolarHBondContact N-O 2.81Å; G34-T96 WeakPolarHBondContact CA-OG1 3.45Å; G34-T96 PolarHBondContact N-OG1 3.08Å; G34-T97 VanDerWaalsContact CA-O 3.23Å; G34-T97 WeakPolarHBondContact CA-O 3.48Å; G34-I99 PolarHBondContact O-N 3.11Å; G34-E100 PolarHBondContact O-N 3.13Å
35M85.9Confident81.5Confident11 Ų1154.6 Ų54.65%0.05431%0.31CS..EExtended strand (participates in β ladder)trans-66.3134.1165.8-171.87273.300109.4L28 Q31 R32 H33 V52 S53 E100 P101 A102L28-M35 HydrophobicContact CD2-CB 3.93Å; L28-M35 HydrophobicContact CD2-CG 3.51Å; L28-M35 WeakPolarHBondContact CD2-O 3.15Å; Q31-M35 HydrophobicContact CB-CB 4.08Å; Q31-M35 HydrophobicContact CB-CG 4.1Å; R32-M35 WeakPolarHBondContact O-CB 3.45Å; R32-M35 PolarHBondContact O-N 2.87Å; R32-M35 VanDerWaalsContact O-N 3.11Å; H33-M35 VanDerWaalsContact C-N 3.29Å; M35-V52 CarbonylContact O-C 3.55Å; M35-V52 WeakPolarHBondContact O-CA 3.44Å; M35-S53 PolarHBondContact O-N 2.79Å; M35-E100 CarbonylContact C-O 3.57Å; M35-E100 VanDerWaalsContact CA-O 3.27Å; M35-E100 WeakPolarHBondContact CA-O 3.33Å; M35-E100 VanDerWaalsContact CE-CD 3.45Å; M35-E100 HydrophobicContact CE-CG 3.75Å; M35-E100 WeakPolarHBondContact CE-OE2 3.04Å; M35-E100 HydrophobicContact SD-CB 4.31Å; M35-E100 HydrophobicContact SD-CG 3.64Å; M35-E100 VanDerWaalsContact SD-O 3.41Å; M35-P101 VanDerWaalsContact SD-O 3.35Å; M35-A102 HydrophobicContact CG-CB 4.02Å; M35-A102 WeakPolarHBondContact SD-CA 3.39Å; M35-A102 HydrophobicContact SD-CB 4.31Å; M35-A102 PolarHBondContact SD-N 2.87Å
36F90Very high81.1Confident0 Ų053.1 Ų53.10%031%0.314CS..EExtended strand (participates in β ladder)trans-142.6160.7-177.873.1-83.6000113.4F6 W14 L50 S51 V52 L85 L98 E100 P101 A102F6-F36 AromaticContact CD1-CE1 3.66Å; F6-F36 HydrophobicContact CD1-CE1 3.66Å; F6-F36 AromaticContact CD1-CZ 3.94Å; F6-F36 HydrophobicContact CD1-CZ 3.94Å; F6-F36 HydrophobicContact CD2-CE1 4.36Å; F6-F36 AromaticContact CD2-CZ 3.78Å; F6-F36 HydrophobicContact CD2-CZ 3.78Å; F6-F36 HydrophobicContact CE1-CD1 4.46Å; F6-F36 AromaticContact CE1-CE1 3.31Å; F6-F36 HydrophobicContact CE1-CE1 3.31Å; F6-F36 AromaticContact CE1-CZ 3.61Å; F6-F36 HydrophobicContact CE1-CZ 3.61Å; F6-F36 HydrophobicContact CE2-CE1 4.09Å; F6-F36 HydrophobicContact CE2-CE2 4.43Å; F6-F36 AromaticContact CE2-CZ 3.47Å; F6-F36 HydrophobicContact CE2-CZ 3.47Å; F6-F36 VanDerWaalsContact CE2-CZ 3.47Å; F6-F36 HydrophobicContact CG-CE1 4.17Å; F6-F36 HydrophobicContact CG-CZ 4.01Å; F6-F36 AromaticContact CZ-CE1 3.55Å; F6-F36 HydrophobicContact CZ-CE1 3.55Å; F6-F36 HydrophobicContact CZ-CE2 4.43Å; F6-F36 AromaticContact CZ-CZ 3.36Å; F6-F36 HydrophobicContact CZ-CZ 3.36Å; W14-F36 HydrophobicContact CB-CE2 3.63Å; W14-F36 HydrophobicContact CB-CZ 4.14Å; W14-F36 HydrophobicContact CG-CE2 4.41Å; F36-L50 HydrophobicContact CB-CD1 4.05Å; F36-L50 HydrophobicContact CD2-CD1 3.61Å; F36-L50 HydrophobicContact CG-CD1 4.2Å; F36-S51 CarbonylContact C-O 3.54Å; F36-S51 WeakPolarHBondContact CA-O 3.42Å; F36-S51 WeakPolarHBondContact CB-O 3.11Å; F36-V52 HydrophobicContact CB-CB 4.07Å; F36-V52 HydrophobicContact CB-CG2 4.14Å; F36-L85 HydrophobicContact CE2-CD2 3.47Å; F36-L85 VanDerWaalsContact CE2-CD2 3.47Å; F36-L85 HydrophobicContact CE2-CG 4.05Å; F36-L85 HydrophobicContact CZ-CD2 3.92Å; F36-L98 HydrophobicContact CB-CD2 3.61Å; F36-L98 HydrophobicContact CD1-CB 3.75Å; F36-L98 HydrophobicContact CD1-CD2 3.83Å; F36-L98 HydrophobicContact CD1-CG 4.23Å; F36-L98 HydrophobicContact CD2-CD1 4.41Å; F36-L98 HydrophobicContact CD2-CD2 4.2Å; F36-L98 HydrophobicContact CE1-CB 3.87Å; F36-L98 HydrophobicContact CE2-CD1 4.49Å; F36-L98 HydrophobicContact CG-CB 4.35Å; F36-L98 HydrophobicContact CG-CD1 4.47Å; F36-L98 HydrophobicContact CG-CD2 3.6Å; F36-L98 HydrophobicContact CG-CG 4.34Å; F36-E100 WeakPolarHBondContact CD1-O 3.44Å; F36-E100 WeakPolarHBondContact CE1-O 3.39Å; F36-E100 PolarHBondContact N-O 3.2Å; F36-P101 HydrophobicContact CE1-CB 4.46Å; F36-P101 HydrophobicContact CZ-CB 4.17Å; F36-P101 CarbonylContact O-C 3.58Å; F36-P101 WeakPolarHBondContact O-CA 3.37Å; F36-A102 PolarHBondContact O-N 2.91Å
37L89.2Confident81.3Confident1 Ų149.4 Ų49.41%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-147.2149.8171.165.189.9000110.1M16 A24 R27 L28 R39 S51 A102M16-L37 HydrophobicContact CB-CD1 4.47Å; M16-L37 HydrophobicContact CE-CB 4.45Å; M16-L37 HydrophobicContact CG-CB 3.78Å; M16-L37 HydrophobicContact CG-CD1 4.08Å; M16-L37 HydrophobicContact CG-CD2 4.39Å; M16-L37 HydrophobicContact CG-CG 4.29Å; A24-L37 HydrophobicContact CB-CD1 3.87Å; A24-L37 HydrophobicContact CB-CD2 4.23Å; R27-L37 HydrophobicContact CB-CD2 4.24Å; L28-L37 HydrophobicContact CD1-CD2 3.78Å; L28-L37 HydrophobicContact CD1-CG 3.91Å; L28-L37 HydrophobicContact CD2-CD2 4.29Å; L28-L37 HydrophobicContact CG-CD2 3.76Å; L28-L37 HydrophobicContact CG-CG 4.39Å; L37-R39 HydrophobicContact CD1-CB 4.03Å; L37-R39 HydrophobicContact CD1-CG 4.39Å; L37-S51 PolarHBondContact N-O 3.19Å; L37-S51 PolarHBondContact O-N 2.75Å; L37-A102 HydrophobicContact CB-CB 3.95Å; L37-A102 HydrophobicContact CD2-CB 3.82Å; L37-A102 HydrophobicContact CG-CB 4.46Å
38V89.8Confident81.8Confident0 Ų049.3 Ų49.30%029%0.29CS..EExtended strand (participates in β ladder)trans-105127.6172.3-1750000108.6W14 Y15 M16 Y48 V49 L50 I63 L85W14-V38 HydrophobicContact CD2-CG2 4.39Å; W14-V38 HydrophobicContact CE3-CB 3.59Å; W14-V38 HydrophobicContact CE3-CG1 4.36Å; W14-V38 HydrophobicContact CE3-CG2 3.4Å; W14-V38 HydrophobicContact CZ3-CB 3.82Å; W14-V38 HydrophobicContact CZ3-CG1 4.08Å; W14-V38 HydrophobicContact CZ3-CG2 3.79Å; W14-V38 PolarHBondContact O-N 3.25Å; Y15-V38 CarbonylContact C-O 3.58Å; Y15-V38 WeakPolarHBondContact CA-O 3.27Å; Y15-V38 HydrophobicContact CD2-CB 4.38Å; Y15-V38 HydrophobicContact CD2-CG1 4.2Å; M16-V38 PolarHBondContact N-O 2.84Å; V38-Y48 HydrophobicContact CG1-CD1 4.2Å; V38-Y48 HydrophobicContact CG1-CG 4.5Å; V38-V49 WeakPolarHBondContact CA-O 3.32Å; V38-L50 HydrophobicContact CG2-CD1 3.92Å; V38-I63 HydrophobicContact CG1-CD1 4.46Å; V38-L85 HydrophobicContact CG2-CD1 4.19Å
39R87.1Confident82.1Confident17 Ų1749.6 Ų49.66%0.06429%0.291CS..EExtended strand (participates in β ladder)trans-123.5163.3177.367.5-169.3-174.375.14.3110.7G17 V19 L37 Y48 V49 S51G17-R39 CarbonylContact O-C 3.54Å; G17-R39 WeakPolarHBondContact O-CA 3.23Å; V19-R39 HydrophobicContact CB-CB 3.99Å; V19-R39 WeakPolarHBondContact O-CD 3.49Å; V19-R39 PolarHBondContact O-NH1 2.77Å; L37-R39 HydrophobicContact CD1-CB 4.03Å; L37-R39 HydrophobicContact CD1-CG 4.39Å; R39-Y48 CarbonylContact O-C 3.47Å; R39-Y48 WeakPolarHBondContact O-CA 3.49Å; R39-V49 HydrophobicContact CG-CB 3.9Å; R39-V49 PolarHBondContact N-O 2.77Å; R39-V49 PolarHBondContact O-N 2.97Å; R39-S51 PolarHBondContact NE-OG 3.06Å
40D85.7Confident82.6Confident44 Ų4444.5 Ų44.524%0.23527%0.268CS..EExtended strand (participates in β ladder)trans-70.7144172.2-144.4-102.2000111.1G17 P18 S42G17-D40 PolarHBondContact O-N 2.55Å; P18-D40 HydrophobicContact CB-CB 4.42Å; D40-S42 PolarHBondContact O-N 2.87Å
41S83.5Confident83.3Confident3 Ų341.1 Ų41.12%0.02123%0.233CC..  trans-80.4111178.4-171.30000110.8T43 C44 D47S41-T43 PolarHBondContact O-N 2.79Å; S41-T43 PolarHBondContact OG-OG1 2.79Å; S41-T43 VanDerWaalsContact OG-OG1 3.14Å; S41-C44 CarbonylContact O-C 3.52Å; S41-C44 PolarHBondContact O-N 2.96Å; S41-D47 WeakPolarHBondContact CB-O 3.18Å; S41-D47 PolarHBondContact N-O 2.77Å
42S75.6Confident83.9Confident97 Ų9737.9 Ų37.968%0.67822%0.218SC*.SBendtrans-66-19.9176.5-45.20000113.5D40D40-S42 PolarHBondContact O-N 2.87Å
43T75.5Confident84.4Confident113 Ų11331.6 Ų31.669%0.69319%0.194SC*.SBendtrans-88.6-29.6-178.448.70000112.9S41S41-T43 PolarHBondContact O-N 2.79Å; S41-T43 PolarHBondContact OG-OG1 2.79Å; S41-T43 VanDerWaalsContact OG-OG1 3.14Å
44C73Confident84.5Confident51 Ų5127.5 Ų27.535%0.34518%0.175SC..SBendtrans-136.7106.5-176.4-58.30000109.7S41 G46 D47S41-C44 CarbonylContact O-C 3.52Å; S41-C44 PolarHBondContact O-N 2.96Å; C44-G46 PolarHBondContact O-N 2.82Å; C44-D47 HydrophobicContact CB-CB 4.04Å; C44-D47 WeakPolarHBondContact CB-OD2 3.41Å; C44-D47 PolarHBondContact O-N 3.05Å; C44-D47 VanDerWaalsContact O-N 3.13Å
45P73.6Confident84Confident130 Ų13033 Ų3384%0.84421%0.205SC*.THydrogen-bonded Turntrans-65.2121.7-178.126.5-33000110.2
46G76.3Confident83.4Confident40 Ų4037.7 Ų37.741%0.41224%0.239SC..THydrogen-bonded Turntrans105-12.9-177.100000114.5C44 S65C44-G46 PolarHBondContact O-N 2.82Å; G46-S65 VanDerWaalsContact O-CB 3.25Å; G46-S65 WeakPolarHBondContact O-CB 3.17Å
47D86.9Confident83.1Confident25 Ų2543.8 Ų43.813%0.13426%0.262CS..  trans-90.9156.3171.6-63.5-47.7000111.3S41 C44 N64 S65S41-D47 WeakPolarHBondContact CB-O 3.18Å; S41-D47 PolarHBondContact N-O 2.77Å; C44-D47 HydrophobicContact CB-CB 4.04Å; C44-D47 WeakPolarHBondContact CB-OD2 3.41Å; C44-D47 PolarHBondContact O-N 3.05Å; C44-D47 VanDerWaalsContact O-N 3.13Å; D47-N64 WeakPolarHBondContact OD1-CA 3.23Å; D47-S65 PolarHBondContact OD1-N 3.36Å
48Y89.1Confident82.9Confident36 Ų3644.6 Ų44.614%0.14127%0.267CS..EExtended strand (participates in β ladder)trans-112.6159.3179-61.1-92.2000109.9R11 Y15 V38 R39 I63 F71 L81R11-Y48 PolarHBondContact NH2-OH 2.84Å; Y15-Y48 HydrophobicContact CD2-CD1 4.38Å; Y15-Y48 HydrophobicContact CD2-CE1 4.38Å; Y15-Y48 AromaticContact CE2-CD1 3.74Å; Y15-Y48 HydrophobicContact CE2-CD1 3.74Å; Y15-Y48 AromaticContact CE2-CE1 3.57Å; Y15-Y48 HydrophobicContact CE2-CE1 3.57Å; V38-Y48 HydrophobicContact CG1-CD1 4.2Å; V38-Y48 HydrophobicContact CG1-CG 4.5Å; R39-Y48 CarbonylContact O-C 3.47Å; R39-Y48 WeakPolarHBondContact O-CA 3.49Å; Y48-I63 PolarHBondContact N-O 3.1Å; Y48-I63 WeakPolarHBondContact O-CA 3.43Å; Y48-I63 WeakPolarHBondContact O-CB 3.45Å; Y48-I63 PolarHBondContact O-N 3.09Å; Y48-F71 HydrophobicContact CD2-CD1 4.2Å; Y48-F71 AromaticContact CD2-CE1 3.89Å; Y48-F71 HydrophobicContact CD2-CE1 3.89Å; Y48-F71 HydrophobicContact CE2-CD1 4.45Å; Y48-F71 AromaticContact CE2-CE1 3.69Å; Y48-F71 HydrophobicContact CE2-CE1 3.69Å; Y48-L81 HydrophobicContact CD1-CD1 4.08Å; Y48-L81 HydrophobicContact CD2-CD1 4.12Å; Y48-L81 HydrophobicContact CE1-CD1 4.09Å; Y48-L81 HydrophobicContact CE2-CD1 4.16Å; Y48-L81 HydrophobicContact CG-CD1 4.09Å; Y48-L81 HydrophobicContact CG-CD2 4.38Å
49V91.2Very high82.8Confident5 Ų545.3 Ų45.33%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-129.5121.3174-176.70000109V38 R39 H60 Y61V38-V49 WeakPolarHBondContact CA-O 3.32Å; R39-V49 HydrophobicContact CG-CB 3.9Å; R39-V49 PolarHBondContact N-O 2.77Å; R39-V49 PolarHBondContact O-N 2.97Å; V49-H60 HydrophobicContact CG1-CB 3.98Å; V49-Y61 CarbonylContact C-O 3.59Å; V49-Y61 WeakPolarHBondContact CA-O 3.45Å
50L90.9Very high82.9Confident0 Ų046.7 Ų46.70%028%0.279CS..EExtended strand (participates in β ladder)trans-87.5112.3171.3173.763.1000108.8F36 V38 H60 Y61 I63 I73 L84 L93 L98F36-L50 HydrophobicContact CB-CD1 4.05Å; F36-L50 HydrophobicContact CD2-CD1 3.61Å; F36-L50 HydrophobicContact CG-CD1 4.2Å; V38-L50 HydrophobicContact CG2-CD1 3.92Å; L50-H60 CarbonylContact O-C 3.51Å; L50-H60 WeakPolarHBondContact O-CA 3.29Å; L50-Y61 PolarHBondContact N-O 2.83Å; L50-Y61 PolarHBondContact O-N 2.73Å; L50-I63 HydrophobicContact CB-CD1 3.72Å; L50-I63 HydrophobicContact CB-CG1 4.31Å; L50-I73 HydrophobicContact CB-CD1 4.47Å; L50-I73 HydrophobicContact CD2-CD1 3.94Å; L50-L84 HydrophobicContact CD2-CD2 4.09Å; L50-L93 HydrophobicContact CD2-CD2 3.76Å; L50-L98 HydrophobicContact CD1-CD2 4.34Å; L50-L98 HydrophobicContact CD2-CD1 4.26Å; L50-L98 HydrophobicContact CD2-CD2 4.27Å
51S89.8Confident83.1Confident0 Ų046.7 Ų46.70%028%0.276CS..EExtended strand (participates in β ladder)trans-99.8130.8174.1-49.90000108.5L28 F36 L37 R39 S59 H60L28-S51 VanDerWaalsContact CD1-C 3.42Å; L28-S51 VanDerWaalsContact CD1-CB 3.48Å; L28-S51 WeakPolarHBondContact CD1-O 3.15Å; F36-S51 CarbonylContact C-O 3.54Å; F36-S51 WeakPolarHBondContact CA-O 3.42Å; F36-S51 WeakPolarHBondContact CB-O 3.11Å; L37-S51 PolarHBondContact N-O 3.19Å; L37-S51 PolarHBondContact O-N 2.75Å; R39-S51 PolarHBondContact NE-OG 3.06Å; S51-S59 CarbonylContact C-O 3.57Å; S51-S59 VanDerWaalsContact CA-O 3.3Å; S51-S59 WeakPolarHBondContact CA-O 3.29Å; S51-H60 WeakPolarHBondContact CB-ND1 3.44Å; S51-H60 PolarHBondContact OG-ND1 3.05Å
52V89.3Confident83.3Confident0 Ų050.7 Ų50.70%030%0.296CS..EExtended strand (participates in β ladder)trans-132.8137.2-178.360.30000110.3M35 F36 V58 S59 Y61 T96 L98M35-V52 CarbonylContact O-C 3.55Å; M35-V52 WeakPolarHBondContact O-CA 3.44Å; F36-V52 HydrophobicContact CB-CB 4.07Å; F36-V52 HydrophobicContact CB-CG2 4.14Å; V52-V58 CarbonylContact O-C 3.52Å; V52-V58 WeakPolarHBondContact O-CA 3.46Å; V52-S59 PolarHBondContact N-O 3.43Å; V52-S59 PolarHBondContact O-N 3.16Å; V52-Y61 HydrophobicContact CG1-CD2 3.98Å; V52-Y61 HydrophobicContact CG1-CE2 3.47Å; V52-Y61 VanDerWaalsContact CG1-CE2 3.47Å; V52-T96 HydrophobicContact CG2-CG2 3.62Å; V52-L98 HydrophobicContact CB-CD2 4.47Å; V52-L98 HydrophobicContact CG2-CD2 4.15Å
53S87.5Confident84Confident3 Ų346 Ų462%0.02126%0.264CS..EExtended strand (participates in β ladder)trans-79.4120.9172.5-176.60000109.6L28 Q31 G34 M35L28-S53 WeakPolarHBondContact O-CB 3.3Å; L28-S53 PolarHBondContact O-OG 2.86Å; L28-S53 VanDerWaalsContact O-OG 3.1Å; Q31-S53 PolarHBondContact O-OG 3.02Å; Q31-S53 VanDerWaalsContact O-OG 3.09Å; G34-S53 PolarHBondContact N-O 2.81Å; M35-S53 PolarHBondContact O-N 2.79Å
54E83.8Confident84.5Confident1 Ų143.7 Ų43.71%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-147.3131.2-177-177.6-173.190.600110.2S56 R57 D94 T95 T96E54-S56 VanDerWaalsContact C-N 3.26Å; E54-S56 PolarHBondContact O-N 3.45Å; E54-S56 VanDerWaalsContact O-N 3.12Å; E54-R57 CarbonylContact C-O 3.58Å; E54-R57 PolarHBondContact N-O 3.35Å; E54-R57 CarbonylContact O-C 3.5Å; E54-R57 WeakPolarHBondContact O-CA 3.16Å; E54-R57 WeakPolarHBondContact O-CG 3.22Å; E54-R57 PolarHBondContact O-N 3.21Å; E54-R57 IonicContact OE1-CZ 3.57Å; E54-R57 IonicContact OE1-NE 3.32Å; E54-R57 IonicContact OE1-NH2 2.59Å; E54-R57 PolarHBondContact OE1-NH2 3.32Å; E54-D94 WeakPolarHBondContact OE2-CB 3.39Å; E54-T95 WeakPolarHBondContact CG-OG1 3.46Å; E54-T95 PolarHBondContact OE1-OG1 3.26Å; E54-T95 WeakPolarHBondContact OE2-CA 3.48Å; E54-T95 PolarHBondContact OE2-N 3.44Å; E54-T95 PolarHBondContact OE2-OG1 3.28Å; E54-T96 HydrophobicContact CB-CG2 3.77Å; E54-T96 HydrophobicContact CG-CG2 3.83Å; E54-T96 PolarHBondContact OE2-N 2.71Å
55N70.5Confident85.1Confident115 Ų11543.9 Ų43.962%0.61525%0.249SC*.THydrogen-bonded Turntrans48.242.6173.1-73.8-64.9000114.6R57 T95N55-R57 PolarHBondContact O-N 2.59Å; N55-T95 PolarHBondContact ND2-OG1 2.8Å
56S73Confident85.6Confident111 Ų11140.1 Ų40.178%0.77622%0.222SC*.THydrogen-bonded Turntrans65.87.6-177.1-43.50000115.7E54E54-S56 VanDerWaalsContact C-N 3.26Å; E54-S56 PolarHBondContact O-N 3.45Å; E54-S56 VanDerWaalsContact O-N 3.12Å
57R83.2Confident85.5Confident127 Ų12744.2 Ų44.248%0.47924%0.241SC..EExtended strand (participates in β ladder)trans-117.6166.1171.960.4173.7-171174.96.5110.1E54 N55 D94E54-R57 CarbonylContact C-O 3.58Å; E54-R57 PolarHBondContact N-O 3.35Å; E54-R57 CarbonylContact O-C 3.5Å; E54-R57 WeakPolarHBondContact O-CA 3.16Å; E54-R57 WeakPolarHBondContact O-CG 3.22Å; E54-R57 PolarHBondContact O-N 3.21Å; E54-R57 IonicContact OE1-CZ 3.57Å; E54-R57 IonicContact OE1-NE 3.32Å; E54-R57 IonicContact OE1-NH2 2.59Å; E54-R57 PolarHBondContact OE1-NH2 3.32Å; N55-R57 PolarHBondContact O-N 2.59Å; R57-D94 IonicContact NH2-OD1 3.89Å
58V86.3Confident85.2Confident19 Ų1949.3 Ų49.312%0.11527%0.268CS..EExtended strand (participates in β ladder)trans-110.7115173.8-176.60000107.9Q25 L28 Q29 V52Q25-V58 HydrophobicContact CG-CB 4.17Å; Q25-V58 HydrophobicContact CG-CG2 4.05Å; L28-V58 HydrophobicContact CB-CB 4.34Å; L28-V58 HydrophobicContact CB-CG1 3.84Å; L28-V58 HydrophobicContact CB-CG2 3.52Å; L28-V58 HydrophobicContact CD1-CG1 3.6Å; L28-V58 HydrophobicContact CG-CG1 4.38Å; Q29-V58 HydrophobicContact CB-CG2 4.17Å; V52-V58 CarbonylContact O-C 3.52Å; V52-V58 WeakPolarHBondContact O-CA 3.46Å
59S87.9Confident84.6Confident15 Ų1557.8 Ų57.811%0.10530%0.3CS..EExtended strand (participates in β ladder)trans-88.4139.8174.7-65.90000109.2S51 V52S51-S59 CarbonylContact C-O 3.57Å; S51-S59 VanDerWaalsContact CA-O 3.3Å; S51-S59 WeakPolarHBondContact CA-O 3.29Å; V52-S59 PolarHBondContact N-O 3.43Å; V52-S59 PolarHBondContact O-N 3.16Å
60H88.4Confident84.3Confident46 Ų4662.3 Ų62.321%0.21332%0.316CS..EExtended strand (participates in β ladder)trans-122.6119.6179.5-55.5-82.6000109.8V49 L50 S51V49-H60 HydrophobicContact CG1-CB 3.98Å; L50-H60 CarbonylContact O-C 3.51Å; L50-H60 WeakPolarHBondContact O-CA 3.29Å; S51-H60 WeakPolarHBondContact CB-ND1 3.44Å; S51-H60 PolarHBondContact OG-ND1 3.05Å
61Y88.9Confident84.2Confident43 Ų4363.6 Ų63.617%0.16932%0.322CS..EExtended strand (participates in β ladder)trans-110.3125.8-179.1-60.8-88.8000110.2V49 L50 V52 I73 L93 D94V49-Y61 CarbonylContact C-O 3.59Å; V49-Y61 WeakPolarHBondContact CA-O 3.45Å; L50-Y61 PolarHBondContact N-O 2.83Å; L50-Y61 PolarHBondContact O-N 2.73Å; V52-Y61 HydrophobicContact CG1-CD2 3.98Å; V52-Y61 HydrophobicContact CG1-CE2 3.47Å; V52-Y61 VanDerWaalsContact CG1-CE2 3.47Å; Y61-I73 HydrophobicContact CG-CD1 4.36Å; Y61-L93 HydrophobicContact CD1-CD2 4.04Å; Y61-L93 HydrophobicContact CD2-CD2 3.3Å; Y61-L93 HydrophobicContact CE1-CB 4.2Å; Y61-L93 HydrophobicContact CE1-CD2 4.14Å; Y61-L93 HydrophobicContact CE2-CB 3.97Å; Y61-L93 HydrophobicContact CE2-CD2 3.42Å; Y61-L93 VanDerWaalsContact CE2-CD2 3.42Å; Y61-L93 HydrophobicContact CE2-CG 4.32Å; Y61-L93 HydrophobicContact CG-CD2 3.64Å; Y61-D94 VanDerWaalsContact OH-CB 3.31Å; Y61-D94 WeakPolarHBondContact OH-CB 3.39Å; Y61-D94 PolarHBondContact OH-OD2 3.1Å
62I88.4Confident84.1Confident87 Ų8767.2 Ų67.245%0.44634%0.338SS..EExtended strand (participates in β ladder)trans-80.1128.2179.6-58.3176.8000108.9
63I89.9Confident84Confident0 Ų067.3 Ų67.30%034%0.338CS..EExtended strand (participates in β ladder)trans-109.8104.6175.5-55164.8000107.8V38 Y48 L50 F71 K72 I73 L81 L84V38-I63 HydrophobicContact CG1-CD1 4.46Å; Y48-I63 PolarHBondContact N-O 3.1Å; Y48-I63 WeakPolarHBondContact O-CA 3.43Å; Y48-I63 WeakPolarHBondContact O-CB 3.45Å; Y48-I63 PolarHBondContact O-N 3.09Å; L50-I63 HydrophobicContact CB-CD1 3.72Å; L50-I63 HydrophobicContact CB-CG1 4.31Å; I63-F71 HydrophobicContact CG2-CB 3.76Å; I63-F71 HydrophobicContact CG2-CD1 4.06Å; I63-F71 HydrophobicContact CG2-CG 4.36Å; I63-K72 CarbonylContact C-O 3.59Å; I63-K72 WeakPolarHBondContact CA-O 3.32Å; I63-I73 HydrophobicContact CG1-CB 4.14Å; I63-I73 HydrophobicContact CG1-CD1 4.01Å; I63-I73 HydrophobicContact CG1-CG1 4.25Å; I63-L81 HydrophobicContact CD1-CD2 3.84Å; I63-L81 HydrophobicContact CG2-CD2 3.99Å; I63-L84 HydrophobicContact CD1-CD1 4.16Å; I63-L84 HydrophobicContact CD1-CD2 4.43Å; I63-L84 HydrophobicContact CG1-CD1 4.08Å; I63-L84 HydrophobicContact CG2-CD1 3.92Å
64N86.2Confident83.8Confident64 Ų6469.5 Ų69.534%0.34236%0.362SS..EExtended strand (participates in β ladder)trans-80.1131179.9-54.6-88.5000110.4D47 F71 K72D47-N64 WeakPolarHBondContact OD1-CA 3.23Å; N64-F71 CarbonylContact O-C 3.59Å; N64-F71 VanDerWaalsContact O-CA 3.31Å; N64-F71 WeakPolarHBondContact O-CA 3.3Å; N64-K72 HydrophobicContact CB-CB 4.41Å; N64-K72 PolarHBondContact N-O 2.77Å; N64-K72 PolarHBondContact ND2-O 3.26Å; N64-K72 PolarHBondContact O-N 3.2Å
65S85.3Confident83.7Confident54 Ų5476.4 Ų76.438%0.37840%0.399SS..EExtended strand (participates in β ladder)trans-89.9109.6174.8-176.60000110.3G46 D47 R70G46-S65 VanDerWaalsContact O-CB 3.25Å; G46-S65 WeakPolarHBondContact O-CB 3.17Å; D47-S65 PolarHBondContact OD1-N 3.36Å; S65-R70 CarbonylContact C-O 3.51Å
66L84Confident84.4Confident52 Ų5275 Ų7527%0.27239%0.388SS..EExtended strand (participates in β ladder)trans-78.4152.2177.3-65.2172.4000111.4N68 R69 R70 K72 E77L66-N68 PolarHBondContact O-N 3.27Å; L66-R69 PolarHBondContact O-N 3Å; L66-R69 VanDerWaalsContact O-N 3.14Å; L66-R70 HydrophobicContact CB-CB 4.04Å; L66-R70 HydrophobicContact CD1-CB 4Å; L66-R70 PolarHBondContact N-O 3.1Å; L66-K72 HydrophobicContact CD1-CB 4.25Å; L66-K72 HydrophobicContact CG-CB 4.49Å; L66-E77 WeakPolarHBondContact CD1-OE1 2.92Å
67P75.7Confident85.1Confident125 Ų12575.4 Ų75.481%0.81238%0.378SS*.THydrogen-bonded Turntrans-60.5-22.7-176.522.6-33.9000114.1R69P67-R69 PolarHBondContact O-N 2.86Å
68N79Confident85.3Confident133 Ų13370.3 Ų70.371%0.71136%0.359SS*.THydrogen-bonded Turntrans-82.122.5177.6-66.9-36.4000113.8L66 R70L66-N68 PolarHBondContact O-N 3.27Å; N68-R70 PolarHBondContact O-N 2.94Å
69R76.5Confident85.2Confident214 Ų21474 Ų7481%0.80838%0.378SS*.THydrogen-bonded Turntrans58.324.9-171.9-58.2-178.9173.9-158.6-1.9114L66 P67 F71L66-R69 PolarHBondContact O-N 3Å; L66-R69 VanDerWaalsContact O-N 3.14Å; P67-R69 PolarHBondContact O-N 2.86Å; R69-F71 WeakPolarHBondContact O-CE2 3.01Å
70R86.1Confident85.1Confident100 Ų10077.8 Ų77.838%0.37739%0.394SS..EExtended strand (participates in β ladder)trans-98.9158.4177.9-76.6-179.7155.5-170.4-8.7110.8S65 L66 N68 F78 D79S65-R70 CarbonylContact C-O 3.51Å; L66-R70 HydrophobicContact CB-CB 4.04Å; L66-R70 HydrophobicContact CD1-CB 4Å; L66-R70 PolarHBondContact N-O 3.1Å; N68-R70 PolarHBondContact O-N 2.94Å; R70-F78 CarbonylContact C-O 3.53Å; R70-F78 WeakPolarHBondContact CA-O 3.25Å; R70-D79 IonicContact CZ-OD1 3.6Å; R70-D79 IonicContact NE-OD1 3.04Å; R70-D79 PolarHBondContact NE-OD1 3.41Å; R70-D79 IonicContact NH2-OD1 3.22Å; R70-D79 PolarHBondContact NH2-OD1 2.67Å; R70-D79 IonicContact NH2-OD2 3.81Å
71F87.8Confident85Confident27 Ų2776 Ų7612%0.11839%0.386CS..EExtended strand (participates in β ladder)trans-125.1127.2-178-61.9-88000109.5Y48 I63 N64 R69 E77 F78 H80 L81Y48-F71 HydrophobicContact CD2-CD1 4.2Å; Y48-F71 AromaticContact CD2-CE1 3.89Å; Y48-F71 HydrophobicContact CD2-CE1 3.89Å; Y48-F71 HydrophobicContact CE2-CD1 4.45Å; Y48-F71 AromaticContact CE2-CE1 3.69Å; Y48-F71 HydrophobicContact CE2-CE1 3.69Å; I63-F71 HydrophobicContact CG2-CB 3.76Å; I63-F71 HydrophobicContact CG2-CD1 4.06Å; I63-F71 HydrophobicContact CG2-CG 4.36Å; N64-F71 CarbonylContact O-C 3.59Å; N64-F71 VanDerWaalsContact O-CA 3.31Å; N64-F71 WeakPolarHBondContact O-CA 3.3Å; R69-F71 WeakPolarHBondContact O-CE2 3.01Å; F71-E77 CarbonylContact O-C 3.41Å; F71-F78 PolarHBondContact N-O 2.76Å; F71-F78 PolarHBondContact O-N 2.89Å; F71-H80 VanDerWaalsContact CD2-CA 3.42Å; F71-H80 HydrophobicContact CE2-CB 4.39Å; F71-L81 HydrophobicContact CD1-CD2 4.08Å; F71-L81 HydrophobicContact CD1-CG 3.93Å; F71-L81 HydrophobicContact CD2-CG 4.49Å; F71-L81 HydrophobicContact CE1-CD1 4.2Å; F71-L81 HydrophobicContact CE1-CD2 4.48Å; F71-L81 HydrophobicContact CE1-CG 3.93Å; F71-L81 HydrophobicContact CE2-CG 4.49Å; F71-L81 HydrophobicContact CG-CD2 4.41Å; F71-L81 HydrophobicContact CG-CG 4.2Å; F71-L81 HydrophobicContact CZ-CD1 4.49Å; F71-L81 HydrophobicContact CZ-CG 4.2Å
72K87.6Confident84.8Confident75 Ų7575.6 Ų75.633%0.32639%0.388SS..EExtended strand (participates in β ladder)trans-115.6122.4-179.2179.4-179.2172.3-179.60111.1I63 N64 L66 G74 Q76 E77I63-K72 CarbonylContact C-O 3.59Å; I63-K72 WeakPolarHBondContact CA-O 3.32Å; N64-K72 HydrophobicContact CB-CB 4.41Å; N64-K72 PolarHBondContact N-O 2.77Å; N64-K72 PolarHBondContact ND2-O 3.26Å; N64-K72 PolarHBondContact O-N 3.2Å; L66-K72 HydrophobicContact CD1-CB 4.25Å; L66-K72 HydrophobicContact CG-CB 4.49Å; K72-G74 WeakPolarHBondContact CE-O 3.24Å; K72-Q76 CarbonylContact C-O 3.54Å; K72-Q76 VanDerWaalsContact CA-O 3.28Å; K72-Q76 WeakPolarHBondContact CA-O 3.46Å; K72-E77 HydrophobicContact CB-CG 4.21Å; K72-E77 HydrophobicContact CD-CG 4.28Å; K72-E77 HydrophobicContact CG-CG 4.05Å
73I88.2Confident84.6Confident2 Ų272.8 Ų72.81%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-121.3120.6175.9-178.8174.1000109.2L50 Y61 I63 D75 Q76 F78 L84 Y88 L93L50-I73 HydrophobicContact CB-CD1 4.47Å; L50-I73 HydrophobicContact CD2-CD1 3.94Å; Y61-I73 HydrophobicContact CG-CD1 4.36Å; I63-I73 HydrophobicContact CG1-CB 4.14Å; I63-I73 HydrophobicContact CG1-CD1 4.01Å; I63-I73 HydrophobicContact CG1-CG1 4.25Å; I73-D75 PolarHBondContact O-N 3.02Å; I73-D75 VanDerWaalsContact O-N 3.11Å; I73-Q76 HydrophobicContact CG2-CB 4.47Å; I73-Q76 PolarHBondContact N-O 2.85Å; I73-Q76 PolarHBondContact O-N 2.97Å; I73-F78 HydrophobicContact CG2-CD2 3.89Å; I73-F78 HydrophobicContact CG2-CE2 3.43Å; I73-F78 VanDerWaalsContact CG2-CE2 3.43Å; I73-L84 HydrophobicContact CB-CD1 3.82Å; I73-L84 HydrophobicContact CD1-CD1 4.37Å; I73-L84 HydrophobicContact CD1-CD2 4.19Å; I73-L84 HydrophobicContact CG2-CD1 3.34Å; I73-L84 HydrophobicContact CG2-CD2 4.41Å; I73-L84 HydrophobicContact CG2-CG 3.78Å; I73-Y88 HydrophobicContact CD1-CE2 4.3Å; I73-Y88 HydrophobicContact CG2-CE2 3.72Å; I73-L93 HydrophobicContact CD1-CD2 4.28Å
74G83.1Confident84.5Confident50 Ų5072.8 Ų72.852%0.51538%0.378SS..THydrogen-bonded Turntrans54.9-117.4-171.100000111.4K72K72-G74 WeakPolarHBondContact CE-O 3.24Å
75D81.5Confident84.5Confident146 Ų14669.7 Ų69.778%0.78136%0.362SS*.THydrogen-bonded Turntrans-102.510.1178.2-67-83.4000113.7I73I73-D75 PolarHBondContact O-N 3.02Å; I73-D75 VanDerWaalsContact O-N 3.11Å
76Q84.9Confident84.4Confident86 Ų8673 Ų7340%0.40237%0.371SS..EExtended strand (participates in β ladder)trans-112139.5-178.6-61.2-63.3-88.200111.6K72 I73 F78K72-Q76 CarbonylContact C-O 3.54Å; K72-Q76 VanDerWaalsContact CA-O 3.28Å; K72-Q76 WeakPolarHBondContact CA-O 3.46Å; I73-Q76 HydrophobicContact CG2-CB 4.47Å; I73-Q76 PolarHBondContact N-O 2.85Å; I73-Q76 PolarHBondContact O-N 2.97Å; Q76-F78 HydrophobicContact CB-CD2 4.44Å; Q76-F78 HydrophobicContact CB-CE2 3.49Å; Q76-F78 VanDerWaalsContact CB-CE2 3.49Å; Q76-F78 HydrophobicContact CB-CZ 3.82Å
77E87.9Confident84.5Confident119 Ų11973.8 Ų73.856%0.55637%0.373SS*.EExtended strand (participates in β ladder)trans-116.4136.9179.4-65.1179.584.100110.4L66 F71 K72L66-E77 WeakPolarHBondContact CD1-OE1 2.92Å; F71-E77 CarbonylContact O-C 3.41Å; K72-E77 HydrophobicContact CB-CG 4.21Å; K72-E77 HydrophobicContact CD-CG 4.28Å; K72-E77 HydrophobicContact CG-CG 4.05Å
78F88.1Confident84.9Confident19 Ų1968.9 Ų68.98%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-133.2148.5-175.8-61-84.2000110.6R70 F71 I73 Q76 L84 F87 Y88R70-F78 CarbonylContact C-O 3.53Å; R70-F78 WeakPolarHBondContact CA-O 3.25Å; F71-F78 PolarHBondContact N-O 2.76Å; F71-F78 PolarHBondContact O-N 2.89Å; I73-F78 HydrophobicContact CG2-CD2 3.89Å; I73-F78 HydrophobicContact CG2-CE2 3.43Å; I73-F78 VanDerWaalsContact CG2-CE2 3.43Å; Q76-F78 HydrophobicContact CB-CD2 4.44Å; Q76-F78 HydrophobicContact CB-CE2 3.49Å; Q76-F78 VanDerWaalsContact CB-CE2 3.49Å; Q76-F78 HydrophobicContact CB-CZ 3.82Å; F78-L84 HydrophobicContact CB-CB 4Å; F78-L84 HydrophobicContact CD1-CB 4.06Å; F78-L84 HydrophobicContact CD2-CB 3.67Å; F78-L84 HydrophobicContact CD2-CD1 3.68Å; F78-L84 HydrophobicContact CD2-CG 3.63Å; F78-L84 HydrophobicContact CE1-CB 4.49Å; F78-L84 HydrophobicContact CE2-CB 4.13Å; F78-L84 HydrophobicContact CE2-CD1 4.1Å; F78-L84 HydrophobicContact CE2-CG 3.75Å; F78-L84 HydrophobicContact CG-CB 3.62Å; F78-L84 HydrophobicContact CG-CD1 4.39Å; F78-L84 HydrophobicContact CG-CG 4.14Å; F78-L84 HydrophobicContact CZ-CG 4.35Å; F78-F87 HydrophobicContact CE1-CB 3.55Å; F78-F87 AromaticContact CE1-CD1 3.91Å; F78-F87 HydrophobicContact CE1-CD1 3.91Å; F78-F87 HydrophobicContact CE1-CD2 4.11Å; F78-F87 AromaticContact CE1-CG 3.61Å; F78-F87 HydrophobicContact CE1-CG 3.61Å; F78-F87 HydrophobicContact CZ-CB 4.11Å; F78-F87 AromaticContact CZ-CD1 3.69Å; F78-F87 HydrophobicContact CZ-CD1 3.69Å; F78-F87 HydrophobicContact CZ-CE1 4.2Å; F78-F87 AromaticContact CZ-CG 3.91Å; F78-F87 HydrophobicContact CZ-CG 3.91Å; F78-Y88 AromaticContact CE2-CE2 3.85Å; F78-Y88 HydrophobicContact CE2-CE2 3.85Å; F78-Y88 HydrophobicContact CZ-CD2 4.39Å; F78-Y88 AromaticContact CZ-CE2 3.76Å; F78-Y88 HydrophobicContact CZ-CE2 3.76Å
79D84.5Confident85.1Confident96 Ų9664.8 Ų64.851%0.51331%0.314SS..SBendtrans-75.4-24.9179.4-69.3-83.3000113.6R70R70-D79 IonicContact CZ-OD1 3.6Å; R70-D79 IonicContact NE-OD1 3.04Å; R70-D79 PolarHBondContact NE-OD1 3.41Å; R70-D79 IonicContact NH2-OD1 3.22Å; R70-D79 PolarHBondContact NH2-OD1 2.67Å; R70-D79 IonicContact NH2-OD2 3.81Å
80H85.6Confident85.2Confident95 Ų9560.7 Ų60.744%0.4431%0.307SS..SBendtrans-157.6157.6173.452.680.6000111.8F71 P82 A83 L84F71-H80 VanDerWaalsContact CD2-CA 3.42Å; F71-H80 HydrophobicContact CE2-CB 4.39Å; H80-P82 WeakPolarHBondContact ND1-CB 3.05Å; H80-P82 VanDerWaalsContact ND1-CD 3.31Å; H80-P82 WeakPolarHBondContact ND1-CD 3.44Å; H80-P82 WeakPolarHBondContact ND1-CG 3.14Å; H80-A83 PolarHBondContact ND1-N 2.73Å; H80-A83 WeakPolarHBondContact O-CB 3.42Å; H80-A83 PolarHBondContact O-N 3.07Å; H80-L84 PolarHBondContact O-N 3.34Å
81L84.9Confident84.9Confident10 Ų1059.7 Ų59.75%0.05231%0.306CS..Hα-helixtrans-48.4-46.7177.4-75.9167.4000114W14 Y48 I63 F71 A83 L84 L85W14-L81 HydrophobicContact CH2-CB 3.7Å; W14-L81 HydrophobicContact CH2-CD1 3.97Å; W14-L81 HydrophobicContact CH2-CG 4.42Å; W14-L81 HydrophobicContact CZ2-CB 4.45Å; W14-L81 HydrophobicContact CZ3-CB 4.34Å; W14-L81 HydrophobicContact CZ3-CD1 4.17Å; Y48-L81 HydrophobicContact CD1-CD1 4.08Å; Y48-L81 HydrophobicContact CD2-CD1 4.12Å; Y48-L81 HydrophobicContact CE1-CD1 4.09Å; Y48-L81 HydrophobicContact CE2-CD1 4.16Å; Y48-L81 HydrophobicContact CG-CD1 4.09Å; Y48-L81 HydrophobicContact CG-CD2 4.38Å; I63-L81 HydrophobicContact CD1-CD2 3.84Å; I63-L81 HydrophobicContact CG2-CD2 3.99Å; F71-L81 HydrophobicContact CD1-CD2 4.08Å; F71-L81 HydrophobicContact CD1-CG 3.93Å; F71-L81 HydrophobicContact CD2-CG 4.49Å; F71-L81 HydrophobicContact CE1-CD1 4.2Å; F71-L81 HydrophobicContact CE1-CD2 4.48Å; F71-L81 HydrophobicContact CE1-CG 3.93Å; F71-L81 HydrophobicContact CE2-CG 4.49Å; F71-L81 HydrophobicContact CG-CD2 4.41Å; F71-L81 HydrophobicContact CG-CG 4.2Å; F71-L81 HydrophobicContact CZ-CD1 4.49Å; F71-L81 HydrophobicContact CZ-CG 4.2Å; L81-A83 VanDerWaalsContact C-N 3.27Å; L81-A83 PolarHBondContact O-N 2.87Å; L81-L84 WeakPolarHBondContact O-CB 3.42Å; L81-L84 PolarHBondContact O-N 2.89Å; L81-L84 VanDerWaalsContact O-N 3.17Å; L81-L85 WeakPolarHBondContact O-CD1 2.9Å; L81-L85 PolarHBondContact O-N 3.42Å
82P85.1Confident84.6Confident33 Ų3366 Ų6621%0.21433%0.33CS..Hα-helixtrans-55.9-37.6177.3-22.324.6000114.4S8 H80 L85 E86S8-P82 WeakPolarHBondContact CB-O 3.42Å; S8-P82 WeakPolarHBondContact O-CB 3.33Å; H80-P82 WeakPolarHBondContact ND1-CB 3.05Å; H80-P82 VanDerWaalsContact ND1-CD 3.31Å; H80-P82 WeakPolarHBondContact ND1-CD 3.44Å; H80-P82 WeakPolarHBondContact ND1-CG 3.14Å; P82-L85 PolarHBondContact O-N 2.85Å; P82-E86 WeakPolarHBondContact O-CB 3.26Å; P82-E86 PolarHBondContact O-N 3.29Å
83A85.3Confident84.1Confident28 Ų2863.8 Ų63.823%0.23132%0.322CS..Hα-helixtrans-69.6-38.6-179.300000111.1H80 L81 E86 F87H80-A83 PolarHBondContact ND1-N 2.73Å; H80-A83 WeakPolarHBondContact O-CB 3.42Å; H80-A83 PolarHBondContact O-N 3.07Å; L81-A83 VanDerWaalsContact C-N 3.27Å; L81-A83 PolarHBondContact O-N 2.87Å; A83-E86 PolarHBondContact O-N 3.38Å; A83-F87 WeakPolarHBondContact O-CB 3.07Å; A83-F87 PolarHBondContact O-N 3.02Å
84L88.4Confident83.3Confident0 Ų068.1 Ų68.10%035%0.345CS..Hα-helixtrans-58.3-51.3171.4-177.8162.4000110.3L50 I63 I73 F78 H80 L81 E86 F87 Y88L50-L84 HydrophobicContact CD2-CD2 4.09Å; I63-L84 HydrophobicContact CD1-CD1 4.16Å; I63-L84 HydrophobicContact CD1-CD2 4.43Å; I63-L84 HydrophobicContact CG1-CD1 4.08Å; I63-L84 HydrophobicContact CG2-CD1 3.92Å; I73-L84 HydrophobicContact CB-CD1 3.82Å; I73-L84 HydrophobicContact CD1-CD1 4.37Å; I73-L84 HydrophobicContact CD1-CD2 4.19Å; I73-L84 HydrophobicContact CG2-CD1 3.34Å; I73-L84 HydrophobicContact CG2-CD2 4.41Å; I73-L84 HydrophobicContact CG2-CG 3.78Å; F78-L84 HydrophobicContact CB-CB 4Å; F78-L84 HydrophobicContact CD1-CB 4.06Å; F78-L84 HydrophobicContact CD2-CB 3.67Å; F78-L84 HydrophobicContact CD2-CD1 3.68Å; F78-L84 HydrophobicContact CD2-CG 3.63Å; F78-L84 HydrophobicContact CE1-CB 4.49Å; F78-L84 HydrophobicContact CE2-CB 4.13Å; F78-L84 HydrophobicContact CE2-CD1 4.1Å; F78-L84 HydrophobicContact CE2-CG 3.75Å; F78-L84 HydrophobicContact CG-CB 3.62Å; F78-L84 HydrophobicContact CG-CD1 4.39Å; F78-L84 HydrophobicContact CG-CG 4.14Å; F78-L84 HydrophobicContact CZ-CG 4.35Å; H80-L84 PolarHBondContact O-N 3.34Å; L81-L84 WeakPolarHBondContact O-CB 3.42Å; L81-L84 PolarHBondContact O-N 2.89Å; L81-L84 VanDerWaalsContact O-N 3.17Å; L84-E86 VanDerWaalsContact C-N 3.3Å; L84-E86 PolarHBondContact O-N 3.42Å; L84-F87 PolarHBondContact O-N 3.49Å; L84-Y88 HydrophobicContact CD2-CD2 3.8Å; L84-Y88 HydrophobicContact CD2-CE2 4.13Å; L84-Y88 HydrophobicContact CG-CD2 4.08Å; L84-Y88 HydrophobicContact CG-CE2 4.07Å; L84-Y88 WeakPolarHBondContact O-CD2 3.21Å; L84-Y88 PolarHBondContact O-N 2.92Å; L84-Y88 VanDerWaalsContact O-N 3.11Å
85L85.7Confident82.9Confident0 Ų069.1 Ų69.10%034%0.342CS..Hα-helixtrans-58.6-45.8179.1-86.375.1000110.8F6 W14 F36 V38 L81 P82 F87 Y88 K89 L98F6-L85 HydrophobicContact CE2-CB 4.1Å; F6-L85 HydrophobicContact CE2-CD2 3.95Å; F6-L85 HydrophobicContact CZ-CB 4.4Å; W14-L85 HydrophobicContact CB-CD2 3.97Å; W14-L85 HydrophobicContact CD2-CD2 3.48Å; W14-L85 VanDerWaalsContact CD2-CD2 3.48Å; W14-L85 HydrophobicContact CE3-CD2 4.07Å; W14-L85 HydrophobicContact CG-CD2 3.42Å; W14-L85 VanDerWaalsContact CG-CD2 3.42Å; W14-L85 HydrophobicContact CZ2-CD2 4.47Å; F36-L85 HydrophobicContact CE2-CD2 3.47Å; F36-L85 VanDerWaalsContact CE2-CD2 3.47Å; F36-L85 HydrophobicContact CE2-CG 4.05Å; F36-L85 HydrophobicContact CZ-CD2 3.92Å; V38-L85 HydrophobicContact CG2-CD1 4.19Å; L81-L85 WeakPolarHBondContact O-CD1 2.9Å; L81-L85 PolarHBondContact O-N 3.42Å; P82-L85 PolarHBondContact O-N 2.85Å; L85-F87 PolarHBondContact O-N 3.32Å; L85-Y88 CarbonylContact O-C 3.54Å; L85-Y88 PolarHBondContact O-N 3.13Å; L85-K89 WeakPolarHBondContact O-CG 3.49Å; L85-K89 PolarHBondContact O-N 3.05Å; L85-L98 HydrophobicContact CB-CD1 4.36Å; L85-L98 HydrophobicContact CG-CD1 4.24Å
86E83Confident82.8Confident122 Ų12262.7 Ų62.757%0.5731%0.308SS*.Hα-helixtrans-62.4-42-179.1-164.9175104.900113P82 A83 L84 Y88 K89P82-E86 WeakPolarHBondContact O-CB 3.26Å; P82-E86 PolarHBondContact O-N 3.29Å; A83-E86 PolarHBondContact O-N 3.38Å; L84-E86 VanDerWaalsContact C-N 3.3Å; L84-E86 PolarHBondContact O-N 3.42Å; E86-Y88 PolarHBondContact O-N 3.01Å; E86-K89 HydrophobicContact CB-CD 4.44Å; E86-K89 HydrophobicContact CG-CD 4.25Å; E86-K89 VanDerWaalsContact O-CB 3.28Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 3.16Å; E86-K89 VanDerWaalsContact O-N 3.17Å
87F84.9Confident82.9Confident69 Ų6959.9 Ų59.930%0.30330%0.296SS..Hα-helixtrans-59.6-46.1175.1-178.5-92.2000111.8F78 A83 L84 L85 K89 I90 H91F78-F87 HydrophobicContact CE1-CB 3.55Å; F78-F87 AromaticContact CE1-CD1 3.91Å; F78-F87 HydrophobicContact CE1-CD1 3.91Å; F78-F87 HydrophobicContact CE1-CD2 4.11Å; F78-F87 AromaticContact CE1-CG 3.61Å; F78-F87 HydrophobicContact CE1-CG 3.61Å; F78-F87 HydrophobicContact CZ-CB 4.11Å; F78-F87 AromaticContact CZ-CD1 3.69Å; F78-F87 HydrophobicContact CZ-CD1 3.69Å; F78-F87 HydrophobicContact CZ-CE1 4.2Å; F78-F87 AromaticContact CZ-CG 3.91Å; F78-F87 HydrophobicContact CZ-CG 3.91Å; A83-F87 WeakPolarHBondContact O-CB 3.07Å; A83-F87 PolarHBondContact O-N 3.02Å; L84-F87 PolarHBondContact O-N 3.49Å; L85-F87 PolarHBondContact O-N 3.32Å; F87-K89 PolarHBondContact O-N 3.12Å; F87-I90 WeakPolarHBondContact O-CG1 3.43Å; F87-I90 PolarHBondContact O-N 3.26Å; F87-H91 HydrophobicContact CD1-CB 4.01Å; F87-H91 AromaticContact CD1-ND1 3.39Å; F87-H91 WeakPolarHBondContact CD1-ND1 3.49Å; F87-H91 AromaticContact CD2-CE1 3.74Å; F87-H91 AromaticContact CD2-ND1 3.33Å; F87-H91 VanDerWaalsContact CD2-ND1 3.33Å; F87-H91 WeakPolarHBondContact CD2-ND1 3.42Å; F87-H91 HydrophobicContact CE1-CB 3.82Å; F87-H91 AromaticContact CE1-CG 3.75Å; F87-H91 AromaticContact CE1-ND1 3.15Å; F87-H91 WeakPolarHBondContact CE1-ND1 3.19Å; F87-H91 AromaticContact CE2-CE1 3.28Å; F87-H91 WeakPolarHBondContact CE2-CE1 3.39Å; F87-H91 AromaticContact CE2-ND1 3.09Å; F87-H91 WeakPolarHBondContact CE2-ND1 3.38Å; F87-H91 AromaticContact CG-ND1 3.49Å; F87-H91 WeakPolarHBondContact CG-ND1 3.33Å; F87-H91 HydrophobicContact CZ-CB 4.44Å; F87-H91 AromaticContact CZ-CE1 3.48Å; F87-H91 VanDerWaalsContact CZ-CE1 3.48Å; F87-H91 WeakPolarHBondContact CZ-CE1 3.4Å; F87-H91 AromaticContact CZ-CG 3.89Å; F87-H91 AromaticContact CZ-ND1 3.01Å; F87-H91 WeakPolarHBondContact CZ-ND1 3.2Å; F87-H91 WeakPolarHBondContact O-CB 3.39Å; F87-H91 PolarHBondContact O-N 3.2Å; F87-H91 PolarHBondContact O-ND1 3.31Å
88Y85.4Confident82.7Confident22 Ų2254.2 Ų54.29%0.08627%0.27CS..Hα-helixtrans-79.31.2179.1-71.5-70.3000114.2I73 F78 L84 L85 E86 I90 H91 L93 L98I73-Y88 HydrophobicContact CD1-CE2 4.3Å; I73-Y88 HydrophobicContact CG2-CE2 3.72Å; F78-Y88 AromaticContact CE2-CE2 3.85Å; F78-Y88 HydrophobicContact CE2-CE2 3.85Å; F78-Y88 HydrophobicContact CZ-CD2 4.39Å; F78-Y88 AromaticContact CZ-CE2 3.76Å; F78-Y88 HydrophobicContact CZ-CE2 3.76Å; L84-Y88 HydrophobicContact CD2-CD2 3.8Å; L84-Y88 HydrophobicContact CD2-CE2 4.13Å; L84-Y88 HydrophobicContact CG-CD2 4.08Å; L84-Y88 HydrophobicContact CG-CE2 4.07Å; L84-Y88 WeakPolarHBondContact O-CD2 3.21Å; L84-Y88 PolarHBondContact O-N 2.92Å; L84-Y88 VanDerWaalsContact O-N 3.11Å; L85-Y88 CarbonylContact O-C 3.54Å; L85-Y88 PolarHBondContact O-N 3.13Å; E86-Y88 PolarHBondContact O-N 3.01Å; Y88-I90 PolarHBondContact O-N 3.48Å; Y88-H91 CarbonylContact C-O 3.56Å; Y88-H91 WeakPolarHBondContact CA-O 3.44Å; Y88-H91 HydrophobicContact CD1-CB 4.33Å; Y88-H91 VanDerWaalsContact O-O 3.1Å; Y88-L93 HydrophobicContact CD1-CB 4.49Å; Y88-L93 HydrophobicContact CD1-CD1 3.48Å; Y88-L93 VanDerWaalsContact CD1-CD1 3.48Å; Y88-L93 HydrophobicContact CD1-CG 3.52Å; Y88-L93 HydrophobicContact CE1-CD1 4.25Å; Y88-L93 HydrophobicContact CE1-CG 3.77Å; Y88-L93 HydrophobicContact CG-CD1 3.66Å; Y88-L93 HydrophobicContact CG-CG 4Å; Y88-L98 PolarHBondContact O-N 2.84Å
89K83Confident82.4Confident47 Ų4754.4 Ų54.420%0.20427%0.271CS..Hα-helixtrans-64.2-33.8166.7-71.7170.181.7163.80111.5A4 F6 L85 E86 F87 T97A4-K89 HydrophobicContact CB-CB 3.82Å; A4-K89 HydrophobicContact CB-CD 4Å; A4-K89 HydrophobicContact CB-CG 3.65Å; A4-K89 PolarHBondContact O-NZ 3.17Å; F6-K89 HydrophobicContact CE1-CD 4.04Å; F6-K89 HydrophobicContact CE1-CG 3.65Å; F6-K89 HydrophobicContact CE2-CD 4.12Å; F6-K89 HydrophobicContact CE2-CG 4.3Å; F6-K89 HydrophobicContact CZ-CD 3.66Å; F6-K89 HydrophobicContact CZ-CG 3.38Å; F6-K89 PolarHBondContact O-NZ 2.89Å; L85-K89 WeakPolarHBondContact O-CG 3.49Å; L85-K89 PolarHBondContact O-N 3.05Å; E86-K89 HydrophobicContact CB-CD 4.44Å; E86-K89 HydrophobicContact CG-CD 4.25Å; E86-K89 VanDerWaalsContact O-CB 3.28Å; E86-K89 WeakPolarHBondContact O-CB 3.36Å; E86-K89 PolarHBondContact O-N 3.16Å; E86-K89 VanDerWaalsContact O-N 3.17Å; F87-K89 PolarHBondContact O-N 3.12Å; K89-T97 WeakPolarHBondContact O-CB 3.2Å
90I79.4Confident82.3Confident128 Ų12852.7 Ų52.766%0.65626%0.26SS*.Hα-helixtrans-115.3-21.3-177.159.9171.5000112.9F87 Y88F87-I90 WeakPolarHBondContact O-CG1 3.43Å; F87-I90 PolarHBondContact O-N 3.26Å; Y88-I90 PolarHBondContact O-N 3.48Å
91H79.2Confident82.2Confident80 Ų8049.6 Ų49.637%0.3725%0.248SC..SBendtrans-97.2137.4175.2-65.3135.9000112F87 Y88F87-H91 HydrophobicContact CD1-CB 4.01Å; F87-H91 AromaticContact CD1-ND1 3.39Å; F87-H91 WeakPolarHBondContact CD1-ND1 3.49Å; F87-H91 AromaticContact CD2-CE1 3.74Å; F87-H91 AromaticContact CD2-ND1 3.33Å; F87-H91 VanDerWaalsContact CD2-ND1 3.33Å; F87-H91 WeakPolarHBondContact CD2-ND1 3.42Å; F87-H91 HydrophobicContact CE1-CB 3.82Å; F87-H91 AromaticContact CE1-CG 3.75Å; F87-H91 AromaticContact CE1-ND1 3.15Å; F87-H91 WeakPolarHBondContact CE1-ND1 3.19Å; F87-H91 AromaticContact CE2-CE1 3.28Å; F87-H91 WeakPolarHBondContact CE2-CE1 3.39Å; F87-H91 AromaticContact CE2-ND1 3.09Å; F87-H91 WeakPolarHBondContact CE2-ND1 3.38Å; F87-H91 AromaticContact CG-ND1 3.49Å; F87-H91 WeakPolarHBondContact CG-ND1 3.33Å; F87-H91 HydrophobicContact CZ-CB 4.44Å; F87-H91 AromaticContact CZ-CE1 3.48Å; F87-H91 VanDerWaalsContact CZ-CE1 3.48Å; F87-H91 WeakPolarHBondContact CZ-CE1 3.4Å; F87-H91 AromaticContact CZ-CG 3.89Å; F87-H91 AromaticContact CZ-ND1 3.01Å; F87-H91 WeakPolarHBondContact CZ-ND1 3.2Å; F87-H91 WeakPolarHBondContact O-CB 3.39Å; F87-H91 PolarHBondContact O-N 3.2Å; F87-H91 PolarHBondContact O-ND1 3.31Å; Y88-H91 CarbonylContact C-O 3.56Å; Y88-H91 WeakPolarHBondContact CA-O 3.44Å; Y88-H91 HydrophobicContact CD1-CB 4.33Å; Y88-H91 VanDerWaalsContact O-O 3.1Å
92Y80.2Confident81.9Confident159 Ų15949.2 Ų49.262%0.62425%0.247SC*.  trans-71.4135.8177.4-69.8-91.9000110.3T95 T97Y92-T95 VanDerWaalsContact CD1-C 3.5Å; Y92-T95 WeakPolarHBondContact CD1-O 2.99Å; Y92-T95 WeakPolarHBondContact CE1-O 3.49Å; Y92-T97 HydrophobicContact CD1-CG2 3.97Å; Y92-T97 HydrophobicContact CD2-CG2 4.1Å; Y92-T97 HydrophobicContact CE1-CG2 4.05Å; Y92-T97 HydrophobicContact CE2-CG2 4.16Å; Y92-T97 HydrophobicContact CG-CG2 4.01Å
93L77Confident81.1Confident28 Ų2850.5 Ų50.515%0.14726%0.255CS..SBendtrans-77-61.5168.2-79.892.3000110.6L50 Y61 I73 Y88 T96 L98L50-L93 HydrophobicContact CD2-CD2 3.76Å; Y61-L93 HydrophobicContact CD1-CD2 4.04Å; Y61-L93 HydrophobicContact CD2-CD2 3.3Å; Y61-L93 HydrophobicContact CE1-CB 4.2Å; Y61-L93 HydrophobicContact CE1-CD2 4.14Å; Y61-L93 HydrophobicContact CE2-CB 3.97Å; Y61-L93 HydrophobicContact CE2-CD2 3.42Å; Y61-L93 VanDerWaalsContact CE2-CD2 3.42Å; Y61-L93 HydrophobicContact CE2-CG 4.32Å; Y61-L93 HydrophobicContact CG-CD2 3.64Å; I73-L93 HydrophobicContact CD1-CD2 4.28Å; Y88-L93 HydrophobicContact CD1-CB 4.49Å; Y88-L93 HydrophobicContact CD1-CD1 3.48Å; Y88-L93 VanDerWaalsContact CD1-CD1 3.48Å; Y88-L93 HydrophobicContact CD1-CG 3.52Å; Y88-L93 HydrophobicContact CE1-CD1 4.25Å; Y88-L93 HydrophobicContact CE1-CG 3.77Å; Y88-L93 HydrophobicContact CG-CD1 3.66Å; Y88-L93 HydrophobicContact CG-CG 4Å; L93-T96 PolarHBondContact N-O 3.38Å; L93-T96 VanDerWaalsContact N-O 3.1Å; L93-L98 HydrophobicContact CD1-CD2 3.89Å; L93-L98 HydrophobicContact CD1-CG 4.05Å
94D72.1Confident79.9Confident94 Ų9454 Ų5450%0.50326%0.262SS..SBendtrans-117-68169.4-117.2-107.3000108.6E54 R57 Y61E54-D94 WeakPolarHBondContact OE2-CB 3.39Å; R57-D94 IonicContact NH2-OD1 3.89Å; Y61-D94 VanDerWaalsContact OH-CB 3.31Å; Y61-D94 WeakPolarHBondContact OH-CB 3.39Å; Y61-D94 PolarHBondContact OH-OD2 3.1Å
95T75.4Confident78.1Confident71 Ų7162 Ų6244%0.43629%0.294SS..SBendtrans-139.3-3.4-174.6660000112.4E54 N55 Y92E54-T95 WeakPolarHBondContact CG-OG1 3.46Å; E54-T95 PolarHBondContact OE1-OG1 3.26Å; E54-T95 WeakPolarHBondContact OE2-CA 3.48Å; E54-T95 PolarHBondContact OE2-N 3.44Å; E54-T95 PolarHBondContact OE2-OG1 3.28Å; N55-T95 PolarHBondContact ND2-OG1 2.8Å; Y92-T95 VanDerWaalsContact CD1-C 3.5Å; Y92-T95 WeakPolarHBondContact CD1-O 2.99Å; Y92-T95 WeakPolarHBondContact CE1-O 3.49Å
96T79.3Confident76.2Confident11 Ų1165 Ų657%0.06731%0.313CS..  trans-126.7154.6171.9-158.10000112.9G34 V52 E54 L93G34-T96 WeakPolarHBondContact CA-OG1 3.45Å; G34-T96 PolarHBondContact N-OG1 3.08Å; V52-T96 HydrophobicContact CG2-CG2 3.62Å; E54-T96 HydrophobicContact CB-CG2 3.77Å; E54-T96 HydrophobicContact CG-CG2 3.83Å; E54-T96 PolarHBondContact OE2-N 2.71Å; L93-T96 PolarHBondContact N-O 3.38Å; L93-T96 VanDerWaalsContact N-O 3.1Å
97T85.9Confident74.1Confident26 Ų2663.4 Ų63.416%0.1632%0.315CS..  trans-99162.5169.462.40000109.8G34 K89 Y92 I99G34-T97 VanDerWaalsContact CA-O 3.23Å; G34-T97 WeakPolarHBondContact CA-O 3.48Å; K89-T97 WeakPolarHBondContact O-CB 3.2Å; Y92-T97 HydrophobicContact CD1-CG2 3.97Å; Y92-T97 HydrophobicContact CD2-CG2 4.1Å; Y92-T97 HydrophobicContact CE1-CG2 4.05Å; Y92-T97 HydrophobicContact CE2-CG2 4.16Å; Y92-T97 HydrophobicContact CG-CG2 4.01Å; T97-I99 PolarHBondContact O-N 3.44Å
98L84Confident71.8Confident0 Ų064.8 Ų64.80%033%0.332CS..  trans-74.3116.7174.7-56.9-178.2000109.8A4 F6 F36 L50 V52 L85 Y88 L93A4-L98 WeakPolarHBondContact CB-O 3.49Å; F6-L98 HydrophobicContact CE1-CB 4.09Å; F6-L98 HydrophobicContact CZ-CB 4.1Å; F36-L98 HydrophobicContact CB-CD2 3.61Å; F36-L98 HydrophobicContact CD1-CB 3.75Å; F36-L98 HydrophobicContact CD1-CD2 3.83Å; F36-L98 HydrophobicContact CD1-CG 4.23Å; F36-L98 HydrophobicContact CD2-CD1 4.41Å; F36-L98 HydrophobicContact CD2-CD2 4.2Å; F36-L98 HydrophobicContact CE1-CB 3.87Å; F36-L98 HydrophobicContact CE2-CD1 4.49Å; F36-L98 HydrophobicContact CG-CB 4.35Å; F36-L98 HydrophobicContact CG-CD1 4.47Å; F36-L98 HydrophobicContact CG-CD2 3.6Å; F36-L98 HydrophobicContact CG-CG 4.34Å; L50-L98 HydrophobicContact CD1-CD2 4.34Å; L50-L98 HydrophobicContact CD2-CD1 4.26Å; L50-L98 HydrophobicContact CD2-CD2 4.27Å; V52-L98 HydrophobicContact CB-CD2 4.47Å; V52-L98 HydrophobicContact CG2-CD2 4.15Å; L85-L98 HydrophobicContact CB-CD1 4.36Å; L85-L98 HydrophobicContact CG-CD1 4.24Å; Y88-L98 PolarHBondContact O-N 2.84Å; L93-L98 HydrophobicContact CD1-CD2 3.89Å; L93-L98 HydrophobicContact CD1-CG 4.05Å
99I81.6Confident69.3Low24 Ų2469.5 Ų69.512%0.12337%0.365CS..  trans-103.8-49.9-176.6-59.9-176000111.1A4 R5 F6 H33 G34 T97A4-I99 WeakPolarHBondContact CA-O 3.03Å; R5-I99 PolarHBondContact N-O 3.15Å; F6-I99 WeakPolarHBondContact CD1-O 3.34Å; H33-I99 WeakPolarHBondContact O-CD1 3.37Å; G34-I99 PolarHBondContact O-N 3.11Å; T97-I99 PolarHBondContact O-N 3.44Å
100E82.5Confident67.2Low59 Ų5974.4 Ų74.428%0.27639%0.39SS..EExtended strand (participates in β ladder)trans-155.3147.1-173.149178.3127.800111.9R32 G34 M35 F36R32-E100 WeakPolarHBondContact CD-OE1 3.36Å; R32-E100 IonicContact NE-OE1 3.8Å; R32-E100 PolarHBondContact NE-OE1 3.1Å; G34-E100 PolarHBondContact O-N 3.13Å; M35-E100 CarbonylContact C-O 3.57Å; M35-E100 VanDerWaalsContact CA-O 3.27Å; M35-E100 WeakPolarHBondContact CA-O 3.33Å; M35-E100 VanDerWaalsContact CE-CD 3.45Å; M35-E100 HydrophobicContact CE-CG 3.75Å; M35-E100 WeakPolarHBondContact CE-OE2 3.04Å; M35-E100 HydrophobicContact SD-CB 4.31Å; M35-E100 HydrophobicContact SD-CG 3.64Å; M35-E100 VanDerWaalsContact SD-O 3.41Å; F36-E100 WeakPolarHBondContact CD1-O 3.44Å; F36-E100 WeakPolarHBondContact CE1-O 3.39Å; F36-E100 PolarHBondContact N-O 3.2Å
101P84.3Confident65Low30 Ų3071.3 Ų71.320%0.19539%0.39CS..EExtended strand (participates in β ladder)trans-79.4141.7178.430.9-35.3000111.8F6 A13 W14 M35 F36F6-P101 HydrophobicContact CB-CG 3.99Å; A13-P101 HydrophobicContact CB-CG 4.06Å; A13-P101 WeakPolarHBondContact O-CB 3.43Å; W14-P101 HydrophobicContact CB-CB 3.86Å; M35-P101 VanDerWaalsContact SD-O 3.35Å; F36-P101 HydrophobicContact CE1-CB 4.46Å; F36-P101 HydrophobicContact CZ-CB 4.17Å; F36-P101 CarbonylContact O-C 3.58Å; F36-P101 WeakPolarHBondContact O-CA 3.37Å
102A78.6Confident63.1Low2 Ų272.5 Ų72.52%0.01741%0.407CS..PPolyproline II helixtrans-62146.7178.900000111.1M16 L28 M35 F36 L37 R104M16-A102 WeakPolarHBondContact CE-O 3.41Å; L28-A102 HydrophobicContact CD2-CB 3.83Å; M35-A102 HydrophobicContact CG-CB 4.02Å; M35-A102 WeakPolarHBondContact SD-CA 3.39Å; M35-A102 HydrophobicContact SD-CB 4.31Å; M35-A102 PolarHBondContact SD-N 2.87Å; F36-A102 PolarHBondContact O-N 2.91Å; L37-A102 HydrophobicContact CB-CB 3.95Å; L37-A102 HydrophobicContact CD2-CB 3.82Å; L37-A102 HydrophobicContact CG-CB 4.46Å; A102-R104 PolarHBondContact O-N 2.84Å
103P67.9Low61.1Low60 Ų6071.4 Ų71.439%0.3942%0.417SS..PPolyproline II helixtrans-63.3133.1176.123.5-31.8000111.4R27 Y105R27-P103 PolarHBondContact NH1-O 3.09Å; P103-Y105 PolarHBondContact O-N 3.4Å; P103-Y105 VanDerWaalsContact O-N 3.13Å
104R61Low59.2Low102 Ų10275.8 Ų75.839%0.38545%0.449SS..SBendtrans-56-25.1176.4-78.9-93179.993.9-24.9113.6S12 Y15 M16 R27 A102S12-R104 PolarHBondContact O-NE 2.92Å; S12-R104 VanDerWaalsContact O-NE 3.14Å; S12-R104 PolarHBondContact O-NH1 2.86Å; S12-R104 PolarHBondContact O-NH2 3.17Å; Y15-R104 PolarHBondContact O-NE 2.87Å; Y15-R104 PolarHBondContact O-NH2 3.12Å; M16-R104 HydrophobicContact CE-CB 4.41Å; M16-R104 HydrophobicContact CE-CG 3.77Å; M16-R104 VanDerWaalsContact SD-CA 3.6Å; M16-R104 HydrophobicContact SD-CB 4.26Å; M16-R104 HydrophobicContact SD-CG 3.91Å; R27-R104 PolarHBondContact NH1-O 3.17Å; A102-R104 PolarHBondContact O-N 2.84Å
105Y50.2Low58.2Low169 Ų16975.7 Ų75.766%0.66346%0.462SS*.SBendtrans-106.6137.4179.2-69.1-85.2000111.1R27 P103 S107R27-Y105 VanDerWaalsContact CZ-C 3.47Å; R27-Y105 PolarHBondContact NH1-O 2.78Å; P103-Y105 PolarHBondContact O-N 3.4Å; P103-Y105 VanDerWaalsContact O-N 3.13Å; Y105-S107 PolarHBondContact O-N 2.82Å; Y105-S107 VanDerWaalsContact O-N 3.16Å
106P45.6Very low56.7Low61 Ų6177.6 Ų77.640%0.39648%0.476SS..PPolyproline II helixtrans-64.8121.9167.513-1.3000103.6R27 P108R27-P106 VanDerWaalsContact CZ-CA 3.48Å; R27-P106 VanDerWaalsContact NE-CA 3.3Å; R27-P106 VanDerWaalsContact NE-CB 3.27Å; R27-P106 VanDerWaalsContact NH2-CG 3.3Å; P106-P108 VanDerWaalsContact O-CD 3.32Å; P106-P108 WeakPolarHBondContact O-CD 3.2Å
107S37.7Very low54.6Low89 Ų8984 Ų8462%0.62251%0.509SS*.PPolyproline II helixtrans-51118.9153.934.20000105.3Y105Y105-S107 PolarHBondContact O-N 2.82Å; Y105-S107 VanDerWaalsContact O-N 3.16Å
108P36.4Very low52.4Low99 Ų9990 Ų9064%0.64354%0.539SS*.PPolyproline II helixtrans-54.4134.2-179.220.4-30.8000107.7P106 M110P106-P108 VanDerWaalsContact O-CD 3.32Å; P106-P108 WeakPolarHBondContact O-CD 3.2Å; P108-M110 PolarHBondContact O-N 2.83Å
109P34.4Very low50.2Low121 Ų12195.2 Ų95.279%0.78657%0.574SS**SBendtrans-75.458178.933.1-36.3000109.3
110M38.6Very low47.8Very low150 Ų15099.4 Ų99.474%0.73960%0.6SS**  trans-174.2117-167-110.9158.8-166.200107P108P108-M110 PolarHBondContact O-N 2.83Å
111G33.7Very low45.7Very low63 Ų63101.2 Ų101.265%0.64963%0.626SS**  53.494.858.900000107.2
112S38.3Very low43.9Very low105 Ų105106.2 Ų106.273%0.73465%0.647SS**SBendtrans85.197.8178.372.30000117.8
113V38.2Very low42.4Very low136 Ų136114 Ų11482%0.82469%0.688SS**  trans46.9131.6133.4-79.40000121.1
114S37.5Very low41.8Very low119 Ų119117.6 Ų117.683%0.83270%0.704SS**  trans106.785.6153.5-42.80000115.8
115A50.1Low42Very low93 Ų93115.1 Ų115.177%0.76970%0.698SS**  trans-61.8163.3151.400000109.5
116P44Very low43.3Very low111 Ų111109.9 Ų109.972%0.72168%0.68SS**  -154174.269.239.8-18.1000117.2
117N35.2Very low45.1Very low145 Ų145110 Ų11078%0.77567%0.672SS**  trans93.382.6160.4-73.668.1000119.7
118L39.8Very low47.4Very low151 Ų151105.7 Ų105.779%0.79164%0.643SS**  -131.6137.2128.9-100.6105.4000110.2
119P38.5Very low49.7Very low111 Ų111105.9 Ų105.972%0.72163%0.631SS**  trans-80.4129.3-170.431.2-34.1000113.9
120T32.1Very low52.2Low111 Ų111100.2 Ų100.268%0.68159%0.594SS**  trans58.189138.549.90000119.9
121A38.5Very low54.4Low98 Ų9895.8 Ų95.881%0.8157%0.573SS**  trans-112.835136.200000110.2D123A121-D123 PolarHBondContact O-N 2.82Å
122E45Very low56.7Low135 Ų13598.9 Ų98.963%0.63157%0.566SS**G310 helixtrans-74.10.2-173.3-71.2-153.598.100115N124 L125E122-N124 PolarHBondContact O-N 2.75Å; E122-L125 HydrophobicContact CB-CD1 4.37Å
123D47.4Very low58.9Low166 Ų16699.2 Ų99.289%0.88856%0.559SS**G310 helixtrans-85-5.7-172.3-147.3-112.9000114.5A121A121-D123 PolarHBondContact O-N 2.82Å
124N55.9Low61Low135 Ų13594.2 Ų94.272%0.72253%0.526SS*.G310 helixtrans-132.639.6178-152.511.2000114E122 E126E122-N124 PolarHBondContact O-N 2.75Å; N124-E126 PolarHBondContact O-N 2.79Å; N124-E126 VanDerWaalsContact O-N 3.1Å
125L65.9Low62.8Low49 Ų4993.9 Ų93.926%0.25752%0.521SS..  trans-65.3106.9168.5-92.568000109.5E122 Y127 V151E122-L125 HydrophobicContact CB-CD1 4.37Å; L125-Y127 HydrophobicContact CB-CE2 4.14Å; L125-Y127 VanDerWaalsContact O-CD2 3.27Å; L125-Y127 WeakPolarHBondContact O-CD2 3.27Å; L125-Y127 WeakPolarHBondContact O-CE2 3.38Å; L125-V151 HydrophobicContact CB-CG1 3.98Å; L125-V151 HydrophobicContact CD2-CG1 3.38Å; L125-V151 HydrophobicContact CG-CG1 3.51Å
126E76.1Confident63.7Low60 Ų6090.6 Ų90.628%0.2850%0.496SS..EExtended strand (participates in β ladder)trans-75.8129.8169.2-92.8171.682.700109.6N124 I152 K155 K180N124-E126 PolarHBondContact O-N 2.79Å; N124-E126 VanDerWaalsContact O-N 3.1Å; E126-I152 HydrophobicContact CB-CB 4.04Å; E126-I152 HydrophobicContact CB-CG1 4.29Å; E126-I152 WeakPolarHBondContact O-CB 3.38Å; E126-I152 PolarHBondContact O-N 3.24Å; E126-K155 IonicContact OE1-NZ 3.04Å; E126-K155 PolarHBondContact OE1-NZ 2.88Å; E126-K155 IonicContact OE2-NZ 3.8Å; E126-K155 PolarHBondContact OE2-NZ 2.81Å; E126-K180 WeakPolarHBondContact OE1-CE 3.32Å; E126-K180 IonicContact OE1-NZ 2.69Å; E126-K180 PolarHBondContact OE1-NZ 2.97Å
127Y83.3Confident64.7Low62 Ų6291.9 Ų91.924%0.24350%0.497CS..EExtended strand (participates in β ladder)trans-98.6141.4175.8-63.9-96.8000109.2L125 I149 L150 V151 L181 R183L125-Y127 HydrophobicContact CB-CE2 4.14Å; L125-Y127 VanDerWaalsContact O-CD2 3.27Å; L125-Y127 WeakPolarHBondContact O-CD2 3.27Å; L125-Y127 WeakPolarHBondContact O-CE2 3.38Å; Y127-I149 HydrophobicContact CD1-CG2 4.03Å; Y127-L150 WeakPolarHBondContact CA-O 3.34Å; Y127-V151 HydrophobicContact CD1-CG2 3.98Å; Y127-V151 HydrophobicContact CE1-CG2 3.74Å; Y127-L181 WeakPolarHBondContact O-CA 3.05Å; Y127-L181 PolarHBondContact O-N 2.97Å; Y127-R183 VanDerWaalsContact CZ-NH2 3.3Å; Y127-R183 PolarHBondContact OH-NH2 2.85Å; Y127-R183 VanDerWaalsContact OH-NH2 3.16Å
128V86.1Confident66.1Low0 Ų089.8 Ų89.80%049%0.486CS..EExtended strand (participates in β ladder)trans-126.7148.2171.2-640000110.2I149 L150 I152 W161 I173 V178 E179 K180V128-I149 CarbonylContact O-C 3.51Å; V128-I149 VanDerWaalsContact O-CA 3.31Å; V128-I149 WeakPolarHBondContact O-CA 3.05Å; V128-L150 HydrophobicContact CG2-CB 3.78Å; V128-L150 PolarHBondContact N-O 3.35Å; V128-L150 PolarHBondContact O-N 2.78Å; V128-I152 HydrophobicContact CB-CD1 4.23Å; V128-I152 HydrophobicContact CB-CG1 4.41Å; V128-I152 HydrophobicContact CG1-CD1 3.66Å; V128-I152 HydrophobicContact CG1-CG1 3.53Å; V128-I152 HydrophobicContact CG2-CD1 3.51Å; V128-I152 HydrophobicContact CG2-CG1 4.1Å; V128-W161 HydrophobicContact CG1-CE3 4.29Å; V128-W161 HydrophobicContact CG1-CZ3 4.05Å; V128-I173 HydrophobicContact CG2-CD1 3.88Å; V128-V178 HydrophobicContact CB-CB 4Å; V128-V178 HydrophobicContact CB-CG2 4.08Å; V128-V178 HydrophobicContact CG1-CG2 4.2Å; V128-V178 HydrophobicContact CG2-CB 4.01Å; V128-V178 HydrophobicContact CG2-CG1 4.28Å; V128-V178 HydrophobicContact CG2-CG2 4.12Å; V128-E179 CarbonylContact C-O 3.52Å; V128-E179 VanDerWaalsContact CA-O 3.23Å; V128-E179 WeakPolarHBondContact CA-O 3.33Å; V128-K180 HydrophobicContact CG1-CG 4.08Å
129R85.8Confident67.5Low103 Ų10387.6 Ų87.639%0.38949%0.489SS..EExtended strand (participates in β ladder)trans-105.8129171.5178.4174.963.9-170.5-0.1109.2E148 I149 V178 E179 L181R129-E148 CarbonylContact C-O 3.45Å; R129-E148 WeakPolarHBondContact CA-O 3.31Å; R129-I149 HydrophobicContact CB-CD1 3.61Å; R129-I149 HydrophobicContact CG-CD1 3.77Å; R129-V178 CarbonylContact O-C 3.55Å; R129-V178 WeakPolarHBondContact O-CA 3.44Å; R129-E179 IonicContact CZ-OE1 3.64Å; R129-E179 PolarHBondContact N-O 2.86Å; R129-E179 IonicContact NE-OE1 3.86Å; R129-E179 IonicContact NH2-OE1 3.88Å; R129-E179 PolarHBondContact NH2-OE1 2.99Å; R129-E179 PolarHBondContact O-N 3.11Å; R129-L181 HydrophobicContact CB-CD1 3.87Å
130T86.9Confident69.1Low2 Ų289.8 Ų89.81%0.01249%0.49CS..EExtended strand (participates in β ladder)trans-75135.8177.359.10000110.5F144 K145 G147 E148 L150 Y177 V178T130-F144 VanDerWaalsContact CB-CD2 3.43Å; T130-F144 HydrophobicContact CG2-CB 3.83Å; T130-F144 HydrophobicContact CG2-CD1 4.16Å; T130-F144 HydrophobicContact CG2-CD2 3.2Å; T130-F144 HydrophobicContact CG2-CE2 3.7Å; T130-F144 HydrophobicContact CG2-CG 3.46Å; T130-F144 VanDerWaalsContact CG2-CG 3.46Å; T130-F144 HydrophobicContact CG2-CZ 4.38Å; T130-K145 PolarHBondContact OG1-O 2.84Å; T130-G147 WeakPolarHBondContact O-CA 3.36Å; T130-G147 PolarHBondContact O-N 2.79Å; T130-G147 PolarHBondContact OG1-N 2.73Å; T130-G147 VanDerWaalsContact OG1-N 3.15Å; T130-E148 HydrophobicContact CG2-CB 4.39Å; T130-E148 PolarHBondContact N-O 2.85Å; T130-E148 WeakPolarHBondContact OG1-CA 3.46Å; T130-E148 PolarHBondContact OG1-N 3.43Å; T130-E148 PolarHBondContact OG1-O 3.38Å; T130-E148 VanDerWaalsContact OG1-O 3.12Å; T130-L150 HydrophobicContact CG2-CD1 3.4Å; T130-L150 VanDerWaalsContact CG2-CD1 3.4Å; T130-L150 HydrophobicContact CG2-CG 3.78Å; T130-Y177 CarbonylContact C-O 3.52Å; T130-V178 HydrophobicContact CG2-CG1 3.78Å
131L84.5Confident71.4Confident57 Ų5785.2 Ų85.230%0.29846%0.461SS..SBendtrans-95.6-22.3-179-63.7177.6000112.4K146 Y177 E179L131-K146 VanDerWaalsContact O-CD 3.26Å; L131-K146 WeakPolarHBondContact O-CD 3.47Å; L131-K146 WeakPolarHBondContact O-CG 3.41Å; L131-Y177 PolarHBondContact N-O 2.86Å; L131-E179 HydrophobicContact CD1-CB 4.23Å; L131-E179 HydrophobicContact CD2-CB 4.12Å; L131-E179 HydrophobicContact CG-CB 4.2Å
132Y82Confident73.5Confident128 Ų12880.5 Ų80.550%0.50242%0.423SS..SBendtrans-134.9163.5-178.1-54.6-84.8000110.1F144 K145 K146 Y177Y132-F144 VanDerWaalsContact O-CD2 3.3Å; Y132-F144 WeakPolarHBondContact O-CD2 3.3Å; Y132-F144 VanDerWaalsContact O-CE2 3.23Å; Y132-F144 WeakPolarHBondContact O-CE2 3.37Å; Y132-K145 CarbonylContact O-C 3.42Å; Y132-K146 WeakPolarHBondContact O-CA 3.46Å; Y132-K146 PolarHBondContact O-N 2.93Å; Y132-Y177 AromaticContact CD2-CD1 3.96Å; Y132-Y177 HydrophobicContact CD2-CD1 3.96Å; Y132-Y177 HydrophobicContact CD2-CE1 4.41Å; Y132-Y177 HydrophobicContact CD2-CG 4.07Å; Y132-Y177 HydrophobicContact CG-CD1 4.09Å; Y132-Y177 HydrophobicContact CG-CE1 4.31Å
133D84.2Confident75.3Confident112 Ų11275.7 Ų75.760%0.59940%0.403SS*.  trans-78.5141.516453.9-75000110.8F144D133-F144 CarbonylContact C-O 3.52Å; D133-F144 WeakPolarHBondContact CA-O 3.37Å
134F81.8Confident77Confident31 Ų3168.1 Ų68.114%0.13636%0.362CS..BIsolated β-bridgetrans-137.6110.1178.4-176.6-113.1000107.7G136 D141 L142 P143 F144 W160 P174F134-G136 PolarHBondContact O-N 2.89Å; F134-D141 HydrophobicContact CE1-CB 3.83Å; F134-D141 HydrophobicContact CZ-CB 4.34Å; F134-L142 WeakPolarHBondContact CD1-O 3.23Å; F134-P143 CarbonylContact O-C 3.57Å; F134-P143 WeakPolarHBondContact O-CA 3.45Å; F134-F144 HydrophobicContact CB-CD1 4.01Å; F134-F144 HydrophobicContact CB-CD2 3.84Å; F134-F144 HydrophobicContact CB-CE1 3.6Å; F134-F144 HydrophobicContact CB-CE2 3.45Å; F134-F144 VanDerWaalsContact CB-CE2 3.45Å; F134-F144 HydrophobicContact CB-CG 4.12Å; F134-F144 HydrophobicContact CB-CZ 3.32Å; F134-F144 HydrophobicContact CD1-CD1 4.16Å; F134-F144 AromaticContact CD1-CE1 3.66Å; F134-F144 HydrophobicContact CD1-CE1 3.66Å; F134-F144 HydrophobicContact CD1-CZ 4.14Å; F134-F144 AromaticContact CG-CE1 3.9Å; F134-F144 HydrophobicContact CG-CE1 3.9Å; F134-F144 HydrophobicContact CG-CE2 4.49Å; F134-F144 AromaticContact CG-CZ 3.9Å; F134-F144 HydrophobicContact CG-CZ 3.9Å; F134-F144 PolarHBondContact N-O 3.25Å; F134-F144 PolarHBondContact O-N 3.14Å; F134-F144 VanDerWaalsContact O-O 3.13Å; F134-W160 HydrophobicContact CE1-CZ3 4.41Å; F134-W160 AromaticContact CZ-CH2 3.99Å; F134-W160 HydrophobicContact CZ-CH2 3.99Å; F134-W160 HydrophobicContact CZ-CZ3 4.04Å; F134-P174 HydrophobicContact CD2-CG 4.25Å; F134-P174 HydrophobicContact CE2-CG 4.2Å; F134-P174 HydrophobicContact CZ-CG 4.4Å
135P76Confident78.4Confident112 Ų11269 Ų6973%0.72736%0.36SS*.  trans-76.3-4.5-175.827.9-33.3000114.4P143P135-P143 WeakPolarHBondContact O-CB 3.48Å
136G68.6Low79.4Confident23 Ų2374.1 Ų74.124%0.23738%0.38CS..  trans69.1115.4-175.200000111.1F134F134-G136 PolarHBondContact O-N 2.89Å
137N65.6Low79.7Confident139 Ų13973.6 Ų73.674%0.74339%0.39SS*.SBendtrans-92.6-33-178.2-174.564.8000111.3D141N137-D141 PolarHBondContact N-OD2 2.81Å
138D64.4Low79.8Confident101 Ų10172.1 Ų72.154%0.5439%0.386SS..SBendtrans-111.9158.2-176.5-71-91.1000111.7E140 D141D138-E140 PolarHBondContact O-N 2.67Å; D138-E140 VanDerWaalsContact O-N 3.16Å; D138-D141 WeakPolarHBondContact CB-OD2 3.33Å; D138-D141 PolarHBondContact N-OD2 2.88Å; D138-D141 WeakPolarHBondContact O-CB 3.18Å; D138-D141 PolarHBondContact O-N 3.06Å
139A69.9Low79.8Confident104 Ų10475.5 Ų75.586%0.8640%0.403SS*.THydrogen-bonded Turntrans-63.8-20.5179.800000112.9
140E71.8Confident79.7Confident158 Ų15870.6 Ų70.674%0.73838%0.384SS*.THydrogen-bonded Turntrans-89.8-11.4177.1-57.8-165.995.900112.8D138 G171 M172D138-E140 PolarHBondContact O-N 2.67Å; D138-E140 VanDerWaalsContact O-N 3.16Å; E140-G171 CarbonylContact O-C 3.56Å; E140-G171 WeakPolarHBondContact O-CA 3.35Å; E140-M172 PolarHBondContact O-N 2.78Å
141D80.5Confident79.6Confident14 Ų1471.5 Ų71.58%0.07539%0.39CS..BIsolated β-bridgetrans-78.4141.3178-74.9-36.7000111.6F134 N137 D138 P143 W160F134-D141 HydrophobicContact CE1-CB 3.83Å; F134-D141 HydrophobicContact CZ-CB 4.34Å; N137-D141 PolarHBondContact N-OD2 2.81Å; D138-D141 WeakPolarHBondContact CB-OD2 3.33Å; D138-D141 PolarHBondContact N-OD2 2.88Å; D138-D141 WeakPolarHBondContact O-CB 3.18Å; D138-D141 PolarHBondContact O-N 3.06Å; D141-P143 WeakPolarHBondContact O-CD 3.35Å; D141-W160 WeakPolarHBondContact OD1-CZ3 3.18Å
142L81.1Confident79.6Confident0 Ų069.3 Ų69.30%038%0.378CS..  trans-91.5108.8171.3-173.872.3000109.7F134 F144 L150 A163 N165 R169 M172 I173F134-L142 WeakPolarHBondContact CD1-O 3.23Å; L142-F144 WeakPolarHBondContact O-CD1 3.16Å; L142-F144 PolarHBondContact O-N 3.05Å; L142-L150 HydrophobicContact CD2-CD1 4.03Å; L142-L150 HydrophobicContact CD2-CD2 3.9Å; L142-L150 HydrophobicContact CD2-CG 4.47Å; L142-A163 HydrophobicContact CD2-CB 4.1Å; L142-A163 WeakPolarHBondContact CD2-O 3.21Å; L142-N165 HydrophobicContact CD1-CB 4.08Å; L142-N165 HydrophobicContact CD2-CB 4.09Å; L142-N165 HydrophobicContact CG-CB 4.37Å; L142-R169 HydrophobicContact CD1-CB 3.72Å; L142-R169 HydrophobicContact CD1-CG 3.76Å; L142-R169 WeakPolarHBondContact CD1-O 3.48Å; L142-M172 PolarHBondContact N-O 2.9Å; L142-I173 HydrophobicContact CB-CG2 3.69Å; L142-I173 HydrophobicContact CD2-CG2 3.81Å; L142-I173 HydrophobicContact CG-CG2 4.27Å
143P82.7Confident79.6Confident34 Ų3467.1 Ų67.122%0.22137%0.374CS..  trans-68135.2170.726.2-33.3000111F134 P135 D141 R169F134-P143 CarbonylContact O-C 3.57Å; F134-P143 WeakPolarHBondContact O-CA 3.45Å; P135-P143 WeakPolarHBondContact O-CB 3.48Å; D141-P143 WeakPolarHBondContact O-CD 3.35Å; P143-R169 VanDerWaalsContact CG-NH1 3.27Å
144F84.8Confident79.2Confident6 Ų668 Ų683%0.02638%0.375CS..BIsolated β-bridgetrans-142.9156.6178.154.9-101.3000111T130 Y132 D133 F134 L142 L150 I173 P174 V178T130-F144 VanDerWaalsContact CB-CD2 3.43Å; T130-F144 HydrophobicContact CG2-CB 3.83Å; T130-F144 HydrophobicContact CG2-CD1 4.16Å; T130-F144 HydrophobicContact CG2-CD2 3.2Å; T130-F144 HydrophobicContact CG2-CE2 3.7Å; T130-F144 HydrophobicContact CG2-CG 3.46Å; T130-F144 VanDerWaalsContact CG2-CG 3.46Å; T130-F144 HydrophobicContact CG2-CZ 4.38Å; Y132-F144 VanDerWaalsContact O-CD2 3.3Å; Y132-F144 WeakPolarHBondContact O-CD2 3.3Å; Y132-F144 VanDerWaalsContact O-CE2 3.23Å; Y132-F144 WeakPolarHBondContact O-CE2 3.37Å; D133-F144 CarbonylContact C-O 3.52Å; D133-F144 WeakPolarHBondContact CA-O 3.37Å; F134-F144 HydrophobicContact CB-CD1 4.01Å; F134-F144 HydrophobicContact CB-CD2 3.84Å; F134-F144 HydrophobicContact CB-CE1 3.6Å; F134-F144 HydrophobicContact CB-CE2 3.45Å; F134-F144 VanDerWaalsContact CB-CE2 3.45Å; F134-F144 HydrophobicContact CB-CG 4.12Å; F134-F144 HydrophobicContact CB-CZ 3.32Å; F134-F144 HydrophobicContact CD1-CD1 4.16Å; F134-F144 AromaticContact CD1-CE1 3.66Å; F134-F144 HydrophobicContact CD1-CE1 3.66Å; F134-F144 HydrophobicContact CD1-CZ 4.14Å; F134-F144 AromaticContact CG-CE1 3.9Å; F134-F144 HydrophobicContact CG-CE1 3.9Å; F134-F144 HydrophobicContact CG-CE2 4.49Å; F134-F144 AromaticContact CG-CZ 3.9Å; F134-F144 HydrophobicContact CG-CZ 3.9Å; F134-F144 PolarHBondContact N-O 3.25Å; F134-F144 PolarHBondContact O-N 3.14Å; F134-F144 VanDerWaalsContact O-O 3.13Å; L142-F144 WeakPolarHBondContact O-CD1 3.16Å; L142-F144 PolarHBondContact O-N 3.05Å; F144-L150 HydrophobicContact CB-CD1 4.13Å; F144-L150 HydrophobicContact CB-CD2 4.28Å; F144-L150 HydrophobicContact CD1-CD1 3.83Å; F144-L150 HydrophobicContact CE1-CD1 4.5Å; F144-L150 HydrophobicContact CG-CD1 4.06Å; F144-I173 HydrophobicContact CD1-CB 4.33Å; F144-I173 HydrophobicContact CD1-CG2 3.56Å; F144-I173 HydrophobicContact CE1-CB 3.71Å; F144-I173 HydrophobicContact CE1-CG2 3.43Å; F144-I173 VanDerWaalsContact CE1-CG2 3.43Å; F144-P174 HydrophobicContact CZ-CG 4.33Å; F144-V178 HydrophobicContact CZ-CG1 4.32Å
145K85.1Confident79.1Confident155 Ų15570.4 Ų70.467%0.67439%0.386SS*.  trans-99.7156.8171.5-69.3-176.3177.8-177.20110.6T130 Y132 G147 E148T130-K145 PolarHBondContact OG1-O 2.84Å; Y132-K145 CarbonylContact O-C 3.42Å; K145-G147 PolarHBondContact O-N 2.9Å; K145-E148 HydrophobicContact CB-CG 4.07Å; K145-E148 PolarHBondContact N-OE2 2.79Å; K145-E148 WeakPolarHBondContact O-CB 3.31Å; K145-E148 WeakPolarHBondContact O-CG 3.3Å; K145-E148 PolarHBondContact O-N 3.35Å
146K85.7Confident78.4Confident156 Ų15667.6 Ų67.668%0.67837%0.367SS*.THydrogen-bonded Turntrans-52.1130.6169.3172.3173.9179.9-171.60110.8L131 Y132L131-K146 VanDerWaalsContact O-CD 3.26Å; L131-K146 WeakPolarHBondContact O-CD 3.47Å; L131-K146 WeakPolarHBondContact O-CG 3.41Å; Y132-K146 WeakPolarHBondContact O-CA 3.46Å; Y132-K146 PolarHBondContact O-N 2.93Å
147G82.5Confident78.4Confident48 Ų4871.3 Ų71.350%0.49538%0.378SS..THydrogen-bonded Turntrans87.52.817800000115.1T130 K145T130-G147 WeakPolarHBondContact O-CA 3.36Å; T130-G147 PolarHBondContact O-N 2.79Å; T130-G147 PolarHBondContact OG1-N 2.73Å; T130-G147 VanDerWaalsContact OG1-N 3.15Å; K145-G147 PolarHBondContact O-N 2.9Å
148E85.5Confident78.6Confident31 Ų3173.5 Ų73.515%0.14538%0.384CS..  trans-74.9145.6172.8-68-137.7102.300112.1R129 T130 K145 N165 K166R129-E148 CarbonylContact C-O 3.45Å; R129-E148 WeakPolarHBondContact CA-O 3.31Å; T130-E148 HydrophobicContact CG2-CB 4.39Å; T130-E148 PolarHBondContact N-O 2.85Å; T130-E148 WeakPolarHBondContact OG1-CA 3.46Å; T130-E148 PolarHBondContact OG1-N 3.43Å; T130-E148 PolarHBondContact OG1-O 3.38Å; T130-E148 VanDerWaalsContact OG1-O 3.12Å; K145-E148 HydrophobicContact CB-CG 4.07Å; K145-E148 PolarHBondContact N-OE2 2.79Å; K145-E148 WeakPolarHBondContact O-CB 3.31Å; K145-E148 WeakPolarHBondContact O-CG 3.3Å; K145-E148 PolarHBondContact O-N 3.35Å; E148-N165 PolarHBondContact OE2-ND2 2.74Å; E148-K166 WeakPolarHBondContact OE1-CE 3.03Å; E148-K166 IonicContact OE1-NZ 2.63Å; E148-K166 PolarHBondContact OE1-NZ 2.79Å
149I85.6Confident79.1Confident71 Ų7175.5 Ų75.536%0.36439%0.39SS..EExtended strand (participates in β ladder)trans-99.4121.6174.6-52.9-52.6000108.4Y127 V128 R129 L181Y127-I149 HydrophobicContact CD1-CG2 4.03Å; V128-I149 CarbonylContact O-C 3.51Å; V128-I149 VanDerWaalsContact O-CA 3.31Å; V128-I149 WeakPolarHBondContact O-CA 3.05Å; R129-I149 HydrophobicContact CB-CD1 3.61Å; R129-I149 HydrophobicContact CG-CD1 3.77Å; I149-L181 HydrophobicContact CD1-CD1 3.9Å
150L85.3Confident79.6Confident0 Ų074.3 Ų74.30%036%0.364CS..EExtended strand (participates in β ladder)trans-111.7149.1177.1-48.4173.4000109.3Y127 V128 T130 L142 F144 A163 R164 N165 I173Y127-L150 WeakPolarHBondContact CA-O 3.34Å; V128-L150 HydrophobicContact CG2-CB 3.78Å; V128-L150 PolarHBondContact N-O 3.35Å; V128-L150 PolarHBondContact O-N 2.78Å; T130-L150 HydrophobicContact CG2-CD1 3.4Å; T130-L150 VanDerWaalsContact CG2-CD1 3.4Å; T130-L150 HydrophobicContact CG2-CG 3.78Å; L142-L150 HydrophobicContact CD2-CD1 4.03Å; L142-L150 HydrophobicContact CD2-CD2 3.9Å; L142-L150 HydrophobicContact CD2-CG 4.47Å; F144-L150 HydrophobicContact CB-CD1 4.13Å; F144-L150 HydrophobicContact CB-CD2 4.28Å; F144-L150 HydrophobicContact CD1-CD1 3.83Å; F144-L150 HydrophobicContact CE1-CD1 4.5Å; F144-L150 HydrophobicContact CG-CD1 4.06Å; L150-A163 HydrophobicContact CB-CB 3.93Å; L150-A163 HydrophobicContact CD1-CB 4.34Å; L150-R164 WeakPolarHBondContact CA-O 3.27Å; L150-N165 HydrophobicContact CD2-CB 3.69Å; L150-N165 VanDerWaalsContact CD2-CG 3.49Å; L150-I173 HydrophobicContact CD1-CD1 3.84Å; L150-I173 HydrophobicContact CD1-CG2 3.77Å
151V84.9Confident80.1Confident22 Ų2268.1 Ų68.113%0.13333%0.333CS..EExtended strand (participates in β ladder)trans-99.2117.7176177.30000107.9L125 Y127 I153 A163 R164L125-V151 HydrophobicContact CB-CG1 3.98Å; L125-V151 HydrophobicContact CD2-CG1 3.38Å; L125-V151 HydrophobicContact CG-CG1 3.51Å; Y127-V151 HydrophobicContact CD1-CG2 3.98Å; Y127-V151 HydrophobicContact CE1-CG2 3.74Å; V151-I153 PolarHBondContact O-N 2.96Å; V151-A163 CarbonylContact O-C 3.56Å; V151-A163 WeakPolarHBondContact O-CA 3.48Å; V151-R164 HydrophobicContact CB-CB 4.33Å; V151-R164 PolarHBondContact N-O 3.1Å; V151-R164 PolarHBondContact O-N 3.4Å
152I84.6Confident80.2Confident10 Ų1068.5 Ų68.55%0.05134%0.337CS..EExtended strand (participates in β ladder)trans-70.2121.6173.4-55.2-53.4000108.5E126 V128 K155 W161 A163 I173E126-I152 HydrophobicContact CB-CB 4.04Å; E126-I152 HydrophobicContact CB-CG1 4.29Å; E126-I152 WeakPolarHBondContact O-CB 3.38Å; E126-I152 PolarHBondContact O-N 3.24Å; V128-I152 HydrophobicContact CB-CD1 4.23Å; V128-I152 HydrophobicContact CB-CG1 4.41Å; V128-I152 HydrophobicContact CG1-CD1 3.66Å; V128-I152 HydrophobicContact CG1-CG1 3.53Å; V128-I152 HydrophobicContact CG2-CD1 3.51Å; V128-I152 HydrophobicContact CG2-CG1 4.1Å; I152-K155 HydrophobicContact CG2-CG 3.85Å; I152-W161 HydrophobicContact CD1-CB 4.11Å; I152-W161 HydrophobicContact CD1-CE3 3.8Å; I152-W161 HydrophobicContact CG1-CE3 4.12Å; I152-W161 HydrophobicContact CG2-CB 4.4Å; I152-A163 HydrophobicContact CD1-CB 3.84Å; I152-I173 HydrophobicContact CD1-CD1 3.79Å
153I80.8Confident80.4Confident82 Ų8268.5 Ų68.542%0.42134%0.337SS..EExtended strand (participates in β ladder)trans-93.1-52.2176.3-44.7178.2000108.2V151 S162 R164 V170V151-I153 PolarHBondContact O-N 2.96Å; I153-S162 PolarHBondContact N-O 3.13Å; I153-R164 HydrophobicContact CD1-CB 3.82Å; I153-R164 HydrophobicContact CG1-CB 4.09Å; I153-V170 HydrophobicContact CD1-CB 4.03Å; I153-V170 HydrophobicContact CD1-CG1 3.41Å; I153-V170 VanDerWaalsContact CD1-CG1 3.41Å; I153-V170 HydrophobicContact CD1-CG2 3.45Å; I153-V170 VanDerWaalsContact CD1-CG2 3.45Å
154E76.7Confident80.5Confident130 Ų13072 Ų7261%0.60735%0.346SS*.EExtended strand (participates in β ladder)trans-144.6156.1-176.1-66.2-175.184.600110.8P156 S162E154-P156 VanDerWaalsContact O-CD 3.29Å; E154-P156 WeakPolarHBondContact O-CD 3.39Å; E154-S162 PolarHBondContact N-O 3.4Å; E154-S162 PolarHBondContact O-N 2.76Å
155K78.3Confident80.4Confident83 Ų8372.4 Ų72.436%0.36135%0.348SS..  trans-120.570.3176.6-60.1177.9-177.2148.70108.5E126 I152 E157 W161E126-K155 IonicContact OE1-NZ 3.04Å; E126-K155 PolarHBondContact OE1-NZ 2.88Å; E126-K155 IonicContact OE2-NZ 3.8Å; E126-K155 PolarHBondContact OE2-NZ 2.81Å; I152-K155 HydrophobicContact CG2-CG 3.85Å; K155-E157 PolarHBondContact O-N 2.9Å; K155-W161 HydrophobicContact CB-CG 4.2Å; K155-W161 HydrophobicContact CD-CD2 4.24Å; K155-W161 HydrophobicContact CD-CG 4.48Å; K155-W161 HydrophobicContact CD-CZ2 4.41Å; K155-W161 HydrophobicContact CG-CB 4.43Å; K155-W161 HydrophobicContact CG-CD2 3.98Å; K155-W161 HydrophobicContact CG-CG 3.73Å
156P62.7Low80.1Confident52 Ų5273.3 Ų73.334%0.33835%0.352SS..SBendtrans-63.8-30.2-177.727.8-35.6000111.4E154 M172E154-P156 VanDerWaalsContact O-CD 3.29Å; E154-P156 WeakPolarHBondContact O-CD 3.39Å; P156-M172 HydrophobicContact CG-CE 3.69Å; P156-M172 HydrophobicContact CG-SD 3.83Å
157E67.2Low79.6Confident102 Ų10272.6 Ų72.648%0.47736%0.356SS..SBendtrans-131.8158.3-179.8-58.7-174.779.600111.1K155 Q159 W160 W161 M172K155-E157 PolarHBondContact O-N 2.9Å; E157-Q159 VanDerWaalsContact C-N 3.3Å; E157-W160 CarbonylContact C-O 3.42Å; E157-W160 HydrophobicContact CB-CB 4.2Å; E157-W160 PolarHBondContact N-O 2.84Å; E157-W161 PolarHBondContact O-NE1 2.85Å; E157-M172 WeakPolarHBondContact OE2-CE 3.41Å
158E69.9Low79.3Confident185 Ų18572.3 Ų72.386%0.86435%0.353SS*.SBendtrans-73-26.5178.4-66-17690.800112.5V175E158-V175 WeakPolarHBondContact O-CG2 3.28Å
159Q76Confident78.8Confident142 Ų14277.1 Ų77.166%0.66437%0.37SS*.SBendtrans-104.4-13.1-178.4-61.6-172.1-60.900113.6E157 P174 V175E157-Q159 VanDerWaalsContact C-N 3.3Å; Q159-P174 WeakPolarHBondContact O-CA 3.46Å; Q159-V175 VanDerWaalsContact C-CG2 3.46Å; Q159-V175 WeakPolarHBondContact O-CG2 3.5Å; Q159-V175 PolarHBondContact O-N 3.47Å
160W79.2Confident78.6Confident80 Ų8077.7 Ų77.730%0.30338%0.377SS..EExtended strand (participates in β ladder)trans-134.8121.2178.7-66.186.4000110.9F134 D141 E157 M172 I173 P174F134-W160 HydrophobicContact CE1-CZ3 4.41Å; F134-W160 AromaticContact CZ-CH2 3.99Å; F134-W160 HydrophobicContact CZ-CH2 3.99Å; F134-W160 HydrophobicContact CZ-CZ3 4.04Å; D141-W160 WeakPolarHBondContact OD1-CZ3 3.18Å; E157-W160 CarbonylContact C-O 3.42Å; E157-W160 HydrophobicContact CB-CB 4.2Å; E157-W160 PolarHBondContact N-O 2.84Å; W160-M172 HydrophobicContact CB-CE 3.46Å; W160-M172 VanDerWaalsContact CB-CE 3.46Å; W160-M172 HydrophobicContact CE3-CB 3.85Å; W160-M172 HydrophobicContact CG-CE 4.44Å; W160-M172 HydrophobicContact CZ3-CB 4.38Å; W160-I173 VanDerWaalsContact CA-O 3.3Å; W160-I173 WeakPolarHBondContact CA-O 3.39Å; W160-P174 HydrophobicContact CE3-CB 4.4Å; W160-P174 HydrophobicContact CH2-CB 4.49Å; W160-P174 HydrophobicContact CH2-CG 4.48Å; W160-P174 HydrophobicContact CZ3-CB 4.4Å; W160-P174 HydrophobicContact CZ3-CG 4.3Å
161W83.4Confident78.5Confident28 Ų2878.1 Ų78.111%0.10638%0.381CS..EExtended strand (participates in β ladder)trans-109143177-65-15.8000110.3V128 I152 K155 E157 A163 M172 I173 V175 V178 K180V128-W161 HydrophobicContact CG1-CE3 4.29Å; V128-W161 HydrophobicContact CG1-CZ3 4.05Å; I152-W161 HydrophobicContact CD1-CB 4.11Å; I152-W161 HydrophobicContact CD1-CE3 3.8Å; I152-W161 HydrophobicContact CG1-CE3 4.12Å; I152-W161 HydrophobicContact CG2-CB 4.4Å; K155-W161 HydrophobicContact CB-CG 4.2Å; K155-W161 HydrophobicContact CD-CD2 4.24Å; K155-W161 HydrophobicContact CD-CG 4.48Å; K155-W161 HydrophobicContact CD-CZ2 4.41Å; K155-W161 HydrophobicContact CG-CB 4.43Å; K155-W161 HydrophobicContact CG-CD2 3.98Å; K155-W161 HydrophobicContact CG-CG 3.73Å; E157-W161 PolarHBondContact O-NE1 2.85Å; W161-A163 PolarHBondContact O-N 2.92Å; W161-M172 CarbonylContact O-C 3.5Å; W161-M172 WeakPolarHBondContact O-CA 3.4Å; W161-I173 HydrophobicContact CB-CG1 4.22Å; W161-I173 PolarHBondContact N-O 2.78Å; W161-I173 WeakPolarHBondContact O-CG1 3.39Å; W161-I173 PolarHBondContact O-N 2.83Å; W161-V175 HydrophobicContact CB-CG2 4.37Å; W161-V175 HydrophobicContact CD2-CG2 3.37Å; W161-V175 HydrophobicContact CE3-CG2 3.94Å; W161-V175 HydrophobicContact CG-CG2 3.55Å; W161-V175 HydrophobicContact CH2-CG1 3.58Å; W161-V175 HydrophobicContact CH2-CG2 4.21Å; W161-V175 HydrophobicContact CZ2-CB 4.35Å; W161-V175 HydrophobicContact CZ2-CG1 3.6Å; W161-V175 HydrophobicContact CZ2-CG2 3.73Å; W161-V175 HydrophobicContact CZ3-CG1 4.08Å; W161-V175 HydrophobicContact CZ3-CG2 4.32Å; W161-V178 HydrophobicContact CE3-CG2 4.47Å; W161-V178 HydrophobicContact CZ3-CG2 4.4Å; W161-K180 HydrophobicContact CH2-CD 4.26Å; W161-K180 HydrophobicContact CH2-CG 4.18Å; W161-K180 HydrophobicContact CZ3-CD 4.46Å; W161-K180 HydrophobicContact CZ3-CG 4Å
162S82Confident78.3Confident21 Ų2178.6 Ų78.615%0.14738%0.382CS..EExtended strand (participates in β ladder)trans-77.4115.9168.8-57.70000108.1I153 E154 G171 M172I153-S162 PolarHBondContact N-O 3.13Å; E154-S162 PolarHBondContact N-O 3.4Å; E154-S162 PolarHBondContact O-N 2.76Å; S162-G171 WeakPolarHBondContact CA-O 3.38Å; S162-M172 PolarHBondContact OG-SD 3.05Å
163A85.4Confident78.3Confident0 Ų078.1 Ų78.10%038%0.38CS..EExtended strand (participates in β ladder)trans-123.3158.2178.300000111.7L142 L150 V151 I152 W161 V170 G171 I173L142-A163 HydrophobicContact CD2-CB 4.1Å; L142-A163 WeakPolarHBondContact CD2-O 3.21Å; L150-A163 HydrophobicContact CB-CB 3.93Å; L150-A163 HydrophobicContact CD1-CB 4.34Å; V151-A163 CarbonylContact O-C 3.56Å; V151-A163 WeakPolarHBondContact O-CA 3.48Å; I152-A163 HydrophobicContact CD1-CB 3.84Å; W161-A163 PolarHBondContact O-N 2.92Å; A163-V170 WeakPolarHBondContact O-CA 3.49Å; A163-G171 PolarHBondContact N-O 2.99Å; A163-G171 PolarHBondContact O-N 3.21Å; A163-I173 HydrophobicContact CB-CD1 3.49Å; A163-I173 VanDerWaalsContact CB-CD1 3.49Å; A163-I173 HydrophobicContact CB-CG1 3.68Å; A163-I173 HydrophobicContact CB-CG2 4.13Å
164R84.7Confident78.3Confident108 Ų10874.6 Ų74.641%0.40836%0.362SS..EExtended strand (participates in β ladder)trans-109.8128.9172-161.4179.379.3-1663.4109.6L150 V151 I153 R169 V170L150-R164 WeakPolarHBondContact CA-O 3.27Å; V151-R164 HydrophobicContact CB-CB 4.33Å; V151-R164 PolarHBondContact N-O 3.1Å; V151-R164 PolarHBondContact O-N 3.4Å; I153-R164 HydrophobicContact CD1-CB 3.82Å; I153-R164 HydrophobicContact CG1-CB 4.09Å; R164-R169 CarbonylContact C-O 3.59Å; R164-R169 VanDerWaalsContact CA-O 3.29Å; R164-R169 WeakPolarHBondContact CA-O 3.34Å; R164-V170 HydrophobicContact CB-CG2 4.28Å; R164-V170 HydrophobicContact CG-CG2 3.93Å
165N83Confident78.6Confident14 Ų1469.8 Ų69.88%0.07534%0.341CS..  trans-80.2169.6169.7-157.2-35.1000110.1L142 E148 L150 D167 G168 R169L142-N165 HydrophobicContact CD1-CB 4.08Å; L142-N165 HydrophobicContact CD2-CB 4.09Å; L142-N165 HydrophobicContact CG-CB 4.37Å; E148-N165 PolarHBondContact OE2-ND2 2.74Å; L150-N165 HydrophobicContact CD2-CB 3.69Å; L150-N165 VanDerWaalsContact CD2-CG 3.49Å; N165-D167 PolarHBondContact O-N 3.23Å; N165-D167 VanDerWaalsContact O-N 3.16Å; N165-G168 PolarHBondContact O-N 3.16Å; N165-R169 PolarHBondContact N-O 3.04Å
166K79.5Confident78.9Confident174 Ų17470 Ų7076%0.75735%0.351SS*.THydrogen-bonded Turntrans-57.1-23.2172.673.6-161.9177.1-167.30113.7E148 G168E148-K166 WeakPolarHBondContact OE1-CE 3.03Å; E148-K166 IonicContact OE1-NZ 2.63Å; E148-K166 PolarHBondContact OE1-NZ 2.79Å; K166-G168 PolarHBondContact O-N 2.78Å
167D74.7Confident79.8Confident141 Ų14172.1 Ų72.175%0.75435%0.353SS*.THydrogen-bonded Turntrans-76.6-6.7176.2-155.8-114.2000113.1N165 R169N165-D167 PolarHBondContact O-N 3.23Å; N165-D167 VanDerWaalsContact O-N 3.16Å; D167-R169 PolarHBondContact O-N 3.04Å
168G75.3Confident80.6Confident43 Ų4367.9 Ų67.944%0.44333%0.334SS..SBendtrans82.6-5.1-175.600000114N165 K166 V170N165-G168 PolarHBondContact O-N 3.16Å; K166-G168 PolarHBondContact O-N 2.78Å; G168-V170 PolarHBondContact O-N 3.18Å
169R75Confident81.2Confident132 Ų13263.4 Ų63.450%0.49831%0.313SS..  trans-63.6130.3171.6-162.2176.4-161.6179.13.2109.8L142 P143 R164 N165 D167L142-R169 HydrophobicContact CD1-CB 3.72Å; L142-R169 HydrophobicContact CD1-CG 3.76Å; L142-R169 WeakPolarHBondContact CD1-O 3.48Å; P143-R169 VanDerWaalsContact CG-NH1 3.27Å; R164-R169 CarbonylContact C-O 3.59Å; R164-R169 VanDerWaalsContact CA-O 3.29Å; R164-R169 WeakPolarHBondContact CA-O 3.34Å; N165-R169 PolarHBondContact N-O 3.04Å; D167-R169 PolarHBondContact O-N 3.04Å
170V81.7Confident81.3Confident83 Ų8361 Ų6150%0.50330%0.301SS..EExtended strand (participates in β ladder)trans-106.3140173.8178.40000108.1I153 A163 R164 G168I153-V170 HydrophobicContact CD1-CB 4.03Å; I153-V170 HydrophobicContact CD1-CG1 3.41Å; I153-V170 VanDerWaalsContact CD1-CG1 3.41Å; I153-V170 HydrophobicContact CD1-CG2 3.45Å; I153-V170 VanDerWaalsContact CD1-CG2 3.45Å; A163-V170 WeakPolarHBondContact O-CA 3.49Å; R164-V170 HydrophobicContact CB-CG2 4.28Å; R164-V170 HydrophobicContact CG-CG2 3.93Å; G168-V170 PolarHBondContact O-N 3.18Å
171G83.4Confident80.9Confident8 Ų860.4 Ų60.48%0.08230%0.303CS..EExtended strand (participates in β ladder)trans-174.9178.8172.200000111.5E140 S162 A163E140-G171 CarbonylContact O-C 3.56Å; E140-G171 WeakPolarHBondContact O-CA 3.35Å; S162-G171 WeakPolarHBondContact CA-O 3.38Å; A163-G171 PolarHBondContact N-O 2.99Å; A163-G171 PolarHBondContact O-N 3.21Å
172M81.3Confident79.7Confident33 Ų3364.4 Ų64.416%0.16333%0.33CS..EExtended strand (participates in β ladder)trans-78135.1-180-63.6-67.3-85.400109.9E140 L142 P156 E157 W160 W161 S162E140-M172 PolarHBondContact O-N 2.78Å; L142-M172 PolarHBondContact N-O 2.9Å; P156-M172 HydrophobicContact CG-CE 3.69Å; P156-M172 HydrophobicContact CG-SD 3.83Å; E157-M172 WeakPolarHBondContact OE2-CE 3.41Å; W160-M172 HydrophobicContact CB-CE 3.46Å; W160-M172 VanDerWaalsContact CB-CE 3.46Å; W160-M172 HydrophobicContact CE3-CB 3.85Å; W160-M172 HydrophobicContact CG-CE 4.44Å; W160-M172 HydrophobicContact CZ3-CB 4.38Å; W161-M172 CarbonylContact O-C 3.5Å; W161-M172 WeakPolarHBondContact O-CA 3.4Å; S162-M172 PolarHBondContact OG-SD 3.05Å
173I83.5Confident78.1Confident0 Ų072 Ų720%036%0.356CS..EExtended strand (participates in β ladder)trans-123.8137.9173.956.5160.3000110.3V128 L142 F144 L150 I152 W160 W161 A163 V175 V178V128-I173 HydrophobicContact CG2-CD1 3.88Å; L142-I173 HydrophobicContact CB-CG2 3.69Å; L142-I173 HydrophobicContact CD2-CG2 3.81Å; L142-I173 HydrophobicContact CG-CG2 4.27Å; F144-I173 HydrophobicContact CD1-CB 4.33Å; F144-I173 HydrophobicContact CD1-CG2 3.56Å; F144-I173 HydrophobicContact CE1-CB 3.71Å; F144-I173 HydrophobicContact CE1-CG2 3.43Å; F144-I173 VanDerWaalsContact CE1-CG2 3.43Å; L150-I173 HydrophobicContact CD1-CD1 3.84Å; L150-I173 HydrophobicContact CD1-CG2 3.77Å; I152-I173 HydrophobicContact CD1-CD1 3.79Å; W160-I173 VanDerWaalsContact CA-O 3.3Å; W160-I173 WeakPolarHBondContact CA-O 3.39Å; W161-I173 HydrophobicContact CB-CG1 4.22Å; W161-I173 PolarHBondContact N-O 2.78Å; W161-I173 WeakPolarHBondContact O-CG1 3.39Å; W161-I173 PolarHBondContact O-N 2.83Å; A163-I173 HydrophobicContact CB-CD1 3.49Å; A163-I173 VanDerWaalsContact CB-CD1 3.49Å; A163-I173 HydrophobicContact CB-CG1 3.68Å; A163-I173 HydrophobicContact CB-CG2 4.13Å; I173-V175 PolarHBondContact O-N 2.77Å; I173-V178 HydrophobicContact CD1-CB 4.36Å; I173-V178 HydrophobicContact CD1-CG1 3.71Å; I173-V178 HydrophobicContact CD1-CG2 3.93Å
174P81.4Confident75.7Confident8 Ų876.8 Ų76.85%0.05239%0.389CS..EExtended strand (participates in β ladder)trans-69.3120.7172.920.6-23.4000109.6F134 F144 Q159 W160 P176 Y177F134-P174 HydrophobicContact CD2-CG 4.25Å; F134-P174 HydrophobicContact CE2-CG 4.2Å; F134-P174 HydrophobicContact CZ-CG 4.4Å; F144-P174 HydrophobicContact CZ-CG 4.33Å; Q159-P174 WeakPolarHBondContact O-CA 3.46Å; W160-P174 HydrophobicContact CE3-CB 4.4Å; W160-P174 HydrophobicContact CH2-CB 4.49Å; W160-P174 HydrophobicContact CH2-CG 4.48Å; W160-P174 HydrophobicContact CZ3-CB 4.4Å; W160-P174 HydrophobicContact CZ3-CG 4.3Å; P174-P176 VanDerWaalsContact C-N 3.33Å; P174-P176 HydrophobicContact CB-CG 4.34Å; P174-Y177 HydrophobicContact CB-CD2 3.94Å; P174-Y177 HydrophobicContact CB-CG 4.34Å; P174-Y177 HydrophobicContact CG-CD1 4.42Å; P174-Y177 HydrophobicContact CG-CD2 3.85Å; P174-Y177 HydrophobicContact CG-CG 3.82Å; P174-Y177 WeakPolarHBondContact O-CB 3.43Å; P174-Y177 PolarHBondContact O-N 3.03Å
175V83.8Confident73.2Confident28 Ų2876.1 Ų76.117%0.1740%0.401CS..G310 helixtrans-49.7-43.7173.6179.20000113.3E158 Q159 W161 I173 Y177 V178E158-V175 WeakPolarHBondContact O-CG2 3.28Å; Q159-V175 VanDerWaalsContact C-CG2 3.46Å; Q159-V175 WeakPolarHBondContact O-CG2 3.5Å; Q159-V175 PolarHBondContact O-N 3.47Å; W161-V175 HydrophobicContact CB-CG2 4.37Å; W161-V175 HydrophobicContact CD2-CG2 3.37Å; W161-V175 HydrophobicContact CE3-CG2 3.94Å; W161-V175 HydrophobicContact CG-CG2 3.55Å; W161-V175 HydrophobicContact CH2-CG1 3.58Å; W161-V175 HydrophobicContact CH2-CG2 4.21Å; W161-V175 HydrophobicContact CZ2-CB 4.35Å; W161-V175 HydrophobicContact CZ2-CG1 3.6Å; W161-V175 HydrophobicContact CZ2-CG2 3.73Å; W161-V175 HydrophobicContact CZ3-CG1 4.08Å; W161-V175 HydrophobicContact CZ3-CG2 4.32Å; I173-V175 PolarHBondContact O-N 2.77Å; V175-Y177 PolarHBondContact O-N 3.22Å; V175-V178 WeakPolarHBondContact O-CG2 3.45Å; V175-V178 PolarHBondContact O-N 3.38Å; V175-V178 VanDerWaalsContact O-N 3.08Å
176P83.3Confident71Confident88 Ų8880.9 Ų80.957%0.57143%0.433SS*.G310 helixtrans-65.2-12.217922.2-32.1000114.4P174P174-P176 VanDerWaalsContact C-N 3.33Å; P174-P176 HydrophobicContact CB-CG 4.34Å
177Y81.8Confident68.9Low96 Ų9680.7 Ų80.738%0.37643%0.434SS..G310 helixtrans-96-0.9179-76.4-126.1000112.4T130 L131 Y132 P174 V175T130-Y177 CarbonylContact C-O 3.52Å; L131-Y177 PolarHBondContact N-O 2.86Å; Y132-Y177 AromaticContact CD2-CD1 3.96Å; Y132-Y177 HydrophobicContact CD2-CD1 3.96Å; Y132-Y177 HydrophobicContact CD2-CE1 4.41Å; Y132-Y177 HydrophobicContact CD2-CG 4.07Å; Y132-Y177 HydrophobicContact CG-CD1 4.09Å; Y132-Y177 HydrophobicContact CG-CE1 4.31Å; P174-Y177 HydrophobicContact CB-CD2 3.94Å; P174-Y177 HydrophobicContact CB-CG 4.34Å; P174-Y177 HydrophobicContact CG-CD1 4.42Å; P174-Y177 HydrophobicContact CG-CD2 3.85Å; P174-Y177 HydrophobicContact CG-CG 3.82Å; P174-Y177 WeakPolarHBondContact O-CB 3.43Å; P174-Y177 PolarHBondContact O-N 3.03Å; V175-Y177 PolarHBondContact O-N 3.22Å
178V85Confident66.9Low13 Ų1377.3 Ų77.38%0.07943%0.432CS..EExtended strand (participates in β ladder)trans-131.3155.9-178.2-55.80000111.7V128 R129 T130 F144 W161 I173 V175V128-V178 HydrophobicContact CB-CB 4Å; V128-V178 HydrophobicContact CB-CG2 4.08Å; V128-V178 HydrophobicContact CG1-CG2 4.2Å; V128-V178 HydrophobicContact CG2-CB 4.01Å; V128-V178 HydrophobicContact CG2-CG1 4.28Å; V128-V178 HydrophobicContact CG2-CG2 4.12Å; R129-V178 CarbonylContact O-C 3.55Å; R129-V178 WeakPolarHBondContact O-CA 3.44Å; T130-V178 HydrophobicContact CG2-CG1 3.78Å; F144-V178 HydrophobicContact CZ-CG1 4.32Å; W161-V178 HydrophobicContact CE3-CG2 4.47Å; W161-V178 HydrophobicContact CZ3-CG2 4.4Å; I173-V178 HydrophobicContact CD1-CB 4.36Å; I173-V178 HydrophobicContact CD1-CG1 3.71Å; I173-V178 HydrophobicContact CD1-CG2 3.93Å; V175-V178 WeakPolarHBondContact O-CG2 3.45Å; V175-V178 PolarHBondContact O-N 3.38Å; V175-V178 VanDerWaalsContact O-N 3.08Å
179E81.6Confident65.1Low91 Ų9184.9 Ų84.943%0.42545%0.453SS..EExtended strand (participates in β ladder)trans-124.1128.4178.7-175.6176.475.200108.9V128 R129 L131 L181V128-E179 CarbonylContact C-O 3.52Å; V128-E179 VanDerWaalsContact CA-O 3.23Å; V128-E179 WeakPolarHBondContact CA-O 3.33Å; R129-E179 IonicContact CZ-OE1 3.64Å; R129-E179 PolarHBondContact N-O 2.86Å; R129-E179 IonicContact NE-OE1 3.86Å; R129-E179 IonicContact NH2-OE1 3.88Å; R129-E179 PolarHBondContact NH2-OE1 2.99Å; R129-E179 PolarHBondContact O-N 3.11Å; L131-E179 HydrophobicContact CD1-CB 4.23Å; L131-E179 HydrophobicContact CD2-CB 4.12Å; L131-E179 HydrophobicContact CG-CB 4.2Å; E179-L181 PolarHBondContact O-N 3.02Å; E179-L181 VanDerWaalsContact O-N 3.15Å
180K79.3Confident63.3Low92 Ų9288.1 Ų88.140%0.447%0.474SS..EExtended strand (participates in β ladder)trans-62.2118.1177.6-68.5-171.2-178.9-162.80110.7E126 V128 W161 V182E126-K180 WeakPolarHBondContact OE1-CE 3.32Å; E126-K180 IonicContact OE1-NZ 2.69Å; E126-K180 PolarHBondContact OE1-NZ 2.97Å; V128-K180 HydrophobicContact CG1-CG 4.08Å; W161-K180 HydrophobicContact CH2-CD 4.26Å; W161-K180 HydrophobicContact CH2-CG 4.18Å; W161-K180 HydrophobicContact CZ3-CD 4.46Å; W161-K180 HydrophobicContact CZ3-CG 4Å; K180-V182 VanDerWaalsContact C-N 3.31Å; K180-V182 PolarHBondContact O-N 2.86Å; K180-V182 VanDerWaalsContact O-N 3.1Å
181L70.5Confident61.2Low68 Ų6887.6 Ų87.636%0.35649%0.485SS..EExtended strand (participates in β ladder)trans-85.781.8172.4-149127.5000107.1Y127 R129 I149 E179 R183Y127-L181 WeakPolarHBondContact O-CA 3.05Å; Y127-L181 PolarHBondContact O-N 2.97Å; R129-L181 HydrophobicContact CB-CD1 3.87Å; I149-L181 HydrophobicContact CD1-CD1 3.9Å; E179-L181 PolarHBondContact O-N 3.02Å; E179-L181 VanDerWaalsContact O-N 3.15Å; L181-R183 PolarHBondContact O-N 3.19Å
182V56.7Low59.1Low112 Ų11294.4 Ų94.468%0.67952%0.519SS*.  trans-57.3116.4164.5-70.20000106.1K180 S184K180-V182 VanDerWaalsContact C-N 3.31Å; K180-V182 PolarHBondContact O-N 2.86Å; K180-V182 VanDerWaalsContact O-N 3.1Å; V182-S184 PolarHBondContact O-N 3.44Å
183R48.9Very low57.4Low180 Ų180104 Ų10468%0.67955%0.554SS**  trans-62.491.8163.5-74-171.2-176.5-177.11.9104.8Y127 L181 S185Y127-R183 VanDerWaalsContact CZ-NH2 3.3Å; Y127-R183 PolarHBondContact OH-NH2 2.85Å; Y127-R183 VanDerWaalsContact OH-NH2 3.16Å; L181-R183 PolarHBondContact O-N 3.19Å; R183-S185 VanDerWaalsContact C-N 3.26Å; R183-S185 PolarHBondContact O-N 3.43Å
184S36Very low55.5Low100 Ų100111.2 Ų111.270%0.69959%0.593SS**  trans-55.3104164.4-67.90000105V182 P186V182-S184 PolarHBondContact O-N 3.44Å; S184-P186 WeakPolarHBondContact O-CD 3.31Å
185S31.5Very low54.2Low95 Ų95114.9 Ų114.966%0.66462%0.618SS**  trans-46.3118.7169.7-156.90000106.3R183 H187R183-S185 VanDerWaalsContact C-N 3.26Å; R183-S185 PolarHBondContact O-N 3.43Å; S185-H187 PolarHBondContact O-N 3.11Å
186P36.2Very low52.3Low114 Ų114120.9 Ų120.974%0.7465%0.649SS**SBendtrans-79.470-168.632.1-34.8000109.1S184S184-P186 WeakPolarHBondContact O-CD 3.31Å
187H36.5Very low50.8Low170 Ų170121.7 Ų121.779%0.78766%0.657SS**  trans-144.588.5175-66.4104.9000109.4S185S185-H187 PolarHBondContact O-N 3.11Å
188G33.4Very low48.8Very low69 Ų69128.4 Ų128.471%0.71168%0.683SS**SBendtrans148.679.616400000116.1
189K36.9Very low46.7Very low202 Ų202131.3 Ų131.388%0.87872%0.716SS**  trans56.294.2140.8-56.5-176.9178.1-176.70116.3
190H37.8Very low45.1Very low201 Ų201134.7 Ų134.793%0.93174%0.736SS**  51.8109.486.6-134.8-82.8000114.6
191G35.8Very low43.5Very low72 Ų72135 Ų13574%0.74275%0.747SS**  trans98.6132.816600000114
192N40.4Very low42.4Very low150 Ų150140 Ų14080%0.80277%0.769SS**  cis-172.3107.413.7-173.338.8000106.1
193R46Very low41.9Very low234 Ų234139.7 Ų139.788%0.88377%0.769SS**  63.8105.897.8-134.2174.6-171.5175.21.3115.8
194N42.4Very low41.6Very low153 Ų153135 Ų13582%0.81877%0.769SS**  trans-76.7140.9166.1-175.426.7000111
195S53.7Low42Very low85 Ų85139 Ų13959%0.59478%0.776SS**  trans64.7120.5153-138.30000121.5
196N45.4Very low42.5Very low153 Ų153137.5 Ų137.582%0.81877%0.769SS**  trans63.2111.5147.9-74.78.4000119.9
197S50.5Low42.7Very low105 Ų105142.8 Ų142.873%0.73478%0.776SS**  148115.5107.9-1600000113
198Y41.4Very low43Very low237 Ų237139 Ų13993%0.92978%0.775SS**  trans57114.3163.3-72.9-73.7000121.8
199G38.9Very low43Very low75 Ų75144.6 Ų144.677%0.77378%0.782SS**  trans147.760.7154.500000119.7
200I50Low43.2Very low162 Ų162139.2 Ų139.283%0.83177%0.768SS**  trans11.1143.3141.7-50.9-172.7000119.1
201P44.7Very low43.1Very low98 Ų98137.6 Ų137.664%0.63676%0.761SS**  cis-145.8172.4-4343.1-21.8000116
202E46.9Very low43.2Very low174 Ų174139.4 Ų139.481%0.81376%0.757SS**  trans67.6160.9139.2-91.4-169.158.300123.9
203P45.9Very low43.1Very low104 Ų104138 Ų13868%0.67575%0.754SS**  -138.6172.8-57.533.6-13.5000113.7
204A44.2Very low42.9Very low83 Ų83133.7 Ų133.769%0.68675%0.754SS**  143.2119.8124.800000114.7
205H44.1Very low42.7Very low184 Ų184131.4 Ų131.485%0.85275%0.748SS**  trans69.8139.7138.8-83.2-118.1000120.1
206A40.5Very low42Very low63 Ų63135.4 Ų135.452%0.52176%0.762SS.*  cis-177.9162.4-11.300000109.4
207Y42.1Very low41.8Very low224 Ų224133.8 Ų133.888%0.87876%0.759SS**  trans70140.8161.6-63.4-83.1000119.2
208A41.6Very low41.2Very low92 Ų92133.7 Ų133.776%0.7677%0.765SS**  cis-177.1144.9-18.200000107.8
209Q33.8Very low41.4Very low185 Ų185129.5 Ų129.586%0.86476%0.764SS**  trans-99.8-163.6166.4-129.6-174.813.100107.9
210P42.2Very low41.4Very low89 Ų89131.7 Ų131.758%0.57877%0.768SS**  cis-143.2-159.2-1928.2-0.5000113.9
211Q35.4Very low40.8Very low167 Ų167127.3 Ų127.378%0.7876%0.762SS**  trans87.4146.2154.5-62.6173.416.900119
212T38.1Very low41.1Very low110 Ų110128.6 Ų128.668%0.67577%0.773SS**  cis-177.8146.84.426.20000111.2
213T36.8Very low40.6Very low121 Ų121126.5 Ų126.574%0.74278%0.775SS**  trans46.4127.8141.362.60000125.2
214T43.2Very low40Very low144 Ų144125.1 Ų125.188%0.88378%0.78SS**  -179.3155.7125.316.90000114.9
215P38.5Very low39.7Very low105 Ų105125.7 Ų125.768%0.68278%0.784SS**  trans-123.5158.8-169.536.1-18000119.5
216L37.1Very low39.1Very low168 Ų168121.6 Ų121.688%0.8878%0.782SS**  trans64.2165.5153.7-63.1162.8000120.8
217P42.5Very low39.4Very low119 Ų119126.2 Ų126.277%0.77380%0.797SS**  cis-138.2171.51.637.2-15.3000119.2
218A38.2Very low39.4Very low104 Ų104121.4 Ų121.486%0.8679%0.79SS**  trans44.5121.4145.100000125.5
219V44.3Very low39.2Very low148 Ų148122.4 Ų122.490%0.89779%0.789SS**  trans-152.3141.5136.177.50000111.8
220S39.3Very low39.5Very low122 Ų122119.2 Ų119.285%0.85378%0.778SS**  trans-80.5154.3-165.4-34.90000115.4
221G38.3Very low39.3Very low69 Ų69120.1 Ų120.171%0.71178%0.783SS**  trans160.183.3157.100000120.2
222S49.5Very low39.5Very low125 Ų125117.1 Ų117.187%0.87478%0.781SS**  trans82.3147.1145.4-2.60000122.6
223P37.4Very low39.5Very low131 Ų131118.3 Ų118.385%0.85179%0.788SS**  trans-110.9148.5-148.638.8-26.2000114
224G32.2Very low39.6Very low75 Ų75120.4 Ų120.477%0.77379%0.79SS**  trans-16185.1176.400000111.9
225A37.8Very low39.3Very low94 Ų94121.4 Ų121.478%0.77779%0.789SS**  trans32.584.4161.500000116.5I227A225-I227 PolarHBondContact O-N 2.99Å; A225-I227 VanDerWaalsContact O-N 3.09Å
226A33Very low39.9Very low98 Ų98119.3 Ų119.381%0.8179%0.787SS**  trans-63.7106.9162.300000109T228A226-T228 PolarHBondContact O-N 3.27Å
227I46.2Very low41Very low161 Ų161114.9 Ų114.983%0.82677%0.768SS**  trans-83.796.1170-35176.5000105.8A225A225-I227 PolarHBondContact O-N 2.99Å; A225-I227 VanDerWaalsContact O-N 3.09Å
228T41.3Very low42.6Very low122 Ų122111.3 Ų111.375%0.74874%0.744SS**PPolyproline II helixtrans-58.1126.9176.1-480000109.1A226 L230A226-T228 PolarHBondContact O-N 3.27Å; T228-L230 PolarHBondContact O-N 3.09Å
229P38.1Very low44.8Very low114 Ų114109 Ų10974%0.7472%0.715SS**PPolyproline II helixtrans-60.9133.9178.822.8-30.9000110.1
230L40.5Very low46.7Very low118 Ų118102 Ų10262%0.61867%0.672SS**PPolyproline II helixtrans-53.5126.3177.1-16281000109T228 S232 I293T228-L230 PolarHBondContact O-N 3.09Å; L230-S232 PolarHBondContact O-N 2.9Å; L230-I293 HydrophobicContact CD1-CD1 3.97Å
231P38.6Very low48.9Very low107 Ų107101.3 Ų101.370%0.69565%0.654SS**  trans-60.9114.7174.523.7-30.8000108.2
232S38.6Very low51.1Low105 Ų10598.1 Ų98.173%0.73462%0.621SS**  trans-52.1142.4168.8-69.20000109.1L230 Q234L230-S232 PolarHBondContact O-N 2.9Å; S232-Q234 PolarHBondContact O-N 2.85Å
233T38.5Very low52.8Low135 Ų13596.7 Ų96.783%0.82860%0.602SS**SBendtrans-62.660.8178.239.80000113.4
234Q38.2Very low54.7Low165 Ų16595.2 Ų95.277%0.77158%0.584SS**  trans-125.9121.1162.3-107.5-176.857.300105.5S232S232-Q234 PolarHBondContact O-N 2.85Å
235N37.8Very low57Low164 Ų16497.2 Ų97.288%0.87757%0.571SS**SBendtrans91.770.4175.5-44.9-69.8000117
236G51.5Low58.6Low61 Ų6195.2 Ų95.263%0.62954%0.544SS*.SBendtrans110168.6149.100000117.8V238G236-V238 PolarHBondContact O-N 2.85Å
237P60.1Low60.5Low75 Ų7596.1 Ų96.149%0.48754%0.539SS..  trans-65.7121.9178.426.8-32.2000110.6F239 K265P237-F239 HydrophobicContact CB-CE2 4.09Å; P237-F239 HydrophobicContact CB-CZ 4.22Å; P237-F239 HydrophobicContact CG-CE2 3.86Å; P237-F239 HydrophobicContact CG-CZ 4.09Å; P237-F239 VanDerWaalsContact O-CD2 3.25Å; P237-F239 WeakPolarHBondContact O-CD2 3.45Å; P237-F239 VanDerWaalsContact O-CE2 3.3Å; P237-F239 WeakPolarHBondContact O-CE2 3.46Å; P237-K265 HydrophobicContact CB-CG 4.34Å
238V75.3Confident61.4Low44 Ų4490 Ų9027%0.26751%0.509SS..EExtended strand (participates in β ladder)trans-79.8130.7175.8178.40000108.9G236 V266 M269 I293G236-V238 PolarHBondContact O-N 2.85Å; V238-V266 HydrophobicContact CB-CB 4.14Å; V238-V266 HydrophobicContact CG1-CB 4.24Å; V238-V266 HydrophobicContact CG1-CG2 4.33Å; V238-V266 WeakPolarHBondContact O-CB 3.09Å; V238-V266 PolarHBondContact O-N 2.81Å; V238-M269 HydrophobicContact CG1-CE 3.76Å; V238-I293 HydrophobicContact CG1-CG2 3.73Å
239F83.7Confident62.2Low57 Ų5788.9 Ų88.925%0.2551%0.506CS..EExtended strand (participates in β ladder)trans-106.5140.8175.7-62.8-90.1000110.2P237 I263 V264 K265 F294 P296P237-F239 HydrophobicContact CB-CE2 4.09Å; P237-F239 HydrophobicContact CB-CZ 4.22Å; P237-F239 HydrophobicContact CG-CE2 3.86Å; P237-F239 HydrophobicContact CG-CZ 4.09Å; P237-F239 VanDerWaalsContact O-CD2 3.25Å; P237-F239 WeakPolarHBondContact O-CD2 3.45Å; P237-F239 VanDerWaalsContact O-CE2 3.3Å; P237-F239 WeakPolarHBondContact O-CE2 3.46Å; F239-I263 HydrophobicContact CB-CG2 4.48Å; F239-I263 HydrophobicContact CD1-CG2 4.04Å; F239-V264 WeakPolarHBondContact CA-O 3.4Å; F239-K265 HydrophobicContact CD1-CB 4.41Å; F239-K265 HydrophobicContact CE1-CB 4.32Å; F239-K265 HydrophobicContact CE1-CG 4.25Å; F239-F294 HydrophobicContact CB-CD1 4.27Å; F239-F294 HydrophobicContact CB-CE1 3.69Å; F239-F294 HydrophobicContact CB-CE2 4.48Å; F239-F294 HydrophobicContact CB-CZ 3.81Å; F239-F294 PolarHBondContact O-N 3.22Å; F239-P296 HydrophobicContact CD2-CG 3.59Å; F239-P296 HydrophobicContact CE2-CG 3.91Å; F239-P296 HydrophobicContact CG-CG 4.39Å
240A85.2Confident62.9Low0 Ų088.4 Ų88.40%051%0.511CS..EExtended strand (participates in β ladder)trans-132133.6176.200000109.7V264 V266 V291 K292A240-V264 PolarHBondContact N-O 3.05Å; A240-V264 PolarHBondContact O-N 2.86Å; A240-V266 HydrophobicContact CB-CG2 3.51Å; A240-V291 HydrophobicContact CB-CB 3.91Å; A240-V291 HydrophobicContact CB-CG2 3.92Å; A240-K292 CarbonylContact C-O 3.49Å; A240-K292 VanDerWaalsContact CA-O 3.31Å; A240-K292 WeakPolarHBondContact CA-O 3.36Å
241K84.6Confident63.6Low108 Ų10893.4 Ų93.447%0.4752%0.523SS..EExtended strand (participates in β ladder)trans-92125.6176.7-175.6173.4-177178.90108.7I243 D262 I263 V291 K292 F294K241-I243 PolarHBondContact O-N 3.17Å; K241-D262 CarbonylContact C-O 3.59Å; K241-D262 WeakPolarHBondContact CA-O 3.39Å; K241-I263 HydrophobicContact CB-CD1 4.1Å; K241-I263 HydrophobicContact CD-CD1 4.35Å; K241-I263 HydrophobicContact CG-CD1 3.95Å; K241-V291 CarbonylContact O-C 3.57Å; K241-V291 VanDerWaalsContact O-CA 3.31Å; K241-V291 WeakPolarHBondContact O-CA 3.28Å; K241-K292 PolarHBondContact N-O 3.11Å; K241-K292 PolarHBondContact O-N 2.95Å; K241-F294 HydrophobicContact CB-CD1 3.84Å; K241-F294 HydrophobicContact CB-CE1 4.06Å
242A84.4Confident64.6Low1 Ų191.9 Ų91.91%0.00851%0.509CS..EExtended strand (participates in β ladder)trans-65.5118.1174.600000110L258 E259 G261 D262 H290 V291A242-L258 HydrophobicContact CB-CB 4.1Å; A242-L258 HydrophobicContact CB-CD2 4.41Å; A242-E259 WeakPolarHBondContact CB-O 3.41Å; A242-G261 PolarHBondContact O-N 2.91Å; A242-D262 HydrophobicContact CB-CB 3.97Å; A242-D262 PolarHBondContact N-O 3.32Å; A242-H290 WeakPolarHBondContact CA-O 3.46Å; A242-V291 HydrophobicContact CB-CG1 4.47Å
243I84.7Confident65.9Low95 Ų9596.6 Ų96.649%0.48752%0.517SS..  trans-96.2-13.1176.756.4169.1000111.6K241 H290 K292K241-I243 PolarHBondContact O-N 3.17Å; I243-H290 VanDerWaalsContact CG1-C 3.49Å; I243-H290 VanDerWaalsContact CG1-O 3.32Å; I243-H290 WeakPolarHBondContact CG1-O 3.43Å; I243-H290 PolarHBondContact N-O 2.77Å; I243-K292 HydrophobicContact CG2-CB 3.73Å
244Q77.6Confident67.4Low100 Ų10093.9 Ų93.947%0.46750%0.5SS..SBendtrans-139.4133.4-177.4-167.6159.787.400110.9R246 H290Q244-R246 PolarHBondContact O-N 3.38Å; Q244-H290 HydrophobicContact CB-CB 3.98Å; Q244-H290 PolarHBondContact N-O 2.79Å; Q244-H290 PolarHBondContact OE1-CD2 3.25Å; Q244-H290 PolarHBondContact OE1-CE1 2.74Å; Q244-H290 PolarHBondContact OE1-NE2 2.8Å
245K81.7Confident69.2Low117 Ų11786.8 Ų86.851%0.50947%0.47SS..  trans-67.5129.8177.1-172.4168.7-175149.90109.6V247 L258 E259 V260K245-V247 HydrophobicContact CG-CG2 4.47Å; K245-L258 CarbonylContact C-O 3.44Å; K245-L258 WeakPolarHBondContact CA-O 3.13Å; K245-E259 WeakPolarHBondContact CE-OE2 3.46Å; K245-E259 IonicContact NZ-OE2 2.74Å; K245-E259 PolarHBondContact NZ-OE2 3.18Å; K245-V260 HydrophobicContact CB-CG2 4.09Å
246R71.2Confident71.2Confident53 Ų5379.1 Ų79.120%0.243%0.429CS..BIsolated β-bridgetrans-130.7115.8173.3-175.8174.4176.7-113.410.3109.8Q244 L256 A257 L258 L285Q244-R246 PolarHBondContact O-N 3.38Å; R246-L256 PolarHBondContact NH1-O 2.77Å; R246-L256 VanDerWaalsContact NH1-O 3.11Å; R246-A257 WeakPolarHBondContact O-CA 3.47Å; R246-L258 HydrophobicContact CB-CB 4.09Å; R246-L258 HydrophobicContact CB-CD1 4.46Å; R246-L258 HydrophobicContact CB-CG 4.48Å; R246-L258 PolarHBondContact N-O 2.99Å; R246-L258 PolarHBondContact O-N 3.1Å; R246-L285 PolarHBondContact NH1-O 3.05Å
247V72.1Confident72.6Confident116 Ų11678 Ų7870%0.70341%0.414SS*.  trans-99.6112.3172-175.40000107.6K245K245-V247 HydrophobicContact CG-CG2 4.47Å
248P66Low73.6Confident32 Ų3274.7 Ų74.721%0.20839%0.392CS..  trans-64.4146176.926.9-35.2000109.7A250 A255 A257P248-A250 PolarHBondContact O-N 2.78Å; P248-A255 HydrophobicContact CB-CB 3.49Å; P248-A255 VanDerWaalsContact CB-CB 3.49Å; P248-A257 VanDerWaalsContact CD-CA 3.45Å; P248-A257 VanDerWaalsContact CD-CB 3.44Å; P248-A257 HydrophobicContact CG-CB 3.84Å
249C57.9Low73.8Confident99 Ų9977.5 Ų77.567%0.66940%0.402SS*.  trans-57.4139.8171-76.10000109.5Y251 D252C249-Y251 PolarHBondContact O-N 2.81Å; C249-D252 PolarHBondContact O-N 2.88Å
250A52.3Low73.8Confident104 Ų10479.3 Ų79.386%0.8642%0.417SS*.THydrogen-bonded Turntrans-56.5-16.4-178.100000114.6P248P248-A250 PolarHBondContact O-N 2.78Å
251Y55.8Low73.6Confident223 Ų22381 Ų8188%0.87544%0.435SS*.THydrogen-bonded Turntrans-94-13.3178.2-58.2-79.5000113.8C249 K253C249-Y251 PolarHBondContact O-N 2.81Å; Y251-K253 PolarHBondContact O-N 3.49Å
252D58.6Low73.6Confident75 Ų7577.4 Ų77.440%0.40142%0.421SS..  trans-93.796.5-178-158-60.1000110.7C249 T254 A255C249-D252 PolarHBondContact O-N 2.88Å; D252-T254 PolarHBondContact O-N 2.87Å; D252-T254 WeakPolarHBondContact OD1-CA 3.05Å; D252-T254 PolarHBondContact OD1-N 2.84Å; D252-T254 PolarHBondContact OD1-OG1 3.44Å; D252-A255 HydrophobicContact CB-CB 4.03Å; D252-A255 WeakPolarHBondContact OD1-CB 3.34Å; D252-A255 PolarHBondContact OD1-N 3.14Å
253K66Low73.6Confident205 Ų20581.1 Ų81.189%0.89144%0.44SS*.SBendtrans-73.2-9.9177.7-64.5-176.5179.7-173.50113.2Y251Y251-K253 PolarHBondContact O-N 3.49Å
254T70.5Confident73.6Confident78 Ų7876.6 Ų76.648%0.47942%0.417SS..SBendtrans-98.5-21.6-176.1690000112.2D252 G284 L285D252-T254 PolarHBondContact O-N 2.87Å; D252-T254 WeakPolarHBondContact OD1-CA 3.05Å; D252-T254 PolarHBondContact OD1-N 2.84Å; D252-T254 PolarHBondContact OD1-OG1 3.44Å; T254-G284 CarbonylContact O-C 3.58Å; T254-G284 WeakPolarHBondContact O-CA 3.39Å; T254-L285 PolarHBondContact O-N 3.22Å
255A76.1Confident74Confident16 Ų1676 Ų7613%0.13241%0.413CS..BIsolated β-bridgetrans-81.6131.1-176.700000112.8P248 D252 L285P248-A255 HydrophobicContact CB-CB 3.49Å; P248-A255 VanDerWaalsContact CB-CB 3.49Å; D252-A255 HydrophobicContact CB-CB 4.03Å; D252-A255 WeakPolarHBondContact OD1-CB 3.34Å; D252-A255 PolarHBondContact OD1-N 3.14Å; A255-L285 WeakPolarHBondContact CA-O 3.31Å
256L79.2Confident74.2Confident3 Ų370.9 Ų70.92%0.01639%0.391CS..PPolyproline II helixtrans-81.3132.1175.2-155.969.3000111R246 L258 V264 V279 R282 K283 G284 L285 F286R246-L256 PolarHBondContact NH1-O 2.77Å; R246-L256 VanDerWaalsContact NH1-O 3.11Å; L256-L258 HydrophobicContact CD2-CD2 4Å; L256-L258 HydrophobicContact CG-CD2 4.47Å; L256-V264 HydrophobicContact CD2-CG1 3.83Å; L256-V279 HydrophobicContact CD1-CG1 3.81Å; L256-V279 HydrophobicContact CD2-CB 3.95Å; L256-V279 HydrophobicContact CD2-CG1 3.52Å; L256-V279 HydrophobicContact CG-CG1 3.55Å; L256-R282 HydrophobicContact CD1-CB 4.07Å; L256-R282 WeakPolarHBondContact CD1-O 3.47Å; L256-K283 VanDerWaalsContact CD1-C 3.48Å; L256-G284 VanDerWaalsContact CD1-N 3.34Å; L256-L285 PolarHBondContact N-O 3.41Å; L256-F286 HydrophobicContact CB-CB 4.35Å; L256-F286 HydrophobicContact CB-CD1 4.12Å; L256-F286 HydrophobicContact CD2-CD1 3.65Å; L256-F286 HydrophobicContact CD2-CE1 4.04Å
257A81.7Confident74.6Confident38 Ų3873.4 Ų73.431%0.31441%0.412SS..PPolyproline II helixtrans-77.3126.5168.300000109.9R246 P248 V279R246-A257 WeakPolarHBondContact O-CA 3.47Å; P248-A257 VanDerWaalsContact CD-CA 3.45Å; P248-A257 VanDerWaalsContact CD-CB 3.44Å; P248-A257 HydrophobicContact CG-CB 3.84Å; A257-V279 WeakPolarHBondContact O-CG1 3.31Å
258L80.3Confident74.9Confident5 Ų574.7 Ų74.73%0.02641%0.405CS..BIsolated β-bridgetrans-119.2131.4178.5-61.2177.2000108.7A242 K245 R246 L256 V264 F286 H290 V291A242-L258 HydrophobicContact CB-CB 4.1Å; A242-L258 HydrophobicContact CB-CD2 4.41Å; K245-L258 CarbonylContact C-O 3.44Å; K245-L258 WeakPolarHBondContact CA-O 3.13Å; R246-L258 HydrophobicContact CB-CB 4.09Å; R246-L258 HydrophobicContact CB-CD1 4.46Å; R246-L258 HydrophobicContact CB-CG 4.48Å; R246-L258 PolarHBondContact N-O 2.99Å; R246-L258 PolarHBondContact O-N 3.1Å; L256-L258 HydrophobicContact CD2-CD2 4Å; L256-L258 HydrophobicContact CG-CD2 4.47Å; L258-V264 HydrophobicContact CD2-CG2 3.35Å; L258-F286 HydrophobicContact CD1-CB 3.62Å; L258-F286 HydrophobicContact CD1-CD2 4.06Å; L258-F286 HydrophobicContact CD1-CG 3.9Å; L258-F286 HydrophobicContact CG-CB 4.25Å; L258-H290 HydrophobicContact CD1-CB 4.12Å; L258-V291 HydrophobicContact CD1-CG1 3.83Å
259E81.1Confident75.4Confident103 Ų10375.6 Ų75.648%0.48141%0.407SS..  trans-103.9153.2163.9-164.2147.984.200110.4A242 K245 G261 D262A242-E259 WeakPolarHBondContact CB-O 3.41Å; K245-E259 WeakPolarHBondContact CE-OE2 3.46Å; K245-E259 IonicContact NZ-OE2 2.74Å; K245-E259 PolarHBondContact NZ-OE2 3.18Å; E259-G261 PolarHBondContact O-N 3.45Å; E259-G261 VanDerWaalsContact O-N 3.12Å; E259-D262 WeakPolarHBondContact CB-OD2 3.01Å; E259-D262 PolarHBondContact N-OD2 3.18Å; E259-D262 WeakPolarHBondContact O-CB 3.22Å; E259-D262 PolarHBondContact O-N 3.32Å
260V83.4Confident76Confident94 Ų9473 Ų7357%0.5739%0.386SS*.THydrogen-bonded Turntrans-61.2121.4176.2179.60000108.4K245K245-V260 HydrophobicContact CB-CG2 4.09Å
261G80.4Confident77Confident35 Ų3576 Ų7636%0.36139%0.386SS..THydrogen-bonded Turntrans99.7-9.1-176.600000115.2A242 E259A242-G261 PolarHBondContact O-N 2.91Å; E259-G261 PolarHBondContact O-N 3.45Å; E259-G261 VanDerWaalsContact O-N 3.12Å
262D83.7Confident77.6Confident34 Ų3470.6 Ų70.618%0.18237%0.372CS..  trans-61139175.9-102.9-68.5000112K241 A242 E259 V279 N280K241-D262 CarbonylContact C-O 3.59Å; K241-D262 WeakPolarHBondContact CA-O 3.39Å; A242-D262 HydrophobicContact CB-CB 3.97Å; A242-D262 PolarHBondContact N-O 3.32Å; E259-D262 WeakPolarHBondContact CB-OD2 3.01Å; E259-D262 PolarHBondContact N-OD2 3.18Å; E259-D262 WeakPolarHBondContact O-CB 3.22Å; E259-D262 PolarHBondContact O-N 3.32Å; D262-V279 HydrophobicContact CB-CG2 3.77Å; D262-V279 WeakPolarHBondContact OD1-CG2 3.47Å; D262-N280 PolarHBondContact OD1-ND2 3.46Å
263I86.1Confident78.3Confident79 Ų7967.8 Ų67.841%0.40536%0.361SS..EExtended strand (participates in β ladder)trans-97.8108.4175.5-53.7-53.7000108.6F239 K241 F294F239-I263 HydrophobicContact CB-CG2 4.48Å; F239-I263 HydrophobicContact CD1-CG2 4.04Å; K241-I263 HydrophobicContact CB-CD1 4.1Å; K241-I263 HydrophobicContact CD-CD1 4.35Å; K241-I263 HydrophobicContact CG-CD1 3.95Å; I263-F294 HydrophobicContact CD1-CE1 3.78Å; I263-F294 HydrophobicContact CD1-CZ 3.83Å; I263-F294 HydrophobicContact CG1-CZ 4.47Å; I263-F294 HydrophobicContact CG2-CE1 3.87Å; I263-F294 HydrophobicContact CG2-CZ 3.74Å
264V84.7Confident79Confident0 Ų062.7 Ų62.70%034%0.34CS..EExtended strand (participates in β ladder)trans-97123.4-179.1-167.50000109.3F239 A240 L256 L258 V266 V279 F286 V291F239-V264 WeakPolarHBondContact CA-O 3.4Å; A240-V264 PolarHBondContact N-O 3.05Å; A240-V264 PolarHBondContact O-N 2.86Å; L256-V264 HydrophobicContact CD2-CG1 3.83Å; L258-V264 HydrophobicContact CD2-CG2 3.35Å; V264-V266 PolarHBondContact O-N 3.12Å; V264-V279 HydrophobicContact CG1-CB 4.46Å; V264-V279 HydrophobicContact CG2-CB 4.27Å; V264-V279 HydrophobicContact CG2-CG2 4.22Å; V264-F286 HydrophobicContact CB-CZ 4.4Å; V264-F286 HydrophobicContact CG1-CD1 4.21Å; V264-F286 HydrophobicContact CG1-CE1 3.4Å; V264-F286 VanDerWaalsContact CG1-CE1 3.4Å; V264-F286 HydrophobicContact CG1-CZ 3.66Å; V264-V291 HydrophobicContact CG2-CG1 4.43Å
265K85.9Confident79.6Confident88 Ų8860.4 Ų60.438%0.38332%0.323SS..EExtended strand (participates in β ladder)trans-80.8101.1170.3-175.2-178.8178.8-176.10108.8P237 F239 T267 G277 E278P237-K265 HydrophobicContact CB-CG 4.34Å; F239-K265 HydrophobicContact CD1-CB 4.41Å; F239-K265 HydrophobicContact CE1-CB 4.32Å; F239-K265 HydrophobicContact CE1-CG 4.25Å; K265-T267 PolarHBondContact O-N 3.47Å; K265-T267 PolarHBondContact O-OG1 2.74Å; K265-G277 CarbonylContact O-C 3.49Å; K265-G277 WeakPolarHBondContact O-CA 2.88Å; K265-E278 HydrophobicContact CB-CB 4.48Å; K265-E278 PolarHBondContact N-O 3.28Å; K265-E278 PolarHBondContact O-N 3.38Å
266V85.3Confident80Confident9 Ų962.4 Ų62.46%0.05533%0.33CS..EExtended strand (participates in β ladder)trans-70.3114.3179.9-169.40000108.5V238 A240 V264 M269 W275 F286V238-V266 HydrophobicContact CB-CB 4.14Å; V238-V266 HydrophobicContact CG1-CB 4.24Å; V238-V266 HydrophobicContact CG1-CG2 4.33Å; V238-V266 WeakPolarHBondContact O-CB 3.09Å; V238-V266 PolarHBondContact O-N 2.81Å; A240-V266 HydrophobicContact CB-CG2 3.51Å; V264-V266 PolarHBondContact O-N 3.12Å; V266-M269 HydrophobicContact CG1-CE 4.16Å; V266-M269 HydrophobicContact CG1-CG 3.54Å; V266-W275 HydrophobicContact CG1-CB 4.38Å; V266-W275 HydrophobicContact CG1-CE3 4.21Å; V266-W275 HydrophobicContact CG2-CE3 4.32Å; V266-F286 HydrophobicContact CG2-CZ 4.24Å
267T80.1Confident80.3Confident106 Ų10662.4 Ų62.465%0.6533%0.33SS*.EExtended strand (participates in β ladder)trans-98.6-30.2-178.9-53.60000110.9K265 E276K265-T267 PolarHBondContact O-N 3.47Å; K265-T267 PolarHBondContact O-OG1 2.74Å; T267-E276 PolarHBondContact N-O 3.48Å
268R77.5Confident80.5Confident143 Ų14364.5 Ų64.554%0.5433%0.334SS..EExtended strand (participates in β ladder)trans-144.8132.6173.8-160.2175.8-64153.5-16.5111.2W275 E276R268-W275 CarbonylContact O-C 3.46Å; R268-W275 WeakPolarHBondContact O-CA 3.33Å; R268-E276 HydrophobicContact CB-CB 3.86Å; R268-E276 HydrophobicContact CB-CG 4.27Å; R268-E276 WeakPolarHBondContact CD-OE2 3.15Å; R268-E276 IonicContact CZ-OE2 2.83Å; R268-E276 PolarHBondContact N-O 2.94Å; R268-E276 IonicContact NE-OE2 2.8Å; R268-E276 IonicContact NH1-OE1 3.52Å; R268-E276 IonicContact NH1-OE2 2.75Å; R268-E276 PolarHBondContact NH1-OE2 2.94Å; R268-E276 PolarHBondContact O-N 3.06Å
269M76.4Confident80.7Confident51 Ų5164.6 Ų64.625%0.25133%0.334SS..EExtended strand (participates in β ladder)trans-103.991.9173.7-67.5172141.300108.5V238 V266 W275 I293V238-M269 HydrophobicContact CG1-CE 3.76Å; V266-M269 HydrophobicContact CG1-CE 4.16Å; V266-M269 HydrophobicContact CG1-CG 3.54Å; M269-W275 HydrophobicContact CB-CG 4.43Å; M269-W275 HydrophobicContact CE-CD2 4.37Å; M269-W275 HydrophobicContact CE-CE3 4.05Å; M269-W275 HydrophobicContact CE-CH2 3.76Å; M269-W275 HydrophobicContact CE-CZ2 4.01Å; M269-W275 HydrophobicContact CE-CZ3 3.74Å; M269-W275 HydrophobicContact CG-CD2 4.06Å; M269-W275 HydrophobicContact CG-CE3 4.49Å; M269-W275 HydrophobicContact CG-CG 4.29Å; M269-I293 HydrophobicContact CE-CD1 3.41Å; M269-I293 VanDerWaalsContact CE-CD1 3.41Å; M269-I293 HydrophobicContact CE-CG1 3.87Å
270N71.5Confident80.4Confident45 Ų4566.4 Ų66.424%0.24135%0.347CS..  trans-72.7134.9175.3-60.5-70.6000110.1N272 G273 Q274 E276N270-N272 PolarHBondContact O-N 2.9Å; N270-N272 VanDerWaalsContact O-N 3.13Å; N270-G273 PolarHBondContact O-N 3.42Å; N270-G273 VanDerWaalsContact O-N 3.1Å; N270-Q274 VanDerWaalsContact CB-O 3.24Å; N270-Q274 WeakPolarHBondContact CB-O 3.49Å; N270-Q274 PolarHBondContact ND2-O 3.35Å; N270-E276 PolarHBondContact ND2-OE2 3.33Å
271I72.6Confident80.1Confident166 Ų16665.1 Ų65.185%0.85135%0.353SS*.THydrogen-bonded Turntrans-62.1-17.6176.858.9168.6000113.5G273I271-G273 PolarHBondContact O-N 3.02Å
272N69.4Low79.8Confident109 Ų10972 Ų7258%0.58337%0.368SS*.THydrogen-bonded Turntrans-71.60.8174-64.3-70000113.6N270 Q274N270-N272 PolarHBondContact O-N 2.9Å; N270-N272 VanDerWaalsContact O-N 3.13Å; N272-Q274 VanDerWaalsContact C-N 3.3Å; N272-Q274 PolarHBondContact O-N 3.17Å
273G73.2Confident79.8Confident17 Ų1778.7 Ų78.718%0.17540%0.396CS..SBendtrans82.5-1.4-179.700000115.1N270 I271 P287 F288N270-G273 PolarHBondContact O-N 3.42Å; N270-G273 VanDerWaalsContact O-N 3.1Å; I271-G273 PolarHBondContact O-N 3.02Å; G273-P287 WeakPolarHBondContact O-CA 3.39Å; G273-F288 WeakPolarHBondContact O-CD1 3.15Å; G273-F288 PolarHBondContact O-N 3.32Å
274Q79.5Confident79.6Confident97 Ų9775.5 Ų75.545%0.45338%0.382SS..EExtended strand (participates in β ladder)trans-100.998.2172-66.2-162.283.800110.6N270 N272 L285 F286N270-Q274 VanDerWaalsContact CB-O 3.24Å; N270-Q274 WeakPolarHBondContact CB-O 3.49Å; N270-Q274 PolarHBondContact ND2-O 3.35Å; N272-Q274 VanDerWaalsContact C-N 3.3Å; N272-Q274 PolarHBondContact O-N 3.17Å; Q274-L285 HydrophobicContact CB-CD2 4.33Å; Q274-F286 CarbonylContact C-O 3.53Å
275W84.3Confident79.6Confident30 Ų3077.4 Ų77.411%0.11439%0.392CS..EExtended strand (participates in β ladder)trans-80.3142.9177.5-65.9-0.2000110.9V266 R268 M269 L285 F286 F288 V291 I293V266-W275 HydrophobicContact CG1-CB 4.38Å; V266-W275 HydrophobicContact CG1-CE3 4.21Å; V266-W275 HydrophobicContact CG2-CE3 4.32Å; R268-W275 CarbonylContact O-C 3.46Å; R268-W275 WeakPolarHBondContact O-CA 3.33Å; M269-W275 HydrophobicContact CB-CG 4.43Å; M269-W275 HydrophobicContact CE-CD2 4.37Å; M269-W275 HydrophobicContact CE-CE3 4.05Å; M269-W275 HydrophobicContact CE-CH2 3.76Å; M269-W275 HydrophobicContact CE-CZ2 4.01Å; M269-W275 HydrophobicContact CE-CZ3 3.74Å; M269-W275 HydrophobicContact CG-CD2 4.06Å; M269-W275 HydrophobicContact CG-CE3 4.49Å; M269-W275 HydrophobicContact CG-CG 4.29Å; W275-L285 CarbonylContact O-C 3.54Å; W275-L285 WeakPolarHBondContact O-CA 3.25Å; W275-F286 HydrophobicContact CB-CD2 4.34Å; W275-F286 HydrophobicContact CB-CE1 4.37Å; W275-F286 HydrophobicContact CB-CE2 3.7Å; W275-F286 HydrophobicContact CB-CZ 3.73Å; W275-F286 HydrophobicContact CE3-CE2 4.07Å; W275-F286 HydrophobicContact CE3-CZ 4.49Å; W275-F286 PolarHBondContact N-O 3.24Å; W275-F286 WeakPolarHBondContact O-CD1 3.48Å; W275-F286 PolarHBondContact O-N 2.74Å; W275-F288 HydrophobicContact CD2-CB 3.63Å; W275-F288 HydrophobicContact CE3-CB 4.05Å; W275-F288 HydrophobicContact CG-CB 4.12Å; W275-F288 HydrophobicContact CH2-CB 3.89Å; W275-F288 HydrophobicContact CZ2-CB 3.53Å; W275-F288 HydrophobicContact CZ2-CD2 4.44Å; W275-F288 HydrophobicContact CZ2-CG 4.24Å; W275-F288 HydrophobicContact CZ3-CB 4.16Å; W275-V291 HydrophobicContact CE3-CG2 3.88Å; W275-V291 HydrophobicContact CZ3-CG2 3.76Å; W275-I293 HydrophobicContact CH2-CD1 3.46Å; W275-I293 VanDerWaalsContact CH2-CD1 3.46Å; W275-I293 HydrophobicContact CH2-CG1 3.61Å; W275-I293 HydrophobicContact CZ2-CD1 4.39Å; W275-I293 HydrophobicContact CZ3-CD1 3.93Å; W275-I293 HydrophobicContact CZ3-CG1 3.56Å
276E83.7Confident79.4Confident59 Ų5973.2 Ų73.228%0.27637%0.374SS..EExtended strand (participates in β ladder)trans-94.9134.5169.2-63.2172.774.900108.9T267 R268 N270 G284 L285T267-E276 PolarHBondContact N-O 3.48Å; R268-E276 HydrophobicContact CB-CB 3.86Å; R268-E276 HydrophobicContact CB-CG 4.27Å; R268-E276 WeakPolarHBondContact CD-OE2 3.15Å; R268-E276 IonicContact CZ-OE2 2.83Å; R268-E276 PolarHBondContact N-O 2.94Å; R268-E276 IonicContact NE-OE2 2.8Å; R268-E276 IonicContact NH1-OE1 3.52Å; R268-E276 IonicContact NH1-OE2 2.75Å; R268-E276 PolarHBondContact NH1-OE2 2.94Å; R268-E276 PolarHBondContact O-N 3.06Å; N270-E276 PolarHBondContact ND2-OE2 3.33Å; E276-G284 WeakPolarHBondContact CA-O 3.4Å; E276-L285 HydrophobicContact CB-CD2 4.46Å; E276-L285 HydrophobicContact CG-CD2 3.28Å; E276-L285 HydrophobicContact CG-CG 4.17Å
277G85.6Confident79.1Confident2 Ų274.1 Ų74.12%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-159.5176.9172.500000112K265 K283 G284K265-G277 CarbonylContact O-C 3.49Å; K265-G277 WeakPolarHBondContact O-CA 2.88Å; G277-K283 WeakPolarHBondContact O-CA 3.42Å; G277-G284 PolarHBondContact N-O 3.32Å; G277-G284 PolarHBondContact O-N 3.38Å
278E86.3Confident79.2Confident83 Ų8373.8 Ų73.839%0.38837%0.369SS..EExtended strand (participates in β ladder)trans-119.1128.4-176.8-174.6179.384.800109.3K265 R282K265-E278 HydrophobicContact CB-CB 4.48Å; K265-E278 PolarHBondContact N-O 3.28Å; K265-E278 PolarHBondContact O-N 3.38Å; E278-R282 CarbonylContact C-O 3.43Å; E278-R282 VanDerWaalsContact CA-O 3.26Å; E278-R282 WeakPolarHBondContact CA-O 3.38Å
279V84.2Confident79.4Confident7 Ų770.7 Ų70.74%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-136.3130.817675.70000108.4L256 A257 D262 V264 G281 R282L256-V279 HydrophobicContact CD1-CG1 3.81Å; L256-V279 HydrophobicContact CD2-CB 3.95Å; L256-V279 HydrophobicContact CD2-CG1 3.52Å; L256-V279 HydrophobicContact CG-CG1 3.55Å; A257-V279 WeakPolarHBondContact O-CG1 3.31Å; D262-V279 HydrophobicContact CB-CG2 3.77Å; D262-V279 WeakPolarHBondContact OD1-CG2 3.47Å; V264-V279 HydrophobicContact CG1-CB 4.46Å; V264-V279 HydrophobicContact CG2-CB 4.27Å; V264-V279 HydrophobicContact CG2-CG2 4.22Å; V279-G281 PolarHBondContact O-N 3.23Å; V279-R282 PolarHBondContact N-O 3.11Å; V279-R282 PolarHBondContact O-N 2.86Å
280N75Confident79.5Confident141 Ų14170 Ų7075%0.75436%0.362SS*.THydrogen-bonded Turntrans49.437.2-179.4-74.6-84.3000114.1D262 R282D262-N280 PolarHBondContact OD1-ND2 3.46Å; N280-R282 PolarHBondContact O-N 3.13Å
281G75.8Confident80Confident67 Ų6768.4 Ų68.469%0.69135%0.354SS*.THydrogen-bonded Turntrans74.63.7-178.800000115.5V279V279-G281 PolarHBondContact O-N 3.23Å
282R75.2Confident80.4Confident179 Ų17965.3 Ų65.368%0.67533%0.334SS*.EExtended strand (participates in β ladder)trans-101.1131.5171.2-64.5-173.5-169.7156.45.1109.3L256 E278 V279 N280L256-R282 HydrophobicContact CD1-CB 4.07Å; L256-R282 WeakPolarHBondContact CD1-O 3.47Å; E278-R282 CarbonylContact C-O 3.43Å; E278-R282 VanDerWaalsContact CA-O 3.26Å; E278-R282 WeakPolarHBondContact CA-O 3.38Å; V279-R282 PolarHBondContact N-O 3.11Å; V279-R282 PolarHBondContact O-N 2.86Å; N280-R282 PolarHBondContact O-N 3.13Å
283K82.8Confident81.1Confident175 Ų17563.1 Ų63.176%0.76132%0.322SS*.EExtended strand (participates in β ladder)trans-99.7142.8171.963.8-170171.3-159.30110.3L256 G277L256-K283 VanDerWaalsContact CD1-C 3.48Å; G277-K283 WeakPolarHBondContact O-CA 3.42Å
284G83Confident81.3Confident11 Ų1165.6 Ų65.611%0.11333%0.328CS..EExtended strand (participates in β ladder)trans-178.4175.6178.200000113.1T254 L256 E276 G277T254-G284 CarbonylContact O-C 3.58Å; T254-G284 WeakPolarHBondContact O-CA 3.39Å; L256-G284 VanDerWaalsContact CD1-N 3.34Å; E276-G284 WeakPolarHBondContact CA-O 3.4Å; G277-G284 PolarHBondContact N-O 3.32Å; G277-G284 PolarHBondContact O-N 3.38Å
285L83.5Confident80.7Confident41 Ų4165.6 Ų65.622%0.21533%0.331CS..EExtended strand (participates in β ladder)trans-89.6132.5178.5-67.1162.4000109.8R246 T254 A255 L256 Q274 W275 E276R246-L285 PolarHBondContact NH1-O 3.05Å; T254-L285 PolarHBondContact O-N 3.22Å; A255-L285 WeakPolarHBondContact CA-O 3.31Å; L256-L285 PolarHBondContact N-O 3.41Å; Q274-L285 HydrophobicContact CB-CD2 4.33Å; W275-L285 CarbonylContact O-C 3.54Å; W275-L285 WeakPolarHBondContact O-CA 3.25Å; E276-L285 HydrophobicContact CB-CD2 4.46Å; E276-L285 HydrophobicContact CG-CD2 3.28Å; E276-L285 HydrophobicContact CG-CG 4.17Å
286F82.5Confident79.6Confident0 Ų067.6 Ų67.60%035%0.348CS..EExtended strand (participates in β ladder)trans-138.7146.9170.658.8-87.2000110.7L256 L258 V264 V266 Q274 W275 V291L256-F286 HydrophobicContact CB-CB 4.35Å; L256-F286 HydrophobicContact CB-CD1 4.12Å; L256-F286 HydrophobicContact CD2-CD1 3.65Å; L256-F286 HydrophobicContact CD2-CE1 4.04Å; L258-F286 HydrophobicContact CD1-CB 3.62Å; L258-F286 HydrophobicContact CD1-CD2 4.06Å; L258-F286 HydrophobicContact CD1-CG 3.9Å; L258-F286 HydrophobicContact CG-CB 4.25Å; V264-F286 HydrophobicContact CB-CZ 4.4Å; V264-F286 HydrophobicContact CG1-CD1 4.21Å; V264-F286 HydrophobicContact CG1-CE1 3.4Å; V264-F286 VanDerWaalsContact CG1-CE1 3.4Å; V264-F286 HydrophobicContact CG1-CZ 3.66Å; V266-F286 HydrophobicContact CG2-CZ 4.24Å; Q274-F286 CarbonylContact C-O 3.53Å; W275-F286 HydrophobicContact CB-CD2 4.34Å; W275-F286 HydrophobicContact CB-CE1 4.37Å; W275-F286 HydrophobicContact CB-CE2 3.7Å; W275-F286 HydrophobicContact CB-CZ 3.73Å; W275-F286 HydrophobicContact CE3-CE2 4.07Å; W275-F286 HydrophobicContact CE3-CZ 4.49Å; W275-F286 PolarHBondContact N-O 3.24Å; W275-F286 WeakPolarHBondContact O-CD1 3.48Å; W275-F286 PolarHBondContact O-N 2.74Å; F286-V291 HydrophobicContact CD2-CG1 3.65Å; F286-V291 HydrophobicContact CD2-CG2 4.13Å; F286-V291 HydrophobicContact CE2-CB 4.23Å; F286-V291 HydrophobicContact CE2-CG1 3.6Å; F286-V291 HydrophobicContact CE2-CG2 3.58Å
287P79Confident78.3Confident27 Ų2773 Ų7318%0.17537%0.374CS..EExtended strand (participates in β ladder)trans-66.7136.1173.928.3-35.7000110.7G273 T289 H290G273-P287 WeakPolarHBondContact O-CA 3.39Å; P287-T289 PolarHBondContact O-N 2.77Å; P287-T289 VanDerWaalsContact O-N 3.1Å; P287-H290 HydrophobicContact CG-CB 4.43Å; P287-H290 VanDerWaalsContact CG-ND1 3.3Å; P287-H290 WeakPolarHBondContact CG-ND1 3.28Å; P287-H290 PolarHBondContact O-N 3.22Å
288F81.6Confident76.6Confident100 Ų10077.7 Ų77.744%0.43940%0.398SS..G310 helixtrans-59.7-24.1178.383.1-83.1000112.9G273 W275 H290 V291G273-F288 WeakPolarHBondContact O-CD1 3.15Å; G273-F288 PolarHBondContact O-N 3.32Å; W275-F288 HydrophobicContact CD2-CB 3.63Å; W275-F288 HydrophobicContact CE3-CB 4.05Å; W275-F288 HydrophobicContact CG-CB 4.12Å; W275-F288 HydrophobicContact CH2-CB 3.89Å; W275-F288 HydrophobicContact CZ2-CB 3.53Å; W275-F288 HydrophobicContact CZ2-CD2 4.44Å; W275-F288 HydrophobicContact CZ2-CG 4.24Å; W275-F288 HydrophobicContact CZ3-CB 4.16Å; F288-H290 PolarHBondContact O-N 3.04Å; F288-H290 VanDerWaalsContact O-N 3.16Å; F288-V291 WeakPolarHBondContact O-CG2 3Å; F288-V291 PolarHBondContact O-N 2.9Å
289T81.4Confident75Confident77 Ų7779.4 Ų79.447%0.47242%0.416SS..G310 helixtrans-63.9-17.6-179.756.20000113.8P287P287-T289 PolarHBondContact O-N 2.77Å; P287-T289 VanDerWaalsContact O-N 3.1Å
290H78.7Confident73.1Confident37 Ų3785.8 Ų85.817%0.17145%0.45CS..G310 helixtrans-99.40.5-178.2-66.657.2000113A242 I243 Q244 L258 P287 F288A242-H290 WeakPolarHBondContact CA-O 3.46Å; I243-H290 VanDerWaalsContact CG1-C 3.49Å; I243-H290 VanDerWaalsContact CG1-O 3.32Å; I243-H290 WeakPolarHBondContact CG1-O 3.43Å; I243-H290 PolarHBondContact N-O 2.77Å; Q244-H290 HydrophobicContact CB-CB 3.98Å; Q244-H290 PolarHBondContact N-O 2.79Å; Q244-H290 PolarHBondContact OE1-CD2 3.25Å; Q244-H290 PolarHBondContact OE1-CE1 2.74Å; Q244-H290 PolarHBondContact OE1-NE2 2.8Å; L258-H290 HydrophobicContact CD1-CB 4.12Å; P287-H290 HydrophobicContact CG-CB 4.43Å; P287-H290 VanDerWaalsContact CG-ND1 3.3Å; P287-H290 WeakPolarHBondContact CG-ND1 3.28Å; P287-H290 PolarHBondContact O-N 3.22Å; F288-H290 PolarHBondContact O-N 3.04Å; F288-H290 VanDerWaalsContact O-N 3.16Å
291V83.2Confident72Confident11 Ų1187.1 Ų87.17%0.06745%0.452CS..EExtended strand (participates in β ladder)trans-130.4157-179.3-570000111.5A240 K241 A242 L258 V264 W275 F286 F288A240-V291 HydrophobicContact CB-CB 3.91Å; A240-V291 HydrophobicContact CB-CG2 3.92Å; K241-V291 CarbonylContact O-C 3.57Å; K241-V291 VanDerWaalsContact O-CA 3.31Å; K241-V291 WeakPolarHBondContact O-CA 3.28Å; A242-V291 HydrophobicContact CB-CG1 4.47Å; L258-V291 HydrophobicContact CD1-CG1 3.83Å; V264-V291 HydrophobicContact CG2-CG1 4.43Å; W275-V291 HydrophobicContact CE3-CG2 3.88Å; W275-V291 HydrophobicContact CZ3-CG2 3.76Å; F286-V291 HydrophobicContact CD2-CG1 3.65Å; F286-V291 HydrophobicContact CD2-CG2 4.13Å; F286-V291 HydrophobicContact CE2-CB 4.23Å; F286-V291 HydrophobicContact CE2-CG1 3.6Å; F286-V291 HydrophobicContact CE2-CG2 3.58Å; F288-V291 WeakPolarHBondContact O-CG2 3Å; F288-V291 PolarHBondContact O-N 2.9Å
292K81.3Confident70.4Confident101 Ų10189.6 Ų89.644%0.43945%0.45SS..EExtended strand (participates in β ladder)trans-120.8119.8171-172.1169.9-179.21780108A240 K241 I243 F294 N302A240-K292 CarbonylContact C-O 3.49Å; A240-K292 VanDerWaalsContact CA-O 3.31Å; A240-K292 WeakPolarHBondContact CA-O 3.36Å; K241-K292 PolarHBondContact N-O 3.11Å; K241-K292 PolarHBondContact O-N 2.95Å; I243-K292 HydrophobicContact CG2-CB 3.73Å; K292-F294 PolarHBondContact O-N 3.04Å; K292-N302 VanDerWaalsContact NZ-CG 3.31Å; K292-N302 PolarHBondContact NZ-OD1 3.25Å
293I82.8Confident68.7Low63 Ų6393.7 Ų93.732%0.32348%0.476SS..EExtended strand (participates in β ladder)trans-59.9133.4173.7-57.7165.2000107.5L230 V238 M269 W275L230-I293 HydrophobicContact CD1-CD1 3.97Å; V238-I293 HydrophobicContact CG1-CG2 3.73Å; M269-I293 HydrophobicContact CE-CD1 3.41Å; M269-I293 VanDerWaalsContact CE-CD1 3.41Å; M269-I293 HydrophobicContact CE-CG1 3.87Å; W275-I293 HydrophobicContact CH2-CD1 3.46Å; W275-I293 VanDerWaalsContact CH2-CD1 3.46Å; W275-I293 HydrophobicContact CH2-CG1 3.61Å; W275-I293 HydrophobicContact CZ2-CD1 4.39Å; W275-I293 HydrophobicContact CZ3-CD1 3.93Å; W275-I293 HydrophobicContact CZ3-CG1 3.56Å
294F77.5Confident68Low69 Ų6989.7 Ų89.730%0.30346%0.462SS..EExtended strand (participates in β ladder)trans-135.7144.1170.578-78.9000109.1F239 K241 I263 K292 P296F239-F294 HydrophobicContact CB-CD1 4.27Å; F239-F294 HydrophobicContact CB-CE1 3.69Å; F239-F294 HydrophobicContact CB-CE2 4.48Å; F239-F294 HydrophobicContact CB-CZ 3.81Å; F239-F294 PolarHBondContact O-N 3.22Å; K241-F294 HydrophobicContact CB-CD1 3.84Å; K241-F294 HydrophobicContact CB-CE1 4.06Å; I263-F294 HydrophobicContact CD1-CE1 3.78Å; I263-F294 HydrophobicContact CD1-CZ 3.83Å; I263-F294 HydrophobicContact CG1-CZ 4.47Å; I263-F294 HydrophobicContact CG2-CE1 3.87Å; I263-F294 HydrophobicContact CG2-CZ 3.74Å; K292-F294 PolarHBondContact O-N 3.04Å; F294-P296 HydrophobicContact CE2-CB 3.98Å
295D66.8Low67.2Low97 Ų9793.8 Ų93.852%0.51948%0.481SS..  trans-86.6119.6170.4-158.9-70.4000108.2Q297 N298D295-Q297 PolarHBondContact O-N 3.14Å; D295-Q297 VanDerWaalsContact O-N 3.09Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.44Å; D295-Q297 PolarHBondContact OD1-N 3.19Å; D295-N298 PolarHBondContact O-N 3.05Å; D295-N298 VanDerWaalsContact O-N 3.13Å
296P61.1Low66.3Low73 Ų7396.7 Ų96.747%0.47450%0.495SS..THydrogen-bonded Turntrans-65.8-8.8179.130-36.9000112.8F239 F294F239-P296 HydrophobicContact CD2-CG 3.59Å; F239-P296 HydrophobicContact CE2-CG 3.91Å; F239-P296 HydrophobicContact CG-CG 4.39Å; F294-P296 HydrophobicContact CE2-CB 3.98Å
297Q56.4Low65.3Low173 Ų173102.4 Ų102.481%0.80852%0.524SS*.THydrogen-bonded Turntrans-86.8-5.1174.9-58.2-174.62.500113.7D295D295-Q297 PolarHBondContact O-N 3.14Å; D295-Q297 VanDerWaalsContact O-N 3.09Å; D295-Q297 WeakPolarHBondContact OD1-CB 3.44Å; D295-Q297 PolarHBondContact OD1-N 3.19Å
298N51.4Low64.5Low100 Ų100107.1 Ų107.154%0.53555%0.546SS..  trans-132.186.5-178.8-148.158.7000112.5D295 D300D295-N298 PolarHBondContact O-N 3.05Å; D295-N298 VanDerWaalsContact O-N 3.13Å; N298-D300 VanDerWaalsContact C-N 3.27Å; N298-D300 PolarHBondContact O-N 2.75Å
299P51Low63.3Low118 Ų118107.6 Ų107.677%0.76655%0.553SS**  trans-755.1-17628.1-33.1000116.5
300D45.9Very low62Low142 Ų142109.8 Ų109.876%0.75956%0.559SS**  trans-12422.9-157.1-99.2-88.9000117.5N298N298-D300 VanDerWaalsContact C-N 3.27Å; N298-D300 PolarHBondContact O-N 2.75Å
301E51.3Low60.7Low168 Ų168115.4 Ų115.479%0.78559%0.589SS**SBendtrans-121.113.7-173-90.3-127.1100.700118.3
302N41.5Very low58.9Low120 Ų120124.1 Ų124.164%0.64263%0.633SS**  trans-15770.3172.8-149.2121.7000115.5K292K292-N302 VanDerWaalsContact NZ-CG 3.31Å; K292-N302 PolarHBondContact NZ-OD1 3.25Å
303E39.5Very low56.8Low265 Ų265126.2 Ų126.2100%1.23865%0.65SS**  trans-69.30149.1-116.7168.178.700111.2

Retrieved 303 of 303 residues in 406.3 ms (Link to these results)

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