A0A087XVP0_POEFO Loading...

Methyltransferase 5, N6-adenosine

AlphaFold DB , UniProt , Accession A0A087XVP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 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
1M92.6Very high97.1Very high91 Ų9174.1 Ų74.145%0.44836%0.361SS..  0146.70-175.4-180-67.800110.3E5 L6 L68 L69M1-E5 HydrophobicContact CG-CB 3.77Å; M1-E5 HydrophobicContact SD-CB 4.46Å; M1-L6 HydrophobicContact CG-CB 4.38Å; M1-L6 VanDerWaalsContact SD-CA 3.54Å; M1-L6 HydrophobicContact SD-CB 3.76Å; M1-L6 HydrophobicContact SD-CD1 4Å; M1-L68 HydrophobicContact CE-CB 4.07Å; M1-L68 HydrophobicContact CE-CD2 4.43Å; M1-L69 HydrophobicContact CB-CD2 4.23Å
2K96.3Very high97.2Very high139 Ų13978.5 Ų78.560%0.60438%0.38SS*.  trans-81.8156175-66.2177.8-177.2164.40111.9K4 E5 L6K2-K4 PolarHBondContact O-N 2.69Å; K2-E5 HydrophobicContact CB-CG 4.24Å; K2-E5 PolarHBondContact N-OE2 3.2Å; K2-E5 WeakPolarHBondContact O-CB 3.05Å; K2-E5 PolarHBondContact O-N 3.17Å; K2-L6 PolarHBondContact O-N 3.06Å
3L95.8Very high97.3Very high56 Ų5673.3 Ų73.329%0.29336%0.356SS..Hα-helixtrans-52.1-47.2-179.7176.163.5000113.7E5 L6 E7 A34 Y38L3-E5 VanDerWaalsContact C-N 3.32Å; L3-E5 PolarHBondContact O-N 3.11Å; L3-L6 PolarHBondContact O-N 3.18Å; L3-E7 PolarHBondContact O-N 2.93Å; L3-A34 HydrophobicContact CD1-CB 3.87Å; L3-A34 WeakPolarHBondContact CD1-O 3.49Å; L3-Y38 HydrophobicContact CB-CD1 4.24Å; L3-Y38 HydrophobicContact CB-CD2 3.8Å; L3-Y38 HydrophobicContact CB-CE1 4.36Å; L3-Y38 HydrophobicContact CB-CE2 3.93Å; L3-Y38 HydrophobicContact CB-CG 3.97Å; L3-Y38 HydrophobicContact CD1-CD1 4.43Å; L3-Y38 HydrophobicContact CD1-CD2 4.31Å; L3-Y38 HydrophobicContact CD1-CG 3.88Å; L3-Y38 HydrophobicContact CG-CG 4.46Å
4K96.4Very high97.3Very high177 Ų17772.6 Ų72.677%0.7736%0.355SS*.Hα-helixtrans-68.6-30-179.9-71.9-169.2174.9-173.10113.5K2 S8K2-K4 PolarHBondContact O-N 2.69Å; K4-S8 WeakPolarHBondContact O-CB 3.36Å; K4-S8 PolarHBondContact O-N 3.01Å
5E98.2Very high97.2Very high94 Ų9471.8 Ų71.844%0.43936%0.356SS..Hα-helixtrans-69.8-46.7175.9-67.8160.9-173.400109.2M1 K2 L3 E7 S8 C9M1-E5 HydrophobicContact CG-CB 3.77Å; M1-E5 HydrophobicContact SD-CB 4.46Å; K2-E5 HydrophobicContact CB-CG 4.24Å; K2-E5 PolarHBondContact N-OE2 3.2Å; K2-E5 WeakPolarHBondContact O-CB 3.05Å; K2-E5 PolarHBondContact O-N 3.17Å; L3-E5 VanDerWaalsContact C-N 3.32Å; L3-E5 PolarHBondContact O-N 3.11Å; E5-E7 PolarHBondContact O-N 2.96Å; E5-S8 WeakPolarHBondContact O-CB 3.38Å; E5-S8 PolarHBondContact O-N 2.91Å; E5-S8 VanDerWaalsContact O-N 3.17Å; E5-C9 PolarHBondContact O-N 3.09Å; E5-C9 PolarHBondContact O-SG 3.37Å; E5-C9 VanDerWaalsContact O-SG 3.4Å
6L98.3Very high97.1Very high0 Ų069.3 Ų69.30%034%0.342CS..Hα-helixtrans-57.5-48.5174.3179.763.4000111.7M1 K2 L3 S8 C9 L10 A34 L37 L68 L69M1-L6 HydrophobicContact CG-CB 4.38Å; M1-L6 VanDerWaalsContact SD-CA 3.54Å; M1-L6 HydrophobicContact SD-CB 3.76Å; M1-L6 HydrophobicContact SD-CD1 4Å; K2-L6 PolarHBondContact O-N 3.06Å; L3-L6 PolarHBondContact O-N 3.18Å; L6-S8 VanDerWaalsContact C-N 3.3Å; L6-S8 PolarHBondContact O-N 3.17Å; L6-C9 WeakPolarHBondContact O-CB 3.26Å; L6-C9 PolarHBondContact O-N 3.01Å; L6-C9 VanDerWaalsContact O-N 3.17Å; L6-L10 HydrophobicContact CD1-CD1 4.23Å; L6-L10 HydrophobicContact CD1-CG 4.24Å; L6-L10 HydrophobicContact CG-CD1 4.1Å; L6-L10 HydrophobicContact CG-CG 4.45Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.32Å; L6-L10 PolarHBondContact O-N 2.9Å; L6-A34 HydrophobicContact CD2-CB 4.22Å; L6-A34 HydrophobicContact CG-CB 4.16Å; L6-L37 HydrophobicContact CD2-CB 4.15Å; L6-L68 HydrophobicContact CD1-CB 4.39Å; L6-L68 HydrophobicContact CD1-CD1 4.46Å; L6-L69 HydrophobicContact CD1-CG 4.39Å; L6-L69 HydrophobicContact CD2-CD1 3.83Å; L6-L69 HydrophobicContact CD2-CD2 4.33Å; L6-L69 HydrophobicContact CD2-CG 4.24Å
7E98.1Very high96.7Very high43 Ų4372.9 Ų72.920%0.20136%0.358CS..Hα-helixtrans-58.2-42.4176.9-172.2177.2151.800111.9L3 E5 C9 L10 Q11 P30 H31 A34L3-E7 PolarHBondContact O-N 2.93Å; E5-E7 PolarHBondContact O-N 2.96Å; E7-C9 VanDerWaalsContact C-N 3.34Å; E7-C9 PolarHBondContact O-N 3.1Å; E7-L10 PolarHBondContact O-N 3.04Å; E7-Q11 WeakPolarHBondContact O-CG 3.25Å; E7-Q11 PolarHBondContact O-N 3.37Å; E7-Q11 VanDerWaalsContact O-N 3.08Å; E7-P30 HydrophobicContact CG-CB 4.34Å; E7-H31 IonicContact OE1-ND1 2.82Å; E7-H31 IonicContact OE2-CE1 3.95Å; E7-H31 IonicContact OE2-CG 3.93Å; E7-H31 IonicContact OE2-ND1 3.92Å; E7-H31 PolarHBondContact OE2-ND1 3.48Å; E7-A34 HydrophobicContact CB-CB 3.67Å; E7-A34 HydrophobicContact CG-CB 4.25Å
8S98.2Very high96.4Very high60 Ų6077.9 Ų77.942%0.4238%0.38SS..Hα-helixtrans-66.1-34.1177.7-171.80000113K4 E5 L6 Q12K4-S8 WeakPolarHBondContact O-CB 3.36Å; K4-S8 PolarHBondContact O-N 3.01Å; E5-S8 WeakPolarHBondContact O-CB 3.38Å; E5-S8 PolarHBondContact O-N 2.91Å; E5-S8 VanDerWaalsContact O-N 3.17Å; L6-S8 VanDerWaalsContact C-N 3.3Å; L6-S8 PolarHBondContact O-N 3.17Å; S8-Q12 PolarHBondContact O-NE2 3.38Å
9C98.4Very high96.2Very high32 Ų3275.7 Ų75.722%0.21637%0.373CS..Hα-helixtrans-66.8-48.2172.1-71.10000110.3E5 L6 E7 Q11 Q12 L68 F94E5-C9 PolarHBondContact O-N 3.09Å; E5-C9 PolarHBondContact O-SG 3.37Å; E5-C9 VanDerWaalsContact O-SG 3.4Å; L6-C9 WeakPolarHBondContact O-CB 3.26Å; L6-C9 PolarHBondContact O-N 3.01Å; L6-C9 VanDerWaalsContact O-N 3.17Å; E7-C9 VanDerWaalsContact C-N 3.34Å; E7-C9 PolarHBondContact O-N 3.1Å; C9-Q11 PolarHBondContact O-N 2.81Å; C9-Q11 VanDerWaalsContact O-N 3.16Å; C9-Q12 WeakPolarHBondContact O-CB 3.36Å; C9-Q12 PolarHBondContact O-N 3.27Å; C9-L68 HydrophobicContact CB-CD1 3.75Å; C9-F94 HydrophobicContact CB-CE1 4.2Å; C9-F94 WeakPolarHBondContact O-CZ 3.4Å
10L98.3Very high96.1Very high2 Ų275.4 Ų75.41%0.0137%0.369CS..Hα-helixtrans-64.6-21.1-178.2-66.4179.9000113.9L6 E7 Q12 V13 P30 A33 A34 L37 V61 I64L6-L10 HydrophobicContact CD1-CD1 4.23Å; L6-L10 HydrophobicContact CD1-CG 4.24Å; L6-L10 HydrophobicContact CG-CD1 4.1Å; L6-L10 HydrophobicContact CG-CG 4.45Å; L6-L10 VanDerWaalsContact O-CG 3.32Å; L6-L10 WeakPolarHBondContact O-CG 3.32Å; L6-L10 PolarHBondContact O-N 2.9Å; E7-L10 PolarHBondContact O-N 3.04Å; L10-Q12 PolarHBondContact O-N 3.06Å; L10-V13 HydrophobicContact CD2-CG2 4.26Å; L10-V13 PolarHBondContact O-N 2.88Å; L10-P30 HydrophobicContact CB-CB 3.9Å; L10-A33 HydrophobicContact CD1-CB 3.67Å; L10-A34 HydrophobicContact CD1-CB 4.16Å; L10-L37 HydrophobicContact CD1-CD1 4.33Å; L10-V61 HydrophobicContact CD2-CG1 4.27Å; L10-V61 VanDerWaalsContact CD2-O 3.28Å; L10-V61 WeakPolarHBondContact CD2-O 3.4Å; L10-I64 HydrophobicContact CD2-CG2 4.31Å
11Q97.7Very high95.6Very high121 Ų12175.7 Ų75.757%0.56537%0.372SS*.THydrogen-bonded Turntrans-67.3-19.3171.8-75.6172.68.400114E7 C9 P30E7-Q11 WeakPolarHBondContact O-CG 3.25Å; E7-Q11 PolarHBondContact O-N 3.37Å; E7-Q11 VanDerWaalsContact O-N 3.08Å; C9-Q11 PolarHBondContact O-N 2.81Å; C9-Q11 VanDerWaalsContact O-N 3.16Å; Q11-P30 HydrophobicContact CB-CG 4.43Å; Q11-P30 HydrophobicContact CG-CB 3.71Å; Q11-P30 HydrophobicContact CG-CG 3.85Å
12Q98Very high95.5Very high127 Ų12777.1 Ų77.159%0.59338%0.38SS*.THydrogen-bonded Turntrans-92.4-3.5179.9-64.7173.274.300112.8S8 C9 L10 D14 F94S8-Q12 PolarHBondContact O-NE2 3.38Å; C9-Q12 WeakPolarHBondContact O-CB 3.36Å; C9-Q12 PolarHBondContact O-N 3.27Å; L10-Q12 PolarHBondContact O-N 3.06Å; Q12-D14 PolarHBondContact O-N 2.97Å; Q12-F94 HydrophobicContact CB-CE2 4.43Å; Q12-F94 HydrophobicContact CB-CZ 3.91Å
13V98.3Very high95.2Very high11 Ų1173.6 Ų73.67%0.06737%0.368CS..  trans-73.2118.6177.8179.20000108.9L10 V61 I64 N90 F94L10-V13 HydrophobicContact CD2-CG2 4.26Å; L10-V13 PolarHBondContact O-N 2.88Å; V13-V61 HydrophobicContact CB-CG2 4.37Å; V13-V61 HydrophobicContact CG1-CG2 3.83Å; V13-I64 HydrophobicContact CB-CD1 4.31Å; V13-I64 HydrophobicContact CG1-CD1 3.59Å; V13-I64 HydrophobicContact CG2-CB 4.41Å; V13-I64 HydrophobicContact CG2-CD1 3.73Å; V13-I64 HydrophobicContact CG2-CG2 4Å; V13-N90 HydrophobicContact CG1-CB 4.49Å; V13-N90 WeakPolarHBondContact CG1-ND2 3.34Å; V13-F94 HydrophobicContact CG2-CE2 4.03Å; V13-F94 HydrophobicContact CG2-CZ 3.84Å
14D98.2Very high94.9Very high64 Ų6471.8 Ų71.834%0.34236%0.358SS..  trans-63.4147173.1-78.7-23.9000110.6Q12 C59 I86 R89 N90Q12-D14 PolarHBondContact O-N 2.97Å; D14-C59 VanDerWaalsContact O-CB 3.3Å; D14-C59 WeakPolarHBondContact O-CB 3.31Å; D14-I86 HydrophobicContact CB-CG2 3.93Å; D14-R89 IonicContact OD2-CZ 3.13Å; D14-R89 IonicContact OD2-NE 3.72Å; D14-R89 PolarHBondContact OD2-NE 2.71Å; D14-R89 IonicContact OD2-NH2 2.71Å; D14-R89 PolarHBondContact OD2-NH2 2.98Å; D14-N90 WeakPolarHBondContact CB-OD1 3.38Å; D14-N90 PolarHBondContact N-OD1 3.27Å; D14-N90 PolarHBondContact O-ND2 3.49Å
15T96.1Very high94.7Very high60 Ų6063.8 Ų63.837%0.36832%0.323SS..  trans-126.8178.2-17765.60000111.1E17 P27T15-E17 PolarHBondContact O-N 3.18Å; T15-P27 HydrophobicContact CG2-CB 3.59Å; T15-P27 HydrophobicContact CG2-CG 3.85Å
16F94.7Very high94.3Very high31 Ų3160.8 Ų60.814%0.13631%0.308CS..  trans-46.4121-172.1-54.1-81000113.6P19 Q25 P27 C59 A83F16-P19 HydrophobicContact CB-CB 3.92Å; F16-P19 HydrophobicContact CG-CB 4.4Å; F16-Q25 HydrophobicContact CD1-CB 4Å; F16-Q25 HydrophobicContact CD1-CG 4.03Å; F16-Q25 HydrophobicContact CD2-CB 4.17Å; F16-Q25 HydrophobicContact CE1-CB 3.82Å; F16-Q25 VanDerWaalsContact CE1-CD 3.44Å; F16-Q25 HydrophobicContact CE1-CG 3.54Å; F16-Q25 HydrophobicContact CE2-CB 4Å; F16-Q25 HydrophobicContact CE2-CG 4.5Å; F16-Q25 HydrophobicContact CG-CB 4.17Å; F16-Q25 HydrophobicContact CZ-CB 3.82Å; F16-Q25 HydrophobicContact CZ-CG 3.81Å; F16-P27 HydrophobicContact CE2-CB 4.43Å; F16-C59 PolarHBondContact N-SG 3.23Å; F16-A83 HydrophobicContact CD1-CB 4.24Å; F16-A83 HydrophobicContact CE1-CB 3.74Å
17E90.1Very high93.8Very high132 Ų13262.8 Ų62.862%0.61732%0.321SS*.SBendtrans-72.5-45.5173.8-63.7-179.9-172.500110.7T15 I86 R89T15-E17 PolarHBondContact O-N 3.18Å; E17-I86 HydrophobicContact CG-CD1 4.02Å; E17-R89 IonicContact OE1-CZ 3.42Å; E17-R89 IonicContact OE1-NH1 3.48Å; E17-R89 PolarHBondContact OE1-NH1 2.85Å; E17-R89 IonicContact OE1-NH2 3.87Å; E17-R89 PolarHBondContact OE1-NH2 3.13Å
18E92.4Very high93.6Very high162 Ų16261.3 Ų61.376%0.75732%0.315SS*.SBendtrans-128.181.9175.8-63.4-156.5135.100111.5K20E18-K20 PolarHBondContact O-N 3.28Å
19P92.5Very high93.4Very high37 Ų3760.5 Ų60.524%0.2431%0.309CS..  trans-65.4132.1-173.725.1-34000113.2F16 Q25 Y188F16-P19 HydrophobicContact CB-CB 3.92Å; F16-P19 HydrophobicContact CG-CB 4.4Å; P19-Q25 HydrophobicContact CB-CB 4.09Å; P19-Y188 HydrophobicContact CB-CE1 3.99Å; P19-Y188 HydrophobicContact CG-CD1 4.43Å; P19-Y188 HydrophobicContact CG-CE1 4.01Å
20K92.7Very high93.3Very high69 Ų6960.8 Ų60.830%0.331%0.311SS..  trans-89.5107.3-179.9-63.3172.3-172.1165.30111E18 L22 L23 E24 Q25 D80 D82E18-K20 PolarHBondContact O-N 3.28Å; K20-L22 VanDerWaalsContact C-N 3.28Å; K20-L22 PolarHBondContact O-N 2.74Å; K20-L23 HydrophobicContact CB-CB 4.28Å; K20-L23 HydrophobicContact CB-CD1 4.15Å; K20-L23 HydrophobicContact CB-CG 4.19Å; K20-L23 HydrophobicContact CD-CD1 3.99Å; K20-L23 PolarHBondContact O-N 3.41Å; K20-E24 PolarHBondContact O-N 2.98Å; K20-Q25 PolarHBondContact O-N 3.4Å; K20-D80 WeakPolarHBondContact CD-OD2 3.13Å; K20-D80 WeakPolarHBondContact CE-OD2 3.44Å; K20-D80 IonicContact NZ-OD1 2.82Å; K20-D80 PolarHBondContact NZ-OD1 2.88Å; K20-D80 IonicContact NZ-OD2 2.8Å; K20-D80 PolarHBondContact NZ-OD2 3.34Å; K20-D82 WeakPolarHBondContact CE-OD2 3.29Å; K20-D82 IonicContact NZ-OD2 3.22Å; K20-D82 PolarHBondContact NZ-OD2 3.13Å
21I87.3Confident93Very high82 Ų8265.5 Ų65.542%0.42133%0.333SS..G310 helixtrans-57.1-40.1-177.7-57.9148.1000112.6L23 E24 Y188 F190I21-L23 PolarHBondContact O-N 3.37Å; I21-E24 PolarHBondContact O-N 3.07Å; I21-Y188 WeakPolarHBondContact CA-OH 3.17Å; I21-Y188 HydrophobicContact CB-CE1 4.13Å; I21-Y188 HydrophobicContact CD1-CD1 4Å; I21-Y188 HydrophobicContact CD1-CE1 4.2Å; I21-Y188 HydrophobicContact CD1-CG 4.44Å; I21-Y188 HydrophobicContact CG1-CD1 3.35Å; I21-Y188 HydrophobicContact CG1-CD2 4.15Å; I21-Y188 HydrophobicContact CG1-CE1 3.11Å; I21-Y188 HydrophobicContact CG1-CE2 4.01Å; I21-Y188 HydrophobicContact CG1-CG 3.89Å; I21-Y188 VanDerWaalsContact CG1-CZ 3.49Å; I21-F190 HydrophobicContact CD1-CE1 3.39Å; I21-F190 HydrophobicContact CD1-CZ 3.51Å; I21-F190 HydrophobicContact CG1-CE1 4.29Å; I21-F190 HydrophobicContact CG1-CZ 4.02Å
22L89.3Confident92.8Very high120 Ų12060.1 Ų60.163%0.62831%0.308SS*.G310 helixtrans-68.7-19.2-178.2-63.6-179.7000112.8K20 N132K20-L22 VanDerWaalsContact C-N 3.28Å; K20-L22 PolarHBondContact O-N 2.74Å; L22-N132 PolarHBondContact O-ND2 2.99Å
23L89.9Confident92.8Very high66 Ų6654 Ų5435%0.34628%0.279SS..G310 helixtrans-96.20.5172.8-59.9-177.2000112.1K20 I21 Q25 I79 D80K20-L23 HydrophobicContact CB-CB 4.28Å; K20-L23 HydrophobicContact CB-CD1 4.15Å; K20-L23 HydrophobicContact CB-CG 4.19Å; K20-L23 HydrophobicContact CD-CD1 3.99Å; K20-L23 PolarHBondContact O-N 3.41Å; I21-L23 PolarHBondContact O-N 3.37Å; L23-Q25 VanDerWaalsContact C-N 3.29Å; L23-Q25 HydrophobicContact CB-CG 4.03Å; L23-Q25 PolarHBondContact O-N 3.19Å; L23-I79 HydrophobicContact CD1-CG2 3.98Å; L23-I79 HydrophobicContact CD2-CG2 4.11Å; L23-D80 HydrophobicContact CD1-CB 4.06Å
24E89.5Confident92.8Very high17 Ų1753.5 Ų53.58%0.07928%0.276CS..THydrogen-bonded Turntrans5345-174-56.3-178.2-150.700112.3K20 I21 Y26 P126 F127 G128 T129 N132K20-E24 PolarHBondContact O-N 2.98Å; I21-E24 PolarHBondContact O-N 3.07Å; E24-Y26 HydrophobicContact CB-CD1 4.45Å; E24-Y26 HydrophobicContact CB-CE1 3.98Å; E24-Y26 WeakPolarHBondContact O-CD1 3.29Å; E24-Y26 WeakPolarHBondContact O-CE1 3.5Å; E24-Y26 PolarHBondContact O-N 3.34Å; E24-P126 HydrophobicContact CB-CB 3.98Å; E24-P126 HydrophobicContact CG-CB 4.28Å; E24-F127 PolarHBondContact OE2-N 3.02Å; E24-G128 PolarHBondContact OE1-N 3.23Å; E24-T129 PolarHBondContact OE1-N 2.99Å; E24-T129 PolarHBondContact OE1-OG1 2.88Å; E24-N132 VanDerWaalsContact OE1-CB 3.3Å; E24-N132 WeakPolarHBondContact OE1-CB 2.9Å; E24-N132 PolarHBondContact OE1-ND2 3.14Å
25Q91.9Very high92.6Very high9 Ų952 Ų524%0.04227%0.27CS..  trans-71.4104.3179.9-76.6178.7-16.100111.9F16 P19 K20 L23 D80 Y188F16-Q25 HydrophobicContact CD1-CB 4Å; F16-Q25 HydrophobicContact CD1-CG 4.03Å; F16-Q25 HydrophobicContact CD2-CB 4.17Å; F16-Q25 HydrophobicContact CE1-CB 3.82Å; F16-Q25 VanDerWaalsContact CE1-CD 3.44Å; F16-Q25 HydrophobicContact CE1-CG 3.54Å; F16-Q25 HydrophobicContact CE2-CB 4Å; F16-Q25 HydrophobicContact CE2-CG 4.5Å; F16-Q25 HydrophobicContact CG-CB 4.17Å; F16-Q25 HydrophobicContact CZ-CB 3.82Å; F16-Q25 HydrophobicContact CZ-CG 3.81Å; P19-Q25 HydrophobicContact CB-CB 4.09Å; K20-Q25 PolarHBondContact O-N 3.4Å; L23-Q25 VanDerWaalsContact C-N 3.29Å; L23-Q25 HydrophobicContact CB-CG 4.03Å; L23-Q25 PolarHBondContact O-N 3.19Å; Q25-D80 PolarHBondContact NE2-OD2 3.38Å; Q25-Y188 PolarHBondContact O-OH 2.76Å
26Y89.4Confident92.7Very high31 Ų3149.2 Ų49.212%0.12225%0.253CS..  trans-138.4134.4166.352.7-89.1000108.3E24 P125 F127 L184E24-Y26 HydrophobicContact CB-CD1 4.45Å; E24-Y26 HydrophobicContact CB-CE1 3.98Å; E24-Y26 WeakPolarHBondContact O-CD1 3.29Å; E24-Y26 WeakPolarHBondContact O-CE1 3.5Å; E24-Y26 PolarHBondContact O-N 3.34Å; Y26-P125 PolarHBondContact OH-O 2.88Å; Y26-F127 AromaticContact CE2-CE2 3.96Å; Y26-F127 HydrophobicContact CE2-CE2 3.96Å; Y26-F127 AromaticContact CZ-CD2 3.83Å; Y26-F127 AromaticContact CZ-CE2 3.66Å; Y26-F127 WeakPolarHBondContact OH-CD2 3.23Å; Y26-F127 WeakPolarHBondContact OH-CE2 3.24Å; Y26-L184 HydrophobicContact CD2-CD2 3.77Å; Y26-L184 HydrophobicContact CG-CD2 3.72Å
27P89.9Confident92.9Very high43 Ų4347.8 Ų47.828%0.27925%0.247SC..PPolyproline II helixtrans-72144.3179.730.2-33.2000110T15 F16 S29 V61T15-P27 HydrophobicContact CG2-CB 3.59Å; T15-P27 HydrophobicContact CG2-CG 3.85Å; F16-P27 HydrophobicContact CE2-CB 4.43Å; P27-S29 PolarHBondContact O-N 2.84Å; P27-V61 HydrophobicContact CB-CG2 4.49Å
28T93.7Very high93.3Very high12 Ų1244.9 Ų44.97%0.07423%0.231CC..PPolyproline II helixtrans-60.2127.5163.6-510000108.1I32 A33 L62 N124T28-I32 HydrophobicContact CG2-CB 4.18Å; T28-I32 HydrophobicContact CG2-CG2 3.78Å; T28-A33 HydrophobicContact CG2-CB 3.83Å; T28-L62 HydrophobicContact CG2-CD2 4.21Å; T28-N124 WeakPolarHBondContact OG1-CB 3.48Å; T28-N124 PolarHBondContact OG1-ND2 3.4Å
29S93.1Very high93.6Very high42 Ų4239.2 Ų39.229%0.29421%0.207SC..PPolyproline II helixtrans-65.1147.3-178.772.60000110.7P27 H31 I32 A33P27-S29 PolarHBondContact O-N 2.84Å; S29-H31 PolarHBondContact O-N 3.13Å; S29-H31 VanDerWaalsContact O-N 3.16Å; S29-I32 PolarHBondContact O-N 2.94Å; S29-I32 VanDerWaalsContact O-N 3.08Å; S29-I32 WeakPolarHBondContact OG-CB 3.37Å; S29-I32 WeakPolarHBondContact OG-CG1 3.45Å; S29-I32 PolarHBondContact OG-N 2.94Å; S29-A33 WeakPolarHBondContact O-CB 3.27Å; S29-A33 PolarHBondContact O-N 3.04Å
30P95.5Very high93.8Very high38 Ų3837.5 Ų37.525%0.24720%0.196CC..Hα-helixtrans-53.3-39.4-179.5-30.236.2000113.3E7 L10 Q11 A34E7-P30 HydrophobicContact CG-CB 4.34Å; L10-P30 HydrophobicContact CB-CB 3.9Å; Q11-P30 HydrophobicContact CB-CG 4.43Å; Q11-P30 HydrophobicContact CG-CB 3.71Å; Q11-P30 HydrophobicContact CG-CG 3.85Å; P30-A34 WeakPolarHBondContact O-CB 3.23Å; P30-A34 PolarHBondContact O-N 3.46Å
31H93.2Very high94.1Very high102 Ų10235.4 Ų35.447%0.47219%0.187SC..Hα-helixtrans-63.6-47.9177.7-176.863.4000112.8E7 S29 C35E7-H31 IonicContact OE1-ND1 2.82Å; E7-H31 IonicContact OE2-CE1 3.95Å; E7-H31 IonicContact OE2-CG 3.93Å; E7-H31 IonicContact OE2-ND1 3.92Å; E7-H31 PolarHBondContact OE2-ND1 3.48Å; S29-H31 PolarHBondContact O-N 3.13Å; S29-H31 VanDerWaalsContact O-N 3.16Å; H31-C35 WeakPolarHBondContact O-CB 3.31Å; H31-C35 PolarHBondContact O-N 3.33Å; H31-C35 PolarHBondContact O-SG 2.91Å
32I93.6Very high94.6Very high7 Ų735.5 Ų35.54%0.03619%0.189CC..Hα-helixtrans-65.1-47.8178.3-71.1174.6000110.2T28 S29 A34 C35 M36 L154 L180 Y182T28-I32 HydrophobicContact CG2-CB 4.18Å; T28-I32 HydrophobicContact CG2-CG2 3.78Å; S29-I32 PolarHBondContact O-N 2.94Å; S29-I32 VanDerWaalsContact O-N 3.08Å; S29-I32 WeakPolarHBondContact OG-CB 3.37Å; S29-I32 WeakPolarHBondContact OG-CG1 3.45Å; S29-I32 PolarHBondContact OG-N 2.94Å; I32-A34 PolarHBondContact O-N 3.32Å; I32-C35 PolarHBondContact O-N 3.06Å; I32-M36 VanDerWaalsContact O-CB 3.24Å; I32-M36 WeakPolarHBondContact O-CB 3.48Å; I32-M36 PolarHBondContact O-N 2.96Å; I32-L154 HydrophobicContact CG2-CD1 3.84Å; I32-L180 HydrophobicContact CG2-CD1 3.94Å; I32-Y182 HydrophobicContact CD1-CD1 3.57Å; I32-Y182 HydrophobicContact CD1-CD2 3.79Å; I32-Y182 HydrophobicContact CD1-CE1 3.46Å; I32-Y182 VanDerWaalsContact CD1-CE1 3.46Å; I32-Y182 HydrophobicContact CD1-CE2 3.72Å; I32-Y182 HydrophobicContact CD1-CG 3.72Å
33A97.4Very high94.9Very high0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-58.9-46.3178.600000111.4L10 T28 S29 M36 L37 V61 L62L10-A33 HydrophobicContact CD1-CB 3.67Å; T28-A33 HydrophobicContact CG2-CB 3.83Å; S29-A33 WeakPolarHBondContact O-CB 3.27Å; S29-A33 PolarHBondContact O-N 3.04Å; A33-M36 PolarHBondContact O-N 3.21Å; A33-L37 VanDerWaalsContact O-CB 3.3Å; A33-L37 WeakPolarHBondContact O-CB 3.23Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.48Å; A33-L37 PolarHBondContact O-N 2.83Å; A33-V61 HydrophobicContact CB-CG1 3.67Å; A33-L62 HydrophobicContact CB-CD2 3.8Å
34A97.3Very high95.3Very high0 Ų033.9 Ų33.90%018%0.182CC..Hα-helixtrans-62.4-46.2177.900000111.8L3 L6 E7 L10 P30 I32 M36 Y38L3-A34 HydrophobicContact CD1-CB 3.87Å; L3-A34 WeakPolarHBondContact CD1-O 3.49Å; L6-A34 HydrophobicContact CD2-CB 4.22Å; L6-A34 HydrophobicContact CG-CB 4.16Å; E7-A34 HydrophobicContact CB-CB 3.67Å; E7-A34 HydrophobicContact CG-CB 4.25Å; L10-A34 HydrophobicContact CD1-CB 4.16Å; P30-A34 WeakPolarHBondContact O-CB 3.23Å; P30-A34 PolarHBondContact O-N 3.46Å; I32-A34 PolarHBondContact O-N 3.32Å; A34-M36 PolarHBondContact O-N 2.93Å; A34-Y38 WeakPolarHBondContact O-CB 3.48Å; A34-Y38 PolarHBondContact O-N 3.15Å
35C95.9Very high95.7Very high33 Ų3337.2 Ų37.222%0.22320%0.2CC..Hα-helixtrans-64.1-42.4179-690000112H31 I32 T39H31-C35 WeakPolarHBondContact O-CB 3.31Å; H31-C35 PolarHBondContact O-N 3.33Å; H31-C35 PolarHBondContact O-SG 2.91Å; I32-C35 PolarHBondContact O-N 3.06Å; C35-T39 WeakPolarHBondContact O-CB 3.44Å; C35-T39 PolarHBondContact O-N 2.87Å; C35-T39 VanDerWaalsContact O-N 3.1Å; C35-T39 PolarHBondContact O-OG1 2.86Å
36M97.9Very high96Very high1 Ų137.3 Ų37.31%0.00520%0.201CC..Hα-helixtrans-59.3-61.7175.5177.5175.2173.800110.4I32 A33 A34 Y38 T39 I40 L62 I122 L154 F202I32-M36 VanDerWaalsContact O-CB 3.24Å; I32-M36 WeakPolarHBondContact O-CB 3.48Å; I32-M36 PolarHBondContact O-N 2.96Å; A33-M36 PolarHBondContact O-N 3.21Å; A34-M36 PolarHBondContact O-N 2.93Å; M36-Y38 PolarHBondContact O-N 3.47Å; M36-T39 WeakPolarHBondContact O-CB 3.4Å; M36-T39 PolarHBondContact O-N 2.89Å; M36-T39 VanDerWaalsContact O-N 3.12Å; M36-I40 HydrophobicContact CE-CD1 4.2Å; M36-I40 HydrophobicContact CG-CD1 3.94Å; M36-I40 VanDerWaalsContact O-CG1 3.28Å; M36-I40 WeakPolarHBondContact O-CG1 3.32Å; M36-I40 PolarHBondContact O-N 3.36Å; M36-L62 HydrophobicContact CE-CD1 4.43Å; M36-L62 HydrophobicContact SD-CD1 4.46Å; M36-L62 HydrophobicContact SD-CD2 4.14Å; M36-I122 HydrophobicContact CE-CB 4.24Å; M36-L154 HydrophobicContact SD-CD1 4.34Å; M36-L154 HydrophobicContact SD-CD2 4.29Å; M36-L154 HydrophobicContact SD-CG 4.19Å; M36-F202 HydrophobicContact CB-CZ 4.41Å; M36-F202 HydrophobicContact CE-CE2 4.06Å; M36-F202 HydrophobicContact CG-CD2 4.12Å; M36-F202 HydrophobicContact CG-CE1 4.3Å; M36-F202 HydrophobicContact CG-CE2 3.61Å; M36-F202 HydrophobicContact CG-CZ 3.71Å; M36-F202 HydrophobicContact SD-CD2 4.47Å; M36-F202 HydrophobicContact SD-CE2 4.27Å
37L98.7Very high96.5Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-62.5-40.9-175.9-67.7169.6000112.7L6 L10 A33 T39 I40 H41 I47 L62 A66 L69 I122L6-L37 HydrophobicContact CD2-CB 4.15Å; L10-L37 HydrophobicContact CD1-CD1 4.33Å; A33-L37 VanDerWaalsContact O-CB 3.3Å; A33-L37 WeakPolarHBondContact O-CB 3.23Å; A33-L37 VanDerWaalsContact O-CG 3.24Å; A33-L37 WeakPolarHBondContact O-CG 3.48Å; A33-L37 PolarHBondContact O-N 2.83Å; L37-T39 VanDerWaalsContact C-N 3.28Å; L37-T39 PolarHBondContact O-N 3.2Å; L37-I40 PolarHBondContact O-N 3.42Å; L37-H41 WeakPolarHBondContact O-CB 3.49Å; L37-H41 PolarHBondContact O-N 3.34Å; L37-I47 HydrophobicContact CB-CD1 4.29Å; L37-I47 HydrophobicContact CD2-CD1 3.85Å; L37-L62 HydrophobicContact CD1-CD2 4.37Å; L37-L62 HydrophobicContact CG-CD2 4.32Å; L37-A66 HydrophobicContact CD2-CB 4.31Å; L37-L69 HydrophobicContact CB-CD1 3.79Å; L37-I122 HydrophobicContact CD2-CD1 3.92Å
38Y97.7Very high96.9Very high71 Ų7138.5 Ų38.528%0.27820%0.204SC..Hα-helixtrans-63.3-36.3176.7-168.5-90000111.8L3 A34 M36 N42L3-Y38 HydrophobicContact CB-CD1 4.24Å; L3-Y38 HydrophobicContact CB-CD2 3.8Å; L3-Y38 HydrophobicContact CB-CE1 4.36Å; L3-Y38 HydrophobicContact CB-CE2 3.93Å; L3-Y38 HydrophobicContact CB-CG 3.97Å; L3-Y38 HydrophobicContact CD1-CD1 4.43Å; L3-Y38 HydrophobicContact CD1-CD2 4.31Å; L3-Y38 HydrophobicContact CD1-CG 3.88Å; L3-Y38 HydrophobicContact CG-CG 4.46Å; A34-Y38 WeakPolarHBondContact O-CB 3.48Å; A34-Y38 PolarHBondContact O-N 3.15Å; M36-Y38 PolarHBondContact O-N 3.47Å; Y38-N42 VanDerWaalsContact CD1-ND2 3.25Å; Y38-N42 WeakPolarHBondContact CD1-ND2 3.37Å; Y38-N42 WeakPolarHBondContact CD2-ND2 3.48Å; Y38-N42 HydrophobicContact CE1-CB 4.29Å; Y38-N42 WeakPolarHBondContact CE1-ND2 3.49Å; Y38-N42 WeakPolarHBondContact CE2-ND2 3.35Å; Y38-N42 VanDerWaalsContact CG-ND2 3.27Å; Y38-N42 WeakPolarHBondContact O-CB 3.3Å; Y38-N42 PolarHBondContact O-N 2.92Å; Y38-N42 PolarHBondContact O-ND2 2.84Å
39T98.2Very high97.1Very high44 Ų4440.7 Ų40.727%0.2723%0.229SC..Hα-helixtrans-68-44.2174.7-59.90000111.1C35 M36 L37 H41 T43 F44 L177 F202C35-T39 WeakPolarHBondContact O-CB 3.44Å; C35-T39 PolarHBondContact O-N 2.87Å; C35-T39 VanDerWaalsContact O-N 3.1Å; C35-T39 PolarHBondContact O-OG1 2.86Å; M36-T39 WeakPolarHBondContact O-CB 3.4Å; M36-T39 PolarHBondContact O-N 2.89Å; M36-T39 VanDerWaalsContact O-N 3.12Å; L37-T39 VanDerWaalsContact C-N 3.28Å; L37-T39 PolarHBondContact O-N 3.2Å; T39-H41 PolarHBondContact O-N 3.11Å; T39-T43 WeakPolarHBondContact O-CB 3.38Å; T39-T43 PolarHBondContact O-N 2.98Å; T39-T43 PolarHBondContact O-OG1 2.66Å; T39-F44 HydrophobicContact CG2-CE2 4.06Å; T39-L177 HydrophobicContact CG2-CD1 4.4Å; T39-F202 HydrophobicContact CG2-CE1 4.02Å
40I98.5Very high97.4Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-59-48.6177.5-59.7168.2000110.2M36 L37 F44 D45 D46 I47 I122 Y152 F202M36-I40 HydrophobicContact CE-CD1 4.2Å; M36-I40 HydrophobicContact CG-CD1 3.94Å; M36-I40 VanDerWaalsContact O-CG1 3.28Å; M36-I40 WeakPolarHBondContact O-CG1 3.32Å; M36-I40 PolarHBondContact O-N 3.36Å; L37-I40 PolarHBondContact O-N 3.42Å; I40-F44 WeakPolarHBondContact O-CB 3.46Å; I40-F44 PolarHBondContact O-N 3.24Å; I40-D45 PolarHBondContact O-N 3.26Å; I40-D46 HydrophobicContact CG2-CB 3.71Å; I40-D46 PolarHBondContact O-N 2.91Å; I40-I47 HydrophobicContact CB-CD1 3.84Å; I40-I47 HydrophobicContact CB-CG1 4.19Å; I40-I47 HydrophobicContact CG2-CD1 3.84Å; I40-I47 HydrophobicContact CG2-CG1 3.61Å; I40-I122 HydrophobicContact CD1-CG2 3.84Å; I40-Y152 HydrophobicContact CB-CE1 4.43Å; I40-Y152 HydrophobicContact CB-CE2 4.5Å; I40-Y152 HydrophobicContact CD1-CD1 3.95Å; I40-Y152 HydrophobicContact CD1-CD2 3.99Å; I40-Y152 HydrophobicContact CD1-CE1 4.49Å; I40-Y152 HydrophobicContact CD1-CG 3.62Å; I40-Y152 HydrophobicContact CG1-CD1 3.59Å; I40-Y152 HydrophobicContact CG1-CD2 4.05Å; I40-Y152 HydrophobicContact CG1-CE1 3.69Å; I40-Y152 HydrophobicContact CG1-CE2 4.19Å; I40-Y152 HydrophobicContact CG1-CG 3.73Å; I40-Y152 HydrophobicContact CG2-CD2 3.99Å; I40-Y152 HydrophobicContact CG2-CE1 4.35Å; I40-Y152 HydrophobicContact CG2-CE2 3.61Å; I40-F202 HydrophobicContact CD1-CZ 4.25Å; I40-F202 HydrophobicContact CG1-CZ 3.9Å
41H98.2Very high97.6Very high26 Ų2642.2 Ų42.212%0.1223%0.229CC..Hα-helixtrans-67.1-56.6-178.917886.4000112.4L37 T39 D45 I47 E48 L69L37-H41 WeakPolarHBondContact O-CB 3.49Å; L37-H41 PolarHBondContact O-N 3.34Å; T39-H41 PolarHBondContact O-N 3.11Å; H41-D45 WeakPolarHBondContact O-CA 3.38Å; H41-D45 PolarHBondContact O-N 2.82Å; H41-D45 VanDerWaalsContact O-N 3.11Å; H41-I47 HydrophobicContact CB-CB 4.25Å; H41-I47 HydrophobicContact CB-CD1 4.18Å; H41-E48 IonicContact CE1-OE2 3.38Å; H41-L69 HydrophobicContact CB-CD1 3.99Å
42N96.9Very high97.8Very high83 Ų8337.3 Ų37.344%0.44421%0.206SC..Hα-helixtrans-80.2-29.5-169.7-67.2-83000114.6Y38Y38-N42 VanDerWaalsContact CD1-ND2 3.25Å; Y38-N42 WeakPolarHBondContact CD1-ND2 3.37Å; Y38-N42 WeakPolarHBondContact CD2-ND2 3.48Å; Y38-N42 HydrophobicContact CE1-CB 4.29Å; Y38-N42 WeakPolarHBondContact CE1-ND2 3.49Å; Y38-N42 WeakPolarHBondContact CE2-ND2 3.35Å; Y38-N42 VanDerWaalsContact CG-ND2 3.27Å; Y38-N42 WeakPolarHBondContact O-CB 3.3Å; Y38-N42 PolarHBondContact O-N 2.92Å; Y38-N42 PolarHBondContact O-ND2 2.84Å
43T97.4Very high98.1Very high96 Ų9637 Ų3759%0.58920%0.204SC*.Hα-helixtrans-93.5-33.8-175.1-52.40000111.7T39T39-T43 WeakPolarHBondContact O-CB 3.38Å; T39-T43 PolarHBondContact O-N 2.98Å; T39-T43 PolarHBondContact O-OG1 2.66Å
44F97.9Very high98.2Very high56 Ų5637.1 Ų37.125%0.24621%0.205CC..Hα-helixtrans-118.1-10.2-171.3-59.1-78.2000114.2T39 I40 D46 Y152 L177T39-F44 HydrophobicContact CG2-CE2 4.06Å; I40-F44 WeakPolarHBondContact O-CB 3.46Å; I40-F44 PolarHBondContact O-N 3.24Å; F44-D46 HydrophobicContact CB-CB 4.21Å; F44-D46 PolarHBondContact O-N 3.06Å; F44-Y152 WeakPolarHBondContact CB-OH 3.46Å; F44-Y152 HydrophobicContact CD2-CE1 4.15Å; F44-Y152 WeakPolarHBondContact CD2-OH 3.47Å; F44-Y152 HydrophobicContact CE2-CE1 4.42Å; F44-Y152 WeakPolarHBondContact CG-OH 3.32Å; F44-L177 HydrophobicContact CE2-CD1 3.6Å; F44-L177 HydrophobicContact CE2-CD2 4.14Å; F44-L177 HydrophobicContact CZ-CD1 4Å; F44-L177 HydrophobicContact CZ-CD2 3.69Å
45D98Very high98.2Very high87 Ų8737.1 Ų37.147%0.46521%0.205SC..  trans5533.8-176.9-169.543.4000112.8I40 H41 K50I40-D45 PolarHBondContact O-N 3.26Å; H41-D45 WeakPolarHBondContact O-CA 3.38Å; H41-D45 PolarHBondContact O-N 2.82Å; H41-D45 VanDerWaalsContact O-N 3.11Å; D45-K50 WeakPolarHBondContact O-CE 3.27Å; D45-K50 IonicContact OD2-NZ 3.88Å
46D98.6Very high98.3Very high11 Ų1136.6 Ų36.66%0.05921%0.205CC..  trans-99.315.3-172.5-84.5-28.8000112.3I40 F44 T120 Y152 R204I40-D46 HydrophobicContact CG2-CB 3.71Å; I40-D46 PolarHBondContact O-N 2.91Å; F44-D46 HydrophobicContact CB-CB 4.21Å; F44-D46 PolarHBondContact O-N 3.06Å; D46-T120 HydrophobicContact CB-CG2 4.27Å; D46-T120 VanDerWaalsContact O-CB 3.27Å; D46-T120 WeakPolarHBondContact O-CB 3.01Å; D46-T120 WeakPolarHBondContact O-CG2 3.3Å; D46-T120 PolarHBondContact O-OG1 3.2Å; D46-Y152 HydrophobicContact CB-CE2 3.91Å; D46-Y152 PolarHBondContact OD2-OH 2.93Å; D46-R204 IonicContact OD2-CZ 2.99Å; D46-R204 IonicContact OD2-NE 2.69Å; D46-R204 IonicContact OD2-NH2 3.26Å; D46-R204 PolarHBondContact OD2-NH2 2.82Å
47I98.7Very high98.3Very high0 Ų037 Ų370%021%0.208CC..SBendtrans-123.7-54.5175.9-68.2177.1000113.3L37 I40 H41 G49 K50 A66 L69 A71L37-I47 HydrophobicContact CB-CD1 4.29Å; L37-I47 HydrophobicContact CD2-CD1 3.85Å; I40-I47 HydrophobicContact CB-CD1 3.84Å; I40-I47 HydrophobicContact CB-CG1 4.19Å; I40-I47 HydrophobicContact CG2-CD1 3.84Å; I40-I47 HydrophobicContact CG2-CG1 3.61Å; H41-I47 HydrophobicContact CB-CB 4.25Å; H41-I47 HydrophobicContact CB-CD1 4.18Å; I47-G49 PolarHBondContact O-N 2.99Å; I47-K50 VanDerWaalsContact O-CB 3.29Å; I47-K50 WeakPolarHBondContact O-CB 3.3Å; I47-K50 WeakPolarHBondContact O-CG 3.48Å; I47-K50 PolarHBondContact O-N 2.79Å; I47-A66 HydrophobicContact CG2-CB 4.45Å; I47-A66 WeakPolarHBondContact CG2-O 3.35Å; I47-L69 HydrophobicContact CD1-CD1 4.02Å; I47-L69 HydrophobicContact CG2-CB 3.79Å; I47-A71 HydrophobicContact CG2-CB 4.1Å; I47-A71 WeakPolarHBondContact O-CA 3.15Å
48E98.6Very high98.3Very high100 Ų10037.2 Ų37.247%0.46721%0.211SC..BIsolated β-bridgetrans-60.1126.4-170.5-172.3174.5176.600111.5H41 K50 D70H41-E48 IonicContact CE1-OE2 3.38Å; E48-K50 PolarHBondContact O-N 2.95Å; E48-D70 HydrophobicContact CG-CB 4.2Å
49G98.6Very high98.3Very high58 Ų5834 Ų3460%0.59820%0.199SC*.THydrogen-bonded Turntrans63.18-177.100000115.2I47 D70I47-G49 PolarHBondContact O-N 2.99Å; G49-D70 PolarHBondContact N-O 2.82Å
50K98.8Very high98.3Very high58 Ų5832 Ų3225%0.25219%0.186SC..  trans-88.8154.6-178.2-54.1-47.3-178.9-158.50112.2D45 I47 E48 V52 G72 L73 D119D45-K50 WeakPolarHBondContact O-CE 3.27Å; D45-K50 IonicContact OD2-NZ 3.88Å; I47-K50 VanDerWaalsContact O-CB 3.29Å; I47-K50 WeakPolarHBondContact O-CB 3.3Å; I47-K50 WeakPolarHBondContact O-CG 3.48Å; I47-K50 PolarHBondContact O-N 2.79Å; E48-K50 PolarHBondContact O-N 2.95Å; K50-V52 HydrophobicContact CB-CG2 4.16Å; K50-G72 PolarHBondContact O-N 3.28Å; K50-L73 PolarHBondContact O-N 2.8Å; K50-D119 HydrophobicContact CB-CB 4.02Å; K50-D119 HydrophobicContact CD-CB 4.39Å; K50-D119 HydrophobicContact CG-CB 4.44Å
51L98.8Very high98.3Very high53 Ų5332.4 Ų32.428%0.27719%0.188SC..EExtended strand (participates in β ladder)trans-85.6110.8164.4178.356.4000109.2L73 V75 K117 F118 D119 T120L51-L73 WeakPolarHBondContact CA-O 3.25Å; L51-L73 HydrophobicContact CD1-CB 3.83Å; L51-L73 HydrophobicContact CD1-CD2 3.92Å; L51-L73 HydrophobicContact CD1-CG 4.02Å; L51-V75 HydrophobicContact CD1-CG2 4.39Å; L51-K117 WeakPolarHBondContact CD2-O 3.45Å; L51-F118 HydrophobicContact CD1-CD1 4Å; L51-F118 HydrophobicContact CD1-CE1 3.87Å; L51-F118 HydrophobicContact CD2-CD1 4.3Å; L51-F118 HydrophobicContact CD2-CE1 4.48Å; L51-F118 HydrophobicContact CG-CD1 3.61Å; L51-F118 HydrophobicContact CG-CE1 3.95Å; L51-F118 HydrophobicContact CG-CG 4.44Å; L51-D119 PolarHBondContact N-OD2 2.82Å; L51-D119 PolarHBondContact O-N 2.84Å; L51-T120 PolarHBondContact O-N 3.4Å
52V98.9Very high98.4Very high0 Ų031.4 Ų31.40%018%0.184CC..EExtended strand (participates in β ladder)trans-108.5136.7-173.3-176.30000110.5K50 A71 L73 C74 V75 F118 T120 I122K50-V52 HydrophobicContact CB-CG2 4.16Å; V52-A71 HydrophobicContact CG2-CB 4.12Å; V52-L73 PolarHBondContact N-O 2.86Å; V52-C74 HydrophobicContact CB-CB 4.41Å; V52-C74 CarbonylContact O-C 3.48Å; V52-C74 VanDerWaalsContact O-CA 3.32Å; V52-C74 WeakPolarHBondContact O-CA 3.22Å; V52-V75 PolarHBondContact O-N 2.93Å; V52-F118 VanDerWaalsContact C-CD1 3.46Å; V52-T120 CarbonylContact C-O 3.6Å; V52-T120 VanDerWaalsContact CA-O 3.3Å; V52-T120 WeakPolarHBondContact CA-O 3.46Å; V52-I122 HydrophobicContact CG1-CD1 3.96Å; V52-I122 HydrophobicContact CG1-CG1 4.03Å; V52-I122 HydrophobicContact CG1-CG2 4.26Å
53A98.9Very high98.4Very high0 Ų027.4 Ų27.40%016%0.163CC..EExtended strand (participates in β ladder)trans-107.1139.1165.500000110.9L55 V75 F77 F118 T120 V121 I122 M146A53-L55 HydrophobicContact CB-CD2 4.31Å; A53-V75 WeakPolarHBondContact CA-O 3.43Å; A53-F77 HydrophobicContact CB-CD2 4.27Å; A53-F77 HydrophobicContact CB-CE2 3.81Å; A53-F118 HydrophobicContact CB-CB 4.26Å; A53-F118 HydrophobicContact CB-CD1 3.52Å; A53-F118 HydrophobicContact CB-CD2 3.92Å; A53-F118 HydrophobicContact CB-CE1 3.74Å; A53-F118 HydrophobicContact CB-CE2 4.1Å; A53-F118 HydrophobicContact CB-CG 3.62Å; A53-F118 HydrophobicContact CB-CZ 4.03Å; A53-T120 PolarHBondContact N-O 2.97Å; A53-V121 HydrophobicContact CB-CG1 4.29Å; A53-V121 HydrophobicContact CB-CG2 4.2Å; A53-V121 CarbonylContact O-C 3.52Å; A53-V121 WeakPolarHBondContact O-CA 3.48Å; A53-I122 PolarHBondContact O-N 2.96Å; A53-M146 HydrophobicContact CB-CE 4.34Å
54D98.8Very high98.5Very high2 Ų222.9 Ų22.91%0.01114%0.135CC..EExtended strand (participates in β ladder)trans-113.6108.1172.1-174.36.8000109.4C57 L62 S63 V75 F77 I122D54-C57 HydrophobicContact CB-CB 3.94Å; D54-C57 VanDerWaalsContact CG-CB 3.48Å; D54-C57 VanDerWaalsContact OD2-CB 3.29Å; D54-C57 WeakPolarHBondContact OD2-CB 3.18Å; D54-L62 WeakPolarHBondContact OD2-CB 3.13Å; D54-S63 WeakPolarHBondContact CB-OG 3.42Å; D54-S63 PolarHBondContact OD2-N 2.83Å; D54-S63 VanDerWaalsContact OD2-N 3.09Å; D54-S63 PolarHBondContact OD2-OG 3.4Å; D54-V75 PolarHBondContact N-O 3.26Å; D54-F77 PolarHBondContact O-N 3.48Å; D54-I122 WeakPolarHBondContact CA-O 3.35Å; D54-I122 HydrophobicContact CB-CD1 4.45Å; D54-I122 HydrophobicContact CB-CG1 4.03Å
55L98.4Very high98.6Very high0 Ų020.2 Ų20.20%012%0.123CC..EExtended strand (participates in β ladder)trans-93.2118.8-174.7-56.1-169.3000111.5A53 F77 L106 V121 I122 M123 F139 A143 M146A53-L55 HydrophobicContact CB-CD2 4.31Å; L55-F77 HydrophobicContact CD2-CB 4Å; L55-F77 HydrophobicContact CD2-CD2 3.69Å; L55-F77 HydrophobicContact CD2-CE2 4.33Å; L55-F77 HydrophobicContact CD2-CG 3.85Å; L55-L106 HydrophobicContact CB-CD1 3.79Å; L55-L106 HydrophobicContact CD1-CD2 4.48Å; L55-L106 HydrophobicContact CD2-CD1 4.43Å; L55-L106 HydrophobicContact CD2-CD2 3.98Å; L55-V121 HydrophobicContact CD1-CG1 3.86Å; L55-V121 HydrophobicContact CD2-CG1 4.46Å; L55-V121 HydrophobicContact CG-CG1 3.69Å; L55-I122 PolarHBondContact N-O 3.14Å; L55-I122 VanDerWaalsContact N-O 3.11Å; L55-M123 HydrophobicContact CB-CB 4.13Å; L55-M123 HydrophobicContact CB-SD 4.32Å; L55-M123 HydrophobicContact CD1-SD 4.42Å; L55-M123 WeakPolarHBondContact O-CB 3.39Å; L55-F139 HydrophobicContact CB-CD1 4.09Å; L55-F139 HydrophobicContact CB-CE1 4.44Å; L55-A143 HydrophobicContact CD1-CB 3.81Å; L55-M146 HydrophobicContact CD1-SD 4.3Å; L55-M146 HydrophobicContact CD2-CE 3.99Å; L55-M146 HydrophobicContact CD2-SD 4.11Å
56G97.6Very high98.6Very high22 Ų2216 Ų1623%0.22710%0.101CC..THydrogen-bonded Turntrans72.149.8-168.500000110.4G58 F77G56-G58 PolarHBondContact O-N 2.95Å; G56-G58 VanDerWaalsContact O-N 3.14Å; G56-F77 VanDerWaalsContact CA-O 3.26Å; G56-F77 WeakPolarHBondContact CA-O 3.41Å; G56-F77 PolarHBondContact N-O 3.27Å
57C98.3Very high98.6Very high10 Ų1015.7 Ų15.77%0.06810%0.099CC..  trans-65.2-18.4-169.565.90000113.4D54 C59 G60 F77 F87D54-C57 HydrophobicContact CB-CB 3.94Å; D54-C57 VanDerWaalsContact CG-CB 3.48Å; D54-C57 VanDerWaalsContact OD2-CB 3.29Å; D54-C57 WeakPolarHBondContact OD2-CB 3.18Å; C57-C59 PolarHBondContact O-N 2.94Å; C57-G60 WeakPolarHBondContact O-CA 3.39Å; C57-G60 PolarHBondContact O-N 3.01Å; C57-F77 PolarHBondContact N-O 3.45Å; C57-F77 VanDerWaalsContact N-O 3.11Å; C57-F87 HydrophobicContact CB-CE1 4.27Å
58G98.2Very high98.6Very high5 Ų517.3 Ų17.35%0.05211%0.108CC..THydrogen-bonded Turntrans52.4-131.1-17500000111.1G56 G60 E78G56-G58 PolarHBondContact O-N 2.95Å; G56-G58 VanDerWaalsContact O-N 3.14Å; G58-G60 PolarHBondContact O-N 3.43Å; G58-E78 WeakPolarHBondContact CA-OE2 3.38Å; G58-E78 PolarHBondContact N-OE2 2.88Å
59C98.4Very high98.6Very high4 Ų412.6 Ų12.63%0.0279%0.086CC..THydrogen-bonded Turntrans-76.25177.4-54.60000114.5D14 F16 C57 I86 F87 N90D14-C59 VanDerWaalsContact O-CB 3.3Å; D14-C59 WeakPolarHBondContact O-CB 3.31Å; F16-C59 PolarHBondContact N-SG 3.23Å; C57-C59 PolarHBondContact O-N 2.94Å; C59-I86 HydrophobicContact CB-CB 4.4Å; C59-I86 HydrophobicContact CB-CG2 3.88Å; C59-F87 WeakPolarHBondContact O-CA 3.23Å; C59-N90 PolarHBondContact O-ND2 2.94Å
60G98.4Very high98.6Very high0 Ų014.8 Ų14.80%08%0.084CC..SBendtrans91.915.8168.400000116.7C57 G58 L62 S63 I64C57-G60 WeakPolarHBondContact O-CA 3.39Å; C57-G60 PolarHBondContact O-N 3.01Å; G58-G60 PolarHBondContact O-N 3.43Å; G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 3.45Å; G60-S63 PolarHBondContact O-N 3.26Å; G60-I64 WeakPolarHBondContact O-CB 3.37Å; G60-I64 WeakPolarHBondContact O-CD1 3.44Å; G60-I64 VanDerWaalsContact O-CG1 3.25Å; G60-I64 WeakPolarHBondContact O-CG1 3.2Å; G60-I64 PolarHBondContact O-N 3.29Å
61V98.6Very high98.6Very high9 Ų912.2 Ų12.26%0.0557%0.073CC..Hα-helixtrans-53.1-46.5-178178.90000112.3L10 V13 P27 A33 G65L10-V61 HydrophobicContact CD2-CG1 4.27Å; L10-V61 VanDerWaalsContact CD2-O 3.28Å; L10-V61 WeakPolarHBondContact CD2-O 3.4Å; V13-V61 HydrophobicContact CB-CG2 4.37Å; V13-V61 HydrophobicContact CG1-CG2 3.83Å; P27-V61 HydrophobicContact CB-CG2 4.49Å; A33-V61 HydrophobicContact CB-CG1 3.67Å; V61-G65 PolarHBondContact O-N 3.07Å
62L98.8Very high98.6Very high5 Ų512 Ų123%0.0268%0.083CC..Hα-helixtrans-72.7-43.3179.7-67.6-177.8000111.5T28 A33 M36 L37 D54 G60 G65 A66 I122 N124T28-L62 HydrophobicContact CG2-CD2 4.21Å; A33-L62 HydrophobicContact CB-CD2 3.8Å; M36-L62 HydrophobicContact CE-CD1 4.43Å; M36-L62 HydrophobicContact SD-CD1 4.46Å; M36-L62 HydrophobicContact SD-CD2 4.14Å; L37-L62 HydrophobicContact CD1-CD2 4.37Å; L37-L62 HydrophobicContact CG-CD2 4.32Å; D54-L62 WeakPolarHBondContact OD2-CB 3.13Å; G60-L62 VanDerWaalsContact C-N 3.3Å; G60-L62 PolarHBondContact O-N 3.45Å; L62-G65 PolarHBondContact O-N 3.42Å; L62-A66 WeakPolarHBondContact O-CB 3.27Å; L62-A66 PolarHBondContact O-N 2.81Å; L62-I122 HydrophobicContact CB-CD1 3.88Å; L62-I122 HydrophobicContact CB-CG1 4.49Å; L62-N124 HydrophobicContact CD1-CB 4.26Å
63S98.8Very high98.6Very high0 Ų014.8 Ų14.80%010%0.098CC..Hα-helixtrans-59.9-46.8177.4-64.50000113.6D54 G60 G65 A66 A67D54-S63 WeakPolarHBondContact CB-OG 3.42Å; D54-S63 PolarHBondContact OD2-N 2.83Å; D54-S63 VanDerWaalsContact OD2-N 3.09Å; D54-S63 PolarHBondContact OD2-OG 3.4Å; G60-S63 PolarHBondContact O-N 3.26Å; S63-G65 VanDerWaalsContact C-N 3.33Å; S63-G65 PolarHBondContact O-N 2.99Å; S63-A66 PolarHBondContact O-N 3.1Å; S63-A67 WeakPolarHBondContact O-CB 3.49Å; S63-A67 PolarHBondContact O-N 3.11Å
64I98.8Very high98.6Very high0 Ų014.8 Ų14.80%010%0.098CC..Hα-helixtrans-60.4-45.7175.8-71162.4000110L10 V13 G60 A66 A67 L68 F87 N90 F94 L96L10-I64 HydrophobicContact CD2-CG2 4.31Å; V13-I64 HydrophobicContact CB-CD1 4.31Å; V13-I64 HydrophobicContact CG1-CD1 3.59Å; V13-I64 HydrophobicContact CG2-CB 4.41Å; V13-I64 HydrophobicContact CG2-CD1 3.73Å; V13-I64 HydrophobicContact CG2-CG2 4Å; G60-I64 WeakPolarHBondContact O-CB 3.37Å; G60-I64 WeakPolarHBondContact O-CD1 3.44Å; G60-I64 VanDerWaalsContact O-CG1 3.25Å; G60-I64 WeakPolarHBondContact O-CG1 3.2Å; G60-I64 PolarHBondContact O-N 3.29Å; I64-A66 VanDerWaalsContact C-N 3.34Å; I64-A66 PolarHBondContact O-N 3.49Å; I64-A67 PolarHBondContact O-N 3.04Å; I64-L68 HydrophobicContact CG2-CD1 3.9Å; I64-L68 HydrophobicContact CG2-CG 4.34Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.49Å; I64-L68 PolarHBondContact O-N 2.93Å; I64-F87 HydrophobicContact CD1-CD2 4.35Å; I64-F87 HydrophobicContact CD1-CE2 4.41Å; I64-F87 HydrophobicContact CG1-CD2 4.41Å; I64-F87 HydrophobicContact CG1-CE2 3.98Å; I64-N90 HydrophobicContact CD1-CB 3.46Å; I64-N90 VanDerWaalsContact CD1-CB 3.46Å; I64-F94 HydrophobicContact CG2-CD1 4.11Å; I64-F94 HydrophobicContact CG2-CE1 4.18Å; I64-F94 HydrophobicContact CG2-CG 4.3Å; I64-F94 HydrophobicContact CG2-CZ 4.44Å; I64-L96 HydrophobicContact CB-CD1 4.24Å; I64-L96 HydrophobicContact CG1-CD1 4.08Å; I64-L96 HydrophobicContact CG2-CD1 4.04Å
65G98.8Very high98.6Very high0 Ų015.5 Ų15.50%010%0.103CC..Hα-helixtrans-65.2-36.4178.300000113.3V61 L62 S63 L69V61-G65 PolarHBondContact O-N 3.07Å; L62-G65 PolarHBondContact O-N 3.42Å; S63-G65 VanDerWaalsContact C-N 3.33Å; S63-G65 PolarHBondContact O-N 2.99Å; G65-L69 VanDerWaalsContact O-CG 3.3Å; G65-L69 WeakPolarHBondContact O-CG 3.3Å; G65-L69 PolarHBondContact O-N 2.88Å
66A98.8Very high98.6Very high0 Ų015.5 Ų15.50%010%0.103CC..Hα-helixtrans-65.3-42.8173.100000111.5L37 I47 L62 S63 I64 L69 A71 I122L37-A66 HydrophobicContact CD2-CB 4.31Å; I47-A66 HydrophobicContact CG2-CB 4.45Å; I47-A66 WeakPolarHBondContact CG2-O 3.35Å; L62-A66 WeakPolarHBondContact O-CB 3.27Å; L62-A66 PolarHBondContact O-N 2.81Å; S63-A66 PolarHBondContact O-N 3.1Å; I64-A66 VanDerWaalsContact C-N 3.34Å; I64-A66 PolarHBondContact O-N 3.49Å; A66-L69 CarbonylContact O-C 3.49Å; A66-L69 PolarHBondContact O-N 3.07Å; A66-L69 VanDerWaalsContact O-N 3.17Å; A66-A71 HydrophobicContact CB-CB 4.44Å; A66-A71 VanDerWaalsContact O-CB 3.3Å; A66-A71 WeakPolarHBondContact O-CB 3.17Å; A66-A71 PolarHBondContact O-N 3.17Å; A66-A71 VanDerWaalsContact O-N 3.15Å; A66-I122 HydrophobicContact CB-CD1 4.19Å
67A98.8Very high98.6Very high3 Ų314.5 Ų14.53%0.0259%0.092CC..Hα-helixtrans-63.4-41.5176.400000112.8S63 I64 L69 D70 L96 N98 V99S63-A67 WeakPolarHBondContact O-CB 3.49Å; S63-A67 PolarHBondContact O-N 3.11Å; I64-A67 PolarHBondContact O-N 3.04Å; A67-L69 PolarHBondContact O-N 3.43Å; A67-D70 PolarHBondContact O-N 3.4Å; A67-D70 VanDerWaalsContact O-N 3.07Å; A67-L96 HydrophobicContact CB-CD1 3.88Å; A67-L96 HydrophobicContact CB-CD2 4.11Å; A67-L96 HydrophobicContact CB-CG 4.46Å; A67-N98 WeakPolarHBondContact CB-OD1 3.27Å; A67-N98 PolarHBondContact O-ND2 2.9Å; A67-V99 HydrophobicContact CB-CG2 3.57Å
68L98.6Very high98.6Very high34 Ų3414.8 Ų14.818%0.1789%0.092CC..Hα-helixtrans-66.5-17.9174.1-72.5174000113.9M1 L6 C9 I64 D70 F94 L96M1-L68 HydrophobicContact CE-CB 4.07Å; M1-L68 HydrophobicContact CE-CD2 4.43Å; L6-L68 HydrophobicContact CD1-CB 4.39Å; L6-L68 HydrophobicContact CD1-CD1 4.46Å; C9-L68 HydrophobicContact CB-CD1 3.75Å; I64-L68 HydrophobicContact CG2-CD1 3.9Å; I64-L68 HydrophobicContact CG2-CG 4.34Å; I64-L68 WeakPolarHBondContact O-CB 3.48Å; I64-L68 VanDerWaalsContact O-CG 3.27Å; I64-L68 WeakPolarHBondContact O-CG 3.49Å; I64-L68 PolarHBondContact O-N 2.93Å; L68-D70 VanDerWaalsContact C-N 3.31Å; L68-F94 HydrophobicContact CD1-CD1 4.16Å; L68-F94 HydrophobicContact CD1-CE1 4.15Å; L68-F94 HydrophobicContact CD2-CD1 4.36Å; L68-L96 HydrophobicContact CD2-CD2 4.13Å
69L98.6Very high98.6Very high2 Ų217.9 Ų17.91%0.0111%0.107CC..THydrogen-bonded Turntrans-98.524.4173.1-69.3174.8000111.9M1 L6 L37 H41 I47 G65 A66 A67 A71M1-L69 HydrophobicContact CB-CD2 4.23Å; L6-L69 HydrophobicContact CD1-CG 4.39Å; L6-L69 HydrophobicContact CD2-CD1 3.83Å; L6-L69 HydrophobicContact CD2-CD2 4.33Å; L6-L69 HydrophobicContact CD2-CG 4.24Å; L37-L69 HydrophobicContact CB-CD1 3.79Å; H41-L69 HydrophobicContact CB-CD1 3.99Å; I47-L69 HydrophobicContact CD1-CD1 4.02Å; I47-L69 HydrophobicContact CG2-CB 3.79Å; G65-L69 VanDerWaalsContact O-CG 3.3Å; G65-L69 WeakPolarHBondContact O-CG 3.3Å; G65-L69 PolarHBondContact O-N 2.88Å; A66-L69 CarbonylContact O-C 3.49Å; A66-L69 PolarHBondContact O-N 3.07Å; A66-L69 VanDerWaalsContact O-N 3.17Å; A67-L69 PolarHBondContact O-N 3.43Å; L69-A71 PolarHBondContact O-N 3.2Å
70D98.4Very high98.6Very high104 Ų10418.3 Ų18.356%0.55611%0.109SC*.THydrogen-bonded Turntrans6335.6173-59.9-53.8000114.1E48 G49 A67 L68 G72E48-D70 HydrophobicContact CG-CB 4.2Å; G49-D70 PolarHBondContact N-O 2.82Å; A67-D70 PolarHBondContact O-N 3.4Å; A67-D70 VanDerWaalsContact O-N 3.07Å; L68-D70 VanDerWaalsContact C-N 3.31Å; D70-G72 PolarHBondContact O-N 3.3Å
71A98.8Very high98.5Very high3 Ų320.6 Ų20.63%0.02512%0.12CC..BIsolated β-bridgetrans-53.7139.8164.100000110.6I47 V52 A66 L69 L73 N98I47-A71 HydrophobicContact CG2-CB 4.1Å; I47-A71 WeakPolarHBondContact O-CA 3.15Å; V52-A71 HydrophobicContact CG2-CB 4.12Å; A66-A71 HydrophobicContact CB-CB 4.44Å; A66-A71 VanDerWaalsContact O-CB 3.3Å; A66-A71 WeakPolarHBondContact O-CB 3.17Å; A66-A71 PolarHBondContact O-N 3.17Å; A66-A71 VanDerWaalsContact O-N 3.15Å; L69-A71 PolarHBondContact O-N 3.2Å; A71-L73 VanDerWaalsContact C-N 3.34Å; A71-N98 PolarHBondContact O-ND2 3.35Å
72G98.7Very high98.5Very high48 Ų4824.3 Ų24.350%0.49514%0.139SC..SBendtrans-64.3-42.6177.600000111.5K50 D70K50-G72 PolarHBondContact O-N 3.28Å; D70-G72 PolarHBondContact O-N 3.3Å
73L98.8Very high98.5Very high60 Ų6024 Ų2431%0.31414%0.138SC..EExtended strand (participates in β ladder)trans-156.9134.8167.8175.264.8000108.4K50 L51 V52 A71 V75 N98 D100K50-L73 PolarHBondContact O-N 2.8Å; L51-L73 WeakPolarHBondContact CA-O 3.25Å; L51-L73 HydrophobicContact CD1-CB 3.83Å; L51-L73 HydrophobicContact CD1-CD2 3.92Å; L51-L73 HydrophobicContact CD1-CG 4.02Å; V52-L73 PolarHBondContact N-O 2.86Å; A71-L73 VanDerWaalsContact C-N 3.34Å; L73-V75 HydrophobicContact CD2-CG2 4.02Å; L73-V75 HydrophobicContact CG-CG2 4.06Å; L73-N98 WeakPolarHBondContact CA-O 3.36Å; L73-D100 HydrophobicContact CD1-CB 4.22Å
74C98.8Very high98.5Very high0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-110.1124.5169.1-170.10000110.3V52 N98 V99 D100V52-C74 HydrophobicContact CB-CB 4.41Å; V52-C74 CarbonylContact O-C 3.48Å; V52-C74 VanDerWaalsContact O-CA 3.32Å; V52-C74 WeakPolarHBondContact O-CA 3.22Å; C74-N98 PolarHBondContact N-O 2.92Å; C74-V99 CarbonylContact O-C 3.56Å; C74-V99 VanDerWaalsContact O-CA 3.29Å; C74-V99 WeakPolarHBondContact O-CA 3.29Å; C74-D100 PolarHBondContact O-N 3.42Å
75V98.8Very high98.5Very high16 Ų1629.4 Ų29.410%0.09716%0.163CC..EExtended strand (participates in β ladder)trans-108.3115.9177.3-173.10000109.4L51 V52 A53 D54 L73 F77 D100 F118L51-V75 HydrophobicContact CD1-CG2 4.39Å; V52-V75 PolarHBondContact O-N 2.93Å; A53-V75 WeakPolarHBondContact CA-O 3.43Å; D54-V75 PolarHBondContact N-O 3.26Å; L73-V75 HydrophobicContact CD2-CG2 4.02Å; L73-V75 HydrophobicContact CG-CG2 4.06Å; V75-F77 HydrophobicContact CB-CE2 3.95Å; V75-F77 HydrophobicContact CG1-CD2 4.28Å; V75-F77 HydrophobicContact CG1-CE2 3.66Å; V75-F77 HydrophobicContact CG1-CZ 4Å; V75-F77 WeakPolarHBondContact O-CD2 3.49Å; V75-D100 CarbonylContact C-O 3.57Å; V75-D100 WeakPolarHBondContact CA-O 3.29Å; V75-D100 HydrophobicContact CG2-CB 4.31Å; V75-F118 HydrophobicContact CB-CE1 3.84Å; V75-F118 HydrophobicContact CB-CZ 4.05Å; V75-F118 HydrophobicContact CG2-CE1 3.77Å; V75-F118 HydrophobicContact CG2-CZ 4.15Å
76G98.7Very high98.4Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-87.7130175.500000112.2D100 L102G76-D100 PolarHBondContact N-O 3.26Å; G76-L102 PolarHBondContact O-N 2.96Å
77F98.5Very high98.4Very high1 Ų130 Ų300%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-110.5121.7176.8-64.8-108.1000109A53 D54 L55 G56 C57 V75 L102 L106 L109 Y114 F118 M146A53-F77 HydrophobicContact CB-CD2 4.27Å; A53-F77 HydrophobicContact CB-CE2 3.81Å; D54-F77 PolarHBondContact O-N 3.48Å; L55-F77 HydrophobicContact CD2-CB 4Å; L55-F77 HydrophobicContact CD2-CD2 3.69Å; L55-F77 HydrophobicContact CD2-CE2 4.33Å; L55-F77 HydrophobicContact CD2-CG 3.85Å; G56-F77 VanDerWaalsContact CA-O 3.26Å; G56-F77 WeakPolarHBondContact CA-O 3.41Å; G56-F77 PolarHBondContact N-O 3.27Å; C57-F77 PolarHBondContact N-O 3.45Å; C57-F77 VanDerWaalsContact N-O 3.11Å; V75-F77 HydrophobicContact CB-CE2 3.95Å; V75-F77 HydrophobicContact CG1-CD2 4.28Å; V75-F77 HydrophobicContact CG1-CE2 3.66Å; V75-F77 HydrophobicContact CG1-CZ 4Å; V75-F77 WeakPolarHBondContact O-CD2 3.49Å; F77-L102 WeakPolarHBondContact CA-O 3.49Å; F77-L102 HydrophobicContact CD1-CB 4.34Å; F77-L102 HydrophobicContact CD1-CD2 3.74Å; F77-L102 HydrophobicContact CD1-CG 4.49Å; F77-L102 HydrophobicContact CE1-CD2 3.48Å; F77-L102 VanDerWaalsContact CE1-CD2 3.48Å; F77-L102 HydrophobicContact CZ-CD2 4.4Å; F77-L106 HydrophobicContact CB-CD1 4.35Å; F77-L106 HydrophobicContact CB-CD2 4.22Å; F77-L106 HydrophobicContact CB-CG 4.47Å; F77-L106 HydrophobicContact CD1-CD2 4.49Å; F77-L109 HydrophobicContact CD1-CD2 4.41Å; F77-L109 HydrophobicContact CE1-CD2 4.44Å; F77-Y114 HydrophobicContact CE1-CE1 4.31Å; F77-Y114 HydrophobicContact CZ-CD1 4.48Å; F77-Y114 HydrophobicContact CZ-CE1 4.39Å; F77-F118 HydrophobicContact CE2-CE1 4.45Å; F77-F118 HydrophobicContact CE2-CE2 4.14Å; F77-F118 AromaticContact CE2-CZ 3.76Å; F77-F118 HydrophobicContact CE2-CZ 3.76Å; F77-F118 AromaticContact CZ-CE2 3.86Å; F77-F118 HydrophobicContact CZ-CE2 3.86Å; F77-F118 AromaticContact CZ-CZ 3.7Å; F77-F118 HydrophobicContact CZ-CZ 3.7Å; F77-M146 HydrophobicContact CE1-CE 3.97Å; F77-M146 HydrophobicContact CE2-CE 3.94Å; F77-M146 HydrophobicContact CZ-CE 3.61Å
78E98.2Very high98.4Very high16 Ų1634.3 Ų34.38%0.07518%0.182CC..EExtended strand (participates in β ladder)trans-147.5143.9-177.7178.850.6-112.700110.8G58 D80 A83 L84 L102 Q103 C104G58-E78 WeakPolarHBondContact CA-OE2 3.38Å; G58-E78 PolarHBondContact N-OE2 2.88Å; E78-D80 HydrophobicContact CG-CB 4.3Å; E78-D80 PolarHBondContact OE1-N 2.9Å; E78-D80 VanDerWaalsContact OE1-N 3.08Å; E78-A83 HydrophobicContact CG-CB 4.01Å; E78-L84 HydrophobicContact CB-CD1 4.27Å; E78-L84 HydrophobicContact CB-CD2 3.66Å; E78-L84 HydrophobicContact CB-CG 3.84Å; E78-L84 HydrophobicContact CG-CD2 4.3Å; E78-L84 HydrophobicContact CG-CG 4.09Å; E78-L102 PolarHBondContact N-O 3.44Å; E78-L102 VanDerWaalsContact N-O 3.15Å; E78-Q103 CarbonylContact O-C 3.56Å; E78-Q103 VanDerWaalsContact O-CA 3.23Å; E78-Q103 WeakPolarHBondContact O-CA 3.38Å; E78-C104 CarbonylContact C-O 3.54Å; E78-C104 PolarHBondContact O-N 3.26Å
79I97.3Very high98.4Very high70 Ų7036.7 Ų36.736%0.35919%0.188SC..SBendtrans-82.9-29179.5-168.1173.5000111.2L23 Q103 C104 D105L23-I79 HydrophobicContact CD1-CG2 3.98Å; L23-I79 HydrophobicContact CD2-CG2 4.11Å; I79-Q103 PolarHBondContact O-NE2 3.01Å; I79-C104 WeakPolarHBondContact CA-O 3.43Å; I79-C104 WeakPolarHBondContact CB-O 3.44Å; I79-C104 PolarHBondContact N-O 3.39Å; I79-D105 HydrophobicContact CD1-CB 3.72Å; I79-D105 HydrophobicContact CG1-CB 4.11Å
80D97.9Very high98.4Very high14 Ų1436.6 Ų36.68%0.07519%0.188CC..  trans-93.1116.1-174.2-169.515.2000113.9K20 L23 Q25 E78 D82 A83 L84K20-D80 WeakPolarHBondContact CD-OD2 3.13Å; K20-D80 WeakPolarHBondContact CE-OD2 3.44Å; K20-D80 IonicContact NZ-OD1 2.82Å; K20-D80 PolarHBondContact NZ-OD1 2.88Å; K20-D80 IonicContact NZ-OD2 2.8Å; K20-D80 PolarHBondContact NZ-OD2 3.34Å; L23-D80 HydrophobicContact CD1-CB 4.06Å; Q25-D80 PolarHBondContact NE2-OD2 3.38Å; E78-D80 HydrophobicContact CG-CB 4.3Å; E78-D80 PolarHBondContact OE1-N 2.9Å; E78-D80 VanDerWaalsContact OE1-N 3.08Å; D80-D82 VanDerWaalsContact C-N 3.32Å; D80-D82 PolarHBondContact O-N 3.49Å; D80-D82 PolarHBondContact OD1-N 2.94Å; D80-A83 HydrophobicContact CB-CB 4.11Å; D80-A83 PolarHBondContact O-N 3.23Å; D80-L84 PolarHBondContact O-N 2.65Å
81E97.8Very high98.4Very high48 Ų4832.2 Ų32.222%0.22417%0.166CC..Hα-helixtrans-63.8-36.3177.2-170.859.7-153.500112A83 L84 E85 R88 Q103E81-A83 PolarHBondContact O-N 3.34Å; E81-L84 CarbonylContact O-C 3.57Å; E81-L84 WeakPolarHBondContact O-CA 3.28Å; E81-L84 WeakPolarHBondContact O-CB 3.43Å; E81-L84 PolarHBondContact O-N 3.05Å; E81-E85 HydrophobicContact CG-CG 4.35Å; E81-E85 PolarHBondContact O-N 3.09Å; E81-R88 IonicContact OE1-CZ 3.91Å; E81-R88 IonicContact OE1-NH1 3.81Å; E81-R88 PolarHBondContact OE1-NH1 3.3Å; E81-R88 IonicContact OE1-NH2 3.06Å; E81-R88 PolarHBondContact OE1-NH2 2.85Å; E81-R88 VanDerWaalsContact OE1-NH2 3.13Å; E81-Q103 PolarHBondContact OE2-OE1 3.04Å
82D98.1Very high98.4Very high86 Ų8639.1 Ų39.146%0.4620%0.197SC..Hα-helixtrans-61.7-35.6-179.1-57.5-23000110.8K20 D80 I86K20-D82 WeakPolarHBondContact CE-OD2 3.29Å; K20-D82 IonicContact NZ-OD2 3.22Å; K20-D82 PolarHBondContact NZ-OD2 3.13Å; D80-D82 VanDerWaalsContact C-N 3.32Å; D80-D82 PolarHBondContact O-N 3.49Å; D80-D82 PolarHBondContact OD1-N 2.94Å; D82-I86 WeakPolarHBondContact O-CG1 3.19Å; D82-I86 PolarHBondContact O-N 3Å
83A98.3Very high98.4Very high0 Ų042.3 Ų42.30%020%0.199CC..Hα-helixtrans-70.9-38.8175.200000111.9F16 E78 D80 E81 I86 F87F16-A83 HydrophobicContact CD1-CB 4.24Å; F16-A83 HydrophobicContact CE1-CB 3.74Å; E78-A83 HydrophobicContact CG-CB 4.01Å; D80-A83 HydrophobicContact CB-CB 4.11Å; D80-A83 PolarHBondContact O-N 3.23Å; E81-A83 PolarHBondContact O-N 3.34Å; A83-I86 PolarHBondContact O-N 2.9Å; A83-F87 PolarHBondContact O-N 3.35Å
84L98.5Very high98.4Very high0 Ų041.4 Ų41.40%019%0.193CC..Hα-helixtrans-68-33.3176.5-71.2177000113E78 D80 E81 F87 R88 L101 Q103E78-L84 HydrophobicContact CB-CD1 4.27Å; E78-L84 HydrophobicContact CB-CD2 3.66Å; E78-L84 HydrophobicContact CB-CG 3.84Å; E78-L84 HydrophobicContact CG-CD2 4.3Å; E78-L84 HydrophobicContact CG-CG 4.09Å; D80-L84 PolarHBondContact O-N 2.65Å; E81-L84 CarbonylContact O-C 3.57Å; E81-L84 WeakPolarHBondContact O-CA 3.28Å; E81-L84 WeakPolarHBondContact O-CB 3.43Å; E81-L84 PolarHBondContact O-N 3.05Å; L84-F87 HydrophobicContact CD2-CD1 4.4Å; L84-F87 PolarHBondContact O-N 3.15Å; L84-R88 PolarHBondContact O-N 2.85Å; L84-L101 HydrophobicContact CB-CD2 4.47Å; L84-L101 HydrophobicContact CD2-CB 4.14Å; L84-L101 HydrophobicContact CD2-CD2 3.77Å; L84-Q103 HydrophobicContact CD1-CB 3.56Å; L84-Q103 HydrophobicContact CD1-CG 3.87Å
85E98.5Very high98.3Very high113 Ų11349.9 Ų49.953%0.52823%0.233SC..Hα-helixtrans-62.9-45.4173-74.4-175.7176.400111.4E81 F87 R88 R89E81-E85 HydrophobicContact CG-CG 4.35Å; E81-E85 PolarHBondContact O-N 3.09Å; E85-F87 VanDerWaalsContact C-N 3.33Å; E85-F87 PolarHBondContact O-N 2.82Å; E85-R88 PolarHBondContact O-N 3.11Å; E85-R89 PolarHBondContact O-N 3.16Å; E85-R89 VanDerWaalsContact O-N 3.09Å
86I98.6Very high98.3Very high11 Ų1150.7 Ų50.76%0.05624%0.236CC..Hα-helixtrans-63-42.2174.3-61.1166.2000110.2D14 E17 C59 D82 A83 R89 N90D14-I86 HydrophobicContact CB-CG2 3.93Å; E17-I86 HydrophobicContact CG-CD1 4.02Å; C59-I86 HydrophobicContact CB-CB 4.4Å; C59-I86 HydrophobicContact CB-CG2 3.88Å; D82-I86 WeakPolarHBondContact O-CG1 3.19Å; D82-I86 PolarHBondContact O-N 3Å; A83-I86 PolarHBondContact O-N 2.9Å; I86-R89 PolarHBondContact O-N 2.78Å; I86-N90 PolarHBondContact O-N 3.32Å; I86-N90 PolarHBondContact O-ND2 3.34Å
87F98.6Very high98.2Very high0 Ų056.4 Ų56.40%028%0.276CS..Hα-helixtrans-62.6-43.9176.9-174.9-170.6000111.9C57 C59 I64 A83 L84 E85 R89 N90 A91 V99 L101C57-F87 HydrophobicContact CB-CE1 4.27Å; C59-F87 WeakPolarHBondContact O-CA 3.23Å; I64-F87 HydrophobicContact CD1-CD2 4.35Å; I64-F87 HydrophobicContact CD1-CE2 4.41Å; I64-F87 HydrophobicContact CG1-CD2 4.41Å; I64-F87 HydrophobicContact CG1-CE2 3.98Å; A83-F87 PolarHBondContact O-N 3.35Å; L84-F87 HydrophobicContact CD2-CD1 4.4Å; L84-F87 PolarHBondContact O-N 3.15Å; E85-F87 VanDerWaalsContact C-N 3.33Å; E85-F87 PolarHBondContact O-N 2.82Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 2.89Å; F87-N90 WeakPolarHBondContact O-CB 3.45Å; F87-N90 PolarHBondContact O-N 3.11Å; F87-A91 HydrophobicContact CE2-CB 4.49Å; F87-A91 PolarHBondContact O-N 2.8Å; F87-V99 HydrophobicContact CE1-CG1 4.28Å; F87-V99 HydrophobicContact CE2-CG1 3.7Å; F87-V99 HydrophobicContact CZ-CG1 3.3Å; F87-L101 HydrophobicContact CB-CD2 3.82Å; F87-L101 HydrophobicContact CD1-CD2 3.36Å; F87-L101 HydrophobicContact CD1-CG 4.11Å; F87-L101 HydrophobicContact CD2-CD2 4.37Å; F87-L101 HydrophobicContact CE1-CD2 3.87Å; F87-L101 HydrophobicContact CE1-CG 4.11Å; F87-L101 HydrophobicContact CG-CD2 3.61Å
88R98.6Very high98.2Very high94 Ų9457.8 Ų57.836%0.35528%0.284SS..Hα-helixtrans-55.6-47.8173.4-89.6-178-144.1108.34.4111.8E81 L84 E85 N90 A91 E92 L101E81-R88 IonicContact OE1-CZ 3.91Å; E81-R88 IonicContact OE1-NH1 3.81Å; E81-R88 PolarHBondContact OE1-NH1 3.3Å; E81-R88 IonicContact OE1-NH2 3.06Å; E81-R88 PolarHBondContact OE1-NH2 2.85Å; E81-R88 VanDerWaalsContact OE1-NH2 3.13Å; L84-R88 PolarHBondContact O-N 2.85Å; E85-R88 PolarHBondContact O-N 3.11Å; R88-N90 VanDerWaalsContact C-N 3.34Å; R88-N90 PolarHBondContact O-N 2.95Å; R88-A91 PolarHBondContact O-N 2.99Å; R88-E92 WeakPolarHBondContact O-CG 3.39Å; R88-E92 PolarHBondContact O-N 3.32Å; R88-L101 HydrophobicContact CG-CD1 3.83Å; R88-L101 HydrophobicContact CG-CD2 3.97Å
89R98.6Very high98.2Very high85 Ų8558.1 Ų58.132%0.32129%0.287SS..Hα-helixtrans-57.8-47.3177-176.9174.674-1455.5111.3D14 E17 E85 I86 F87 A91 E92 E93D14-R89 IonicContact OD2-CZ 3.13Å; D14-R89 IonicContact OD2-NE 3.72Å; D14-R89 PolarHBondContact OD2-NE 2.71Å; D14-R89 IonicContact OD2-NH2 2.71Å; D14-R89 PolarHBondContact OD2-NH2 2.98Å; E17-R89 IonicContact OE1-CZ 3.42Å; E17-R89 IonicContact OE1-NH1 3.48Å; E17-R89 PolarHBondContact OE1-NH1 2.85Å; E17-R89 IonicContact OE1-NH2 3.87Å; E17-R89 PolarHBondContact OE1-NH2 3.13Å; E85-R89 PolarHBondContact O-N 3.16Å; E85-R89 VanDerWaalsContact O-N 3.09Å; I86-R89 PolarHBondContact O-N 2.78Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 2.89Å; R89-A91 PolarHBondContact O-N 3.42Å; R89-E92 PolarHBondContact O-N 3.1Å; R89-E93 HydrophobicContact CG-CG 4.41Å; R89-E93 WeakPolarHBondContact CG-OE1 3.36Å; R89-E93 WeakPolarHBondContact O-CB 3.48Å; R89-E93 WeakPolarHBondContact O-CG 3.2Å; R89-E93 PolarHBondContact O-N 3.07Å
90N98.7Very high98.3Very high0 Ų059.1 Ų59.10%029%0.293CS..Hα-helixtrans-59.7-44176.2-73.3-39.3000112.1V13 D14 C59 I64 I86 F87 R88 E92 E93 F94V13-N90 HydrophobicContact CG1-CB 4.49Å; V13-N90 WeakPolarHBondContact CG1-ND2 3.34Å; D14-N90 WeakPolarHBondContact CB-OD1 3.38Å; D14-N90 PolarHBondContact N-OD1 3.27Å; D14-N90 PolarHBondContact O-ND2 3.49Å; C59-N90 PolarHBondContact O-ND2 2.94Å; I64-N90 HydrophobicContact CD1-CB 3.46Å; I64-N90 VanDerWaalsContact CD1-CB 3.46Å; I86-N90 PolarHBondContact O-N 3.32Å; I86-N90 PolarHBondContact O-ND2 3.34Å; F87-N90 WeakPolarHBondContact O-CB 3.45Å; F87-N90 PolarHBondContact O-N 3.11Å; R88-N90 VanDerWaalsContact C-N 3.34Å; R88-N90 PolarHBondContact O-N 2.95Å; N90-E92 VanDerWaalsContact C-N 3.32Å; N90-E92 PolarHBondContact O-N 3.32Å; N90-E93 PolarHBondContact O-N 2.85Å; N90-F94 WeakPolarHBondContact O-CB 3.39Å; N90-F94 WeakPolarHBondContact O-CD2 3.26Å; N90-F94 PolarHBondContact O-N 3.24Å
91A98.5Very high98.3Very high11 Ų1160.1 Ų60.19%0.09130%0.298CS..Hα-helixtrans-62.6-39.6178.600000112F87 R88 R89 E95 L96F87-A91 HydrophobicContact CE2-CB 4.49Å; F87-A91 PolarHBondContact O-N 2.8Å; R88-A91 PolarHBondContact O-N 2.99Å; R89-A91 PolarHBondContact O-N 3.42Å; A91-E95 PolarHBondContact O-N 3.22Å; A91-L96 PolarHBondContact O-N 3.26Å
92E98.4Very high98.3Very high148 Ų14860.6 Ų60.669%0.69230%0.302SS*.Hα-helixtrans-65.2-46174.5-71.2175.6-175.100112.2R88 R89 N90 F94 E95R88-E92 WeakPolarHBondContact O-CG 3.39Å; R88-E92 PolarHBondContact O-N 3.32Å; R89-E92 PolarHBondContact O-N 3.1Å; N90-E92 VanDerWaalsContact C-N 3.32Å; N90-E92 PolarHBondContact O-N 3.32Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 3.39Å; E92-E95 PolarHBondContact O-N 3.01Å
93E98.3Very high98.3Very high115 Ų11561.7 Ų61.754%0.53730%0.304SS..Hα-helixtrans-65.2-33.4-179.8-74.4179.4-171.200113.2R89 N90 E95R89-E93 HydrophobicContact CG-CG 4.41Å; R89-E93 WeakPolarHBondContact CG-OE1 3.36Å; R89-E93 WeakPolarHBondContact O-CB 3.48Å; R89-E93 WeakPolarHBondContact O-CG 3.2Å; R89-E93 PolarHBondContact O-N 3.07Å; N90-E93 PolarHBondContact O-N 2.85Å; E93-E95 VanDerWaalsContact C-N 3.27Å
94F98.2Very high98.1Very high42 Ų4262.7 Ų62.718%0.18431%0.311CS..THydrogen-bonded Turntrans-84.71.7173.3-78.3-105.5000113.2C9 Q12 V13 I64 L68 N90 E92 L96C9-F94 HydrophobicContact CB-CE1 4.2Å; C9-F94 WeakPolarHBondContact O-CZ 3.4Å; Q12-F94 HydrophobicContact CB-CE2 4.43Å; Q12-F94 HydrophobicContact CB-CZ 3.91Å; V13-F94 HydrophobicContact CG2-CE2 4.03Å; V13-F94 HydrophobicContact CG2-CZ 3.84Å; I64-F94 HydrophobicContact CG2-CD1 4.11Å; I64-F94 HydrophobicContact CG2-CE1 4.18Å; I64-F94 HydrophobicContact CG2-CG 4.3Å; I64-F94 HydrophobicContact CG2-CZ 4.44Å; L68-F94 HydrophobicContact CD1-CD1 4.16Å; L68-F94 HydrophobicContact CD1-CE1 4.15Å; L68-F94 HydrophobicContact CD2-CD1 4.36Å; N90-F94 WeakPolarHBondContact O-CB 3.39Å; N90-F94 WeakPolarHBondContact O-CD2 3.26Å; N90-F94 PolarHBondContact O-N 3.24Å; E92-F94 VanDerWaalsContact C-N 3.32Å; E92-F94 PolarHBondContact O-N 3.39Å; F94-L96 HydrophobicContact CB-CD1 3.92Å; F94-L96 HydrophobicContact CB-CD2 4.44Å; F94-L96 HydrophobicContact CB-CG 3.73Å; F94-L96 PolarHBondContact O-N 3.05Å
95E98.3Very high97.9Very high178 Ų17865.3 Ų65.383%0.83233%0.325SS*.THydrogen-bonded Turntrans54.635.7-178.7-55.9-175.614800113.3A91 E92 E93A91-E95 PolarHBondContact O-N 3.22Å; E92-E95 PolarHBondContact O-N 3.01Å; E93-E95 VanDerWaalsContact C-N 3.27Å
96L98.1Very high97.6Very high32 Ų3260.6 Ų60.617%0.16830%0.303CS..  trans-83.3125.5-177-61.7175.5000111I64 A67 L68 A91 F94 V99I64-L96 HydrophobicContact CB-CD1 4.24Å; I64-L96 HydrophobicContact CG1-CD1 4.08Å; I64-L96 HydrophobicContact CG2-CD1 4.04Å; A67-L96 HydrophobicContact CB-CD1 3.88Å; A67-L96 HydrophobicContact CB-CD2 4.11Å; A67-L96 HydrophobicContact CB-CG 4.46Å; L68-L96 HydrophobicContact CD2-CD2 4.13Å; A91-L96 PolarHBondContact O-N 3.26Å; F94-L96 HydrophobicContact CB-CD1 3.92Å; F94-L96 HydrophobicContact CB-CD2 4.44Å; F94-L96 HydrophobicContact CB-CG 3.73Å; F94-L96 PolarHBondContact O-N 3.05Å; L96-V99 HydrophobicContact CB-CG2 4.19Å; L96-V99 HydrophobicContact CD1-CG2 4.22Å
97S97Very high97Very high120 Ų12061.9 Ų61.984%0.83931%0.313SS*.SBendtrans-106.8-6.5177.955.20000113.7
98N98Very high96.5Very high31 Ų3169.3 Ų69.317%0.16635%0.347CS..SBendtrans-106.333.5-177.260-27.2000112.1A67 A71 L73 C74A67-N98 WeakPolarHBondContact CB-OD1 3.27Å; A67-N98 PolarHBondContact O-ND2 2.9Å; A71-N98 PolarHBondContact O-ND2 3.35Å; L73-N98 WeakPolarHBondContact CA-O 3.36Å; C74-N98 PolarHBondContact N-O 2.92Å
99V98.5Very high96Very high22 Ų2266.5 Ų66.513%0.13334%0.339CS..EExtended strand (participates in β ladder)trans-129138.1176.31770000109.8A67 C74 F87 L96A67-V99 HydrophobicContact CB-CG2 3.57Å; C74-V99 CarbonylContact O-C 3.56Å; C74-V99 VanDerWaalsContact O-CA 3.29Å; C74-V99 WeakPolarHBondContact O-CA 3.29Å; F87-V99 HydrophobicContact CE1-CG1 4.28Å; F87-V99 HydrophobicContact CE2-CG1 3.7Å; F87-V99 HydrophobicContact CZ-CG1 3.3Å; L96-V99 HydrophobicContact CB-CG2 4.19Å; L96-V99 HydrophobicContact CD1-CG2 4.22Å
100D98.4Very high95.7Very high91 Ų9169.5 Ų69.549%0.48736%0.357SS..EExtended strand (participates in β ladder)trans-131.3158170.6-160.54.4000110.3L73 C74 V75 G76L73-D100 HydrophobicContact CD1-CB 4.22Å; C74-D100 PolarHBondContact O-N 3.42Å; V75-D100 CarbonylContact C-O 3.57Å; V75-D100 WeakPolarHBondContact CA-O 3.29Å; V75-D100 HydrophobicContact CG2-CB 4.31Å; G76-D100 PolarHBondContact N-O 3.26Å
101L98.3Very high95.3Very high35 Ų3570 Ų7018%0.18336%0.36CS..EExtended strand (participates in β ladder)trans-129.9130.7-172.1-57.396.5000110.7L84 F87 R88L84-L101 HydrophobicContact CB-CD2 4.47Å; L84-L101 HydrophobicContact CD2-CB 4.14Å; L84-L101 HydrophobicContact CD2-CD2 3.77Å; F87-L101 HydrophobicContact CB-CD2 3.82Å; F87-L101 HydrophobicContact CD1-CD2 3.36Å; F87-L101 HydrophobicContact CD1-CG 4.11Å; F87-L101 HydrophobicContact CD2-CD2 4.37Å; F87-L101 HydrophobicContact CE1-CD2 3.87Å; F87-L101 HydrophobicContact CE1-CG 4.11Å; F87-L101 HydrophobicContact CG-CD2 3.61Å; R88-L101 HydrophobicContact CG-CD1 3.83Å; R88-L101 HydrophobicContact CG-CD2 3.97Å
102L97.6Very high95.1Very high59 Ų5976.4 Ų76.431%0.30939%0.389SS..EExtended strand (participates in β ladder)trans-124.5115.7175.2-173.568.4000111.1G76 F77 E78 C104G76-L102 PolarHBondContact O-N 2.96Å; F77-L102 WeakPolarHBondContact CA-O 3.49Å; F77-L102 HydrophobicContact CD1-CB 4.34Å; F77-L102 HydrophobicContact CD1-CD2 3.74Å; F77-L102 HydrophobicContact CD1-CG 4.49Å; F77-L102 HydrophobicContact CE1-CD2 3.48Å; F77-L102 VanDerWaalsContact CE1-CD2 3.48Å; F77-L102 HydrophobicContact CZ-CD2 4.4Å; E78-L102 PolarHBondContact N-O 3.44Å; E78-L102 VanDerWaalsContact N-O 3.15Å; L102-C104 HydrophobicContact CD2-CB 4.48Å; L102-C104 HydrophobicContact CG-CB 4.44Å; L102-C104 PolarHBondContact O-N 3.02Å
103Q97.9Very high94.8Very high108 Ų10871.8 Ų71.851%0.50538%0.376SS..EExtended strand (participates in β ladder)trans-73.3116.9167.7-164.3-171.622.200110.2E78 I79 E81 L84E78-Q103 CarbonylContact O-C 3.56Å; E78-Q103 VanDerWaalsContact O-CA 3.23Å; E78-Q103 WeakPolarHBondContact O-CA 3.38Å; I79-Q103 PolarHBondContact O-NE2 3.01Å; E81-Q103 PolarHBondContact OE2-OE1 3.04Å; L84-Q103 HydrophobicContact CD1-CB 3.56Å; L84-Q103 HydrophobicContact CD1-CG 3.87Å
104C94.9Very high94.6Very high21 Ų2169.3 Ų69.314%0.14236%0.362CS..  trans-158.3154.417669.50000113.1E78 I79 L102 L109E78-C104 CarbonylContact C-O 3.54Å; E78-C104 PolarHBondContact O-N 3.26Å; I79-C104 WeakPolarHBondContact CA-O 3.43Å; I79-C104 WeakPolarHBondContact CB-O 3.44Å; I79-C104 PolarHBondContact N-O 3.39Å; L102-C104 HydrophobicContact CD2-CB 4.48Å; L102-C104 HydrophobicContact CG-CB 4.44Å; L102-C104 PolarHBondContact O-N 3.02Å; C104-L109 HydrophobicContact CB-CD1 4.48Å
105D94.6Very high94.5Very high56 Ų5668.8 Ų68.830%0.29937%0.369SS..  trans-88.2107.3165.6-176.2-10.4000109.7I79 C107 H108 L109I79-D105 HydrophobicContact CD1-CB 3.72Å; I79-D105 HydrophobicContact CG1-CB 4.11Å; D105-C107 PolarHBondContact O-N 3.29Å; D105-C107 VanDerWaalsContact O-N 3.14Å; D105-C107 VanDerWaalsContact OD1-CB 3.27Å; D105-C107 WeakPolarHBondContact OD1-CB 3.42Å; D105-C107 PolarHBondContact OD1-N 3.18Å; D105-H108 HydrophobicContact CB-CB 4.43Å; D105-H108 CarbonylContact O-C 3.52Å; D105-H108 PolarHBondContact O-N 3.09Å; D105-H108 IonicContact OD1-ND1 3.73Å; D105-H108 IonicContact OD2-CE1 2.94Å; D105-H108 PolarHBondContact OD2-CE1 2.83Å; D105-H108 IonicContact OD2-CG 2.71Å; D105-H108 IonicContact OD2-ND1 2.6Å; D105-H108 PolarHBondContact OD2-ND1 3.34Å; D105-L109 PolarHBondContact O-N 3.44Å
106L91Very high94.4Very high13 Ų1366 Ų667%0.06836%0.356CS..THydrogen-bonded Turntrans-60.5-21178.5-76.2167.3000114L55 F77 H108 L109 F139L55-L106 HydrophobicContact CB-CD1 3.79Å; L55-L106 HydrophobicContact CD1-CD2 4.48Å; L55-L106 HydrophobicContact CD2-CD1 4.43Å; L55-L106 HydrophobicContact CD2-CD2 3.98Å; F77-L106 HydrophobicContact CB-CD1 4.35Å; F77-L106 HydrophobicContact CB-CD2 4.22Å; F77-L106 HydrophobicContact CB-CG 4.47Å; F77-L106 HydrophobicContact CD1-CD2 4.49Å; L106-H108 VanDerWaalsContact C-N 3.29Å; L106-L109 HydrophobicContact CD2-CD2 3.66Å; L106-F139 HydrophobicContact CB-CD2 4.38Å; L106-F139 HydrophobicContact CB-CE1 4.49Å; L106-F139 HydrophobicContact CB-CE2 3.85Å; L106-F139 HydrophobicContact CB-CZ 3.92Å; L106-F139 HydrophobicContact CD1-CD1 3.83Å; L106-F139 HydrophobicContact CD1-CE1 3.25Å; L106-F139 HydrophobicContact CD1-CE2 4.13Å; L106-F139 HydrophobicContact CD1-CG 4.5Å; L106-F139 HydrophobicContact CD1-CZ 3.42Å; L106-F139 VanDerWaalsContact CD1-CZ 3.42Å; L106-F139 HydrophobicContact CG-CE1 4.48Å; L106-F139 HydrophobicContact CG-CZ 4.29Å
107C86.3Confident94.3Very high39 Ų3970.3 Ų70.326%0.26437%0.373SS..THydrogen-bonded Turntrans-74.5-20.5173.4-71.90000113.7D105 M135D105-C107 PolarHBondContact O-N 3.29Å; D105-C107 VanDerWaalsContact O-N 3.14Å; D105-C107 VanDerWaalsContact OD1-CB 3.27Å; D105-C107 WeakPolarHBondContact OD1-CB 3.42Å; D105-C107 PolarHBondContact OD1-N 3.18Å; C107-M135 VanDerWaalsContact SG-CE 3.59Å; C107-M135 PolarHBondContact SG-SD 3.2Å
108H87.9Confident94.4Very high155 Ų15565 Ų6572%0.71834%0.335SS*.THydrogen-bonded Turntrans-115.52.9179.8-6398.9000112.3D105 L106 E110D105-H108 HydrophobicContact CB-CB 4.43Å; D105-H108 CarbonylContact O-C 3.52Å; D105-H108 PolarHBondContact O-N 3.09Å; D105-H108 IonicContact OD1-ND1 3.73Å; D105-H108 IonicContact OD2-CE1 2.94Å; D105-H108 PolarHBondContact OD2-CE1 2.83Å; D105-H108 IonicContact OD2-CG 2.71Å; D105-H108 IonicContact OD2-ND1 2.6Å; D105-H108 PolarHBondContact OD2-ND1 3.34Å; L106-H108 VanDerWaalsContact C-N 3.29Å; H108-E110 PolarHBondContact O-N 2.86Å
109L88.6Confident94.4Very high35 Ų3565.4 Ų65.418%0.18334%0.337CS..  trans-68.2127.5175-172.572.3000109.9F77 C104 D105 L106 A111 Y114 M146F77-L109 HydrophobicContact CD1-CD2 4.41Å; F77-L109 HydrophobicContact CE1-CD2 4.44Å; C104-L109 HydrophobicContact CB-CD1 4.48Å; D105-L109 PolarHBondContact O-N 3.44Å; L106-L109 HydrophobicContact CD2-CD2 3.66Å; L109-A111 VanDerWaalsContact C-N 3.28Å; L109-A111 PolarHBondContact O-N 3.23Å; L109-Y114 HydrophobicContact CD1-CD2 4.25Å; L109-Y114 HydrophobicContact CD1-CE2 3.66Å; L109-Y114 HydrophobicContact CD2-CD2 4.23Å; L109-Y114 HydrophobicContact CD2-CE2 4.36Å; L109-Y114 HydrophobicContact CG-CD2 4.34Å; L109-Y114 HydrophobicContact CG-CE2 4.24Å; L109-M146 HydrophobicContact CD2-SD 4.17Å
110E92.3Very high94.5Very high149 Ų14964.3 Ų64.370%0.69633%0.331SS*.  trans-72.684.5166.6-64.3-176.4175.400108.9H108 E112 A113H108-E110 PolarHBondContact O-N 2.86Å; E110-E112 PolarHBondContact O-N 3.31Å; E110-E112 VanDerWaalsContact O-N 3.13Å; E110-A113 HydrophobicContact CB-CB 4.39Å; E110-A113 VanDerWaalsContact O-CB 3.26Å; E110-A113 WeakPolarHBondContact O-CB 3.5Å; E110-A113 PolarHBondContact O-N 2.87Å
111A90.9Very high94.5Very high9 Ų960 Ų607%0.07431%0.307CS..G310 helixtrans-58.4-27.9-175.200000112.7L109 A113 Y114 G115 A142 T145 M146L109-A111 VanDerWaalsContact C-N 3.28Å; L109-A111 PolarHBondContact O-N 3.23Å; A111-A113 VanDerWaalsContact C-N 3.26Å; A111-A113 PolarHBondContact O-N 3.39Å; A111-Y114 CarbonylContact O-C 3.52Å; A111-Y114 VanDerWaalsContact O-C 3.3Å; A111-Y114 WeakPolarHBondContact O-CA 3.19Å; A111-Y114 PolarHBondContact O-N 3.49Å; A111-G115 PolarHBondContact O-N 3.12Å; A111-G115 VanDerWaalsContact O-N 3.09Å; A111-A142 HydrophobicContact CB-CB 4.17Å; A111-T145 HydrophobicContact CB-CG2 4.01Å; A111-M146 HydrophobicContact CB-CG 4.49Å
112E93.5Very high94.5Very high146 Ų14658.3 Ų58.368%0.68230%0.299SS*.G310 helixtrans-62.3-31.5175.3-65.974.9-167.900112.3E110 Y114 G115E110-E112 PolarHBondContact O-N 3.31Å; E110-E112 VanDerWaalsContact O-N 3.13Å; E112-Y114 PolarHBondContact O-N 3.1Å; E112-G115 PolarHBondContact O-N 2.79Å
113A93.1Very high94.5Very high51 Ų5155.5 Ų55.542%0.42128%0.284SS..G310 helixtrans-63.5-20.4172.900000111.8E110 A111 K117E110-A113 HydrophobicContact CB-CB 4.39Å; E110-A113 VanDerWaalsContact O-CB 3.26Å; E110-A113 WeakPolarHBondContact O-CB 3.5Å; E110-A113 PolarHBondContact O-N 2.87Å; A111-A113 VanDerWaalsContact C-N 3.26Å; A111-A113 PolarHBondContact O-N 3.39Å; A113-K117 WeakPolarHBondContact O-CE 3.25Å; A113-K117 PolarHBondContact O-NZ 3.4Å
114Y93.9Very high94.5Very high63 Ų6351.1 Ų51.125%0.24726%0.264CS..G310 helixtrans-109.911.4175.2-61.6-88.5000113F77 L109 A111 E112 Q116 K117 F118 M146F77-Y114 HydrophobicContact CE1-CE1 4.31Å; F77-Y114 HydrophobicContact CZ-CD1 4.48Å; F77-Y114 HydrophobicContact CZ-CE1 4.39Å; L109-Y114 HydrophobicContact CD1-CD2 4.25Å; L109-Y114 HydrophobicContact CD1-CE2 3.66Å; L109-Y114 HydrophobicContact CD2-CD2 4.23Å; L109-Y114 HydrophobicContact CD2-CE2 4.36Å; L109-Y114 HydrophobicContact CG-CD2 4.34Å; L109-Y114 HydrophobicContact CG-CE2 4.24Å; A111-Y114 CarbonylContact O-C 3.52Å; A111-Y114 VanDerWaalsContact O-C 3.3Å; A111-Y114 WeakPolarHBondContact O-CA 3.19Å; A111-Y114 PolarHBondContact O-N 3.49Å; E112-Y114 PolarHBondContact O-N 3.1Å; Y114-Q116 PolarHBondContact O-N 2.82Å; Y114-Q116 VanDerWaalsContact O-N 3.17Å; Y114-K117 HydrophobicContact CD1-CD 4.44Å; Y114-K117 WeakPolarHBondContact O-CB 3.49Å; Y114-K117 PolarHBondContact O-N 3.34Å; Y114-F118 HydrophobicContact CD1-CE2 4.1Å; Y114-M146 HydrophobicContact CG-CE 4.3Å; Y114-M146 WeakPolarHBondContact O-CA 3.46Å
115G95Very high94.5Very high32 Ų3250.1 Ų50.133%0.3326%0.257SS..THydrogen-bonded Turntrans-54119.6-173.100000112.7A111 E112 K117 T145A111-G115 PolarHBondContact O-N 3.12Å; A111-G115 VanDerWaalsContact O-N 3.09Å; E112-G115 PolarHBondContact O-N 2.79Å; G115-K117 PolarHBondContact O-N 2.95Å; G115-K117 VanDerWaalsContact O-N 3.11Å; G115-T145 WeakPolarHBondContact CA-O 3.27Å
116Q95.9Very high94.3Very high118 Ų11848.3 Ų48.355%0.55125%0.248SC*.THydrogen-bonded Turntrans54.524.4179.4-49.8-176.682.700114.8Y114 T145 M146 K148Y114-Q116 PolarHBondContact O-N 2.82Å; Y114-Q116 VanDerWaalsContact O-N 3.17Å; Q116-T145 PolarHBondContact N-O 3.49Å; Q116-M146 CarbonylContact C-O 3.57Å; Q116-M146 VanDerWaalsContact CA-O 3.25Å; Q116-M146 WeakPolarHBondContact CA-O 3.44Å; Q116-M146 PolarHBondContact N-O 3.4Å; Q116-K148 HydrophobicContact CB-CB 4.47Å
117K97.4Very high94Very high123 Ų12348.2 Ų48.254%0.53525%0.247SC..  trans-79.2-32.3178.8-71.7-167.1-178.3167.10112.9L51 A113 Y114 G115 M146L51-K117 WeakPolarHBondContact CD2-O 3.45Å; A113-K117 WeakPolarHBondContact O-CE 3.25Å; A113-K117 PolarHBondContact O-NZ 3.4Å; Y114-K117 HydrophobicContact CD1-CD 4.44Å; Y114-K117 WeakPolarHBondContact O-CB 3.49Å; Y114-K117 PolarHBondContact O-N 3.34Å; G115-K117 PolarHBondContact O-N 2.95Å; G115-K117 VanDerWaalsContact O-N 3.11Å; K117-M146 PolarHBondContact N-O 2.83Å; K117-M146 VanDerWaalsContact N-O 3.17Å
118F98.5Very high93.4Very high10 Ų1047.1 Ų47.14%0.04424%0.243CC..EExtended strand (participates in β ladder)trans-95.3134.6-179-67.6-86.9000109.7L51 V52 A53 V75 F77 Y114 T120 V121 M146 S147 K148L51-F118 HydrophobicContact CD1-CD1 4Å; L51-F118 HydrophobicContact CD1-CE1 3.87Å; L51-F118 HydrophobicContact CD2-CD1 4.3Å; L51-F118 HydrophobicContact CD2-CE1 4.48Å; L51-F118 HydrophobicContact CG-CD1 3.61Å; L51-F118 HydrophobicContact CG-CE1 3.95Å; L51-F118 HydrophobicContact CG-CG 4.44Å; V52-F118 VanDerWaalsContact C-CD1 3.46Å; A53-F118 HydrophobicContact CB-CB 4.26Å; A53-F118 HydrophobicContact CB-CD1 3.52Å; A53-F118 HydrophobicContact CB-CD2 3.92Å; A53-F118 HydrophobicContact CB-CE1 3.74Å; A53-F118 HydrophobicContact CB-CE2 4.1Å; A53-F118 HydrophobicContact CB-CG 3.62Å; A53-F118 HydrophobicContact CB-CZ 4.03Å; V75-F118 HydrophobicContact CB-CE1 3.84Å; V75-F118 HydrophobicContact CB-CZ 4.05Å; V75-F118 HydrophobicContact CG2-CE1 3.77Å; V75-F118 HydrophobicContact CG2-CZ 4.15Å; F77-F118 HydrophobicContact CE2-CE1 4.45Å; F77-F118 HydrophobicContact CE2-CE2 4.14Å; F77-F118 AromaticContact CE2-CZ 3.76Å; F77-F118 HydrophobicContact CE2-CZ 3.76Å; F77-F118 AromaticContact CZ-CE2 3.86Å; F77-F118 HydrophobicContact CZ-CE2 3.86Å; F77-F118 AromaticContact CZ-CZ 3.7Å; F77-F118 HydrophobicContact CZ-CZ 3.7Å; Y114-F118 HydrophobicContact CD1-CE2 4.1Å; F118-T120 VanDerWaalsContact C-N 3.31Å; F118-V121 HydrophobicContact CB-CG2 4.22Å; F118-M146 HydrophobicContact CD2-CB 4.36Å; F118-M146 HydrophobicContact CD2-CE 3.85Å; F118-M146 HydrophobicContact CE2-CE 3.62Å; F118-M146 PolarHBondContact N-O 3.17Å; F118-S147 CarbonylContact O-C 3.55Å; F118-S147 WeakPolarHBondContact O-CA 3.12Å; F118-K148 WeakPolarHBondContact O-CB 3.38Å; F118-K148 PolarHBondContact O-N 3.17Å
119D98.6Very high92.6Very high38 Ų3842.7 Ų42.720%0.20323%0.227CC..EExtended strand (participates in β ladder)trans-63.7-45.3174.2-64.9-59.3000109.7K50 L51 K148 T149 A150K50-D119 HydrophobicContact CB-CB 4.02Å; K50-D119 HydrophobicContact CD-CB 4.39Å; K50-D119 HydrophobicContact CG-CB 4.44Å; L51-D119 PolarHBondContact N-OD2 2.82Å; L51-D119 PolarHBondContact O-N 2.84Å; D119-K148 IonicContact OD1-NZ 3.75Å; D119-T149 VanDerWaalsContact O-CB 3.23Å; D119-T149 WeakPolarHBondContact O-CB 3.33Å; D119-T149 PolarHBondContact O-N 3.22Å; D119-A150 PolarHBondContact O-N 2.92Å
120T98.8Very high91.4Very high0 Ų049.8 Ų49.80%026%0.256CS..EExtended strand (participates in β ladder)trans-131.8139.7-176.9-540000110.8D46 L51 V52 A53 F118 I122 A150 Y152D46-T120 HydrophobicContact CB-CG2 4.27Å; D46-T120 VanDerWaalsContact O-CB 3.27Å; D46-T120 WeakPolarHBondContact O-CB 3.01Å; D46-T120 WeakPolarHBondContact O-CG2 3.3Å; D46-T120 PolarHBondContact O-OG1 3.2Å; L51-T120 PolarHBondContact O-N 3.4Å; V52-T120 CarbonylContact C-O 3.6Å; V52-T120 VanDerWaalsContact CA-O 3.3Å; V52-T120 WeakPolarHBondContact CA-O 3.46Å; A53-T120 PolarHBondContact N-O 2.97Å; F118-T120 VanDerWaalsContact C-N 3.31Å; T120-I122 HydrophobicContact CG2-CG2 4.12Å; T120-A150 WeakPolarHBondContact CA-O 3.28Å; T120-Y152 HydrophobicContact CG2-CD2 3.63Å; T120-Y152 HydrophobicContact CG2-CE2 3.77Å
121V98.9Very high90.2Very high0 Ų050 Ų500%026%0.257CS..EExtended strand (participates in β ladder)trans-116.5129.9168.9-176.50000108.8A53 L55 F118 A143 M146 A150 V151 Y152A53-V121 HydrophobicContact CB-CG1 4.29Å; A53-V121 HydrophobicContact CB-CG2 4.2Å; A53-V121 CarbonylContact O-C 3.52Å; A53-V121 WeakPolarHBondContact O-CA 3.48Å; L55-V121 HydrophobicContact CD1-CG1 3.86Å; L55-V121 HydrophobicContact CD2-CG1 4.46Å; L55-V121 HydrophobicContact CG-CG1 3.69Å; F118-V121 HydrophobicContact CB-CG2 4.22Å; V121-A143 HydrophobicContact CB-CB 4.17Å; V121-A143 HydrophobicContact CG1-CB 3.64Å; V121-M146 HydrophobicContact CG2-CB 4.17Å; V121-A150 PolarHBondContact N-O 3.45Å; V121-V151 HydrophobicContact CB-CG2 4.29Å; V121-V151 CarbonylContact O-C 3.59Å; V121-V151 VanDerWaalsContact O-CA 3.31Å; V121-V151 WeakPolarHBondContact O-CA 3.37Å; V121-Y152 PolarHBondContact O-N 3.25Å
122I98.9Very high89.4Confident0 Ų051 Ų510%026%0.261CS..EExtended strand (participates in β ladder)trans-116.6148.3175.266-178.9000109.2M36 L37 I40 V52 A53 D54 L55 L62 A66 T120 Y152M36-I122 HydrophobicContact CE-CB 4.24Å; L37-I122 HydrophobicContact CD2-CD1 3.92Å; I40-I122 HydrophobicContact CD1-CG2 3.84Å; V52-I122 HydrophobicContact CG1-CD1 3.96Å; V52-I122 HydrophobicContact CG1-CG1 4.03Å; V52-I122 HydrophobicContact CG1-CG2 4.26Å; A53-I122 PolarHBondContact O-N 2.96Å; D54-I122 WeakPolarHBondContact CA-O 3.35Å; D54-I122 HydrophobicContact CB-CD1 4.45Å; D54-I122 HydrophobicContact CB-CG1 4.03Å; L55-I122 PolarHBondContact N-O 3.14Å; L55-I122 VanDerWaalsContact N-O 3.11Å; L62-I122 HydrophobicContact CB-CD1 3.88Å; L62-I122 HydrophobicContact CB-CG1 4.49Å; A66-I122 HydrophobicContact CB-CD1 4.19Å; T120-I122 HydrophobicContact CG2-CG2 4.12Å; I122-Y152 CarbonylContact C-O 3.6Å; I122-Y152 WeakPolarHBondContact CA-O 3.45Å; I122-Y152 HydrophobicContact CG2-CD2 4.48Å
123M98.3Very high88.8Confident0 Ų051.6 Ų51.60%026%0.264CS..EExtended strand (participates in β ladder)trans-163.4153.5175.251.8-179.5-174.700113.6L55 P125 F139 L140 A143 V151 Y152 S153 L154L55-M123 HydrophobicContact CB-CB 4.13Å; L55-M123 HydrophobicContact CB-SD 4.32Å; L55-M123 HydrophobicContact CD1-SD 4.42Å; L55-M123 WeakPolarHBondContact O-CB 3.39Å; M123-P125 HydrophobicContact SD-CB 4.4Å; M123-P125 HydrophobicContact SD-CG 4.36Å; M123-F139 HydrophobicContact CE-CB 4.48Å; M123-F139 HydrophobicContact SD-CB 3.89Å; M123-F139 HydrophobicContact SD-CD1 4.41Å; M123-L140 VanDerWaalsContact CE-CA 3.47Å; M123-L140 HydrophobicContact CE-CB 3.91Å; M123-L140 HydrophobicContact CE-CD1 3.72Å; M123-L140 HydrophobicContact CE-CG 4.44Å; M123-A143 HydrophobicContact CE-CB 3.9Å; M123-A143 HydrophobicContact SD-CB 4.17Å; M123-V151 HydrophobicContact CE-CG1 4.07Å; M123-Y152 PolarHBondContact N-O 3.45Å; M123-S153 WeakPolarHBondContact CE-OG 3.36Å; M123-S153 WeakPolarHBondContact O-CA 3.48Å; M123-L154 PolarHBondContact O-N 2.87Å
124N96.7Very high88.4Confident16 Ų1650.7 Ų50.79%0.08626%0.259CS..  trans-121.880160.8-179.725.4000107.8T28 L62 L154 Y182T28-N124 WeakPolarHBondContact OG1-CB 3.48Å; T28-N124 PolarHBondContact OG1-ND2 3.4Å; L62-N124 HydrophobicContact CD1-CB 4.26Å; N124-L154 HydrophobicContact CB-CD1 4.17Å; N124-Y182 PolarHBondContact ND2-OH 2.85Å; N124-Y182 VanDerWaalsContact ND2-OH 3.09Å
125P94.6Very high88.2Confident0 Ų049.4 Ų49.40%026%0.256CS..  trans-72160-168.230.9-36.2000112.1Y26 M123 F127 D136 F139 L154Y26-P125 PolarHBondContact OH-O 2.88Å; M123-P125 HydrophobicContact SD-CB 4.4Å; M123-P125 HydrophobicContact SD-CG 4.36Å; P125-F127 PolarHBondContact O-N 2.72Å; P125-D136 HydrophobicContact CG-CB 4.29Å; P125-F139 HydrophobicContact CB-CB 3.96Å; P125-F139 HydrophobicContact CB-CD1 3.81Å; P125-F139 HydrophobicContact CB-CG 4.03Å; P125-L154 WeakPolarHBondContact CD-O 3.15Å
126P90.9Very high88.1Confident17 Ų1748.6 Ų48.611%0.1124%0.244CC..  trans-57.3126.316925.3-35.1000110.3E24 G128 M135 D136 F139E24-P126 HydrophobicContact CB-CB 3.98Å; E24-P126 HydrophobicContact CG-CB 4.28Å; P126-G128 PolarHBondContact O-N 3.25Å; P126-M135 HydrophobicContact CG-CB 3.91Å; P126-M135 HydrophobicContact CG-CE 4.27Å; P126-D136 WeakPolarHBondContact O-CB 3.48Å; P126-D136 PolarHBondContact O-N 3.29Å; P126-F139 HydrophobicContact CG-CE2 4.38Å; P126-F139 HydrophobicContact CG-CZ 4.32Å
127F84.1Confident88Confident11 Ų1144.1 Ų44.15%0.04822%0.224CC..  trans-77.314-172.1-62.4-55000114.6E24 Y26 P125 K156 Y182 V200E24-F127 PolarHBondContact OE2-N 3.02Å; Y26-F127 AromaticContact CE2-CE2 3.96Å; Y26-F127 HydrophobicContact CE2-CE2 3.96Å; Y26-F127 AromaticContact CZ-CD2 3.83Å; Y26-F127 AromaticContact CZ-CE2 3.66Å; Y26-F127 WeakPolarHBondContact OH-CD2 3.23Å; Y26-F127 WeakPolarHBondContact OH-CE2 3.24Å; P125-F127 PolarHBondContact O-N 2.72Å; F127-K156 HydrophobicContact CB-CD 4.02Å; F127-K156 HydrophobicContact CB-CG 4.19Å; F127-K156 VanDerWaalsContact CB-NZ 3.29Å; F127-K156 HydrophobicContact CD1-CG 4.15Å; F127-K156 HydrophobicContact CD2-CG 4.47Å; F127-K156 HydrophobicContact CG-CD 4.4Å; F127-K156 HydrophobicContact CG-CG 4.06Å; F127-K156 PolarHBondContact O-NZ 3.31Å; F127-Y182 HydrophobicContact CZ-CE2 4.45Å; F127-V200 HydrophobicContact CE1-CG1 4.14Å; F127-V200 HydrophobicContact CE2-CG1 4.23Å; F127-V200 HydrophobicContact CZ-CG1 3.62Å
128G74.1Confident87.8Confident16 Ų1644 Ų4417%0.16522%0.223CC..  trans60.663.517600000114.4E24 P126 N132E24-G128 PolarHBondContact OE1-N 3.23Å; P126-G128 PolarHBondContact O-N 3.25Å; G128-N132 WeakPolarHBondContact CA-O 3.43Å
129T72.5Confident87.7Confident63 Ų6344.2 Ų44.239%0.38722%0.224SC..  trans-65.4-177.4169.361.60000111.7E24 H131 N132 Q133E24-T129 PolarHBondContact OE1-N 2.99Å; E24-T129 PolarHBondContact OE1-OG1 2.88Å; T129-H131 PolarHBondContact O-N 3.29Å; T129-N132 CarbonylContact O-C 3.43Å; T129-N132 PolarHBondContact O-N 3.41Å; T129-Q133 PolarHBondContact O-N 3.4Å
130K62.8Low87.6Confident184 Ų18442.4 Ų42.480%0.821%0.214SC*.THydrogen-bonded Turntrans-47.4-29.9-171.6-83.5-173.7176.3-178.10115.5
131H66.6Low87.5Confident153 Ų15344.9 Ų44.971%0.70823%0.231SC*.THydrogen-bonded Turntrans-97.3-9.5-177.9-61.5-68.7000114.2T129T129-H131 PolarHBondContact O-N 3.29Å
132N73.7Confident87.4Confident30 Ų3045.3 Ų45.316%0.1624%0.235CC..SBendtrans-129.726.1-169.2-74.9-22.1000112.5L22 E24 G128 T129 G134 M135L22-N132 PolarHBondContact O-ND2 2.99Å; E24-N132 VanDerWaalsContact OE1-CB 3.3Å; E24-N132 WeakPolarHBondContact OE1-CB 2.9Å; E24-N132 PolarHBondContact OE1-ND2 3.14Å; G128-N132 WeakPolarHBondContact CA-O 3.43Å; T129-N132 CarbonylContact O-C 3.43Å; T129-N132 PolarHBondContact O-N 3.41Å; N132-G134 PolarHBondContact O-N 3.47Å; N132-G134 VanDerWaalsContact O-N 3.15Å; N132-M135 HydrophobicContact CB-CB 4.4Å; N132-M135 HydrophobicContact CB-CG 3.69Å; N132-M135 WeakPolarHBondContact O-CB 3.24Å; N132-M135 WeakPolarHBondContact O-CG 3.45Å; N132-M135 PolarHBondContact O-N 2.81Å
133Q80.6Confident87.3Confident159 Ų15945.3 Ų45.374%0.74324%0.235SC*.THydrogen-bonded Turntrans-53.8124.7-174.7-69.7-173.3-19.200111.7T129T129-Q133 PolarHBondContact O-N 3.4Å
134G85.7Confident87.3Confident32 Ų3246.6 Ų46.633%0.3324%0.242SC..THydrogen-bonded Turntrans82.57178.300000115.7N132 D136 M137 K138N132-G134 PolarHBondContact O-N 3.47Å; N132-G134 VanDerWaalsContact O-N 3.15Å; G134-D136 VanDerWaalsContact C-N 3.35Å; G134-M137 PolarHBondContact O-N 3.31Å; G134-K138 PolarHBondContact O-N 3.25Å; G134-K138 VanDerWaalsContact O-N 3.1Å
135M90.1Very high87.3Confident36 Ų3648 Ų4818%0.17725%0.251CS..Hα-helixtrans-59.6-43.6174.9-76.2-69.1-71.500112.4C107 P126 N132 M137 K138 F139C107-M135 VanDerWaalsContact SG-CE 3.59Å; C107-M135 PolarHBondContact SG-SD 3.2Å; P126-M135 HydrophobicContact CG-CB 3.91Å; P126-M135 HydrophobicContact CG-CE 4.27Å; N132-M135 HydrophobicContact CB-CB 4.4Å; N132-M135 HydrophobicContact CB-CG 3.69Å; N132-M135 WeakPolarHBondContact O-CB 3.24Å; N132-M135 WeakPolarHBondContact O-CG 3.45Å; N132-M135 PolarHBondContact O-N 2.81Å; M135-M137 VanDerWaalsContact C-N 3.27Å; M135-M137 PolarHBondContact O-N 2.85Å; M135-K138 WeakPolarHBondContact O-CB 3.32Å; M135-K138 PolarHBondContact O-N 3.47Å; M135-K138 VanDerWaalsContact O-N 3.13Å; M135-F139 HydrophobicContact CE-CE2 3.82Å; M135-F139 VanDerWaalsContact O-CD2 3.29Å; M135-F139 WeakPolarHBondContact O-CD2 3.44Å; M135-F139 PolarHBondContact O-N 3.37Å
136D91.9Very high87.5Confident14 Ų1448 Ų488%0.07525%0.251CS..Hα-helixtrans-56-40.6175.264.1-36.9000112.6P125 P126 G134 L140 H155P125-D136 HydrophobicContact CG-CB 4.29Å; P126-D136 WeakPolarHBondContact O-CB 3.48Å; P126-D136 PolarHBondContact O-N 3.29Å; G134-D136 VanDerWaalsContact C-N 3.35Å; D136-L140 WeakPolarHBondContact O-CB 3.4Å; D136-L140 PolarHBondContact O-N 3.38Å; D136-H155 IonicContact OD2-ND1 3.92Å; D136-H155 PolarHBondContact OD2-ND1 3.08Å
137M93.8Very high87.8Confident25 Ų2547.4 Ų47.412%0.12325%0.247CC..Hα-helixtrans-72.7-32.7178-62.8-55-50.800113.1G134 M135 L140 S141 I163 K166 W170G134-M137 PolarHBondContact O-N 3.31Å; M135-M137 VanDerWaalsContact C-N 3.27Å; M135-M137 PolarHBondContact O-N 2.85Å; M137-L140 HydrophobicContact CE-CD2 4.03Å; M137-L140 PolarHBondContact O-N 2.66Å; M137-L140 HydrophobicContact SD-CD2 4.47Å; M137-S141 PolarHBondContact O-N 2.99Å; M137-I163 HydrophobicContact SD-CG1 3.89Å; M137-K166 HydrophobicContact CE-CB 3.78Å; M137-K166 HydrophobicContact CE-CG 3.82Å; M137-W170 HydrophobicContact CE-CH2 3.58Å; M137-W170 HydrophobicContact CE-CZ2 4.49Å; M137-W170 HydrophobicContact CE-CZ3 3.97Å
138K93.9Very high88.4Confident119 Ų11952.3 Ų52.352%0.51727%0.269SS..Hα-helixtrans-65.7-46.2172.7-71.8-178.1-179.9-178.30111G134 M135 L140 S141 A142G134-K138 PolarHBondContact O-N 3.25Å; G134-K138 VanDerWaalsContact O-N 3.1Å; M135-K138 WeakPolarHBondContact O-CB 3.32Å; M135-K138 PolarHBondContact O-N 3.47Å; M135-K138 VanDerWaalsContact O-N 3.13Å; K138-L140 VanDerWaalsContact C-N 3.31Å; K138-L140 PolarHBondContact O-N 3.09Å; K138-S141 PolarHBondContact O-N 2.85Å; K138-A142 PolarHBondContact O-N 2.69Å
139F96.5Very high89.5Confident15 Ų1554.4 Ų54.47%0.06628%0.278CS..Hα-helixtrans-58.2-45.7174.8-86.8-126.2000110.8L55 L106 M123 P125 P126 M135 S141 A142 A143L55-F139 HydrophobicContact CB-CD1 4.09Å; L55-F139 HydrophobicContact CB-CE1 4.44Å; L106-F139 HydrophobicContact CB-CD2 4.38Å; L106-F139 HydrophobicContact CB-CE1 4.49Å; L106-F139 HydrophobicContact CB-CE2 3.85Å; L106-F139 HydrophobicContact CB-CZ 3.92Å; L106-F139 HydrophobicContact CD1-CD1 3.83Å; L106-F139 HydrophobicContact CD1-CE1 3.25Å; L106-F139 HydrophobicContact CD1-CE2 4.13Å; L106-F139 HydrophobicContact CD1-CG 4.5Å; L106-F139 HydrophobicContact CD1-CZ 3.42Å; L106-F139 VanDerWaalsContact CD1-CZ 3.42Å; L106-F139 HydrophobicContact CG-CE1 4.48Å; L106-F139 HydrophobicContact CG-CZ 4.29Å; M123-F139 HydrophobicContact CE-CB 4.48Å; M123-F139 HydrophobicContact SD-CB 3.89Å; M123-F139 HydrophobicContact SD-CD1 4.41Å; P125-F139 HydrophobicContact CB-CB 3.96Å; P125-F139 HydrophobicContact CB-CD1 3.81Å; P125-F139 HydrophobicContact CB-CG 4.03Å; P126-F139 HydrophobicContact CG-CE2 4.38Å; P126-F139 HydrophobicContact CG-CZ 4.32Å; M135-F139 HydrophobicContact CE-CE2 3.82Å; M135-F139 VanDerWaalsContact O-CD2 3.29Å; M135-F139 WeakPolarHBondContact O-CD2 3.44Å; M135-F139 PolarHBondContact O-N 3.37Å; F139-S141 PolarHBondContact O-N 2.99Å; F139-A142 PolarHBondContact O-N 3.05Å; F139-A143 WeakPolarHBondContact O-CB 3.46Å; F139-A143 PolarHBondContact O-N 3.37Å
140L96.6Very high90.8Very high0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-61.8-41.8177.8-175.359.9000112.9M123 D136 M137 K138 A143 L144 V151 I163 W170 F205M123-L140 VanDerWaalsContact CE-CA 3.47Å; M123-L140 HydrophobicContact CE-CB 3.91Å; M123-L140 HydrophobicContact CE-CD1 3.72Å; M123-L140 HydrophobicContact CE-CG 4.44Å; D136-L140 WeakPolarHBondContact O-CB 3.4Å; D136-L140 PolarHBondContact O-N 3.38Å; M137-L140 HydrophobicContact CE-CD2 4.03Å; M137-L140 PolarHBondContact O-N 2.66Å; M137-L140 HydrophobicContact SD-CD2 4.47Å; K138-L140 VanDerWaalsContact C-N 3.31Å; K138-L140 PolarHBondContact O-N 3.09Å; L140-A143 PolarHBondContact O-N 3.04Å; L140-L144 HydrophobicContact CD1-CD1 4.43Å; L140-L144 HydrophobicContact CD1-CG 4.35Å; L140-L144 HydrophobicContact CG-CD1 4.24Å; L140-L144 WeakPolarHBondContact O-CB 3.38Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.34Å; L140-L144 PolarHBondContact O-N 3.25Å; L140-V151 HydrophobicContact CD1-CG1 4.13Å; L140-I163 HydrophobicContact CD2-CG2 3.99Å; L140-W170 HydrophobicContact CD2-CZ3 3.9Å; L140-W170 HydrophobicContact CG-CZ3 3.97Å; L140-F205 HydrophobicContact CD1-CD2 3.77Å; L140-F205 HydrophobicContact CD1-CE1 4.31Å; L140-F205 HydrophobicContact CD1-CE2 3.55Å; L140-F205 HydrophobicContact CD1-CG 4.27Å; L140-F205 HydrophobicContact CD1-CZ 3.84Å; L140-F205 HydrophobicContact CD2-CE1 3.99Å; L140-F205 HydrophobicContact CD2-CE2 4.26Å; L140-F205 HydrophobicContact CD2-CZ 3.69Å; L140-F205 HydrophobicContact CG-CZ 4.42Å
141S95.9Very high92.5Very high52 Ų5242.7 Ų42.736%0.36422%0.222SC..Hα-helixtrans-62.6-42.3175.4-168.90000112.2M137 K138 F139 T145M137-S141 PolarHBondContact O-N 2.99Å; K138-S141 PolarHBondContact O-N 2.85Å; F139-S141 PolarHBondContact O-N 2.99Å; S141-T145 PolarHBondContact O-N 3.43Å; S141-T145 PolarHBondContact O-OG1 3.16Å
142A96.9Very high94Very high10 Ų1035.4 Ų35.48%0.08319%0.188CC..Hα-helixtrans-64.6-46.917600000111.1A111 K138 F139 L144 T145 M146A111-A142 HydrophobicContact CB-CB 4.17Å; K138-A142 PolarHBondContact O-N 2.69Å; F139-A142 PolarHBondContact O-N 3.05Å; A142-L144 VanDerWaalsContact C-N 3.34Å; A142-L144 PolarHBondContact O-N 3.15Å; A142-T145 WeakPolarHBondContact O-CB 3.45Å; A142-T145 PolarHBondContact O-N 3.32Å; A142-T145 VanDerWaalsContact O-N 3.07Å; A142-M146 WeakPolarHBondContact O-CB 3.43Å; A142-M146 VanDerWaalsContact O-CG 3.27Å; A142-M146 WeakPolarHBondContact O-CG 3.31Å; A142-M146 PolarHBondContact O-N 2.92Å
143A97.9Very high95.2Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-57.6-44.2177.700000112.6L55 V121 M123 F139 L140 T145 M146 S147 V151L55-A143 HydrophobicContact CD1-CB 3.81Å; V121-A143 HydrophobicContact CB-CB 4.17Å; V121-A143 HydrophobicContact CG1-CB 3.64Å; M123-A143 HydrophobicContact CE-CB 3.9Å; M123-A143 HydrophobicContact SD-CB 4.17Å; F139-A143 WeakPolarHBondContact O-CB 3.46Å; F139-A143 PolarHBondContact O-N 3.37Å; L140-A143 PolarHBondContact O-N 3.04Å; A143-T145 VanDerWaalsContact C-N 3.28Å; A143-T145 PolarHBondContact O-N 2.97Å; A143-M146 PolarHBondContact O-N 3.29Å; A143-S147 VanDerWaalsContact O-CB 3.23Å; A143-S147 WeakPolarHBondContact O-CB 3.01Å; A143-S147 PolarHBondContact O-N 2.94Å; A143-S147 PolarHBondContact O-OG 3.48Å; A143-V151 HydrophobicContact CB-CB 4.42Å; A143-V151 HydrophobicContact CB-CG1 3.58Å; A143-V151 HydrophobicContact CB-CG2 3.9Å; A143-V151 WeakPolarHBondContact O-CG2 3.35Å
144L97.6Very high95.9Very high26 Ų2626.4 Ų26.414%0.13615%0.145CC..Hα-helixtrans-64.3-33.8177.2-72171.6000112.3L140 A142 S147 V151 W170 V172 F205L140-L144 HydrophobicContact CD1-CD1 4.43Å; L140-L144 HydrophobicContact CD1-CG 4.35Å; L140-L144 HydrophobicContact CG-CD1 4.24Å; L140-L144 WeakPolarHBondContact O-CB 3.38Å; L140-L144 VanDerWaalsContact O-CG 3.27Å; L140-L144 WeakPolarHBondContact O-CG 3.34Å; L140-L144 PolarHBondContact O-N 3.25Å; A142-L144 VanDerWaalsContact C-N 3.34Å; A142-L144 PolarHBondContact O-N 3.15Å; L144-S147 PolarHBondContact O-OG 3.36Å; L144-V151 HydrophobicContact CD2-CB 4.39Å; L144-V151 HydrophobicContact CD2-CG2 3.84Å; L144-V151 HydrophobicContact CG-CG2 4.3Å; L144-W170 HydrophobicContact CD1-CD2 4.3Å; L144-W170 HydrophobicContact CD1-CE3 3.42Å; L144-W170 VanDerWaalsContact CD1-CE3 3.42Å; L144-W170 HydrophobicContact CD1-CZ3 3.68Å; L144-V172 HydrophobicContact CD1-CG2 4.08Å; L144-V172 HydrophobicContact CD2-CB 4.48Å; L144-V172 HydrophobicContact CD2-CG1 4.24Å; L144-V172 HydrophobicContact CD2-CG2 4.26Å; L144-F205 HydrophobicContact CD2-CB 3.75Å; L144-F205 HydrophobicContact CD2-CG 4.37Å
145T97.2Very high96.3Very high45 Ų4524.9 Ų24.928%0.27613%0.13SC..Hα-helixtrans-71.3-44.4175.8-57.10000111.3A111 G115 Q116 S141 A142 A143A111-T145 HydrophobicContact CB-CG2 4.01Å; G115-T145 WeakPolarHBondContact CA-O 3.27Å; Q116-T145 PolarHBondContact N-O 3.49Å; S141-T145 PolarHBondContact O-N 3.43Å; S141-T145 PolarHBondContact O-OG1 3.16Å; A142-T145 WeakPolarHBondContact O-CB 3.45Å; A142-T145 PolarHBondContact O-N 3.32Å; A142-T145 VanDerWaalsContact O-N 3.07Å; A143-T145 VanDerWaalsContact C-N 3.28Å; A143-T145 PolarHBondContact O-N 2.97Å
146M97.8Very high96.4Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-72.9-30.8-177.5-67.7173.367.500113.2A53 L55 F77 L109 A111 Y114 Q116 K117 F118 V121 A142 A143A53-M146 HydrophobicContact CB-CE 4.34Å; L55-M146 HydrophobicContact CD1-SD 4.3Å; L55-M146 HydrophobicContact CD2-CE 3.99Å; L55-M146 HydrophobicContact CD2-SD 4.11Å; F77-M146 HydrophobicContact CE1-CE 3.97Å; F77-M146 HydrophobicContact CE2-CE 3.94Å; F77-M146 HydrophobicContact CZ-CE 3.61Å; L109-M146 HydrophobicContact CD2-SD 4.17Å; A111-M146 HydrophobicContact CB-CG 4.49Å; Y114-M146 HydrophobicContact CG-CE 4.3Å; Y114-M146 WeakPolarHBondContact O-CA 3.46Å; Q116-M146 CarbonylContact C-O 3.57Å; Q116-M146 VanDerWaalsContact CA-O 3.25Å; Q116-M146 WeakPolarHBondContact CA-O 3.44Å; Q116-M146 PolarHBondContact N-O 3.4Å; K117-M146 PolarHBondContact N-O 2.83Å; K117-M146 VanDerWaalsContact N-O 3.17Å; F118-M146 HydrophobicContact CD2-CB 4.36Å; F118-M146 HydrophobicContact CD2-CE 3.85Å; F118-M146 HydrophobicContact CE2-CE 3.62Å; F118-M146 PolarHBondContact N-O 3.17Å; V121-M146 HydrophobicContact CG2-CB 4.17Å; A142-M146 WeakPolarHBondContact O-CB 3.43Å; A142-M146 VanDerWaalsContact O-CG 3.27Å; A142-M146 WeakPolarHBondContact O-CG 3.31Å; A142-M146 PolarHBondContact O-N 2.92Å; A143-M146 PolarHBondContact O-N 3.29Å
147S98Very high96.5Very high5 Ų526.2 Ų26.24%0.03514%0.136CC..EExtended strand (participates in β ladder)trans-77.5138.7-176.764.50000113.2F118 A143 L144 A150 V151 K207F118-S147 CarbonylContact O-C 3.55Å; F118-S147 WeakPolarHBondContact O-CA 3.12Å; A143-S147 VanDerWaalsContact O-CB 3.23Å; A143-S147 WeakPolarHBondContact O-CB 3.01Å; A143-S147 PolarHBondContact O-N 2.94Å; A143-S147 PolarHBondContact O-OG 3.48Å; L144-S147 PolarHBondContact O-OG 3.36Å; S147-A150 WeakPolarHBondContact CB-O 3.37Å; S147-V151 VanDerWaalsContact OG-CG2 3.23Å; S147-V151 WeakPolarHBondContact OG-CG2 3.43Å; S147-K207 PolarHBondContact O-NZ 3.44Å
148K97.1Very high96.4Very high115 Ų11530.3 Ų30.350%0.517%0.167SC..EExtended strand (participates in β ladder)trans-87.5-48.4171.1-175.2179.1170.1-167.10110.3Q116 F118 D119 K207Q116-K148 HydrophobicContact CB-CB 4.47Å; F118-K148 WeakPolarHBondContact O-CB 3.38Å; F118-K148 PolarHBondContact O-N 3.17Å; D119-K148 IonicContact OD1-NZ 3.75Å; K148-K207 PolarHBondContact O-NZ 3.05Å
149T97.1Very high96.4Very high60 Ų6026.5 Ų26.537%0.36815%0.154SC..EExtended strand (participates in β ladder)trans-107-59.8-171.4-51.10000112.5D119D119-T149 VanDerWaalsContact O-CB 3.23Å; D119-T149 WeakPolarHBondContact O-CB 3.33Å; D119-T149 PolarHBondContact O-N 3.22Å
150A98.2Very high96.3Very high0 Ų029 Ų290%016%0.163CC..EExtended strand (participates in β ladder)trans-146.6152.2-170.300000113.9D119 T120 V121 S147 Y152 F205D119-A150 PolarHBondContact O-N 2.92Å; T120-A150 WeakPolarHBondContact CA-O 3.28Å; V121-A150 PolarHBondContact N-O 3.45Å; S147-A150 WeakPolarHBondContact CB-O 3.37Å; A150-Y152 HydrophobicContact CB-CD2 4.31Å; A150-Y152 HydrophobicContact CB-CE2 3.63Å; A150-F205 VanDerWaalsContact CA-O 3.31Å; A150-F205 WeakPolarHBondContact CA-O 3.37Å
151V98.8Very high96.3Very high0 Ų037.3 Ų37.30%020%0.202CC..EExtended strand (participates in β ladder)trans-119.6135.5167.8-179.70000109.3V121 M123 L140 A143 L144 S147 R204 F205V121-V151 HydrophobicContact CB-CG2 4.29Å; V121-V151 CarbonylContact O-C 3.59Å; V121-V151 VanDerWaalsContact O-CA 3.31Å; V121-V151 WeakPolarHBondContact O-CA 3.37Å; M123-V151 HydrophobicContact CE-CG1 4.07Å; L140-V151 HydrophobicContact CD1-CG1 4.13Å; A143-V151 HydrophobicContact CB-CB 4.42Å; A143-V151 HydrophobicContact CB-CG1 3.58Å; A143-V151 HydrophobicContact CB-CG2 3.9Å; A143-V151 WeakPolarHBondContact O-CG2 3.35Å; L144-V151 HydrophobicContact CD2-CB 4.39Å; L144-V151 HydrophobicContact CD2-CG2 3.84Å; L144-V151 HydrophobicContact CG-CG2 4.3Å; S147-V151 VanDerWaalsContact OG-CG2 3.23Å; S147-V151 WeakPolarHBondContact OG-CG2 3.43Å; V151-R204 CarbonylContact O-C 3.56Å; V151-R204 WeakPolarHBondContact O-CA 3.5Å; V151-F205 HydrophobicContact CB-CB 4.2Å; V151-F205 HydrophobicContact CB-CD2 4.27Å; V151-F205 HydrophobicContact CG1-CD2 4.33Å; V151-F205 PolarHBondContact N-O 2.94Å; V151-F205 PolarHBondContact O-N 3.38Å
152Y98.8Very high96.3Very high0 Ų039.5 Ų39.50%021%0.206CC..EExtended strand (participates in β ladder)trans-121.7121.7177.3-69.7-84.1000109.6I40 F44 D46 T120 V121 I122 M123 A150 L177 F202 L203 R204I40-Y152 HydrophobicContact CB-CE1 4.43Å; I40-Y152 HydrophobicContact CB-CE2 4.5Å; I40-Y152 HydrophobicContact CD1-CD1 3.95Å; I40-Y152 HydrophobicContact CD1-CD2 3.99Å; I40-Y152 HydrophobicContact CD1-CE1 4.49Å; I40-Y152 HydrophobicContact CD1-CG 3.62Å; I40-Y152 HydrophobicContact CG1-CD1 3.59Å; I40-Y152 HydrophobicContact CG1-CD2 4.05Å; I40-Y152 HydrophobicContact CG1-CE1 3.69Å; I40-Y152 HydrophobicContact CG1-CE2 4.19Å; I40-Y152 HydrophobicContact CG1-CG 3.73Å; I40-Y152 HydrophobicContact CG2-CD2 3.99Å; I40-Y152 HydrophobicContact CG2-CE1 4.35Å; I40-Y152 HydrophobicContact CG2-CE2 3.61Å; F44-Y152 WeakPolarHBondContact CB-OH 3.46Å; F44-Y152 HydrophobicContact CD2-CE1 4.15Å; F44-Y152 WeakPolarHBondContact CD2-OH 3.47Å; F44-Y152 HydrophobicContact CE2-CE1 4.42Å; F44-Y152 WeakPolarHBondContact CG-OH 3.32Å; D46-Y152 HydrophobicContact CB-CE2 3.91Å; D46-Y152 PolarHBondContact OD2-OH 2.93Å; T120-Y152 HydrophobicContact CG2-CD2 3.63Å; T120-Y152 HydrophobicContact CG2-CE2 3.77Å; V121-Y152 PolarHBondContact O-N 3.25Å; I122-Y152 CarbonylContact C-O 3.6Å; I122-Y152 WeakPolarHBondContact CA-O 3.45Å; I122-Y152 HydrophobicContact CG2-CD2 4.48Å; M123-Y152 PolarHBondContact N-O 3.45Å; A150-Y152 HydrophobicContact CB-CD2 4.31Å; A150-Y152 HydrophobicContact CB-CE2 3.63Å; Y152-L177 HydrophobicContact CD1-CD1 4.22Å; Y152-L177 HydrophobicContact CE1-CD1 3.92Å; Y152-F202 AromaticContact CD1-CE2 3.68Å; Y152-F202 HydrophobicContact CD1-CE2 3.68Å; Y152-F202 AromaticContact CD1-CZ 3.64Å; Y152-F202 HydrophobicContact CD1-CZ 3.64Å; Y152-F202 HydrophobicContact CE1-CZ 4.27Å; Y152-F202 HydrophobicContact CG-CE2 4.31Å; Y152-L203 WeakPolarHBondContact CA-O 3.37Å; Y152-R204 HydrophobicContact CD1-CB 4Å; Y152-R204 HydrophobicContact CD1-CG 4.05Å; Y152-R204 HydrophobicContact CE1-CB 3.83Å; Y152-R204 HydrophobicContact CE1-CG 3.55Å; Y152-R204 WeakPolarHBondContact OH-CD 3.37Å; Y152-R204 PolarHBondContact OH-NE 3.32Å
153S98.2Very high96.3Very high0 Ų039 Ų390%020%0.202CC..EExtended strand (participates in β ladder)trans-143.8150.6-172.6-171.20000112.9M123 H155 L203M123-S153 WeakPolarHBondContact CE-OG 3.36Å; M123-S153 WeakPolarHBondContact O-CA 3.48Å; S153-H155 WeakPolarHBondContact CB-NE2 3.37Å; S153-H155 PolarHBondContact OG-CD2 2.89Å; S153-H155 PolarHBondContact OG-NE2 3.02Å; S153-L203 PolarHBondContact N-O 2.76Å; S153-L203 PolarHBondContact O-N 3.31Å
154L96.2Very high96.3Very high0 Ų042.1 Ų42.10%022%0.217CC..EExtended strand (participates in β ladder)trans-99.3129.8169.5-58.2-179.8000109.8I32 M36 M123 N124 P125 L180 Y182 D201 F202I32-L154 HydrophobicContact CG2-CD1 3.84Å; M36-L154 HydrophobicContact SD-CD1 4.34Å; M36-L154 HydrophobicContact SD-CD2 4.29Å; M36-L154 HydrophobicContact SD-CG 4.19Å; M123-L154 PolarHBondContact O-N 2.87Å; N124-L154 HydrophobicContact CB-CD1 4.17Å; P125-L154 WeakPolarHBondContact CD-O 3.15Å; L154-L180 HydrophobicContact CD2-CD1 4.06Å; L154-Y182 HydrophobicContact CD1-CE2 4.07Å; L154-Y182 WeakPolarHBondContact CD1-OH 3.05Å; L154-D201 WeakPolarHBondContact CA-O 3.47Å; L154-F202 HydrophobicContact CD2-CB 3.84Å; L154-F202 HydrophobicContact CD2-CD2 4.03Å; L154-F202 HydrophobicContact CD2-CG 4.26Å
155H94.5Very high96.2Very high1 Ų147.3 Ų47.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-138.2153.2175.2-68.6-94.8000111.1D136 S153 T157 I163 V200 D201 L203D136-H155 IonicContact OD2-ND1 3.92Å; D136-H155 PolarHBondContact OD2-ND1 3.08Å; S153-H155 WeakPolarHBondContact CB-NE2 3.37Å; S153-H155 PolarHBondContact OG-CD2 2.89Å; S153-H155 PolarHBondContact OG-NE2 3.02Å; H155-T157 PolarHBondContact O-N 2.92Å; H155-I163 HydrophobicContact CB-CD1 3.33Å; H155-I163 VanDerWaalsContact CG-CD1 3.42Å; H155-V200 CarbonylContact O-C 3.59Å; H155-V200 WeakPolarHBondContact O-CA 3.34Å; H155-V200 WeakPolarHBondContact O-CB 3.42Å; H155-D201 PolarHBondContact N-O 3.02Å; H155-D201 VanDerWaalsContact N-O 3.09Å; H155-D201 PolarHBondContact O-N 3.4Å; H155-L203 HydrophobicContact CB-CD1 4.21Å
156K92.3Very high96.2Very high48 Ų4848.6 Ų48.621%0.20924%0.24CC..EExtended strand (participates in β ladder)trans-58.3131.8176.2-72.6171.5179.4147.20110.7F127 S158 T159 I198F127-K156 HydrophobicContact CB-CD 4.02Å; F127-K156 HydrophobicContact CB-CG 4.19Å; F127-K156 VanDerWaalsContact CB-NZ 3.29Å; F127-K156 HydrophobicContact CD1-CG 4.15Å; F127-K156 HydrophobicContact CD2-CG 4.47Å; F127-K156 HydrophobicContact CG-CD 4.4Å; F127-K156 HydrophobicContact CG-CG 4.06Å; F127-K156 PolarHBondContact O-NZ 3.31Å; K156-S158 PolarHBondContact O-N 2.85Å; K156-S158 VanDerWaalsContact O-N 3.11Å; K156-T159 HydrophobicContact CB-CG2 4.25Å; K156-T159 PolarHBondContact O-N 3.08Å; K156-T159 PolarHBondContact O-OG1 3.4Å; K156-I198 HydrophobicContact CG-CG2 4.32Å
157T93.4Very high96.2Very high29 Ų2948.7 Ų48.718%0.17824%0.241CC..G310 helixtrans-55.8-34.4178-570000112.2H155 T159 R160 Q199 V200 D201H155-T157 PolarHBondContact O-N 2.92Å; T157-T159 PolarHBondContact O-N 3Å; T157-T159 VanDerWaalsContact O-N 3.07Å; T157-R160 VanDerWaalsContact O-CB 3.31Å; T157-R160 WeakPolarHBondContact O-CB 3.36Å; T157-R160 PolarHBondContact O-N 3.45Å; T157-R160 VanDerWaalsContact O-N 3.12Å; T157-Q199 PolarHBondContact N-O 3.43Å; T157-Q199 PolarHBondContact OG1-O 3.21Å; T157-V200 VanDerWaalsContact OG1-C 3.3Å; T157-V200 PolarHBondContact OG1-N 3.25Å; T157-D201 WeakPolarHBondContact CB-OD1 3.24Å; T157-D201 WeakPolarHBondContact CG2-OD1 3.33Å; T157-D201 PolarHBondContact OG1-OD1 3.48Å
158S92.4Very high96.1Very high111 Ų11153.4 Ų53.478%0.77627%0.266SS*.G310 helixtrans-63.8-13.3176.3650000114.5K156K156-S158 PolarHBondContact O-N 2.85Å; K156-S158 VanDerWaalsContact O-N 3.11Å
159T92.8Very high96.1Very high40 Ų4052.7 Ų52.725%0.24527%0.267CS..G310 helixtrans-103.3-0.8178.862.40000113.4K156 T157 E161 H162 I163K156-T159 HydrophobicContact CB-CG2 4.25Å; K156-T159 PolarHBondContact O-N 3.08Å; K156-T159 PolarHBondContact O-OG1 3.4Å; T157-T159 PolarHBondContact O-N 3Å; T157-T159 VanDerWaalsContact O-N 3.07Å; T159-E161 PolarHBondContact O-N 3.32Å; T159-H162 WeakPolarHBondContact O-CB 3.44Å; T159-H162 PolarHBondContact O-N 3.34Å; T159-I163 WeakPolarHBondContact O-CG1 3.3Å; T159-I163 PolarHBondContact O-N 3.08Å; T159-I163 WeakPolarHBondContact OG1-CD1 3.42Å
160R95.3Very high96Very high68 Ų6854.3 Ų54.326%0.25727%0.267SS..Hα-helixtrans-49.6-50.2-176.7-177.7-173.3-63.4174.72.1113.6T157 H162 I163 Q164 M174 E179 D201T157-R160 VanDerWaalsContact O-CB 3.31Å; T157-R160 WeakPolarHBondContact O-CB 3.36Å; T157-R160 PolarHBondContact O-N 3.45Å; T157-R160 VanDerWaalsContact O-N 3.12Å; R160-H162 VanDerWaalsContact C-N 3.29Å; R160-H162 PolarHBondContact O-N 2.88Å; R160-I163 PolarHBondContact O-N 3.39Å; R160-Q164 WeakPolarHBondContact O-CB 3.46Å; R160-Q164 PolarHBondContact O-N 3.21Å; R160-M174 HydrophobicContact CG-CE 4.29Å; R160-E179 IonicContact CZ-OE1 2.99Å; R160-E179 VanDerWaalsContact CZ-OE1 3.31Å; R160-E179 IonicContact NH1-OE1 3.6Å; R160-E179 PolarHBondContact NH1-OE1 2.86Å; R160-E179 IonicContact NH2-OE1 3.4Å; R160-E179 PolarHBondContact NH2-OE1 3.01Å; R160-D201 IonicContact CZ-OD1 3.82Å; R160-D201 IonicContact CZ-OD2 3.31Å; R160-D201 VanDerWaalsContact CZ-OD2 3.26Å; R160-D201 IonicContact NE-OD1 2.76Å; R160-D201 IonicContact NE-OD2 3Å; R160-D201 PolarHBondContact NE-OD2 3.26Å; R160-D201 IonicContact NH2-OD1 3.43Å; R160-D201 PolarHBondContact NH2-OD1 2.96Å; R160-D201 IonicContact NH2-OD2 2.66Å; R160-D201 PolarHBondContact NH2-OD2 3.19Å
161E96.4Very high96Very high173 Ų17356.4 Ų56.481%0.80829%0.288SS*.Hα-helixtrans-62.4-37.8-178.1-67.1-174.2171.500112.1T159 K165T159-E161 PolarHBondContact O-N 3.32Å; E161-K165 PolarHBondContact O-N 2.91Å
162H95.3Very high95.9Very high98 Ų9857.4 Ų57.445%0.45429%0.294SS..Hα-helixtrans-64.9-46.3176.5179.671.5000111.2T159 R160 K165 K166T159-H162 WeakPolarHBondContact O-CB 3.44Å; T159-H162 PolarHBondContact O-N 3.34Å; R160-H162 VanDerWaalsContact C-N 3.29Å; R160-H162 PolarHBondContact O-N 2.88Å; H162-K165 PolarHBondContact O-N 3.16Å; H162-K166 PolarHBondContact O-N 2.94Å
163I96.4Very high95.9Very high1 Ų162 Ų621%0.00531%0.314CS..Hα-helixtrans-65.6-42.6179.9-61165.3000110.4M137 L140 H155 T159 R160 K165 K166 A167 M174 L203 F205M137-I163 HydrophobicContact SD-CG1 3.89Å; L140-I163 HydrophobicContact CD2-CG2 3.99Å; H155-I163 HydrophobicContact CB-CD1 3.33Å; H155-I163 VanDerWaalsContact CG-CD1 3.42Å; T159-I163 WeakPolarHBondContact O-CG1 3.3Å; T159-I163 PolarHBondContact O-N 3.08Å; T159-I163 WeakPolarHBondContact OG1-CD1 3.42Å; R160-I163 PolarHBondContact O-N 3.39Å; I163-K165 VanDerWaalsContact C-N 3.32Å; I163-K165 PolarHBondContact O-N 2.78Å; I163-K166 CarbonylContact O-C 3.36Å; I163-K166 PolarHBondContact O-N 2.6Å; I163-K166 VanDerWaalsContact O-N 3.11Å; I163-A167 WeakPolarHBondContact O-CB 3.44Å; I163-A167 PolarHBondContact O-N 3.4Å; I163-M174 HydrophobicContact CB-SD 4.28Å; I163-M174 HydrophobicContact CG2-SD 3.65Å; I163-L203 HydrophobicContact CD1-CD1 4.19Å; I163-L203 HydrophobicContact CG2-CD1 4Å; I163-F205 HydrophobicContact CG2-CE1 3.83Å; I163-F205 HydrophobicContact CG2-CZ 3.64Å
164Q97.8Very high95.9Very high65 Ų6562.7 Ų62.730%0.30432%0.318SS..Hα-helixtrans-59.5-42.6176-177.461.977.500111.9R160 K166 A167 N168 M174R160-Q164 WeakPolarHBondContact O-CB 3.46Å; R160-Q164 PolarHBondContact O-N 3.21Å; Q164-K166 VanDerWaalsContact C-N 3.32Å; Q164-K166 PolarHBondContact O-N 2.73Å; Q164-A167 PolarHBondContact O-N 3.07Å; Q164-N168 PolarHBondContact NE2-OD1 3.09Å; Q164-N168 VanDerWaalsContact NE2-OD1 3.1Å; Q164-N168 PolarHBondContact O-N 3.34Å; Q164-N168 VanDerWaalsContact O-N 3.07Å; Q164-N168 PolarHBondContact O-ND2 2.68Å; Q164-N168 PolarHBondContact O-OD1 3.28Å; Q164-M174 HydrophobicContact CB-CE 3.8Å; Q164-M174 HydrophobicContact CB-SD 4.23Å; Q164-M174 HydrophobicContact CG-CE 4.38Å; Q164-M174 VanDerWaalsContact OE1-CE 3.26Å
165K97.1Very high95.9Very high135 Ų13565.5 Ų65.559%0.58733%0.331SS*.Hα-helixtrans-61.2-43.7175.3-176.2178.6177.31800111E161 H162 I163 N168 D169E161-K165 PolarHBondContact O-N 2.91Å; H162-K165 PolarHBondContact O-N 3.16Å; I163-K165 VanDerWaalsContact C-N 3.32Å; I163-K165 PolarHBondContact O-N 2.78Å; K165-N168 WeakPolarHBondContact O-CB 3.01Å; K165-N168 PolarHBondContact O-N 2.74Å; K165-D169 VanDerWaalsContact O-CG 3.29Å; K165-D169 PolarHBondContact O-N 2.69Å
166K96.6Very high96.1Very high72 Ų7268.3 Ų68.331%0.31335%0.348SS..Hα-helixtrans-66.3-40.2177.9-74.5-68.5-177.2-169.10113.3M137 H162 I163 Q164 N168 D169 W170M137-K166 HydrophobicContact CE-CB 3.78Å; M137-K166 HydrophobicContact CE-CG 3.82Å; H162-K166 PolarHBondContact O-N 2.94Å; I163-K166 CarbonylContact O-C 3.36Å; I163-K166 PolarHBondContact O-N 2.6Å; I163-K166 VanDerWaalsContact O-N 3.11Å; Q164-K166 VanDerWaalsContact C-N 3.32Å; Q164-K166 PolarHBondContact O-N 2.73Å; K166-N168 VanDerWaalsContact C-N 3.28Å; K166-N168 PolarHBondContact O-N 3.36Å; K166-D169 PolarHBondContact O-N 2.71Å; K166-W170 HydrophobicContact CB-CE3 4.29Å; K166-W170 HydrophobicContact CB-CH2 4.33Å; K166-W170 HydrophobicContact CB-CZ3 4.17Å; K166-W170 HydrophobicContact CD-CZ2 4.45Å; K166-W170 WeakPolarHBondContact O-CB 3.35Å; K166-W170 VanDerWaalsContact O-CD2 3.31Å; K166-W170 VanDerWaalsContact O-CG 3.27Å; K166-W170 PolarHBondContact O-N 2.66Å
167A97Very high96.3Very high1 Ų168.5 Ų68.51%0.00835%0.351CS..Hα-helixtrans-57.6-43.2172.800000111.4I163 Q164 W170 G171 V172 M174 F205I163-A167 WeakPolarHBondContact O-CB 3.44Å; I163-A167 PolarHBondContact O-N 3.4Å; Q164-A167 PolarHBondContact O-N 3.07Å; A167-W170 CarbonylContact O-C 3.3Å; A167-W170 PolarHBondContact O-N 2.99Å; A167-G171 PolarHBondContact O-N 3.39Å; A167-V172 CarbonylContact C-O 3.43Å; A167-V172 HydrophobicContact CB-CG2 3.9Å; A167-V172 WeakPolarHBondContact O-CG2 3.42Å; A167-V172 PolarHBondContact O-N 2.98Å; A167-M174 HydrophobicContact CB-CB 3.81Å; A167-M174 HydrophobicContact CB-SD 4.42Å; A167-F205 HydrophobicContact CB-CD1 4.37Å; A167-F205 HydrophobicContact CB-CE1 4.27Å
168N96.8Very high96.3Very high105 Ų10568.8 Ų68.856%0.56136%0.356SS*.Hα-helixtrans-64.9-44.1175.4-63.6-16.3000112.2Q164 K165 K166 W170 G171Q164-N168 PolarHBondContact NE2-OD1 3.09Å; Q164-N168 VanDerWaalsContact NE2-OD1 3.1Å; Q164-N168 PolarHBondContact O-N 3.34Å; Q164-N168 VanDerWaalsContact O-N 3.07Å; Q164-N168 PolarHBondContact O-ND2 2.68Å; Q164-N168 PolarHBondContact O-OD1 3.28Å; K165-N168 WeakPolarHBondContact O-CB 3.01Å; K165-N168 PolarHBondContact O-N 2.74Å; K166-N168 VanDerWaalsContact C-N 3.28Å; K166-N168 PolarHBondContact O-N 3.36Å; N168-W170 PolarHBondContact O-N 3Å; N168-G171 PolarHBondContact O-N 3.2Å
169D96.6Very high96.3Very high99 Ų9969.7 Ų69.753%0.52935%0.348SS..Hα-helixtrans-59.9-35.1176.8-67.5-16.6000111.5K165 K166 G171K165-D169 VanDerWaalsContact O-CG 3.29Å; K165-D169 PolarHBondContact O-N 2.69Å; K166-D169 PolarHBondContact O-N 2.71Å; D169-G171 VanDerWaalsContact C-N 3.35Å
170W96.3Very high96Very high95 Ų9569.4 Ų69.436%0.3635%0.345SS..THydrogen-bonded Turntrans-85.2-4.2177.4-63.8-31.6000114.1M137 L140 L144 K166 A167 N168 V172M137-W170 HydrophobicContact CE-CH2 3.58Å; M137-W170 HydrophobicContact CE-CZ2 4.49Å; M137-W170 HydrophobicContact CE-CZ3 3.97Å; L140-W170 HydrophobicContact CD2-CZ3 3.9Å; L140-W170 HydrophobicContact CG-CZ3 3.97Å; L144-W170 HydrophobicContact CD1-CD2 4.3Å; L144-W170 HydrophobicContact CD1-CE3 3.42Å; L144-W170 VanDerWaalsContact CD1-CE3 3.42Å; L144-W170 HydrophobicContact CD1-CZ3 3.68Å; K166-W170 HydrophobicContact CB-CE3 4.29Å; K166-W170 HydrophobicContact CB-CH2 4.33Å; K166-W170 HydrophobicContact CB-CZ3 4.17Å; K166-W170 HydrophobicContact CD-CZ2 4.45Å; K166-W170 WeakPolarHBondContact O-CB 3.35Å; K166-W170 VanDerWaalsContact O-CD2 3.31Å; K166-W170 VanDerWaalsContact O-CG 3.27Å; K166-W170 PolarHBondContact O-N 2.66Å; A167-W170 CarbonylContact O-C 3.3Å; A167-W170 PolarHBondContact O-N 2.99Å; N168-W170 PolarHBondContact O-N 3Å; W170-V172 VanDerWaalsContact C-N 3.33Å; W170-V172 HydrophobicContact CB-CG2 4.24Å; W170-V172 PolarHBondContact O-N 2.79Å
171G96.6Very high95.1Very high44 Ų4474.9 Ų74.945%0.45437%0.366SS..THydrogen-bonded Turntrans6436.2-178.200000113.3A167 N168 D169 T208A167-G171 PolarHBondContact O-N 3.39Å; N168-G171 PolarHBondContact O-N 3.2Å; D169-G171 VanDerWaalsContact C-N 3.35Å; G171-T208 PolarHBondContact O-OG1 3.28Å; G171-T208 VanDerWaalsContact O-OG1 3.1Å
172V97.3Very high93.7Very high20 Ų2067 Ų6712%0.12133%0.328CS..EExtended strand (participates in β ladder)trans-116.3142.9176.6-610000110.8L144 A167 W170 F205L144-V172 HydrophobicContact CD1-CG2 4.08Å; L144-V172 HydrophobicContact CD2-CB 4.48Å; L144-V172 HydrophobicContact CD2-CG1 4.24Å; L144-V172 HydrophobicContact CD2-CG2 4.26Å; A167-V172 CarbonylContact C-O 3.43Å; A167-V172 HydrophobicContact CB-CG2 3.9Å; A167-V172 WeakPolarHBondContact O-CG2 3.42Å; A167-V172 PolarHBondContact O-N 2.98Å; W170-V172 VanDerWaalsContact C-N 3.33Å; W170-V172 HydrophobicContact CB-CG2 4.24Å; W170-V172 PolarHBondContact O-N 2.79Å; V172-F205 HydrophobicContact CG2-CD1 4.4Å
173K98Very high92.2Very high96 Ų9668 Ų6842%0.41734%0.337SS..EExtended strand (participates in β ladder)trans-75131174.4-172.5-171.1178.8-151.60108.9E175 F205 S206 T208K173-E175 HydrophobicContact CD-CG 4.4Å; K173-E175 VanDerWaalsContact CE-CD 3.42Å; K173-E175 WeakPolarHBondContact CE-OE2 3.33Å; K173-E175 HydrophobicContact CG-CG 4.42Å; K173-E175 IonicContact NZ-OE1 2.68Å; K173-E175 PolarHBondContact NZ-OE1 3.29Å; K173-E175 IonicContact NZ-OE2 3.32Å; K173-E175 PolarHBondContact NZ-OE2 3.47Å; K173-F205 CarbonylContact O-C 3.47Å; K173-F205 WeakPolarHBondContact O-CA 3.31Å; K173-S206 PolarHBondContact N-O 3.07Å; K173-S206 PolarHBondContact O-N 2.97Å; K173-T208 HydrophobicContact CB-CG2 4.31Å
174M98.1Very high90.4Very high16 Ų1669.2 Ų69.28%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-115.3136.5172.8-176.2-173.1104.600110.2R160 I163 Q164 A167 V176 L203 R204 F205R160-M174 HydrophobicContact CG-CE 4.29Å; I163-M174 HydrophobicContact CB-SD 4.28Å; I163-M174 HydrophobicContact CG2-SD 3.65Å; Q164-M174 HydrophobicContact CB-CE 3.8Å; Q164-M174 HydrophobicContact CB-SD 4.23Å; Q164-M174 HydrophobicContact CG-CE 4.38Å; Q164-M174 VanDerWaalsContact OE1-CE 3.26Å; A167-M174 HydrophobicContact CB-CB 3.81Å; A167-M174 HydrophobicContact CB-SD 4.42Å; M174-V176 HydrophobicContact CE-CG2 4.34Å; M174-L203 HydrophobicContact CE-CD2 4.34Å; M174-L203 HydrophobicContact SD-CD1 4.24Å; M174-R204 CarbonylContact C-O 3.54Å; M174-R204 WeakPolarHBondContact CA-O 3.19Å; M174-F205 HydrophobicContact CB-CD1 3.91Å; M174-F205 HydrophobicContact CB-CE1 3.91Å; M174-F205 HydrophobicContact CG-CD1 3.88Å; M174-F205 HydrophobicContact CG-CE1 3.46Å; M174-F205 VanDerWaalsContact CG-CE1 3.46Å; M174-F205 HydrophobicContact CG-CZ 3.99Å; M174-F205 HydrophobicContact SD-CE1 3.74Å; M174-F205 HydrophobicContact SD-CZ 4.14Å
175E98.1Very high88.4Confident58 Ų5870.4 Ų70.427%0.27136%0.357SS..EExtended strand (participates in β ladder)trans-131131.3177.4-63.2178.198.700109.8K173 L177 L203 R204K173-E175 HydrophobicContact CD-CG 4.4Å; K173-E175 VanDerWaalsContact CE-CD 3.42Å; K173-E175 WeakPolarHBondContact CE-OE2 3.33Å; K173-E175 HydrophobicContact CG-CG 4.42Å; K173-E175 IonicContact NZ-OE1 2.68Å; K173-E175 PolarHBondContact NZ-OE1 3.29Å; K173-E175 IonicContact NZ-OE2 3.32Å; K173-E175 PolarHBondContact NZ-OE2 3.47Å; E175-L177 HydrophobicContact CB-CD2 4.18Å; E175-L177 PolarHBondContact O-N 3.04Å; E175-L203 WeakPolarHBondContact O-CA 3.48Å; E175-R204 PolarHBondContact N-O 3.4Å; E175-R204 PolarHBondContact O-N 3.28Å; E175-R204 IonicContact OE2-NH1 3.62Å
176V98.1Very high86.5Confident60 Ų6066.3 Ų66.336%0.36435%0.348SS..EExtended strand (participates in β ladder)trans-85107.7169.2-176.10000107.4M174 E179 D201 L203M174-V176 HydrophobicContact CE-CG2 4.34Å; V176-E179 HydrophobicContact CG1-CG 4.43Å; V176-D201 HydrophobicContact CG1-CB 4.29Å; V176-L203 HydrophobicContact CB-CD2 4.17Å; V176-L203 HydrophobicContact CG1-CD2 4.35Å; V176-L203 HydrophobicContact CG2-CD2 3.67Å
177L96.8Very high84.5Confident52 Ų5265 Ų6527%0.27235%0.348SS..EExtended strand (participates in β ladder)trans-82.9-35.2-178.5-60.7-171.6000112.2T39 F44 Y152 E175 F202 R204T39-L177 HydrophobicContact CG2-CD1 4.4Å; F44-L177 HydrophobicContact CE2-CD1 3.6Å; F44-L177 HydrophobicContact CE2-CD2 4.14Å; F44-L177 HydrophobicContact CZ-CD1 4Å; F44-L177 HydrophobicContact CZ-CD2 3.69Å; Y152-L177 HydrophobicContact CD1-CD1 4.22Å; Y152-L177 HydrophobicContact CE1-CD1 3.92Å; E175-L177 HydrophobicContact CB-CD2 4.18Å; E175-L177 PolarHBondContact O-N 3.04Å; L177-F202 HydrophobicContact CB-CD1 3.74Å; L177-F202 HydrophobicContact CB-CE1 4.02Å; L177-F202 HydrophobicContact CB-CG 4.29Å; L177-F202 HydrophobicContact CD1-CD1 4.14Å; L177-F202 HydrophobicContact CD1-CE1 3.6Å; L177-F202 HydrophobicContact CD1-CE2 4.34Å; L177-F202 HydrophobicContact CD1-CZ 3.71Å; L177-F202 HydrophobicContact CG-CE1 4.43Å; L177-F202 PolarHBondContact N-O 3.25Å; L177-R204 HydrophobicContact CD1-CB 3.7Å; L177-R204 HydrophobicContact CD2-CB 4.16Å; L177-R204 HydrophobicContact CG-CB 3.89Å
178A93.1Very high82.4Confident35 Ų3566.7 Ų66.729%0.28935%0.354SS..EExtended strand (participates in β ladder)trans-157.4154175.800000111.4L180 F202A178-L180 HydrophobicContact CB-CD2 3.9Å; A178-L180 HydrophobicContact CB-CG 4.41Å; A178-F202 HydrophobicContact CB-CB 4.27Å; A178-F202 PolarHBondContact N-O 3.49Å; A178-F202 PolarHBondContact O-N 2.83Å
179E91.9Very high80.1Confident130 Ų13073.6 Ų73.661%0.60737%0.373SS*.EExtended strand (participates in β ladder)trans-102.7118.2166.1-61.2179.3143.500107.6R160 V176R160-E179 IonicContact CZ-OE1 2.99Å; R160-E179 VanDerWaalsContact CZ-OE1 3.31Å; R160-E179 IonicContact NH1-OE1 3.6Å; R160-E179 PolarHBondContact NH1-OE1 2.86Å; R160-E179 IonicContact NH2-OE1 3.4Å; R160-E179 PolarHBondContact NH2-OE1 3.01Å; V176-E179 HydrophobicContact CG1-CG 4.43Å
180L86.4Confident78Confident35 Ų3575.2 Ų75.218%0.18338%0.375CS..EExtended strand (participates in β ladder)trans-112.2156.1-175.3-48.2174000110.7I32 L154 A178 V200 F202I32-L180 HydrophobicContact CG2-CD1 3.94Å; L154-L180 HydrophobicContact CD2-CD1 4.06Å; A178-L180 HydrophobicContact CB-CD2 3.9Å; A178-L180 HydrophobicContact CB-CG 4.41Å; L180-V200 HydrophobicContact CB-CG2 3.7Å; L180-V200 HydrophobicContact CD1-CG2 4.4Å; L180-V200 HydrophobicContact CG-CG2 4.45Å; L180-V200 PolarHBondContact N-O 3.41Å; L180-V200 PolarHBondContact O-N 3.31Å; L180-F202 HydrophobicContact CD1-CB 4.11Å; L180-F202 HydrophobicContact CG-CB 4.5Å
181R76.7Confident75.8Confident183 Ų18374.5 Ų74.569%0.69138%0.376SS*.EExtended strand (participates in β ladder)trans-117.4119.1173.2-62.9-173.7-172.4-178.61.8109.4
182Y67.1Low73.6Confident6 Ų682.7 Ų82.72%0.02440%0.399CS..EExtended strand (participates in β ladder)trans-87.7113.2173-92.5-87.8000109.4I32 N124 F127 L154 L184 D197 I198 V200I32-Y182 HydrophobicContact CD1-CD1 3.57Å; I32-Y182 HydrophobicContact CD1-CD2 3.79Å; I32-Y182 HydrophobicContact CD1-CE1 3.46Å; I32-Y182 VanDerWaalsContact CD1-CE1 3.46Å; I32-Y182 HydrophobicContact CD1-CE2 3.72Å; I32-Y182 HydrophobicContact CD1-CG 3.72Å; N124-Y182 PolarHBondContact ND2-OH 2.85Å; N124-Y182 VanDerWaalsContact ND2-OH 3.09Å; F127-Y182 HydrophobicContact CZ-CE2 4.45Å; L154-Y182 HydrophobicContact CD1-CE2 4.07Å; L154-Y182 WeakPolarHBondContact CD1-OH 3.05Å; Y182-L184 HydrophobicContact CD1-CG 4.27Å; Y182-L184 PolarHBondContact O-N 3.11Å; Y182-D197 VanDerWaalsContact O-CA 3.31Å; Y182-D197 WeakPolarHBondContact O-CA 3.39Å; Y182-I198 WeakPolarHBondContact CB-O 3.3Å; Y182-I198 PolarHBondContact N-O 3Å; Y182-I198 PolarHBondContact O-N 3.34Å; Y182-V200 HydrophobicContact CD2-CB 4.15Å; Y182-V200 HydrophobicContact CD2-CG1 3.55Å; Y182-V200 HydrophobicContact CD2-CG2 3.48Å; Y182-V200 VanDerWaalsContact CD2-CG2 3.48Å; Y182-V200 HydrophobicContact CE2-CB 4.22Å; Y182-V200 HydrophobicContact CE2-CG1 3.82Å; Y182-V200 HydrophobicContact CE2-CG2 3.51Å
183D62.7Low71.4Confident121 Ų12189.4 Ų89.465%0.64743%0.426SS*.EExtended strand (participates in β ladder)trans-82.287.6155.2-79.5-44.6000107.8P185D183-P185 VanDerWaalsContact O-CD 3.24Å; D183-P185 WeakPolarHBondContact O-CD 3.03Å
184L58.7Low69.2Low26 Ų2694.1 Ų94.114%0.13645%0.447CS..EExtended strand (participates in β ladder)trans-70.6115.7173.1-87.5151000108.4Y26 Y182 S195 V196 I198Y26-L184 HydrophobicContact CD2-CD2 3.77Å; Y26-L184 HydrophobicContact CG-CD2 3.72Å; Y182-L184 HydrophobicContact CD1-CG 4.27Å; Y182-L184 PolarHBondContact O-N 3.11Å; L184-S195 WeakPolarHBondContact O-CA 2.91Å; L184-S195 WeakPolarHBondContact O-CB 3.01Å; L184-V196 PolarHBondContact N-O 3.07Å; L184-V196 PolarHBondContact O-N 3.22Å; L184-I198 HydrophobicContact CD1-CB 4.42Å; L184-I198 HydrophobicContact CD1-CD1 3.23Å; L184-I198 HydrophobicContact CD1-CG1 3.8Å
185P57.6Low67.3Low90 Ų9096 Ų9658%0.58446%0.462SS*.EExtended strand (participates in β ladder)trans-62159173.24.74.5000109.3D183 S187D183-P185 VanDerWaalsContact O-CD 3.24Å; D183-P185 WeakPolarHBondContact O-CD 3.03Å; P185-S187 VanDerWaalsContact C-N 3.26Å; P185-S187 PolarHBondContact O-N 2.86Å; P185-S187 PolarHBondContact O-OG 3.35Å
186A56.3Low65.5Low48 Ų4896.7 Ų96.740%0.39747%0.47SS..  trans-66.185.1173.900000111.1Y188 H191 K194A186-Y188 VanDerWaalsContact C-N 3.27Å; A186-Y188 PolarHBondContact O-N 2.86Å; A186-H191 WeakPolarHBondContact CA-ND1 3.47Å; A186-H191 HydrophobicContact CB-CB 3.85Å; A186-K194 PolarHBondContact N-O 3.12Å
187S54.1Low64Low44 Ų4497.9 Ų97.931%0.30847%0.474SS..  trans-74.3-15.7-179.3-45.60000113.6P185P185-S187 VanDerWaalsContact C-N 3.26Å; P185-S187 PolarHBondContact O-N 2.86Å; P185-S187 PolarHBondContact O-OG 3.35Å
188Y53.4Low62.9Low37 Ų3797.2 Ų97.215%0.14547%0.47CS..SBendtrans-116.6138.8-176.6-58.1-58.7000112.7P19 I21 Q25 A186 F190 H191P19-Y188 HydrophobicContact CB-CE1 3.99Å; P19-Y188 HydrophobicContact CG-CD1 4.43Å; P19-Y188 HydrophobicContact CG-CE1 4.01Å; I21-Y188 WeakPolarHBondContact CA-OH 3.17Å; I21-Y188 HydrophobicContact CB-CE1 4.13Å; I21-Y188 HydrophobicContact CD1-CD1 4Å; I21-Y188 HydrophobicContact CD1-CE1 4.2Å; I21-Y188 HydrophobicContact CD1-CG 4.44Å; I21-Y188 HydrophobicContact CG1-CD1 3.35Å; I21-Y188 HydrophobicContact CG1-CD2 4.15Å; I21-Y188 HydrophobicContact CG1-CE1 3.11Å; I21-Y188 HydrophobicContact CG1-CE2 4.01Å; I21-Y188 HydrophobicContact CG1-CG 3.89Å; I21-Y188 VanDerWaalsContact CG1-CZ 3.49Å; Q25-Y188 PolarHBondContact O-OH 2.76Å; A186-Y188 VanDerWaalsContact C-N 3.27Å; A186-Y188 PolarHBondContact O-N 2.86Å; Y188-F190 VanDerWaalsContact CB-CZ 3.42Å; Y188-F190 HydrophobicContact CD1-CZ 4.41Å; Y188-F190 HydrophobicContact CD2-CE2 4.48Å; Y188-F190 HydrophobicContact CD2-CZ 4.06Å; Y188-F190 HydrophobicContact CG-CE1 4.1Å; Y188-F190 HydrophobicContact CG-CE2 4.39Å; Y188-F190 AromaticContact CG-CZ 3.71Å; Y188-F190 HydrophobicContact CG-CZ 3.71Å; Y188-F190 PolarHBondContact O-N 3.39Å; Y188-H191 AromaticContact CD2-CE1 3.33Å; Y188-H191 WeakPolarHBondContact CD2-CE1 3.38Å; Y188-H191 AromaticContact CD2-NE2 3.55Å; Y188-H191 PolarHBondContact N-ND1 3.4Å; Y188-H191 PolarHBondContact O-N 3.22Å
189R48.8Very low62.7Low251 Ų251100.7 Ų100.795%0.94748%0.48SS*.THydrogen-bonded Turntrans-57.9-17.3-176.7-64.1-173.9-173.31775.3114.7
190F51.3Low62.6Low133 Ų13394.5 Ų94.558%0.58345%0.451SS*.THydrogen-bonded Turntrans-101.43.2-178.653.2-97000114.4I21 Y188 K192I21-F190 HydrophobicContact CD1-CE1 3.39Å; I21-F190 HydrophobicContact CD1-CZ 3.51Å; I21-F190 HydrophobicContact CG1-CE1 4.29Å; I21-F190 HydrophobicContact CG1-CZ 4.02Å; Y188-F190 VanDerWaalsContact CB-CZ 3.42Å; Y188-F190 HydrophobicContact CD1-CZ 4.41Å; Y188-F190 HydrophobicContact CD2-CE2 4.48Å; Y188-F190 HydrophobicContact CD2-CZ 4.06Å; Y188-F190 HydrophobicContact CG-CE1 4.1Å; Y188-F190 HydrophobicContact CG-CE2 4.39Å; Y188-F190 AromaticContact CG-CZ 3.71Å; Y188-F190 HydrophobicContact CG-CZ 3.71Å; Y188-F190 PolarHBondContact O-N 3.39Å; F190-K192 PolarHBondContact O-N 3.4Å
191H51.4Low63.1Low80 Ų8092.9 Ų92.937%0.3744%0.443SS..  trans-68.7119175.6-72.9160000111.7A186 Y188A186-H191 WeakPolarHBondContact CA-ND1 3.47Å; A186-H191 HydrophobicContact CB-CB 3.85Å; Y188-H191 AromaticContact CD2-CE1 3.33Å; Y188-H191 WeakPolarHBondContact CD2-CE1 3.38Å; Y188-H191 AromaticContact CD2-NE2 3.55Å; Y188-H191 PolarHBondContact N-ND1 3.4Å; Y188-H191 PolarHBondContact O-N 3.22Å
192K49.6Very low64.1Low216 Ų21684.3 Ų84.394%0.93941%0.411SS*.SBendtrans-77.7-19.4174.7-70-174.3178.3-178.60113.6F190F190-K192 PolarHBondContact O-N 3.4Å
193K50.4Low65.5Low161 Ų16184 Ų8470%0.741%0.41SS*.SBendtrans-107.9140.8179.2-68.5-174.8177.9-177.30109.5S195K193-S195 VanDerWaalsContact C-N 3.3Å; K193-S195 PolarHBondContact O-N 2.99Å
194K53.2Low67.3Low194 Ų19479.7 Ų79.784%0.84338%0.384SS*.SBendtrans-65.8-30.9-178.6-70.9-173.2175.5-175.20113.1A186A186-K194 PolarHBondContact N-O 3.12Å
195S57.1Low69.2Low56 Ų5678.4 Ų78.439%0.39238%0.378SS..EExtended strand (participates in β ladder)trans-150.7160.217258.70000110.8L184 K193L184-S195 WeakPolarHBondContact O-CA 2.91Å; L184-S195 WeakPolarHBondContact O-CB 3.01Å; K193-S195 VanDerWaalsContact C-N 3.3Å; K193-S195 PolarHBondContact O-N 2.99Å
196V61.3Low71Confident73 Ų7374.9 Ų74.944%0.44236%0.355SS..EExtended strand (participates in β ladder)trans-120.7126.8167.6-179.10000107.5L184 I198L184-V196 PolarHBondContact N-O 3.07Å; L184-V196 PolarHBondContact O-N 3.22Å; V196-I198 HydrophobicContact CG1-CG1 4.09Å; V196-I198 PolarHBondContact O-N 2.84Å
197D66.2Low72.4Confident85 Ų8577 Ų7746%0.45536%0.356SS..EExtended strand (participates in β ladder)trans-78114.9172.4-171.5-0.9000108.6Y182Y182-D197 VanDerWaalsContact O-CA 3.31Å; Y182-D197 WeakPolarHBondContact O-CA 3.39Å
198I74.3Confident73.1Confident37 Ų3782.9 Ų82.919%0.1939%0.39CS..EExtended strand (participates in β ladder)trans-112.4119.6173.6-54-168.4000108.9K156 Y182 L184 V196 V200K156-I198 HydrophobicContact CG-CG2 4.32Å; Y182-I198 WeakPolarHBondContact CB-O 3.3Å; Y182-I198 PolarHBondContact N-O 3Å; Y182-I198 PolarHBondContact O-N 3.34Å; L184-I198 HydrophobicContact CD1-CB 4.42Å; L184-I198 HydrophobicContact CD1-CD1 3.23Å; L184-I198 HydrophobicContact CD1-CG1 3.8Å; V196-I198 HydrophobicContact CG1-CG1 4.09Å; V196-I198 PolarHBondContact O-N 2.84Å; I198-V200 HydrophobicContact CG2-CG1 3.9Å
199Q87.5Confident74.1Confident108 Ų10885.2 Ų85.251%0.50540%0.402SS..EExtended strand (participates in β ladder)trans-80.4122.5171.8-65.3177-1.500109.4T157T157-Q199 PolarHBondContact N-O 3.43Å; T157-Q199 PolarHBondContact OG1-O 3.21Å
200V91.3Very high75.4Confident0 Ų076.5 Ų76.50%037%0.373CS..EExtended strand (participates in β ladder)trans-127.6155.1177.5-57.60000110.3F127 H155 T157 L180 Y182 I198F127-V200 HydrophobicContact CE1-CG1 4.14Å; F127-V200 HydrophobicContact CE2-CG1 4.23Å; F127-V200 HydrophobicContact CZ-CG1 3.62Å; H155-V200 CarbonylContact O-C 3.59Å; H155-V200 WeakPolarHBondContact O-CA 3.34Å; H155-V200 WeakPolarHBondContact O-CB 3.42Å; T157-V200 VanDerWaalsContact OG1-C 3.3Å; T157-V200 PolarHBondContact OG1-N 3.25Å; L180-V200 HydrophobicContact CB-CG2 3.7Å; L180-V200 HydrophobicContact CD1-CG2 4.4Å; L180-V200 HydrophobicContact CG-CG2 4.45Å; L180-V200 PolarHBondContact N-O 3.41Å; L180-V200 PolarHBondContact O-N 3.31Å; Y182-V200 HydrophobicContact CD2-CB 4.15Å; Y182-V200 HydrophobicContact CD2-CG1 3.55Å; Y182-V200 HydrophobicContact CD2-CG2 3.48Å; Y182-V200 VanDerWaalsContact CD2-CG2 3.48Å; Y182-V200 HydrophobicContact CE2-CB 4.22Å; Y182-V200 HydrophobicContact CE2-CG1 3.82Å; Y182-V200 HydrophobicContact CE2-CG2 3.51Å; I198-V200 HydrophobicContact CG2-CG1 3.9Å
201D95.5Very high76.8Confident1 Ų173.3 Ų73.31%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-103.9133.9170.1-60.9-17.5000109L154 H155 T157 R160 V176 L203L154-D201 WeakPolarHBondContact CA-O 3.47Å; H155-D201 PolarHBondContact N-O 3.02Å; H155-D201 VanDerWaalsContact N-O 3.09Å; H155-D201 PolarHBondContact O-N 3.4Å; T157-D201 WeakPolarHBondContact CB-OD1 3.24Å; T157-D201 WeakPolarHBondContact CG2-OD1 3.33Å; T157-D201 PolarHBondContact OG1-OD1 3.48Å; R160-D201 IonicContact CZ-OD1 3.82Å; R160-D201 IonicContact CZ-OD2 3.31Å; R160-D201 VanDerWaalsContact CZ-OD2 3.26Å; R160-D201 IonicContact NE-OD1 2.76Å; R160-D201 IonicContact NE-OD2 3Å; R160-D201 PolarHBondContact NE-OD2 3.26Å; R160-D201 IonicContact NH2-OD1 3.43Å; R160-D201 PolarHBondContact NH2-OD1 2.96Å; R160-D201 IonicContact NH2-OD2 2.66Å; R160-D201 PolarHBondContact NH2-OD2 3.19Å; V176-D201 HydrophobicContact CG1-CB 4.29Å; D201-L203 HydrophobicContact CB-CD2 3.59Å; D201-L203 HydrophobicContact CB-CG 3.98Å
202F97.4Very high78.3Confident4 Ų472.9 Ų72.92%0.01836%0.361CS..EExtended strand (participates in β ladder)trans-85.6109.3163.2175.1-147000108.8M36 T39 I40 Y152 L154 L177 A178 L180M36-F202 HydrophobicContact CB-CZ 4.41Å; M36-F202 HydrophobicContact CE-CE2 4.06Å; M36-F202 HydrophobicContact CG-CD2 4.12Å; M36-F202 HydrophobicContact CG-CE1 4.3Å; M36-F202 HydrophobicContact CG-CE2 3.61Å; M36-F202 HydrophobicContact CG-CZ 3.71Å; M36-F202 HydrophobicContact SD-CD2 4.47Å; M36-F202 HydrophobicContact SD-CE2 4.27Å; T39-F202 HydrophobicContact CG2-CE1 4.02Å; I40-F202 HydrophobicContact CD1-CZ 4.25Å; I40-F202 HydrophobicContact CG1-CZ 3.9Å; Y152-F202 AromaticContact CD1-CE2 3.68Å; Y152-F202 HydrophobicContact CD1-CE2 3.68Å; Y152-F202 AromaticContact CD1-CZ 3.64Å; Y152-F202 HydrophobicContact CD1-CZ 3.64Å; Y152-F202 HydrophobicContact CE1-CZ 4.27Å; Y152-F202 HydrophobicContact CG-CE2 4.31Å; L154-F202 HydrophobicContact CD2-CB 3.84Å; L154-F202 HydrophobicContact CD2-CD2 4.03Å; L154-F202 HydrophobicContact CD2-CG 4.26Å; L177-F202 HydrophobicContact CB-CD1 3.74Å; L177-F202 HydrophobicContact CB-CE1 4.02Å; L177-F202 HydrophobicContact CB-CG 4.29Å; L177-F202 HydrophobicContact CD1-CD1 4.14Å; L177-F202 HydrophobicContact CD1-CE1 3.6Å; L177-F202 HydrophobicContact CD1-CE2 4.34Å; L177-F202 HydrophobicContact CD1-CZ 3.71Å; L177-F202 HydrophobicContact CG-CE1 4.43Å; L177-F202 PolarHBondContact N-O 3.25Å; A178-F202 HydrophobicContact CB-CB 4.27Å; A178-F202 PolarHBondContact N-O 3.49Å; A178-F202 PolarHBondContact O-N 2.83Å; L180-F202 HydrophobicContact CD1-CB 4.11Å; L180-F202 HydrophobicContact CG-CB 4.5Å
203L98.4Very high80.1Confident0 Ų064 Ų640%033%0.325CS..EExtended strand (participates in β ladder)trans-106.8141.9-173.8-57-177000111Y152 S153 H155 I163 M174 E175 V176 D201 F205Y152-L203 WeakPolarHBondContact CA-O 3.37Å; S153-L203 PolarHBondContact N-O 2.76Å; S153-L203 PolarHBondContact O-N 3.31Å; H155-L203 HydrophobicContact CB-CD1 4.21Å; I163-L203 HydrophobicContact CD1-CD1 4.19Å; I163-L203 HydrophobicContact CG2-CD1 4Å; M174-L203 HydrophobicContact CE-CD2 4.34Å; M174-L203 HydrophobicContact SD-CD1 4.24Å; E175-L203 WeakPolarHBondContact O-CA 3.48Å; V176-L203 HydrophobicContact CB-CD2 4.17Å; V176-L203 HydrophobicContact CG1-CD2 4.35Å; V176-L203 HydrophobicContact CG2-CD2 3.67Å; D201-L203 HydrophobicContact CB-CD2 3.59Å; D201-L203 HydrophobicContact CB-CG 3.98Å; L203-F205 HydrophobicContact CB-CD2 4.43Å; L203-F205 HydrophobicContact CB-CE2 3.62Å; L203-F205 HydrophobicContact CB-CZ 3.96Å; L203-F205 HydrophobicContact CD1-CE2 4.2Å; L203-F205 HydrophobicContact CD1-CZ 3.76Å
204R98.6Very high82Confident29 Ų2957.5 Ų57.511%0.10930%0.3CS..EExtended strand (participates in β ladder)trans-113.9132.9165.5-178.5-179.9-170.8-89.1-2109.7D46 V151 Y152 M174 E175 L177 S206D46-R204 IonicContact OD2-CZ 2.99Å; D46-R204 IonicContact OD2-NE 2.69Å; D46-R204 IonicContact OD2-NH2 3.26Å; D46-R204 PolarHBondContact OD2-NH2 2.82Å; V151-R204 CarbonylContact O-C 3.56Å; V151-R204 WeakPolarHBondContact O-CA 3.5Å; Y152-R204 HydrophobicContact CD1-CB 4Å; Y152-R204 HydrophobicContact CD1-CG 4.05Å; Y152-R204 HydrophobicContact CE1-CB 3.83Å; Y152-R204 HydrophobicContact CE1-CG 3.55Å; Y152-R204 WeakPolarHBondContact OH-CD 3.37Å; Y152-R204 PolarHBondContact OH-NE 3.32Å; M174-R204 CarbonylContact C-O 3.54Å; M174-R204 WeakPolarHBondContact CA-O 3.19Å; E175-R204 PolarHBondContact N-O 3.4Å; E175-R204 PolarHBondContact O-N 3.28Å; E175-R204 IonicContact OE2-NH1 3.62Å; L177-R204 HydrophobicContact CD1-CB 3.7Å; L177-R204 HydrophobicContact CD2-CB 4.16Å; L177-R204 HydrophobicContact CG-CB 3.89Å; R204-S206 PolarHBondContact NH1-OG 3.18Å
205F98.7Very high84.1Confident0 Ų047.8 Ų47.80%026%0.261CS..EExtended strand (participates in β ladder)trans-115.9141.7171.1-51.6-100000109.9L140 L144 A150 V151 I163 A167 V172 K173 M174 L203L140-F205 HydrophobicContact CD1-CD2 3.77Å; L140-F205 HydrophobicContact CD1-CE1 4.31Å; L140-F205 HydrophobicContact CD1-CE2 3.55Å; L140-F205 HydrophobicContact CD1-CG 4.27Å; L140-F205 HydrophobicContact CD1-CZ 3.84Å; L140-F205 HydrophobicContact CD2-CE1 3.99Å; L140-F205 HydrophobicContact CD2-CE2 4.26Å; L140-F205 HydrophobicContact CD2-CZ 3.69Å; L140-F205 HydrophobicContact CG-CZ 4.42Å; L144-F205 HydrophobicContact CD2-CB 3.75Å; L144-F205 HydrophobicContact CD2-CG 4.37Å; A150-F205 VanDerWaalsContact CA-O 3.31Å; A150-F205 WeakPolarHBondContact CA-O 3.37Å; V151-F205 HydrophobicContact CB-CB 4.2Å; V151-F205 HydrophobicContact CB-CD2 4.27Å; V151-F205 HydrophobicContact CG1-CD2 4.33Å; V151-F205 PolarHBondContact N-O 2.94Å; V151-F205 PolarHBondContact O-N 3.38Å; I163-F205 HydrophobicContact CG2-CE1 3.83Å; I163-F205 HydrophobicContact CG2-CZ 3.64Å; A167-F205 HydrophobicContact CB-CD1 4.37Å; A167-F205 HydrophobicContact CB-CE1 4.27Å; V172-F205 HydrophobicContact CG2-CD1 4.4Å; K173-F205 CarbonylContact O-C 3.47Å; K173-F205 WeakPolarHBondContact O-CA 3.31Å; M174-F205 HydrophobicContact CB-CD1 3.91Å; M174-F205 HydrophobicContact CB-CE1 3.91Å; M174-F205 HydrophobicContact CG-CD1 3.88Å; M174-F205 HydrophobicContact CG-CE1 3.46Å; M174-F205 VanDerWaalsContact CG-CE1 3.46Å; M174-F205 HydrophobicContact CG-CZ 3.99Å; M174-F205 HydrophobicContact SD-CE1 3.74Å; M174-F205 HydrophobicContact SD-CZ 4.14Å; L203-F205 HydrophobicContact CB-CD2 4.43Å; L203-F205 HydrophobicContact CB-CE2 3.62Å; L203-F205 HydrophobicContact CB-CZ 3.96Å; L203-F205 HydrophobicContact CD1-CE2 4.2Å; L203-F205 HydrophobicContact CD1-CZ 3.76Å
206S96.4Very high86.2Confident16 Ų1647.2 Ų47.211%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-147.7153.5175.950.10000110.6K173 R204K173-S206 PolarHBondContact N-O 3.07Å; K173-S206 PolarHBondContact O-N 2.97Å; R204-S206 PolarHBondContact NH1-OG 3.18Å
207K85.8Confident88.2Confident93 Ų9345 Ų4540%0.40424%0.235SC..EExtended strand (participates in β ladder)trans-66.3136.8173.5-66.8175.9-176146.10109S147 K148S147-K207 PolarHBondContact O-NZ 3.44Å; K148-K207 PolarHBondContact O-NZ 3.05Å
208T68.8Low90.3Very high167 Ų16741.4 Ų41.4100%1.02522%0.215SC*.  trans-68.10170.728.80000112.7G171 K173G171-T208 PolarHBondContact O-OG1 3.28Å; G171-T208 VanDerWaalsContact O-OG1 3.1Å; K173-T208 HydrophobicContact CB-CG2 4.31Å

Retrieved 208 of 208 residues in 168.5 ms (Link to these results)

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