C4QC82_SCHMA Loading...

MTS domain-containing protein

AlphaFold DB , UniProt , Accession C4QC82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 213 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
1M42Very low83.4Confident220 Ų220103.6 Ų103.6100%1.08452%0.517SS*.  0144.70-68.4-65.2-171.700108.1T3M1-T3 PolarHBondContact O-N 3.24Å
2P51.2Low84.6Confident127 Ų127101.4 Ų101.483%0.82550%0.504SS*.PPolyproline II helixtrans-58.1128168.623.7-29.6000108.7L4P2-L4 PolarHBondContact O-N 3.01Å
3T70.7Confident85.6Confident108 Ų10893.6 Ų93.666%0.66347%0.465SS*.PPolyproline II helixtrans-58.8125.3-177.7-26.90000109.3M1 S5 M45M1-T3 PolarHBondContact O-N 3.24Å; T3-S5 PolarHBondContact O-N 2.81Å; T3-M45 HydrophobicContact CG2-CE 4.49Å
4L86.3Confident86.5Confident35 Ų3594.8 Ų94.818%0.18347%0.468CS..PPolyproline II helixtrans-58.1126.9177.3-178.765.9000108.9P2 K8 L9 F41 L71 L72P2-L4 PolarHBondContact O-N 3.01Å; L4-K8 HydrophobicContact CD1-CB 3.52Å; L4-K8 HydrophobicContact CD1-CD 4.28Å; L4-K8 HydrophobicContact CG-CB 4.38Å; L4-L9 HydrophobicContact CD2-CB 3.86Å; L4-L9 HydrophobicContact CD2-CD1 3.89Å; L4-L9 HydrophobicContact CD2-CG 4.45Å; L4-L9 HydrophobicContact CG-CB 4.23Å; L4-F41 WeakPolarHBondContact O-CE2 3.41Å; L4-L71 HydrophobicContact CD2-CB 3.95Å; L4-L71 WeakPolarHBondContact CD2-O 3.32Å; L4-L72 HydrophobicContact CD2-CD2 4.45Å
5S92.5Very high87.2Confident51 Ų5194.5 Ų94.536%0.35747%0.469SS..PPolyproline II helixtrans-79.3151.4179.172.30000111.2T3 K7 K8 L9T3-S5 PolarHBondContact O-N 2.81Å; S5-K7 PolarHBondContact O-N 2.97Å; S5-K7 VanDerWaalsContact O-N 3.15Å; S5-K8 WeakPolarHBondContact O-CA 3.48Å; S5-K8 PolarHBondContact O-N 2.72Å; S5-K8 WeakPolarHBondContact OG-CG 3.26Å; S5-K8 PolarHBondContact OG-N 3.15Å; S5-L9 PolarHBondContact O-N 2.68Å
6R92.8Very high87.9Confident132 Ų13289.2 Ų89.250%0.49844%0.444SS..Hα-helixtrans-51.1-40.8177.4-170.7173.166.3-161.8-1.1113.3L9 H10 D38 F41R6-L9 PolarHBondContact O-N 3.13Å; R6-H10 WeakPolarHBondContact O-CB 3.36Å; R6-H10 PolarHBondContact O-N 3.28Å; R6-D38 WeakPolarHBondContact CD-OD1 3.48Å; R6-D38 IonicContact NE-OD1 3.98Å; R6-F41 HydrophobicContact CB-CB 4.32Å; R6-F41 HydrophobicContact CB-CD1 3.95Å; R6-F41 HydrophobicContact CB-CD2 3.72Å; R6-F41 HydrophobicContact CB-CE1 4.1Å; R6-F41 HydrophobicContact CB-CE2 3.9Å; R6-F41 HydrophobicContact CB-CG 3.73Å; R6-F41 HydrophobicContact CB-CZ 4.06Å; R6-F41 HydrophobicContact CG-CB 4.02Å; R6-F41 HydrophobicContact CG-CD1 4.3Å; R6-F41 HydrophobicContact CG-CD2 4.33Å; R6-F41 HydrophobicContact CG-CG 3.97Å
7K94.7Very high88.4Confident176 Ų17690.7 Ų90.777%0.76545%0.447SS*.Hα-helixtrans-65.5-38.3177.7-174.4177.6179.7179.90112.4S5 H11S5-K7 PolarHBondContact O-N 2.97Å; S5-K7 VanDerWaalsContact O-N 3.15Å; K7-H11 WeakPolarHBondContact O-CB 3.36Å; K7-H11 PolarHBondContact O-N 2.79Å; K7-H11 VanDerWaalsContact O-N 3.12Å
8K96.6Very high88.8Confident135 Ų13589.4 Ų89.459%0.58745%0.445SS*.Hα-helixtrans-71.4-42.1176.7-74.2-177.5176.5-173.40111.3L4 S5 H11 Q12L4-K8 HydrophobicContact CD1-CB 3.52Å; L4-K8 HydrophobicContact CD1-CD 4.28Å; L4-K8 HydrophobicContact CG-CB 4.38Å; S5-K8 WeakPolarHBondContact O-CA 3.48Å; S5-K8 PolarHBondContact O-N 2.72Å; S5-K8 WeakPolarHBondContact OG-CG 3.26Å; S5-K8 PolarHBondContact OG-N 3.15Å; K8-H11 PolarHBondContact O-N 3.36Å; K8-Q12 WeakPolarHBondContact O-CG 3.24Å; K8-Q12 PolarHBondContact O-N 3Å
9L96.7Very high89Confident0 Ų085.8 Ų85.80%043%0.427CS..Hα-helixtrans-56.6-50.9173.3177.164.2000111L4 S5 R6 H11 Q12 L13 A37 L40 L71 L72L4-L9 HydrophobicContact CD2-CB 3.86Å; L4-L9 HydrophobicContact CD2-CD1 3.89Å; L4-L9 HydrophobicContact CD2-CG 4.45Å; L4-L9 HydrophobicContact CG-CB 4.23Å; S5-L9 PolarHBondContact O-N 2.68Å; R6-L9 PolarHBondContact O-N 3.13Å; L9-H11 VanDerWaalsContact C-N 3.31Å; L9-H11 PolarHBondContact O-N 3.48Å; L9-Q12 PolarHBondContact O-N 3.4Å; L9-L13 HydrophobicContact CD1-CD1 3.98Å; L9-L13 HydrophobicContact CD1-CG 4.14Å; L9-L13 HydrophobicContact CG-CD1 3.96Å; L9-L13 HydrophobicContact CG-CG 4.45Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 2.9Å; L9-A37 HydrophobicContact CD2-CB 4.13Å; L9-A37 HydrophobicContact CG-CB 4.12Å; L9-L40 HydrophobicContact CD2-CB 4.41Å; L9-L71 HydrophobicContact CD1-CB 3.87Å; L9-L71 HydrophobicContact CD1-CD1 4Å; L9-L72 HydrophobicContact CD1-CG 4.43Å; L9-L72 HydrophobicContact CD2-CD1 3.75Å; L9-L72 HydrophobicContact CD2-CD2 4.1Å; L9-L72 HydrophobicContact CD2-CG 3.94Å
10H96.6Very high89.1Confident39 Ų3989 Ų8918%0.18144%0.44CS..Hα-helixtrans-51.8-51.4175.1174.8-112.6000111.7R6 Q12 L13 E14 A33 Q34 A37R6-H10 WeakPolarHBondContact O-CB 3.36Å; R6-H10 PolarHBondContact O-N 3.28Å; H10-Q12 VanDerWaalsContact C-N 3.32Å; H10-Q12 PolarHBondContact O-N 2.84Å; H10-L13 PolarHBondContact O-N 2.92Å; H10-L13 VanDerWaalsContact O-N 3.12Å; H10-E14 IonicContact CE1-OE1 3.98Å; H10-E14 PolarHBondContact CE1-OE1 2.99Å; H10-E14 IonicContact ND1-OE1 3.58Å; H10-E14 IonicContact NE2-OE1 3.19Å; H10-E14 WeakPolarHBondContact O-CG 3.47Å; H10-E14 PolarHBondContact O-N 3.11Å; H10-A33 VanDerWaalsContact CD2-C 3.49Å; H10-Q34 VanDerWaalsContact CD2-CA 3.43Å; H10-Q34 WeakPolarHBondContact CD2-CA 3.47Å; H10-Q34 PolarHBondContact CD2-N 3.19Å; H10-A37 HydrophobicContact CB-CB 3.84Å
11H97.5Very high89.1Confident117 Ų11790.4 Ų90.454%0.54245%0.45SS..Hα-helixtrans-62.8-36.3-178-174.653.8000113.5K7 K8 L9 E14K7-H11 WeakPolarHBondContact O-CB 3.36Å; K7-H11 PolarHBondContact O-N 2.79Å; K7-H11 VanDerWaalsContact O-N 3.12Å; K8-H11 PolarHBondContact O-N 3.36Å; L9-H11 VanDerWaalsContact C-N 3.31Å; L9-H11 PolarHBondContact O-N 3.48Å; H11-E14 IonicContact CE1-OE2 3.02Å; H11-E14 IonicContact CG-OE2 3.84Å; H11-E14 IonicContact ND1-OE2 3.92Å; H11-E14 PolarHBondContact ND1-OE2 3.42Å; H11-E14 PolarHBondContact O-N 2.91Å
12Q97.8Very high91.4Very high77 Ų7781.5 Ų81.536%0.3641%0.408SS..Hα-helixtrans-68.2-40174.2-71.7178.6-57.900111.5K8 L9 H10 E14 N15 L71K8-Q12 WeakPolarHBondContact O-CG 3.24Å; K8-Q12 PolarHBondContact O-N 3Å; L9-Q12 PolarHBondContact O-N 3.4Å; H10-Q12 VanDerWaalsContact C-N 3.32Å; H10-Q12 PolarHBondContact O-N 2.84Å; Q12-E14 VanDerWaalsContact C-N 3.27Å; Q12-E14 PolarHBondContact O-N 3.37Å; Q12-N15 WeakPolarHBondContact O-CB 3.13Å; Q12-N15 PolarHBondContact O-N 2.95Å; Q12-N15 PolarHBondContact O-ND2 2.65Å; Q12-L71 HydrophobicContact CB-CD1 3.85Å
13L98.1Very high93.4Very high0 Ų078.2 Ų78.20%038%0.381CS..Hα-helixtrans-68.8-21.8178.5-69.8178.6000113.5L9 H10 N15 V16 A33 A36 A37 M64 I67 L71L9-L13 HydrophobicContact CD1-CD1 3.98Å; L9-L13 HydrophobicContact CD1-CG 4.14Å; L9-L13 HydrophobicContact CG-CD1 3.96Å; L9-L13 HydrophobicContact CG-CG 4.45Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 2.9Å; H10-L13 PolarHBondContact O-N 2.92Å; H10-L13 VanDerWaalsContact O-N 3.12Å; L13-N15 PolarHBondContact O-N 2.88Å; L13-V16 HydrophobicContact CD2-CG2 4.09Å; L13-V16 WeakPolarHBondContact O-CB 3.46Å; L13-V16 PolarHBondContact O-N 3.32Å; L13-A33 HydrophobicContact CB-CB 3.72Å; L13-A36 HydrophobicContact CD1-CB 3.83Å; L13-A37 HydrophobicContact CD1-CB 4.31Å; L13-M64 HydrophobicContact CB-SD 3.88Å; L13-M64 HydrophobicContact CD1-SD 4.46Å; L13-M64 HydrophobicContact CD2-SD 4Å; L13-M64 HydrophobicContact CG-SD 4.33Å; L13-I67 HydrophobicContact CD2-CB 4.44Å; L13-I67 HydrophobicContact CD2-CG2 3.98Å; L13-L71 HydrophobicContact CD2-CD1 4.37Å
14E97.3Very high94.1Very high110 Ų11076.1 Ų76.151%0.51437%0.365SS..THydrogen-bonded Turntrans-60.8-21.9171.8-71.6177.7136.300112.8H10 H11 Q12 V16 A33H10-E14 IonicContact CE1-OE1 3.98Å; H10-E14 PolarHBondContact CE1-OE1 2.99Å; H10-E14 IonicContact ND1-OE1 3.58Å; H10-E14 IonicContact NE2-OE1 3.19Å; H10-E14 WeakPolarHBondContact O-CG 3.47Å; H10-E14 PolarHBondContact O-N 3.11Å; H11-E14 IonicContact CE1-OE2 3.02Å; H11-E14 IonicContact CG-OE2 3.84Å; H11-E14 IonicContact ND1-OE2 3.92Å; H11-E14 PolarHBondContact ND1-OE2 3.42Å; H11-E14 PolarHBondContact O-N 2.91Å; Q12-E14 VanDerWaalsContact C-N 3.27Å; Q12-E14 PolarHBondContact O-N 3.37Å; E14-V16 VanDerWaalsContact C-N 3.34Å; E14-A33 HydrophobicContact CG-CB 4.17Å
15N97.2Very high94.3Very high90 Ų9080.5 Ų80.548%0.48139%0.385SS..THydrogen-bonded Turntrans-80.3-14.1176.3-61.8-48.2000113.4Q12 L13 K17Q12-N15 WeakPolarHBondContact O-CB 3.13Å; Q12-N15 PolarHBondContact O-N 2.95Å; Q12-N15 PolarHBondContact O-ND2 2.65Å; L13-N15 PolarHBondContact O-N 2.88Å; N15-K17 PolarHBondContact O-N 3.18Å
16V98.2Very high94.3Very high10 Ų1081.2 Ų81.26%0.06138%0.382CS..SBendtrans-76.1113-179.4-177.40000109L13 E14 M64 I67 N93L13-V16 HydrophobicContact CD2-CG2 4.09Å; L13-V16 WeakPolarHBondContact O-CB 3.46Å; L13-V16 PolarHBondContact O-N 3.32Å; E14-V16 VanDerWaalsContact C-N 3.34Å; V16-M64 HydrophobicContact CB-CE 3.8Å; V16-M64 HydrophobicContact CB-SD 4.05Å; V16-M64 HydrophobicContact CG1-CB 4.48Å; V16-M64 HydrophobicContact CG1-CE 4.01Å; V16-M64 HydrophobicContact CG1-SD 4.32Å; V16-M64 HydrophobicContact CG2-SD 4.4Å; V16-I67 HydrophobicContact CG1-CD1 4.1Å; V16-I67 HydrophobicContact CG2-CB 4.43Å; V16-I67 HydrophobicContact CG2-CD1 3.81Å; V16-I67 HydrophobicContact CG2-CG2 4.07Å; V16-N93 HydrophobicContact CG1-CB 4.26Å; V16-N93 WeakPolarHBondContact CG1-ND2 3.39Å
17K97.3Very high94.1Very high115 Ų11575.5 Ų75.550%0.536%0.36SS..  trans-73.1144.6-179.2-62.7175-176.7164.10110.9N15 T62 N93N15-K17 PolarHBondContact O-N 3.18Å; K17-T62 WeakPolarHBondContact O-CB 3.47Å; K17-T62 PolarHBondContact O-OG1 3.45Å; K17-N93 WeakPolarHBondContact CB-OD1 3.46Å; K17-N93 PolarHBondContact N-ND2 3.34Å; K17-N93 PolarHBondContact N-OD1 3.47Å; K17-N93 PolarHBondContact O-ND2 3.06Å
18T95.1Very high93.9Very high67 Ų6767.6 Ų67.641%0.41133%0.326SS..  trans-81.9-178.9175-163.20000112Q20 C30T18-Q20 PolarHBondContact O-N 3.28Å; T18-C30 WeakPolarHBondContact OG1-CB 3.39Å
19F92.8Very high93.4Very high22 Ų2263.4 Ų63.410%0.09631%0.307CS..  trans-58.9129.1176.3-56.9-85.6000111P22 Q28 C30 T62 A86F19-P22 HydrophobicContact CB-CB 3.94Å; F19-P22 HydrophobicContact CG-CB 4.4Å; F19-Q28 HydrophobicContact CD1-CB 4.27Å; F19-Q28 HydrophobicContact CD1-CG 4.27Å; F19-Q28 HydrophobicContact CD2-CB 4.14Å; F19-Q28 HydrophobicContact CE1-CB 4.03Å; F19-Q28 HydrophobicContact CE1-CG 3.74Å; F19-Q28 HydrophobicContact CE2-CB 3.91Å; F19-Q28 HydrophobicContact CE2-CG 4.39Å; F19-Q28 HydrophobicContact CG-CB 4.32Å; F19-Q28 HydrophobicContact CZ-CB 3.85Å; F19-Q28 HydrophobicContact CZ-CG 3.81Å; F19-C30 HydrophobicContact CD2-CB 4.04Å; F19-C30 HydrophobicContact CE2-CB 3.89Å; F19-T62 HydrophobicContact CD1-CG2 3.74Å; F19-T62 HydrophobicContact CD2-CG2 4.44Å; F19-T62 HydrophobicContact CE1-CG2 3.95Å; F19-T62 HydrophobicContact CG-CG2 4.01Å; F19-T62 HydrophobicContact CZ-CG2 4.38Å; F19-A86 HydrophobicContact CD1-CB 4.07Å; F19-A86 HydrophobicContact CE1-CB 3.63Å
20Q89.7Confident93Very high148 Ų14864.7 Ų64.769%0.69232%0.316SS*.SBendtrans-70.4-40172.3-63.2-175.8800111.3T18T18-Q20 PolarHBondContact O-N 3.28Å
21N89.1Confident92.8Very high120 Ų12063.2 Ų63.264%0.64231%0.31SS*.SBendtrans-134.575.3-177.8-63.7-61.9000110.4K23N21-K23 PolarHBondContact O-N 2.89Å
22P91.4Very high92.5Very high32 Ų3260.4 Ų60.421%0.20830%0.303CS..  trans-63.1131.9-175.826.2-34.6000111.7F19 Q28 L193 Y194F19-P22 HydrophobicContact CB-CB 3.94Å; F19-P22 HydrophobicContact CG-CB 4.4Å; P22-Q28 HydrophobicContact CB-CB 4.14Å; P22-L193 HydrophobicContact CG-CB 4.41Å; P22-Y194 HydrophobicContact CB-CE1 4.36Å; P22-Y194 HydrophobicContact CG-CE1 4.4Å; P22-Y194 WeakPolarHBondContact O-CE1 3.32Å
23K92.1Very high92.4Very high58 Ų5857.3 Ų57.325%0.25229%0.291SS..  trans-92.8117.8-178.9-61.8179.5-174.3170.50110.1N21 E25 F26 E27 Q28 D83 D85 Y194N21-K23 PolarHBondContact O-N 2.89Å; K23-E25 HydrophobicContact CB-CG 4.3Å; K23-E25 PolarHBondContact O-N 3.15Å; K23-F26 HydrophobicContact CB-CD2 3.88Å; K23-F26 HydrophobicContact CB-CE2 4.5Å; K23-F26 HydrophobicContact CD-CD2 3.98Å; K23-F26 HydrophobicContact CD-CE2 3.86Å; K23-F26 PolarHBondContact O-N 3.39Å; K23-E27 PolarHBondContact O-N 2.95Å; K23-Q28 PolarHBondContact O-N 3.19Å; K23-D83 WeakPolarHBondContact CD-OD2 3.39Å; K23-D83 WeakPolarHBondContact CE-OD2 3.5Å; K23-D83 IonicContact NZ-OD1 2.74Å; K23-D83 PolarHBondContact NZ-OD1 3.45Å; K23-D83 IonicContact NZ-OD2 2.65Å; K23-D83 PolarHBondContact NZ-OD2 2.85Å; K23-D85 WeakPolarHBondContact CE-OD2 3.36Å; K23-D85 IonicContact NZ-OD2 3.53Å; K23-D85 PolarHBondContact NZ-OD2 2.88Å; K23-Y194 PolarHBondContact O-OH 3.27Å
24L87.1Confident92.2Very high65 Ų6561.4 Ų61.434%0.3431%0.31SS..G310 helixtrans-64.3-30.2-177.9-177.863000112.6F26 E27 N135 Y194L24-F26 PolarHBondContact O-N 2.9Å; L24-E27 PolarHBondContact O-N 2.9Å; L24-E27 VanDerWaalsContact O-N 3.14Å; L24-N135 PolarHBondContact O-ND2 3.23Å; L24-Y194 HydrophobicContact CB-CD1 4.14Å; L24-Y194 HydrophobicContact CB-CE1 3.76Å; L24-Y194 HydrophobicContact CD1-CD1 4.18Å; L24-Y194 HydrophobicContact CD1-CD2 3.96Å; L24-Y194 HydrophobicContact CD1-CE1 4.12Å; L24-Y194 HydrophobicContact CD1-CE2 3.89Å; L24-Y194 HydrophobicContact CD1-CG 4.1Å
25E89.8Confident91.9Very high127 Ų12756.9 Ų56.959%0.59329%0.29SS*.G310 helixtrans-63.5-28.5178.964.9-168.9156.400113K23 N138K23-E25 HydrophobicContact CB-CG 4.3Å; K23-E25 PolarHBondContact O-N 3.15Å; E25-N138 PolarHBondContact O-ND2 3.14Å
26F91.4Very high91.9Very high66 Ų6652.6 Ų52.629%0.28927%0.267SS..G310 helixtrans-97.21.6176.4-58.5-39000113.4K23 L24 Q28 I82 D83K23-F26 HydrophobicContact CB-CD2 3.88Å; K23-F26 HydrophobicContact CB-CE2 4.5Å; K23-F26 HydrophobicContact CD-CD2 3.98Å; K23-F26 HydrophobicContact CD-CE2 3.86Å; K23-F26 PolarHBondContact O-N 3.39Å; L24-F26 PolarHBondContact O-N 2.9Å; F26-Q28 VanDerWaalsContact C-N 3.27Å; F26-Q28 HydrophobicContact CB-CG 3.92Å; F26-Q28 PolarHBondContact O-N 2.78Å; F26-I82 HydrophobicContact CD1-CG2 3.94Å; F26-I82 HydrophobicContact CD2-CG2 4.24Å; F26-I82 HydrophobicContact CE1-CD1 4.43Å; F26-I82 HydrophobicContact CE1-CG2 3.92Å; F26-I82 HydrophobicContact CE2-CG2 4.22Å; F26-I82 HydrophobicContact CG-CG2 4.12Å; F26-I82 HydrophobicContact CZ-CG2 4.07Å; F26-D83 HydrophobicContact CD2-CB 4.06Å; F26-D83 HydrophobicContact CE2-CB 4.03Å
27E89.9Confident91.8Very high12 Ų1252.1 Ų52.16%0.05626%0.264CS..THydrogen-bonded Turntrans51.244.8-175.4-60.4177.4-133.900112.4K23 L24 Y29 P131 F132 G133 T134 N138K23-E27 PolarHBondContact O-N 2.95Å; L24-E27 PolarHBondContact O-N 2.9Å; L24-E27 VanDerWaalsContact O-N 3.14Å; E27-Y29 VanDerWaalsContact C-N 3.31Å; E27-Y29 HydrophobicContact CB-CD2 4.3Å; E27-Y29 HydrophobicContact CB-CE2 4.16Å; E27-Y29 WeakPolarHBondContact O-CD2 3.48Å; E27-Y29 PolarHBondContact O-N 3.46Å; E27-P131 HydrophobicContact CB-CB 3.94Å; E27-P131 HydrophobicContact CG-CB 4.45Å; E27-F132 PolarHBondContact OE2-N 3.38Å; E27-G133 WeakPolarHBondContact OE1-CA 3.35Å; E27-G133 PolarHBondContact OE1-N 2.99Å; E27-G133 PolarHBondContact OE2-N 3.08Å; E27-T134 VanDerWaalsContact CD-OG1 3.27Å; E27-T134 PolarHBondContact OE1-N 3.26Å; E27-T134 VanDerWaalsContact OE1-N 3.1Å; E27-T134 PolarHBondContact OE2-N 2.83Å; E27-T134 PolarHBondContact OE2-OG1 3.3Å; E27-N138 WeakPolarHBondContact OE1-CB 3.05Å; E27-N138 PolarHBondContact OE1-ND2 2.95Å
28Q90.3Very high91.5Very high10 Ų1049.1 Ų49.15%0.04725%0.253CS..  trans-70.777.9-176.3-80.1175.7-23.800113.5F19 P22 K23 F26 D83F19-Q28 HydrophobicContact CD1-CB 4.27Å; F19-Q28 HydrophobicContact CD1-CG 4.27Å; F19-Q28 HydrophobicContact CD2-CB 4.14Å; F19-Q28 HydrophobicContact CE1-CB 4.03Å; F19-Q28 HydrophobicContact CE1-CG 3.74Å; F19-Q28 HydrophobicContact CE2-CB 3.91Å; F19-Q28 HydrophobicContact CE2-CG 4.39Å; F19-Q28 HydrophobicContact CG-CB 4.32Å; F19-Q28 HydrophobicContact CZ-CB 3.85Å; F19-Q28 HydrophobicContact CZ-CG 3.81Å; P22-Q28 HydrophobicContact CB-CB 4.14Å; K23-Q28 PolarHBondContact O-N 3.19Å; F26-Q28 VanDerWaalsContact C-N 3.27Å; F26-Q28 HydrophobicContact CB-CG 3.92Å; F26-Q28 PolarHBondContact O-N 2.78Å; Q28-D83 VanDerWaalsContact NE2-CB 3.27Å; Q28-D83 PolarHBondContact NE2-OD2 3.5Å; Q28-D83 PolarHBondContact OE1-OD2 2.84Å
29Y86.8Confident91.6Very high46 Ų4646.3 Ų46.318%0.1824%0.236CC..  trans-103114.1169.3-58.3-82.5000109.5E27 L190 L193 Y194E27-Y29 VanDerWaalsContact C-N 3.31Å; E27-Y29 HydrophobicContact CB-CD2 4.3Å; E27-Y29 HydrophobicContact CB-CE2 4.16Å; E27-Y29 WeakPolarHBondContact O-CD2 3.48Å; E27-Y29 PolarHBondContact O-N 3.46Å; Y29-L190 HydrophobicContact CD1-CD1 4.18Å; Y29-L190 HydrophobicContact CD1-CD2 3.61Å; Y29-L190 HydrophobicContact CD1-CG 4.41Å; Y29-L190 HydrophobicContact CE1-CD1 4.05Å; Y29-L190 HydrophobicContact CE1-CD2 4.29Å; Y29-L190 HydrophobicContact CG-CD2 3.76Å; Y29-L193 HydrophobicContact CD1-CD1 4.03Å; Y29-Y194 HydrophobicContact CD1-CE2 4.15Å; Y29-Y194 AromaticContact CE1-CD2 3.76Å; Y29-Y194 HydrophobicContact CE1-CD2 3.76Å; Y29-Y194 AromaticContact CE1-CE2 3.39Å; Y29-Y194 HydrophobicContact CE1-CE2 3.39Å; Y29-Y194 HydrophobicContact CE2-CE2 4.18Å; Y29-Y194 AromaticContact CZ-CD2 3.84Å; Y29-Y194 AromaticContact CZ-CE2 3.4Å; Y29-Y194 WeakPolarHBondContact OH-CD2 3.17Å; Y29-Y194 WeakPolarHBondContact OH-CE2 3.46Å
30C88.1Confident91.8Very high27 Ų2745.2 Ų45.218%0.18223%0.231CC..PPolyproline II helixtrans-70.5139.2-179.4-167.90000111.5T18 F19 S32 Y188T18-C30 WeakPolarHBondContact OG1-CB 3.39Å; F19-C30 HydrophobicContact CD2-CB 4.04Å; F19-C30 HydrophobicContact CE2-CB 3.89Å; C30-S32 PolarHBondContact O-N 3.08Å; C30-Y188 PolarHBondContact O-OH 3.24Å
31T92Very high91.9Very high9 Ų940 Ų406%0.05521%0.206CC..PPolyproline II helixtrans-63.3128.8165.9-49.40000109.4V35 A36 M64 L65 N129 Y188T31-V35 HydrophobicContact CG2-CB 3.9Å; T31-V35 HydrophobicContact CG2-CG1 3.68Å; T31-A36 HydrophobicContact CG2-CB 4.04Å; T31-M64 WeakPolarHBondContact O-CE 3.43Å; T31-M64 WeakPolarHBondContact O-CG 3.13Å; T31-L65 HydrophobicContact CG2-CD2 4.12Å; T31-N129 PolarHBondContact OG1-ND2 3.12Å; T31-Y188 WeakPolarHBondContact CA-OH 3.39Å; T31-Y188 HydrophobicContact CG2-CE2 4.39Å; T31-Y188 PolarHBondContact N-OH 3.39Å; T31-Y188 VanDerWaalsContact N-OH 3.15Å
32S91.8Very high92.1Very high57 Ų5737 Ų3740%0.39919%0.19SC..PPolyproline II helixtrans-68152.3175.768.10000110.4C30 Q34 V35 A36C30-S32 PolarHBondContact O-N 3.08Å; S32-Q34 PolarHBondContact O-N 2.76Å; S32-V35 PolarHBondContact O-N 3.03Å; S32-V35 WeakPolarHBondContact OG-CB 3.16Å; S32-V35 VanDerWaalsContact OG-CG2 3.31Å; S32-V35 WeakPolarHBondContact OG-CG2 3.33Å; S32-V35 PolarHBondContact OG-N 2.84Å; S32-A36 WeakPolarHBondContact O-CB 3.43Å; S32-A36 PolarHBondContact O-N 2.92Å
33A95.1Very high92.3Very high13 Ų1335.6 Ų35.611%0.10718%0.181CC..Hα-helixtrans-53.9-38.5175.900000112.1H10 L13 E14 A37 M64H10-A33 VanDerWaalsContact CD2-C 3.49Å; L13-A33 HydrophobicContact CB-CB 3.72Å; E14-A33 HydrophobicContact CG-CB 4.17Å; A33-A37 VanDerWaalsContact O-CB 3.25Å; A33-A37 WeakPolarHBondContact O-CB 3.48Å; A33-A37 PolarHBondContact O-N 3.2Å; A33-M64 HydrophobicContact CB-CE 4.47Å; A33-M64 HydrophobicContact CB-SD 4.33Å
34Q92.9Very high92.5Very high86 Ų8633.5 Ų33.540%0.40217%0.172SC..Hα-helixtrans-64.5-51.3178.5-178.860.846.200111.5H10 S32 A36 A37 D38H10-Q34 VanDerWaalsContact CD2-CA 3.43Å; H10-Q34 WeakPolarHBondContact CD2-CA 3.47Å; H10-Q34 PolarHBondContact CD2-N 3.19Å; S32-Q34 PolarHBondContact O-N 2.76Å; Q34-A36 VanDerWaalsContact C-N 3.34Å; Q34-A36 PolarHBondContact O-N 3.46Å; Q34-A37 PolarHBondContact O-N 2.94Å; Q34-D38 PolarHBondContact NE2-OD1 2.74Å; Q34-D38 VanDerWaalsContact NE2-OD1 3.14Å; Q34-D38 PolarHBondContact NE2-OD2 2.85Å; Q34-D38 WeakPolarHBondContact O-CB 3.42Å; Q34-D38 PolarHBondContact O-N 2.92Å
35V92.5Very high92.6Very high15 Ų1535.6 Ų35.69%0.09118%0.181CC..Hα-helixtrans-62.2-45.1178.41720000110.2T31 S32 A37 D38 I39 L186 Y188T31-V35 HydrophobicContact CG2-CB 3.9Å; T31-V35 HydrophobicContact CG2-CG1 3.68Å; S32-V35 PolarHBondContact O-N 3.03Å; S32-V35 WeakPolarHBondContact OG-CB 3.16Å; S32-V35 VanDerWaalsContact OG-CG2 3.31Å; S32-V35 WeakPolarHBondContact OG-CG2 3.33Å; S32-V35 PolarHBondContact OG-N 2.84Å; V35-A37 PolarHBondContact O-N 3.23Å; V35-D38 PolarHBondContact O-N 3.3Å; V35-I39 HydrophobicContact CG1-CG2 4.2Å; V35-I39 WeakPolarHBondContact O-CG2 3.44Å; V35-I39 PolarHBondContact O-N 2.72Å; V35-L186 HydrophobicContact CG1-CD1 4.16Å; V35-Y188 HydrophobicContact CG1-CD2 4.37Å; V35-Y188 HydrophobicContact CG1-CE2 4.23Å
36A96.5Very high92.7Very high0 Ų033.3 Ų33.30%018%0.176CC..Hα-helixtrans-57.5-48.5176.900000111.8L13 T31 S32 Q34 D38 I39 L40 M64 L65L13-A36 HydrophobicContact CD1-CB 3.83Å; T31-A36 HydrophobicContact CG2-CB 4.04Å; S32-A36 WeakPolarHBondContact O-CB 3.43Å; S32-A36 PolarHBondContact O-N 2.92Å; Q34-A36 VanDerWaalsContact C-N 3.34Å; Q34-A36 PolarHBondContact O-N 3.46Å; A36-D38 PolarHBondContact O-N 2.97Å; A36-I39 WeakPolarHBondContact O-CG1 3.48Å; A36-L40 VanDerWaalsContact O-CB 3.23Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 WeakPolarHBondContact O-CD1 3.44Å; A36-L40 WeakPolarHBondContact O-CG 3.37Å; A36-L40 PolarHBondContact O-N 3.48Å; A36-M64 HydrophobicContact CB-CG 3.64Å; A36-M64 HydrophobicContact CB-SD 4.23Å; A36-L65 HydrophobicContact CB-CD2 3.68Å
37A95.7Very high92.9Very high0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-63.3-40.2177.900000112.4L9 H10 L13 A33 Q34 V35 F41L9-A37 HydrophobicContact CD2-CB 4.13Å; L9-A37 HydrophobicContact CG-CB 4.12Å; H10-A37 HydrophobicContact CB-CB 3.84Å; L13-A37 HydrophobicContact CD1-CB 4.31Å; A33-A37 VanDerWaalsContact O-CB 3.25Å; A33-A37 WeakPolarHBondContact O-CB 3.48Å; A33-A37 PolarHBondContact O-N 3.2Å; Q34-A37 PolarHBondContact O-N 2.94Å; V35-A37 PolarHBondContact O-N 3.23Å; A37-F41 WeakPolarHBondContact O-CB 3.25Å; A37-F41 PolarHBondContact O-N 3.34Å
38D92.4Very high93.2Very high52 Ų5235.9 Ų35.928%0.27819%0.193SC..Hα-helixtrans-66.8-47.1179.1-74-26.6000111.9R6 Q34 V35 A36 N42R6-D38 WeakPolarHBondContact CD-OD1 3.48Å; R6-D38 IonicContact NE-OD1 3.98Å; Q34-D38 PolarHBondContact NE2-OD1 2.74Å; Q34-D38 VanDerWaalsContact NE2-OD1 3.14Å; Q34-D38 PolarHBondContact NE2-OD2 2.85Å; Q34-D38 WeakPolarHBondContact O-CB 3.42Å; Q34-D38 PolarHBondContact O-N 2.92Å; V35-D38 PolarHBondContact O-N 3.3Å; A36-D38 PolarHBondContact O-N 2.97Å; D38-N42 VanDerWaalsContact O-CB 3.29Å; D38-N42 WeakPolarHBondContact O-CB 3.45Å; D38-N42 PolarHBondContact O-N 3.43Å
39I95.3Very high93.6Very high7 Ų735.5 Ų35.54%0.03619%0.191CC..Hα-helixtrans-67.7-47.4-179.672.9177.7000111V35 A36 F41 N42 I43 L65 L160 L186 L208V35-I39 HydrophobicContact CG1-CG2 4.2Å; V35-I39 WeakPolarHBondContact O-CG2 3.44Å; V35-I39 PolarHBondContact O-N 2.72Å; A36-I39 WeakPolarHBondContact O-CG1 3.48Å; I39-F41 PolarHBondContact O-N 2.98Å; I39-N42 PolarHBondContact O-N 3.36Å; I39-I43 WeakPolarHBondContact O-CG1 3.38Å; I39-I43 PolarHBondContact O-N 2.85Å; I39-L65 HydrophobicContact CD1-CD1 4.25Å; I39-L65 HydrophobicContact CD1-CD2 3.7Å; I39-L65 HydrophobicContact CG1-CD2 4.31Å; I39-L160 HydrophobicContact CD1-CD1 4.38Å; I39-L186 HydrophobicContact CG2-CD1 3.64Å; I39-L208 HydrophobicContact CB-CD2 3.97Å; I39-L208 HydrophobicContact CG2-CD2 4.08Å
40L97.9Very high94.1Very high0 Ų033.3 Ų33.30%018%0.183CC..Hα-helixtrans-68.6-38.6-174.5-68171000111.2L9 A36 N42 I43 Q44 L50 L65 A69 L72 I127L9-L40 HydrophobicContact CD2-CB 4.41Å; A36-L40 VanDerWaalsContact O-CB 3.23Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 WeakPolarHBondContact O-CD1 3.44Å; A36-L40 WeakPolarHBondContact O-CG 3.37Å; A36-L40 PolarHBondContact O-N 3.48Å; L40-N42 VanDerWaalsContact C-N 3.35Å; L40-I43 PolarHBondContact O-N 2.64Å; L40-Q44 WeakPolarHBondContact O-CB 3.33Å; L40-Q44 PolarHBondContact O-N 3.49Å; L40-L50 HydrophobicContact CB-CD1 4.13Å; L40-L50 HydrophobicContact CD2-CD1 3.91Å; L40-L65 HydrophobicContact CD1-CD2 4.32Å; L40-L65 HydrophobicContact CG-CD2 4.44Å; L40-A69 HydrophobicContact CD2-CB 4.47Å; L40-L72 HydrophobicContact CB-CD1 3.6Å; L40-I127 HydrophobicContact CD2-CD1 4.09Å
41F92.8Very high94.6Very high38 Ų3836.8 Ų36.817%0.16720%0.197CC..Hα-helixtrans-68-35.8175.1-162-91.6000111.8L4 R6 A37 I39 M45 L72L4-F41 WeakPolarHBondContact O-CE2 3.41Å; R6-F41 HydrophobicContact CB-CB 4.32Å; R6-F41 HydrophobicContact CB-CD1 3.95Å; R6-F41 HydrophobicContact CB-CD2 3.72Å; R6-F41 HydrophobicContact CB-CE1 4.1Å; R6-F41 HydrophobicContact CB-CE2 3.9Å; R6-F41 HydrophobicContact CB-CG 3.73Å; R6-F41 HydrophobicContact CB-CZ 4.06Å; R6-F41 HydrophobicContact CG-CB 4.02Å; R6-F41 HydrophobicContact CG-CD1 4.3Å; R6-F41 HydrophobicContact CG-CD2 4.33Å; R6-F41 HydrophobicContact CG-CG 3.97Å; A37-F41 WeakPolarHBondContact O-CB 3.25Å; A37-F41 PolarHBondContact O-N 3.34Å; I39-F41 PolarHBondContact O-N 2.98Å; F41-M45 HydrophobicContact CD1-CG 3.79Å; F41-M45 HydrophobicContact CE1-CE 3.68Å; F41-M45 HydrophobicContact CE1-CG 3.6Å; F41-M45 HydrophobicContact CE1-SD 4.38Å; F41-M45 HydrophobicContact CE2-CE 3.76Å; F41-M45 HydrophobicContact CZ-CE 3.25Å; F41-M45 HydrophobicContact CZ-CG 4.18Å; F41-M45 HydrophobicContact CZ-SD 4.49Å; F41-M45 VanDerWaalsContact O-CB 3.31Å; F41-M45 WeakPolarHBondContact O-CB 3.39Å; F41-M45 WeakPolarHBondContact O-CG 3.27Å; F41-M45 PolarHBondContact O-N 3.49Å; F41-L72 HydrophobicContact CD2-CD2 4.42Å
42N92Very high94.9Very high58 Ų5838.7 Ų38.731%0.3122%0.217SC..Hα-helixtrans-66.1-44.5173.8179.8-102.1000112.2D38 I39 L40 Q44 M45 T46D38-N42 VanDerWaalsContact O-CB 3.29Å; D38-N42 WeakPolarHBondContact O-CB 3.45Å; D38-N42 PolarHBondContact O-N 3.43Å; I39-N42 PolarHBondContact O-N 3.36Å; L40-N42 VanDerWaalsContact C-N 3.35Å; N42-Q44 VanDerWaalsContact C-N 3.33Å; N42-Q44 PolarHBondContact O-N 3.36Å; N42-M45 PolarHBondContact O-N 2.91Å; N42-T46 PolarHBondContact ND2-OG1 2.92Å; N42-T46 VanDerWaalsContact O-CB 3.25Å; N42-T46 WeakPolarHBondContact O-CB 3.14Å; N42-T46 PolarHBondContact O-N 3.12Å; N42-T46 PolarHBondContact O-OG1 3.26Å
43I96.1Very high95.2Very high1 Ų138.1 Ų38.11%0.00521%0.209CC..Hα-helixtrans-55.4-49.8174.6-70166.6000110.1I39 L40 D47 N48 A49 L50 I127 Y158I39-I43 WeakPolarHBondContact O-CG1 3.38Å; I39-I43 PolarHBondContact O-N 2.85Å; L40-I43 PolarHBondContact O-N 2.64Å; I43-D47 PolarHBondContact O-N 3.41Å; I43-D47 VanDerWaalsContact O-N 3.08Å; I43-N48 PolarHBondContact O-N 2.92Å; I43-A49 HydrophobicContact CG2-CB 3.84Å; I43-L50 HydrophobicContact CB-CD1 4.48Å; I43-L50 HydrophobicContact CG2-CD1 4.2Å; I43-L50 HydrophobicContact CG2-CD2 4.2Å; I43-L50 HydrophobicContact CG2-CG 3.88Å; I43-I127 HydrophobicContact CD1-CG2 4.42Å; I43-Y158 HydrophobicContact CB-CE1 4.45Å; I43-Y158 HydrophobicContact CB-CE2 4.45Å; I43-Y158 HydrophobicContact CD1-CD1 3.9Å; I43-Y158 HydrophobicContact CD1-CD2 3.9Å; I43-Y158 HydrophobicContact CD1-CE1 4.49Å; I43-Y158 HydrophobicContact CD1-CE2 4.49Å; I43-Y158 HydrophobicContact CD1-CG 3.56Å; I43-Y158 HydrophobicContact CG1-CD1 3.59Å; I43-Y158 HydrophobicContact CG1-CD2 4.06Å; I43-Y158 HydrophobicContact CG1-CE1 3.75Å; I43-Y158 HydrophobicContact CG1-CE2 4.21Å; I43-Y158 HydrophobicContact CG1-CG 3.74Å; I43-Y158 HydrophobicContact CG2-CD2 3.92Å; I43-Y158 HydrophobicContact CG2-CE1 4.27Å; I43-Y158 HydrophobicContact CG2-CE2 3.49Å; I43-Y158 VanDerWaalsContact CG2-CE2 3.49Å; I43-Y158 HydrophobicContact CG2-CG 4.46Å
44Q95.3Very high95.4Very high15 Ų1538.5 Ų38.57%0.0721%0.211CC..Hα-helixtrans-67-40.6-178.1-178.854.315.700112.5L40 N42 N48 L50 E51 L72L40-Q44 WeakPolarHBondContact O-CB 3.33Å; L40-Q44 PolarHBondContact O-N 3.49Å; N42-Q44 VanDerWaalsContact C-N 3.33Å; N42-Q44 PolarHBondContact O-N 3.36Å; Q44-N48 PolarHBondContact NE2-OD1 2.83Å; Q44-N48 VanDerWaalsContact O-CA 3.26Å; Q44-N48 WeakPolarHBondContact O-CA 3.4Å; Q44-N48 PolarHBondContact O-N 3.44Å; Q44-N48 VanDerWaalsContact O-N 3.1Å; Q44-L50 HydrophobicContact CB-CD1 4.28Å; Q44-L50 VanDerWaalsContact OE1-N 3.09Å; Q44-E51 PolarHBondContact NE2-OE2 3.37Å; Q44-L72 HydrophobicContact CB-CD1 4.35Å
45M91.3Very high95.7Very high109 Ų10934.4 Ų34.454%0.53719%0.192SC..Hα-helixtrans-76.3-27.8-178.1-71.3-63.8170.900114T3 F41 N42T3-M45 HydrophobicContact CG2-CE 4.49Å; F41-M45 HydrophobicContact CD1-CG 3.79Å; F41-M45 HydrophobicContact CE1-CE 3.68Å; F41-M45 HydrophobicContact CE1-CG 3.6Å; F41-M45 HydrophobicContact CE1-SD 4.38Å; F41-M45 HydrophobicContact CE2-CE 3.76Å; F41-M45 HydrophobicContact CZ-CE 3.25Å; F41-M45 HydrophobicContact CZ-CG 4.18Å; F41-M45 HydrophobicContact CZ-SD 4.49Å; F41-M45 VanDerWaalsContact O-CB 3.31Å; F41-M45 WeakPolarHBondContact O-CB 3.39Å; F41-M45 WeakPolarHBondContact O-CG 3.27Å; F41-M45 PolarHBondContact O-N 3.49Å; N42-M45 PolarHBondContact O-N 2.91Å
46T91.6Very high96Very high78 Ų7833.7 Ų33.748%0.47919%0.187SC..Hα-helixtrans-88.1-44.5-176.1-51.70000111.3N42N42-T46 PolarHBondContact ND2-OG1 2.92Å; N42-T46 VanDerWaalsContact O-CB 3.25Å; N42-T46 WeakPolarHBondContact O-CB 3.14Å; N42-T46 PolarHBondContact O-N 3.12Å; N42-T46 PolarHBondContact O-OG1 3.26Å
47D94.9Very high96.1Very high49 Ų4933.8 Ų33.826%0.26219%0.188SC..Hα-helixtrans-124.1-4.7-166.8-58-72.4000113I43 A49 Y158 H210I43-D47 PolarHBondContact O-N 3.41Å; I43-D47 VanDerWaalsContact O-N 3.08Å; D47-A49 HydrophobicContact CB-CB 4.09Å; D47-A49 PolarHBondContact O-N 3.45Å; D47-Y158 WeakPolarHBondContact CB-OH 3.42Å; D47-Y158 PolarHBondContact OD2-OH 2.88Å; D47-H210 IonicContact OD1-CE1 3.8Å; D47-H210 IonicContact OD2-CE1 3.9Å
48N96.2Very high96.2Very high84 Ų8433.8 Ų33.845%0.44919%0.188SC..  trans50.537.8-174.2-168.156.1000112.4I43 Q44 L50I43-N48 PolarHBondContact O-N 2.92Å; Q44-N48 PolarHBondContact NE2-OD1 2.83Å; Q44-N48 VanDerWaalsContact O-CA 3.26Å; Q44-N48 WeakPolarHBondContact O-CA 3.4Å; Q44-N48 PolarHBondContact O-N 3.44Å; Q44-N48 VanDerWaalsContact O-N 3.1Å; N48-L50 PolarHBondContact O-N 2.84Å
49A98.1Very high96.5Very high1 Ų132.4 Ų32.41%0.00819%0.186CC..  trans-90.36.7-168.100000114.1I43 D47 M53 T125 H156 Y158I43-A49 HydrophobicContact CG2-CB 3.84Å; D47-A49 HydrophobicContact CB-CB 4.09Å; D47-A49 PolarHBondContact O-N 3.45Å; A49-M53 WeakPolarHBondContact O-CG 3.29Å; A49-T125 HydrophobicContact CB-CG2 4.48Å; A49-T125 WeakPolarHBondContact O-CB 3.2Å; A49-T125 PolarHBondContact O-OG1 3.33Å; A49-H156 HydrophobicContact CB-CB 4.42Å; A49-H156 VanDerWaalsContact CB-CD2 3.49Å; A49-H156 WeakPolarHBondContact CB-CD2 3.41Å; A49-Y158 HydrophobicContact CB-CE2 3.81Å
50L98.6Very high96.7Very high0 Ų032.5 Ų32.50%019%0.187CC..SBendtrans-117.1-54.7178.2-58.2176.4000111.9L40 I43 Q44 N48 G52 M53 V55 A69 L72 A74 T125L40-L50 HydrophobicContact CB-CD1 4.13Å; L40-L50 HydrophobicContact CD2-CD1 3.91Å; I43-L50 HydrophobicContact CB-CD1 4.48Å; I43-L50 HydrophobicContact CG2-CD1 4.2Å; I43-L50 HydrophobicContact CG2-CD2 4.2Å; I43-L50 HydrophobicContact CG2-CG 3.88Å; Q44-L50 HydrophobicContact CB-CD1 4.28Å; Q44-L50 VanDerWaalsContact OE1-N 3.09Å; N48-L50 PolarHBondContact O-N 2.84Å; L50-G52 PolarHBondContact O-N 2.74Å; L50-M53 WeakPolarHBondContact O-CB 3.16Å; L50-M53 PolarHBondContact O-N 3.1Å; L50-V55 HydrophobicContact CD2-CG2 4.07Å; L50-A69 HydrophobicContact CD2-CB 4.21Å; L50-L72 HydrophobicContact CB-CB 4.48Å; L50-L72 HydrophobicContact CD1-CB 4.22Å; L50-L72 HydrophobicContact CD1-CD1 3.62Å; L50-A74 WeakPolarHBondContact O-CA 3.3Å; L50-T125 HydrophobicContact CD2-CG2 4.47Å
51E97.9Very high96.7Very high101 Ų10132.8 Ų32.847%0.47219%0.19SC..THydrogen-bonded Turntrans-60.4122.6-174.5-173.1172.6-169.200112Q44 M53 G73Q44-E51 PolarHBondContact NE2-OE2 3.37Å; E51-M53 PolarHBondContact O-N 3.3Å; E51-G73 WeakPolarHBondContact CA-O 3.33Å
52G98.1Very high96.9Very high48 Ų4831 Ų3150%0.49518%0.182SC..THydrogen-bonded Turntrans76.2-7.1-176.100000115.2L50 G73 S75L50-G52 PolarHBondContact O-N 2.74Å; G52-G73 PolarHBondContact N-O 2.78Å; G52-S75 WeakPolarHBondContact O-CB 3.19Å; G52-S75 PolarHBondContact O-OG 3.23Å
53M98.6Very high97.2Very high46 Ų4628.2 Ų28.223%0.22717%0.168CC..  trans-85.7147.2-175.7-59.5-60141.600111.9A49 L50 E51 V55 S75 D124A49-M53 WeakPolarHBondContact O-CG 3.29Å; L50-M53 WeakPolarHBondContact O-CB 3.16Å; L50-M53 PolarHBondContact O-N 3.1Å; E51-M53 PolarHBondContact O-N 3.3Å; M53-V55 HydrophobicContact CB-CG2 4.45Å; M53-S75 PolarHBondContact O-N 2.97Å; M53-S75 PolarHBondContact O-OG 2.74Å; M53-S75 VanDerWaalsContact O-OG 3.06Å; M53-D124 HydrophobicContact CB-CB 4.04Å; M53-D124 HydrophobicContact CG-CB 4.43Å; M53-D124 HydrophobicContact SD-CB 3.93Å
54S98.9Very high97.3Very high20 Ų2028.8 Ų28.814%0.1417%0.17CC..EExtended strand (participates in β ladder)trans-76.7125.6163.258.40000109.6S75 C76 V123 D124 T125S54-S75 PolarHBondContact N-OG 3.36Å; S54-C76 VanDerWaalsContact CB-SG 3.52Å; S54-V123 WeakPolarHBondContact OG-CA 3.32Å; S54-D124 PolarHBondContact N-OD2 3.35Å; S54-D124 PolarHBondContact O-N 3.45Å; S54-D124 VanDerWaalsContact O-N 3.09Å; S54-D124 VanDerWaalsContact OG-CG 3.27Å; S54-D124 PolarHBondContact OG-N 3.41Å; S54-D124 PolarHBondContact OG-OD2 3.12Å; S54-T125 PolarHBondContact O-N 3.15Å
55V98.9Very high97.5Very high0 Ų028.4 Ų28.40%017%0.169CC..EExtended strand (participates in β ladder)trans-119.6135.2-173.4-179.50000110.7L50 M53 A69 A74 C76 V77 L78 T125 I127L50-V55 HydrophobicContact CD2-CG2 4.07Å; M53-V55 HydrophobicContact CB-CG2 4.45Å; V55-A69 HydrophobicContact CG1-CB 4.27Å; V55-A74 HydrophobicContact CB-CB 4.47Å; V55-A74 HydrophobicContact CG2-CB 3.78Å; V55-C76 PolarHBondContact N-O 2.97Å; V55-V77 HydrophobicContact CB-CG2 4.35Å; V55-V77 CarbonylContact O-C 3.58Å; V55-V77 VanDerWaalsContact O-CA 3.29Å; V55-V77 WeakPolarHBondContact O-CA 3.38Å; V55-L78 PolarHBondContact O-N 3.05Å; V55-T125 CarbonylContact C-O 3.59Å; V55-T125 VanDerWaalsContact CA-O 3.25Å; V55-T125 WeakPolarHBondContact CA-O 3.15Å; V55-I127 HydrophobicContact CG1-CD1 3.95Å; V55-I127 HydrophobicContact CG1-CG1 4.09Å
56A98.9Very high97.9Very high0 Ų023.2 Ų23.20%014%0.143CC..EExtended strand (participates in β ladder)trans-109.4143.4163.500000111.5L78 F80 V123 T125 V126 I127 I152A56-L78 CarbonylContact C-O 3.42Å; A56-L78 VanDerWaalsContact CA-O 3.27Å; A56-L78 WeakPolarHBondContact CA-O 3.46Å; A56-F80 HydrophobicContact CB-CE2 4.06Å; A56-V123 HydrophobicContact CB-CB 4.45Å; A56-V123 HydrophobicContact CB-CG1 4.16Å; A56-V123 HydrophobicContact CB-CG2 3.87Å; A56-T125 PolarHBondContact N-O 3.46Å; A56-V126 HydrophobicContact CB-CG1 4.43Å; A56-V126 HydrophobicContact CB-CG2 4.26Å; A56-V126 CarbonylContact O-C 3.45Å; A56-V126 WeakPolarHBondContact O-CA 3.14Å; A56-I127 PolarHBondContact O-N 2.84Å; A56-I152 HydrophobicContact CB-CD1 4.14Å
57D98.8Very high98.2Very high2 Ų219.6 Ų19.61%0.01112%0.121CC..EExtended strand (participates in β ladder)trans-119.1103.7176.3-172.31.9000109.1C60 S66 L78 F80 I127D57-C60 HydrophobicContact CB-CB 3.81Å; D57-C60 VanDerWaalsContact CG-CB 3.41Å; D57-C60 WeakPolarHBondContact OD2-CB 3.26Å; D57-S66 WeakPolarHBondContact CB-OG 3.47Å; D57-S66 PolarHBondContact OD2-N 2.98Å; D57-S66 PolarHBondContact OD2-OG 2.74Å; D57-L78 PolarHBondContact N-O 3.02Å; D57-F80 PolarHBondContact O-N 3.5Å; D57-I127 WeakPolarHBondContact CA-O 3.31Å; D57-I127 HydrophobicContact CB-CD1 4.47Å; D57-I127 HydrophobicContact CB-CG1 4.04Å
58L98.6Very high98.4Very high0 Ų017.2 Ų17.20%011%0.108CC..EExtended strand (participates in β ladder)trans-89.8119.4-175.9-56.1-167000111F80 V111 F115 V126 I127 L128 F145 A148 A149 I152L58-F80 HydrophobicContact CD2-CB 4.33Å; L58-F80 HydrophobicContact CD2-CD2 3.57Å; L58-F80 HydrophobicContact CD2-CE2 4.22Å; L58-F80 HydrophobicContact CD2-CG 4.23Å; L58-V111 HydrophobicContact CD2-CG1 4.03Å; L58-F115 HydrophobicContact CD2-CE2 4.11Å; L58-V126 HydrophobicContact CD1-CG1 4.19Å; L58-V126 HydrophobicContact CG-CG1 3.83Å; L58-I127 PolarHBondContact N-O 3.05Å; L58-I127 VanDerWaalsContact N-O 3.17Å; L58-L128 HydrophobicContact CB-CB 4.13Å; L58-L128 HydrophobicContact CB-CD1 4.48Å; L58-L128 WeakPolarHBondContact O-CB 3.44Å; L58-F145 HydrophobicContact CB-CD1 4.1Å; L58-F145 HydrophobicContact CB-CE1 4.4Å; L58-A148 HydrophobicContact CD1-CB 4.05Å; L58-A149 HydrophobicContact CD1-CB 3.87Å; L58-I152 HydrophobicContact CD1-CD1 4.42Å; L58-I152 HydrophobicContact CD2-CD1 4.02Å
59G98.1Very high98.5Very high23 Ų2313.2 Ų13.224%0.2379%0.087CC..THydrogen-bonded Turntrans72.547.3-168.800000110.3G61 F80G59-G61 PolarHBondContact O-N 2.75Å; G59-F80 VanDerWaalsContact CA-O 3.31Å; G59-F80 WeakPolarHBondContact CA-O 3.48Å; G59-F80 PolarHBondContact N-O 2.92Å
60C98.5Very high98.5Very high9 Ų914.6 Ų14.66%0.0619%0.092CC..  trans-65.1-14.6-168.964.20000113.8D57 T62 G63 F80 F90D57-C60 HydrophobicContact CB-CB 3.81Å; D57-C60 VanDerWaalsContact CG-CB 3.41Å; D57-C60 WeakPolarHBondContact OD2-CB 3.26Å; C60-T62 PolarHBondContact O-N 2.71Å; C60-G63 PolarHBondContact O-N 2.92Å; C60-F80 PolarHBondContact N-O 3.46Å; C60-F80 VanDerWaalsContact N-O 3.16Å; C60-F90 HydrophobicContact CB-CD2 4.43Å; C60-F90 HydrophobicContact CB-CE2 4.02Å
61G97.8Very high98.5Very high6 Ų616.7 Ų16.76%0.06210%0.103CC..THydrogen-bonded Turntrans55.7-129-178.100000111G59 G63 E81G59-G61 PolarHBondContact O-N 2.75Å; G61-G63 PolarHBondContact O-N 3.1Å; G61-E81 VanDerWaalsContact CA-OE2 3.26Å; G61-E81 WeakPolarHBondContact CA-OE2 3.36Å; G61-E81 PolarHBondContact N-OE2 2.79Å
62T98Very high98.5Very high1 Ų112.6 Ų12.61%0.0069%0.085CC..THydrogen-bonded Turntrans-84.810.6179.3660000114.1K17 F19 C60 Q89 N93K17-T62 WeakPolarHBondContact O-CB 3.47Å; K17-T62 PolarHBondContact O-OG1 3.45Å; F19-T62 HydrophobicContact CD1-CG2 3.74Å; F19-T62 HydrophobicContact CD2-CG2 4.44Å; F19-T62 HydrophobicContact CE1-CG2 3.95Å; F19-T62 HydrophobicContact CG-CG2 4.01Å; F19-T62 HydrophobicContact CZ-CG2 4.38Å; C60-T62 PolarHBondContact O-N 2.71Å; T62-Q89 HydrophobicContact CG2-CB 3.91Å; T62-Q89 HydrophobicContact CG2-CG 3.58Å; T62-N93 PolarHBondContact O-ND2 3.1Å
63G98.6Very high98.4Very high0 Ų011.9 Ų11.90%08%0.077CC..SBendtrans91.115.1170.300000116.4C60 G61 L65 S66 I67C60-G63 PolarHBondContact O-N 2.92Å; G61-G63 PolarHBondContact O-N 3.1Å; G63-L65 PolarHBondContact O-N 3.16Å; G63-S66 PolarHBondContact O-N 2.91Å; G63-I67 VanDerWaalsContact O-CB 3.3Å; G63-I67 WeakPolarHBondContact O-CB 3.12Å; G63-I67 WeakPolarHBondContact O-CG1 3.22Å; G63-I67 PolarHBondContact O-N 3.48Å
64M98.5Very high98.4Very high12 Ų129.7 Ų9.76%0.0597%0.067CC..Hα-helixtrans-54.3-48.9-178.5-177.467.768.700113.2L13 V16 T31 A33 A36 G68L13-M64 HydrophobicContact CB-SD 3.88Å; L13-M64 HydrophobicContact CD1-SD 4.46Å; L13-M64 HydrophobicContact CD2-SD 4Å; L13-M64 HydrophobicContact CG-SD 4.33Å; V16-M64 HydrophobicContact CB-CE 3.8Å; V16-M64 HydrophobicContact CB-SD 4.05Å; V16-M64 HydrophobicContact CG1-CB 4.48Å; V16-M64 HydrophobicContact CG1-CE 4.01Å; V16-M64 HydrophobicContact CG1-SD 4.32Å; V16-M64 HydrophobicContact CG2-SD 4.4Å; T31-M64 WeakPolarHBondContact O-CE 3.43Å; T31-M64 WeakPolarHBondContact O-CG 3.13Å; A33-M64 HydrophobicContact CB-CE 4.47Å; A33-M64 HydrophobicContact CB-SD 4.33Å; A36-M64 HydrophobicContact CB-CG 3.64Å; A36-M64 HydrophobicContact CB-SD 4.23Å; M64-G68 PolarHBondContact O-N 2.97Å
65L98.8Very high98.4Very high8 Ų811.3 Ų11.34%0.0428%0.078CC..Hα-helixtrans-76.3-40.9179.9-63-173.1000111.4T31 A36 I39 L40 G63 G68 A69 I127 N129T31-L65 HydrophobicContact CG2-CD2 4.12Å; A36-L65 HydrophobicContact CB-CD2 3.68Å; I39-L65 HydrophobicContact CD1-CD1 4.25Å; I39-L65 HydrophobicContact CD1-CD2 3.7Å; I39-L65 HydrophobicContact CG1-CD2 4.31Å; L40-L65 HydrophobicContact CD1-CD2 4.32Å; L40-L65 HydrophobicContact CG-CD2 4.44Å; G63-L65 PolarHBondContact O-N 3.16Å; L65-G68 PolarHBondContact O-N 3.38Å; L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 3.41Å; L65-I127 HydrophobicContact CB-CD1 3.76Å; L65-I127 HydrophobicContact CB-CG1 4.41Å; L65-N129 HydrophobicContact CD1-CB 4.49Å
66S98.9Very high98.4Very high0 Ų012.6 Ų12.60%09%0.087CC..Hα-helixtrans-54.5-53.2175.5-67.50000113.3D57 G63 G68 A69 K70 F90D57-S66 WeakPolarHBondContact CB-OG 3.47Å; D57-S66 PolarHBondContact OD2-N 2.98Å; D57-S66 PolarHBondContact OD2-OG 2.74Å; G63-S66 PolarHBondContact O-N 2.91Å; S66-G68 VanDerWaalsContact C-N 3.33Å; S66-G68 PolarHBondContact O-N 3.19Å; S66-A69 PolarHBondContact O-N 3.03Å; S66-K70 PolarHBondContact O-N 2.95Å; S66-K70 VanDerWaalsContact O-N 3.09Å; S66-F90 VanDerWaalsContact CB-CZ 3.48Å; S66-F90 WeakPolarHBondContact OG-CE2 3.31Å
67I98.8Very high98.4Very high1 Ų112.6 Ų12.61%0.0059%0.087CC..Hα-helixtrans-60.8-44.7177.7-72.7168.3000110L13 V16 G63 A69 K70 L71 N93 L94 M99L13-I67 HydrophobicContact CD2-CB 4.44Å; L13-I67 HydrophobicContact CD2-CG2 3.98Å; V16-I67 HydrophobicContact CG1-CD1 4.1Å; V16-I67 HydrophobicContact CG2-CB 4.43Å; V16-I67 HydrophobicContact CG2-CD1 3.81Å; V16-I67 HydrophobicContact CG2-CG2 4.07Å; G63-I67 VanDerWaalsContact O-CB 3.3Å; G63-I67 WeakPolarHBondContact O-CB 3.12Å; G63-I67 WeakPolarHBondContact O-CG1 3.22Å; G63-I67 PolarHBondContact O-N 3.48Å; I67-A69 PolarHBondContact O-N 3.18Å; I67-K70 PolarHBondContact O-N 3.36Å; I67-L71 HydrophobicContact CG2-CD1 3.91Å; I67-L71 HydrophobicContact CG2-CG 4.36Å; I67-L71 WeakPolarHBondContact O-CG 3.49Å; I67-L71 PolarHBondContact O-N 3.38Å; I67-N93 HydrophobicContact CD1-CB 3.93Å; I67-L94 HydrophobicContact CD1-CD2 4.29Å; I67-L94 HydrophobicContact CG1-CD2 3.96Å; I67-M99 HydrophobicContact CG2-SD 3.75Å
68G98.6Very high98.4Very high0 Ų014.7 Ų14.70%010%0.098CC..Hα-helixtrans-63.3-40.117900000113.5M64 L65 S66 K70 L71 L72M64-G68 PolarHBondContact O-N 2.97Å; L65-G68 PolarHBondContact O-N 3.38Å; S66-G68 VanDerWaalsContact C-N 3.33Å; S66-G68 PolarHBondContact O-N 3.19Å; G68-K70 VanDerWaalsContact C-N 3.34Å; G68-L71 PolarHBondContact O-N 3.02Å; G68-L72 PolarHBondContact O-N 3.12Å; G68-L72 VanDerWaalsContact O-N 3.12Å
69A98.8Very high98.4Very high0 Ų014.7 Ų14.70%010%0.098CC..Hα-helixtrans-62.4-42.6175.300000111.1L40 L50 V55 L65 S66 I67 L72 G73 A74 V77 I127L40-A69 HydrophobicContact CD2-CB 4.47Å; L50-A69 HydrophobicContact CD2-CB 4.21Å; V55-A69 HydrophobicContact CG1-CB 4.27Å; L65-A69 WeakPolarHBondContact O-CB 3.38Å; L65-A69 PolarHBondContact O-N 3.41Å; S66-A69 PolarHBondContact O-N 3.03Å; I67-A69 PolarHBondContact O-N 3.18Å; A69-L72 PolarHBondContact O-N 2.98Å; A69-G73 PolarHBondContact O-N 3.01Å; A69-A74 HydrophobicContact CB-CB 4.44Å; A69-A74 WeakPolarHBondContact O-CB 3.46Å; A69-A74 PolarHBondContact O-N 2.96Å; A69-A74 VanDerWaalsContact O-N 3.14Å; A69-V77 HydrophobicContact CB-CG2 4.32Å; A69-I127 HydrophobicContact CB-CD1 4.09Å
70K98.4Very high98.5Very high29 Ų2914.3 Ų14.313%0.1269%0.09CC..Hα-helixtrans-65.5-42.1176-172.966.4-179.7169.60112.6S66 I67 G68 L72 G73 A74 S75 V77 M99 E102 I104S66-K70 PolarHBondContact O-N 2.95Å; S66-K70 VanDerWaalsContact O-N 3.09Å; I67-K70 PolarHBondContact O-N 3.36Å; G68-K70 VanDerWaalsContact C-N 3.34Å; K70-L72 PolarHBondContact O-N 3.45Å; K70-G73 PolarHBondContact O-N 3.06Å; K70-A74 WeakPolarHBondContact CD-O 3.26Å; K70-A74 PolarHBondContact NZ-O 2.85Å; K70-S75 PolarHBondContact NZ-O 3.07Å; K70-V77 HydrophobicContact CB-CG2 4.04Å; K70-V77 HydrophobicContact CD-CG2 4.44Å; K70-M99 HydrophobicContact CB-CE 3.74Å; K70-M99 HydrophobicContact CG-CE 3.46Å; K70-M99 VanDerWaalsContact CG-CE 3.46Å; K70-E102 WeakPolarHBondContact CE-OE2 3.47Å; K70-E102 HydrophobicContact CG-CB 4.35Å; K70-E102 IonicContact NZ-OE2 3.45Å; K70-I104 HydrophobicContact CB-CD1 3.6Å; K70-I104 HydrophobicContact CB-CG1 3.81Å; K70-I104 HydrophobicContact CD-CG1 4.07Å; K70-I104 HydrophobicContact CG-CD1 3.64Å; K70-I104 HydrophobicContact CG-CG1 3.71Å
71L98Very high98.4Very high44 Ų4414.5 Ų14.523%0.239%0.09CC..Hα-helixtrans-61-26.1175.3-73172.2000113.1L4 L9 Q12 L13 I67 G68 G73 M99L4-L71 HydrophobicContact CD2-CB 3.95Å; L4-L71 WeakPolarHBondContact CD2-O 3.32Å; L9-L71 HydrophobicContact CD1-CB 3.87Å; L9-L71 HydrophobicContact CD1-CD1 4Å; Q12-L71 HydrophobicContact CB-CD1 3.85Å; L13-L71 HydrophobicContact CD2-CD1 4.37Å; I67-L71 HydrophobicContact CG2-CD1 3.91Å; I67-L71 HydrophobicContact CG2-CG 4.36Å; I67-L71 WeakPolarHBondContact O-CG 3.49Å; I67-L71 PolarHBondContact O-N 3.38Å; G68-L71 PolarHBondContact O-N 3.02Å; L71-G73 VanDerWaalsContact C-N 3.32Å; L71-M99 HydrophobicContact CD2-CE 4.17Å; L71-M99 HydrophobicContact CD2-SD 4.28Å; L71-M99 HydrophobicContact CG-CE 4.21Å; L71-M99 HydrophobicContact CG-SD 4.36Å
72L97.8Very high98.4Very high15 Ų1517.9 Ų17.98%0.07911%0.105CC..THydrogen-bonded Turntrans-88.76.4173.2-72173.7000114L4 L9 L40 F41 Q44 L50 G68 A69 K70L4-L72 HydrophobicContact CD2-CD2 4.45Å; L9-L72 HydrophobicContact CD1-CG 4.43Å; L9-L72 HydrophobicContact CD2-CD1 3.75Å; L9-L72 HydrophobicContact CD2-CD2 4.1Å; L9-L72 HydrophobicContact CD2-CG 3.94Å; L40-L72 HydrophobicContact CB-CD1 3.6Å; F41-L72 HydrophobicContact CD2-CD2 4.42Å; Q44-L72 HydrophobicContact CB-CD1 4.35Å; L50-L72 HydrophobicContact CB-CB 4.48Å; L50-L72 HydrophobicContact CD1-CB 4.22Å; L50-L72 HydrophobicContact CD1-CD1 3.62Å; G68-L72 PolarHBondContact O-N 3.12Å; G68-L72 VanDerWaalsContact O-N 3.12Å; A69-L72 PolarHBondContact O-N 2.98Å; K70-L72 PolarHBondContact O-N 3.45Å
73G97Very high98.4Very high33 Ų3318.1 Ų18.134%0.3411%0.107SC..THydrogen-bonded Turntrans9816.8169.800000115.3E51 G52 A69 K70 L71 S75E51-G73 WeakPolarHBondContact CA-O 3.33Å; G52-G73 PolarHBondContact N-O 2.78Å; A69-G73 PolarHBondContact O-N 3.01Å; K70-G73 PolarHBondContact O-N 3.06Å; L71-G73 VanDerWaalsContact C-N 3.32Å; G73-S75 PolarHBondContact O-N 3.32Å
74A98.7Very high98.4Very high1 Ų123.9 Ų23.91%0.00813%0.134CC..  trans-50.5136.3168.800000111.1L50 V55 A69 K70 V77L50-A74 WeakPolarHBondContact O-CA 3.3Å; V55-A74 HydrophobicContact CB-CB 4.47Å; V55-A74 HydrophobicContact CG2-CB 3.78Å; A69-A74 HydrophobicContact CB-CB 4.44Å; A69-A74 WeakPolarHBondContact O-CB 3.46Å; A69-A74 PolarHBondContact O-N 2.96Å; A69-A74 VanDerWaalsContact O-N 3.14Å; K70-A74 WeakPolarHBondContact CD-O 3.26Å; K70-A74 PolarHBondContact NZ-O 2.85Å; A74-V77 HydrophobicContact CB-CG2 3.77Å
75S98.4Very high98.3Very high54 Ų5427.5 Ų27.538%0.37815%0.153SC..SBendtrans-69.6-44.7-177.9580000110.3G52 M53 S54 K70 G73G52-S75 WeakPolarHBondContact O-CB 3.19Å; G52-S75 PolarHBondContact O-OG 3.23Å; M53-S75 PolarHBondContact O-N 2.97Å; M53-S75 PolarHBondContact O-OG 2.74Å; M53-S75 VanDerWaalsContact O-OG 3.06Å; S54-S75 PolarHBondContact N-OG 3.36Å; K70-S75 PolarHBondContact NZ-O 3.07Å; G73-S75 PolarHBondContact O-N 3.32Å
76C98.7Very high98.3Very high27 Ų2727.1 Ų27.118%0.18215%0.152CC..EExtended strand (participates in β ladder)trans-142.3154.9168.763.40000111.2S54 V55 N103S54-C76 VanDerWaalsContact CB-SG 3.52Å; V55-C76 PolarHBondContact N-O 2.97Å; C76-N103 CarbonylContact C-O 3.6Å; C76-N103 VanDerWaalsContact CA-O 3.31Å; C76-N103 WeakPolarHBondContact CA-O 3.45Å; C76-N103 HydrophobicContact CB-CB 4.31Å; C76-N103 VanDerWaalsContact CB-ND2 3.32Å; C76-N103 WeakPolarHBondContact CB-ND2 3.31Å
77V98.9Very high98.3Very high0 Ų027.7 Ų27.70%016%0.155CC..EExtended strand (participates in β ladder)trans-130.2128.2175.2-1760000110V55 A69 K70 A74 N103 I104 D105V55-V77 HydrophobicContact CB-CG2 4.35Å; V55-V77 CarbonylContact O-C 3.58Å; V55-V77 VanDerWaalsContact O-CA 3.29Å; V55-V77 WeakPolarHBondContact O-CA 3.38Å; A69-V77 HydrophobicContact CB-CG2 4.32Å; K70-V77 HydrophobicContact CB-CG2 4.04Å; K70-V77 HydrophobicContact CD-CG2 4.44Å; A74-V77 HydrophobicContact CB-CG2 3.77Å; V77-N103 PolarHBondContact N-O 3.23Å; V77-I104 HydrophobicContact CB-CB 4.48Å; V77-I104 HydrophobicContact CB-CG1 4.22Å; V77-I104 HydrophobicContact CB-CG2 4.14Å; V77-I104 HydrophobicContact CG1-CG2 4.39Å; V77-I104 HydrophobicContact CG2-CG1 4.45Å; V77-I104 WeakPolarHBondContact O-CA 3.43Å; V77-D105 PolarHBondContact O-N 2.94Å
78L98.8Very high98.3Very high46 Ų4631.5 Ų31.524%0.24118%0.175CC..EExtended strand (participates in β ladder)trans-113.7104.5175.3-61.2179.3000110V55 A56 D57 F80 D105 F122 V123V55-L78 PolarHBondContact O-N 3.05Å; A56-L78 CarbonylContact C-O 3.42Å; A56-L78 VanDerWaalsContact CA-O 3.27Å; A56-L78 WeakPolarHBondContact CA-O 3.46Å; D57-L78 PolarHBondContact N-O 3.02Å; L78-F80 HydrophobicContact CB-CE2 3.89Å; L78-F80 HydrophobicContact CB-CZ 4.2Å; L78-D105 HydrophobicContact CD2-CB 4.02Å; L78-F122 HydrophobicContact CD1-CE2 4.24Å; L78-V123 HydrophobicContact CD1-CG1 4.46Å
79G98.8Very high98.2Very high0 Ų032.1 Ų32.10%018%0.178CC..EExtended strand (participates in β ladder)trans-82.6137.8170.900000111.5D105 V106 T107G79-D105 PolarHBondContact N-O 3.14Å; G79-V106 CarbonylContact O-C 3.54Å; G79-V106 WeakPolarHBondContact O-CA 3.46Å; G79-T107 PolarHBondContact O-N 3.05Å
80F98.8Very high98.2Very high15 Ų1532.1 Ų32.17%0.06618%0.178CC..EExtended strand (participates in β ladder)trans-125.1125.8172.4-59.8-88.9000109.9A56 D57 L58 G59 C60 L78 T107 C109 V111 L114 F115 F122A56-F80 HydrophobicContact CB-CE2 4.06Å; D57-F80 PolarHBondContact O-N 3.5Å; L58-F80 HydrophobicContact CD2-CB 4.33Å; L58-F80 HydrophobicContact CD2-CD2 3.57Å; L58-F80 HydrophobicContact CD2-CE2 4.22Å; L58-F80 HydrophobicContact CD2-CG 4.23Å; G59-F80 VanDerWaalsContact CA-O 3.31Å; G59-F80 WeakPolarHBondContact CA-O 3.48Å; G59-F80 PolarHBondContact N-O 2.92Å; C60-F80 PolarHBondContact N-O 3.46Å; C60-F80 VanDerWaalsContact N-O 3.16Å; L78-F80 HydrophobicContact CB-CE2 3.89Å; L78-F80 HydrophobicContact CB-CZ 4.2Å; F80-T107 HydrophobicContact CD1-CG2 4.42Å; F80-C109 VanDerWaalsContact CD1-SG 3.51Å; F80-V111 HydrophobicContact CB-CG1 3.23Å; F80-V111 HydrophobicContact CG-CG1 3.96Å; F80-L114 HydrophobicContact CD1-CD2 4.35Å; F80-L114 HydrophobicContact CE1-CD2 4.21Å; F80-F115 HydrophobicContact CD1-CZ 4.5Å; F80-F115 HydrophobicContact CD2-CE2 4.47Å; F80-F115 HydrophobicContact CE1-CE2 4.37Å; F80-F115 AromaticContact CE1-CZ 3.95Å; F80-F115 HydrophobicContact CE1-CZ 3.95Å; F80-F115 HydrophobicContact CE2-CE2 4.34Å; F80-F115 HydrophobicContact CE2-CZ 4.25Å; F80-F115 HydrophobicContact CZ-CE2 4.29Å; F80-F115 AromaticContact CZ-CZ 3.8Å; F80-F115 HydrophobicContact CZ-CZ 3.8Å; F80-F122 HydrophobicContact CZ-CZ 4.48Å
81E98.4Very high98.2Very high13 Ų1335.3 Ų35.36%0.06119%0.193CC..EExtended strand (participates in β ladder)trans-142.3142.5-174.617950-113.500110.3G61 D83 A86 V87 T107 L108 C109G61-E81 VanDerWaalsContact CA-OE2 3.26Å; G61-E81 WeakPolarHBondContact CA-OE2 3.36Å; G61-E81 PolarHBondContact N-OE2 2.79Å; E81-D83 HydrophobicContact CG-CB 4.46Å; E81-D83 PolarHBondContact OE1-N 2.97Å; E81-A86 HydrophobicContact CG-CB 3.68Å; E81-V87 HydrophobicContact CB-CG2 3.88Å; E81-V87 HydrophobicContact CG-CG2 4.05Å; E81-T107 PolarHBondContact N-O 3.05Å; E81-L108 CarbonylContact O-C 3.55Å; E81-L108 VanDerWaalsContact O-CA 3.23Å; E81-L108 WeakPolarHBondContact O-CA 3.06Å; E81-C109 CarbonylContact C-O 3.58Å; E81-C109 PolarHBondContact O-N 3.41Å
82I97.5Very high98.2Very high76 Ų7635.2 Ų35.239%0.3920%0.197SC..SBendtrans-90.7-20-177.7-164.1168.3000112.2F26 L108 C109 D110F26-I82 HydrophobicContact CD1-CG2 3.94Å; F26-I82 HydrophobicContact CD2-CG2 4.24Å; F26-I82 HydrophobicContact CE1-CD1 4.43Å; F26-I82 HydrophobicContact CE1-CG2 3.92Å; F26-I82 HydrophobicContact CE2-CG2 4.22Å; F26-I82 HydrophobicContact CG-CG2 4.12Å; F26-I82 HydrophobicContact CZ-CG2 4.07Å; I82-L108 WeakPolarHBondContact O-CD1 3.28Å; I82-C109 WeakPolarHBondContact CA-O 3.45Å; I82-C109 PolarHBondContact N-O 2.92Å; I82-D110 HydrophobicContact CD1-CB 3.92Å; I82-D110 HydrophobicContact CG1-CB 4.47Å
83D97.7Very high98.3Very high6 Ų634.5 Ų34.53%0.03219%0.193CC..  trans-99.5116.1-177.9-175.813.3000113.1K23 F26 Q28 E81 D85 A86 V87K23-D83 WeakPolarHBondContact CD-OD2 3.39Å; K23-D83 WeakPolarHBondContact CE-OD2 3.5Å; K23-D83 IonicContact NZ-OD1 2.74Å; K23-D83 PolarHBondContact NZ-OD1 3.45Å; K23-D83 IonicContact NZ-OD2 2.65Å; K23-D83 PolarHBondContact NZ-OD2 2.85Å; F26-D83 HydrophobicContact CD2-CB 4.06Å; F26-D83 HydrophobicContact CE2-CB 4.03Å; Q28-D83 VanDerWaalsContact NE2-CB 3.27Å; Q28-D83 PolarHBondContact NE2-OD2 3.5Å; Q28-D83 PolarHBondContact OE1-OD2 2.84Å; E81-D83 HydrophobicContact CG-CB 4.46Å; E81-D83 PolarHBondContact OE1-N 2.97Å; D83-D85 VanDerWaalsContact C-N 3.26Å; D83-D85 PolarHBondContact O-N 3.34Å; D83-D85 PolarHBondContact OD1-N 3.19Å; D83-D85 VanDerWaalsContact OD1-N 3.08Å; D83-A86 HydrophobicContact CB-CB 4.02Å; D83-A86 WeakPolarHBondContact O-CB 3.42Å; D83-A86 PolarHBondContact O-N 3.01Å; D83-V87 WeakPolarHBondContact O-CG2 3.35Å; D83-V87 PolarHBondContact O-N 2.94Å
84E97.7Very high98.4Very high121 Ų12133.5 Ų33.557%0.56518%0.18SC*.Hα-helixtrans-57.8-35.1176.5-172.3175.5-166.100113A86 V87 N88 L108E84-A86 VanDerWaalsContact C-N 3.28Å; E84-A86 PolarHBondContact O-N 2.93Å; E84-V87 PolarHBondContact O-N 3.27Å; E84-N88 WeakPolarHBondContact O-CB 3.36Å; E84-N88 VanDerWaalsContact O-CG 3.25Å; E84-N88 PolarHBondContact O-N 3.34Å; E84-N88 PolarHBondContact O-ND2 2.96Å; E84-N88 VanDerWaalsContact O-ND2 3.15Å; E84-L108 HydrophobicContact CB-CD1 4.2Å; E84-L108 HydrophobicContact CB-CD2 4.14Å; E84-L108 HydrophobicContact CG-CD2 4.4Å
85D97.6Very high98.3Very high88 Ų8839.6 Ų39.647%0.47121%0.208SC..Hα-helixtrans-64.8-36.3177.5-67.5-39.7000111.3K23 D83 Q89K23-D85 WeakPolarHBondContact CE-OD2 3.36Å; K23-D85 IonicContact NZ-OD2 3.53Å; K23-D85 PolarHBondContact NZ-OD2 2.88Å; D83-D85 VanDerWaalsContact C-N 3.26Å; D83-D85 PolarHBondContact O-N 3.34Å; D83-D85 PolarHBondContact OD1-N 3.19Å; D83-D85 VanDerWaalsContact OD1-N 3.08Å; D85-Q89 WeakPolarHBondContact O-CB 3.49Å; D85-Q89 PolarHBondContact O-N 3.49Å
86A98Very high98.3Very high1 Ų140 Ų401%0.00821%0.208CC..Hα-helixtrans-72.5-40.3176.700000111.7F19 E81 D83 E84 Q89 F90F19-A86 HydrophobicContact CD1-CB 4.07Å; F19-A86 HydrophobicContact CE1-CB 3.63Å; E81-A86 HydrophobicContact CG-CB 3.68Å; D83-A86 HydrophobicContact CB-CB 4.02Å; D83-A86 WeakPolarHBondContact O-CB 3.42Å; D83-A86 PolarHBondContact O-N 3.01Å; E84-A86 VanDerWaalsContact C-N 3.28Å; E84-A86 PolarHBondContact O-N 2.93Å; A86-Q89 CarbonylContact O-C 3.52Å; A86-Q89 PolarHBondContact O-N 3.06Å; A86-F90 WeakPolarHBondContact O-CB 3.37Å; A86-F90 PolarHBondContact O-N 3.09Å
87V98.6Very high98.3Very high12 Ų1240.2 Ų40.27%0.07321%0.21CC..Hα-helixtrans-59-46.1173174.60000111.1E81 D83 E84 Q89 F90 Q91 V106 L108E81-V87 HydrophobicContact CB-CG2 3.88Å; E81-V87 HydrophobicContact CG-CG2 4.05Å; D83-V87 WeakPolarHBondContact O-CG2 3.35Å; D83-V87 PolarHBondContact O-N 2.94Å; E84-V87 PolarHBondContact O-N 3.27Å; V87-Q89 VanDerWaalsContact C-N 3.33Å; V87-Q89 PolarHBondContact O-N 2.94Å; V87-F90 VanDerWaalsContact O-CB 3.32Å; V87-F90 WeakPolarHBondContact O-CB 3.47Å; V87-F90 PolarHBondContact O-N 3.03Å; V87-Q91 PolarHBondContact O-N 2.87Å; V87-V106 HydrophobicContact CB-CG2 4.41Å; V87-V106 HydrophobicContact CG1-CG1 3.88Å; V87-V106 HydrophobicContact CG1-CG2 4.12Å; V87-V106 HydrophobicContact CG2-CG2 3.96Å; V87-L108 HydrophobicContact CG2-CB 4.31Å; V87-L108 HydrophobicContact CG2-CD1 4.05Å
88N98.3Very high98.2Very high81 Ų8149 Ų4943%0.43325%0.251SS..Hα-helixtrans-63.2-40.7177.1-70.1-31000111.6E84 Q91 S92E84-N88 WeakPolarHBondContact O-CB 3.36Å; E84-N88 VanDerWaalsContact O-CG 3.25Å; E84-N88 PolarHBondContact O-N 3.34Å; E84-N88 PolarHBondContact O-ND2 2.96Å; E84-N88 VanDerWaalsContact O-ND2 3.15Å; N88-Q91 PolarHBondContact O-N 2.91Å; N88-S92 PolarHBondContact O-N 3.19Å
89Q98.2Very high98.2Very high12 Ų1247.3 Ų47.36%0.05624%0.242CC..Hα-helixtrans-68.8-33.7175.8-172.956.479.200112.5T62 D85 A86 V87 S92 N93T62-Q89 HydrophobicContact CG2-CB 3.91Å; T62-Q89 HydrophobicContact CG2-CG 3.58Å; D85-Q89 WeakPolarHBondContact O-CB 3.49Å; D85-Q89 PolarHBondContact O-N 3.49Å; A86-Q89 CarbonylContact O-C 3.52Å; A86-Q89 PolarHBondContact O-N 3.06Å; V87-Q89 VanDerWaalsContact C-N 3.33Å; V87-Q89 PolarHBondContact O-N 2.94Å; Q89-S92 PolarHBondContact O-N 3.43Å; Q89-N93 PolarHBondContact NE2-OD1 2.85Å; Q89-N93 WeakPolarHBondContact O-CB 2.91Å; Q89-N93 VanDerWaalsContact O-CG 3.3Å; Q89-N93 PolarHBondContact O-N 3.06Å; Q89-N93 PolarHBondContact O-ND2 3Å
90F98.6Very high98Very high0 Ų052.2 Ų52.20%027%0.268CS..Hα-helixtrans-59-51.4171.4-171.2-56.7000110C60 S66 A86 V87 S92 N93 L94 I104 V106C60-F90 HydrophobicContact CB-CD2 4.43Å; C60-F90 HydrophobicContact CB-CE2 4.02Å; S66-F90 VanDerWaalsContact CB-CZ 3.48Å; S66-F90 WeakPolarHBondContact OG-CE2 3.31Å; A86-F90 WeakPolarHBondContact O-CB 3.37Å; A86-F90 PolarHBondContact O-N 3.09Å; V87-F90 VanDerWaalsContact O-CB 3.32Å; V87-F90 WeakPolarHBondContact O-CB 3.47Å; V87-F90 PolarHBondContact O-N 3.03Å; F90-S92 VanDerWaalsContact C-N 3.33Å; F90-S92 PolarHBondContact O-N 2.67Å; F90-N93 WeakPolarHBondContact O-CA 3.29Å; F90-N93 WeakPolarHBondContact O-CB 3.41Å; F90-N93 PolarHBondContact O-N 3.27Å; F90-L94 HydrophobicContact CD1-CD1 4.06Å; F90-L94 HydrophobicContact CD1-CD2 4.37Å; F90-L94 HydrophobicContact CD1-CG 3.9Å; F90-L94 HydrophobicContact CE1-CD1 3.85Å; F90-L94 HydrophobicContact CE1-CD2 3.85Å; F90-L94 HydrophobicContact CE1-CG 3.81Å; F90-L94 PolarHBondContact O-N 3.47Å; F90-I104 HydrophobicContact CE1-CG2 3.7Å; F90-I104 HydrophobicContact CZ-CG2 3.67Å; F90-V106 HydrophobicContact CB-CG1 4.45Å; F90-V106 HydrophobicContact CD1-CB 4.15Å; F90-V106 HydrophobicContact CD1-CG1 3.99Å; F90-V106 HydrophobicContact CD2-CB 4.21Å; F90-V106 HydrophobicContact CD2-CG2 4.07Å; F90-V106 HydrophobicContact CE1-CB 4.27Å; F90-V106 HydrophobicContact CE1-CG1 4.44Å; F90-V106 HydrophobicContact CE2-CB 4.29Å; F90-V106 HydrophobicContact CE2-CG2 4.41Å; F90-V106 HydrophobicContact CG-CB 4.16Å; F90-V106 HydrophobicContact CG-CG1 4.17Å; F90-V106 HydrophobicContact CG-CG2 4.28Å; F90-V106 HydrophobicContact CZ-CB 4.34Å
91Q98.4Very high97.9Very high96 Ų9659.6 Ų59.645%0.44931%0.308SS..Hα-helixtrans-60.4-42.1179.1-69.9178.2-300112.1V87 N88 N93 L94 E95 V106V87-Q91 PolarHBondContact O-N 2.87Å; N88-Q91 PolarHBondContact O-N 2.91Å; Q91-N93 VanDerWaalsContact C-N 3.27Å; Q91-N93 PolarHBondContact O-N 3.27Å; Q91-L94 WeakPolarHBondContact O-CB 3.03Å; Q91-L94 PolarHBondContact O-N 3.4Å; Q91-E95 PolarHBondContact O-N 3.01Å; Q91-E95 VanDerWaalsContact O-N 3.12Å; Q91-V106 HydrophobicContact CG-CG1 4.09Å
92S98.4Very high97.9Very high43 Ų4363.4 Ų63.430%0.30133%0.326SS..Hα-helixtrans-63.3-31.9173.9-179.30000112.9N88 Q89 F90 T96N88-S92 PolarHBondContact O-N 3.19Å; Q89-S92 PolarHBondContact O-N 3.43Å; F90-S92 VanDerWaalsContact C-N 3.33Å; F90-S92 PolarHBondContact O-N 2.67Å; S92-T96 WeakPolarHBondContact O-CB 3.44Å; S92-T96 PolarHBondContact O-N 3.09Å; S92-T96 PolarHBondContact O-OG1 3.32Å
93N98.7Very high97.9Very high0 Ų063.8 Ų63.80%033%0.328CS..Hα-helixtrans-71-36.9173.7-76.7-25.6000112.2V16 K17 T62 I67 Q89 F90 Q91 E95 T96 C97V16-N93 HydrophobicContact CG1-CB 4.26Å; V16-N93 WeakPolarHBondContact CG1-ND2 3.39Å; K17-N93 WeakPolarHBondContact CB-OD1 3.46Å; K17-N93 PolarHBondContact N-ND2 3.34Å; K17-N93 PolarHBondContact N-OD1 3.47Å; K17-N93 PolarHBondContact O-ND2 3.06Å; T62-N93 PolarHBondContact O-ND2 3.1Å; I67-N93 HydrophobicContact CD1-CB 3.93Å; Q89-N93 PolarHBondContact NE2-OD1 2.85Å; Q89-N93 WeakPolarHBondContact O-CB 2.91Å; Q89-N93 VanDerWaalsContact O-CG 3.3Å; Q89-N93 PolarHBondContact O-N 3.06Å; Q89-N93 PolarHBondContact O-ND2 3Å; F90-N93 WeakPolarHBondContact O-CA 3.29Å; F90-N93 WeakPolarHBondContact O-CB 3.41Å; F90-N93 PolarHBondContact O-N 3.27Å; Q91-N93 VanDerWaalsContact C-N 3.27Å; Q91-N93 PolarHBondContact O-N 3.27Å; N93-E95 VanDerWaalsContact C-N 3.32Å; N93-E95 PolarHBondContact O-N 2.82Å; N93-T96 PolarHBondContact O-N 3.23Å; N93-C97 WeakPolarHBondContact O-CB 3.36Å; N93-C97 PolarHBondContact O-N 3.28Å; N93-C97 PolarHBondContact O-SG 3.1Å
94L98.6Very high98Very high11 Ų1163.8 Ų63.86%0.05833%0.328CS..Hα-helixtrans-60-43.7172.5-66.5-177.4000111.2I67 F90 Q91 C97 E98 M99 L100 I104I67-L94 HydrophobicContact CD1-CD2 4.29Å; I67-L94 HydrophobicContact CG1-CD2 3.96Å; F90-L94 HydrophobicContact CD1-CD1 4.06Å; F90-L94 HydrophobicContact CD1-CD2 4.37Å; F90-L94 HydrophobicContact CD1-CG 3.9Å; F90-L94 HydrophobicContact CE1-CD1 3.85Å; F90-L94 HydrophobicContact CE1-CD2 3.85Å; F90-L94 HydrophobicContact CE1-CG 3.81Å; F90-L94 PolarHBondContact O-N 3.47Å; Q91-L94 WeakPolarHBondContact O-CB 3.03Å; Q91-L94 PolarHBondContact O-N 3.4Å; L94-C97 PolarHBondContact O-N 3.33Å; L94-E98 PolarHBondContact O-N 2.94Å; L94-E98 VanDerWaalsContact O-N 3.12Å; L94-M99 HydrophobicContact CD2-CB 4.1Å; L94-M99 PolarHBondContact O-N 3.06Å; L94-L100 HydrophobicContact CB-CD2 3.88Å; L94-L100 HydrophobicContact CB-CG 4.47Å; L94-I104 HydrophobicContact CD2-CB 4.26Å; L94-I104 HydrophobicContact CD2-CD1 3.66Å; L94-I104 HydrophobicContact CD2-CG2 4.17Å
95E98.1Very high98Very high129 Ų12962.5 Ų62.560%0.60333%0.325SS*.Hα-helixtrans-60.9-48.5174.1-173.1177.9-164.300111.6Q91 N93 C97 E98 L100Q91-E95 PolarHBondContact O-N 3.01Å; Q91-E95 VanDerWaalsContact O-N 3.12Å; N93-E95 VanDerWaalsContact C-N 3.32Å; N93-E95 PolarHBondContact O-N 2.82Å; E95-C97 PolarHBondContact O-N 3.14Å; E95-E98 PolarHBondContact O-N 3.15Å; E95-E98 VanDerWaalsContact O-N 3.07Å; E95-L100 HydrophobicContact CB-CD1 3.88Å; E95-L100 HydrophobicContact CB-CD2 4.35Å; E95-L100 HydrophobicContact CB-CG 4.17Å; E95-L100 HydrophobicContact CG-CD1 3.95Å
96T97.8Very high98.1Very high63 Ų6359.4 Ų59.439%0.38731%0.31SS..Hα-helixtrans-60.8-33179.5-58.80000112.5S92 N93S92-T96 WeakPolarHBondContact O-CB 3.44Å; S92-T96 PolarHBondContact O-N 3.09Å; S92-T96 PolarHBondContact O-OG1 3.32Å; N93-T96 PolarHBondContact O-N 3.23Å
97C97.7Very high98.1Very high32 Ų3262.4 Ų62.422%0.21633%0.328CS..THydrogen-bonded Turntrans-90.82.5179.9-60.30000113.5N93 L94 E95 M99N93-C97 WeakPolarHBondContact O-CB 3.36Å; N93-C97 PolarHBondContact O-N 3.28Å; N93-C97 PolarHBondContact O-SG 3.1Å; L94-C97 PolarHBondContact O-N 3.33Å; E95-C97 PolarHBondContact O-N 3.14Å; C97-M99 VanDerWaalsContact C-N 3.34Å; C97-M99 HydrophobicContact CB-CG 3.91Å; C97-M99 HydrophobicContact CB-SD 3.99Å; C97-M99 WeakPolarHBondContact O-CG 3.32Å; C97-M99 PolarHBondContact O-N 2.9Å
98E97.4Very high98.1Very high184 Ų18466.1 Ų66.186%0.8635%0.347SS*.THydrogen-bonded Turntrans59.240.1-175.7-55-179.5160.300113.2L94 E95L94-E98 PolarHBondContact O-N 2.94Å; L94-E98 VanDerWaalsContact O-N 3.12Å; E95-E98 PolarHBondContact O-N 3.15Å; E95-E98 VanDerWaalsContact O-N 3.07Å
99M98Very high98.1Very high11 Ų1163.5 Ų63.55%0.05434%0.335CS..  trans-119.418.6-174.6-57.8-174.680.100113.8I67 K70 L71 L94 C97 D101 E102 I104I67-M99 HydrophobicContact CG2-SD 3.75Å; K70-M99 HydrophobicContact CB-CE 3.74Å; K70-M99 HydrophobicContact CG-CE 3.46Å; K70-M99 VanDerWaalsContact CG-CE 3.46Å; L71-M99 HydrophobicContact CD2-CE 4.17Å; L71-M99 HydrophobicContact CD2-SD 4.28Å; L71-M99 HydrophobicContact CG-CE 4.21Å; L71-M99 HydrophobicContact CG-SD 4.36Å; L94-M99 HydrophobicContact CD2-CB 4.1Å; L94-M99 PolarHBondContact O-N 3.06Å; C97-M99 VanDerWaalsContact C-N 3.34Å; C97-M99 HydrophobicContact CB-CG 3.91Å; C97-M99 HydrophobicContact CB-SD 3.99Å; C97-M99 WeakPolarHBondContact O-CG 3.32Å; C97-M99 PolarHBondContact O-N 2.9Å; M99-D101 VanDerWaalsContact C-N 3.28Å; M99-D101 PolarHBondContact O-N 3.06Å; M99-E102 HydrophobicContact CB-CB 4.2Å; M99-E102 HydrophobicContact CB-CG 4.05Å; M99-E102 HydrophobicContact CE-CG 4.19Å; M99-E102 HydrophobicContact CG-CG 4.37Å; M99-E102 WeakPolarHBondContact O-CB 3.32Å; M99-E102 PolarHBondContact O-N 3.32Å; M99-I104 HydrophobicContact CB-CD1 4.33Å; M99-I104 HydrophobicContact CE-CD1 3.69Å; M99-I104 HydrophobicContact SD-CD1 4.35Å
100L96.1Very high98Very high103 Ų10366.4 Ų66.454%0.53935%0.35SS..THydrogen-bonded Turntrans-65.4-30.7178.6-72.6173.6000113.3L94 E95 E102L94-L100 HydrophobicContact CB-CD2 3.88Å; L94-L100 HydrophobicContact CB-CG 4.47Å; E95-L100 HydrophobicContact CB-CD1 3.88Å; E95-L100 HydrophobicContact CB-CD2 4.35Å; E95-L100 HydrophobicContact CB-CG 4.17Å; E95-L100 HydrophobicContact CG-CD1 3.95Å; L100-E102 VanDerWaalsContact C-N 3.34Å
101D96.8Very high97.9Very high170 Ų17066.6 Ų66.691%0.90935%0.351SS*.THydrogen-bonded Turntrans-90.4-1.1178.4-62-47000112.7M99M99-D101 VanDerWaalsContact C-N 3.28Å; M99-D101 PolarHBondContact O-N 3.06Å
102E97.8Very high97.8Very high93 Ų9363.8 Ų63.844%0.43534%0.341SS..SBendtrans-79.8153.6175.1-69.7-65.2158.100110.7K70 M99 L100 I104K70-E102 WeakPolarHBondContact CE-OE2 3.47Å; K70-E102 HydrophobicContact CG-CB 4.35Å; K70-E102 IonicContact NZ-OE2 3.45Å; M99-E102 HydrophobicContact CB-CB 4.2Å; M99-E102 HydrophobicContact CB-CG 4.05Å; M99-E102 HydrophobicContact CE-CG 4.19Å; M99-E102 HydrophobicContact CG-CG 4.37Å; M99-E102 WeakPolarHBondContact O-CB 3.32Å; M99-E102 PolarHBondContact O-N 3.32Å; L100-E102 VanDerWaalsContact C-N 3.34Å; E102-I104 HydrophobicContact CB-CD1 4.33Å; E102-I104 HydrophobicContact CB-CG1 4.4Å; E102-I104 PolarHBondContact O-N 3.19Å
103N98.4Very high97.7Very high83 Ų8371.6 Ų71.644%0.44436%0.364SS..SBendtrans-76.467.9179-163.7-1.5000111.6C76 V77C76-N103 CarbonylContact C-O 3.6Å; C76-N103 VanDerWaalsContact CA-O 3.31Å; C76-N103 WeakPolarHBondContact CA-O 3.45Å; C76-N103 HydrophobicContact CB-CB 4.31Å; C76-N103 VanDerWaalsContact CB-ND2 3.32Å; C76-N103 WeakPolarHBondContact CB-ND2 3.31Å; V77-N103 PolarHBondContact N-O 3.23Å
104I98.7Very high97.5Very high7 Ų775.7 Ų75.74%0.03639%0.385CS..EExtended strand (participates in β ladder)trans-127.4116.9174-53.8164.9000108.2K70 V77 F90 L94 M99 E102K70-I104 HydrophobicContact CB-CD1 3.6Å; K70-I104 HydrophobicContact CB-CG1 3.81Å; K70-I104 HydrophobicContact CD-CG1 4.07Å; K70-I104 HydrophobicContact CG-CD1 3.64Å; K70-I104 HydrophobicContact CG-CG1 3.71Å; V77-I104 HydrophobicContact CB-CB 4.48Å; V77-I104 HydrophobicContact CB-CG1 4.22Å; V77-I104 HydrophobicContact CB-CG2 4.14Å; V77-I104 HydrophobicContact CG1-CG2 4.39Å; V77-I104 HydrophobicContact CG2-CG1 4.45Å; V77-I104 WeakPolarHBondContact O-CA 3.43Å; F90-I104 HydrophobicContact CE1-CG2 3.7Å; F90-I104 HydrophobicContact CZ-CG2 3.67Å; L94-I104 HydrophobicContact CD2-CB 4.26Å; L94-I104 HydrophobicContact CD2-CD1 3.66Å; L94-I104 HydrophobicContact CD2-CG2 4.17Å; M99-I104 HydrophobicContact CB-CD1 4.33Å; M99-I104 HydrophobicContact CE-CD1 3.69Å; M99-I104 HydrophobicContact SD-CD1 4.35Å; E102-I104 HydrophobicContact CB-CD1 4.33Å; E102-I104 HydrophobicContact CB-CG1 4.4Å; E102-I104 PolarHBondContact O-N 3.19Å
105D98.4Very high97.3Very high94 Ų9475.7 Ų75.750%0.50339%0.385SS..EExtended strand (participates in β ladder)trans-114.6151.3174.5-71.1-48.3000111V77 L78 G79V77-D105 PolarHBondContact O-N 2.94Å; L78-D105 HydrophobicContact CD2-CB 4.02Å; G79-D105 PolarHBondContact N-O 3.14Å
106V98.6Very high96.8Very high23 Ų2375.4 Ų75.414%0.13938%0.383CS..EExtended strand (participates in β ladder)trans-126.4130.2172.157.40000110.2G79 V87 F90 Q91G79-V106 CarbonylContact O-C 3.54Å; G79-V106 WeakPolarHBondContact O-CA 3.46Å; V87-V106 HydrophobicContact CB-CG2 4.41Å; V87-V106 HydrophobicContact CG1-CG1 3.88Å; V87-V106 HydrophobicContact CG1-CG2 4.12Å; V87-V106 HydrophobicContact CG2-CG2 3.96Å; F90-V106 HydrophobicContact CB-CG1 4.45Å; F90-V106 HydrophobicContact CD1-CB 4.15Å; F90-V106 HydrophobicContact CD1-CG1 3.99Å; F90-V106 HydrophobicContact CD2-CB 4.21Å; F90-V106 HydrophobicContact CD2-CG2 4.07Å; F90-V106 HydrophobicContact CE1-CB 4.27Å; F90-V106 HydrophobicContact CE1-CG1 4.44Å; F90-V106 HydrophobicContact CE2-CB 4.29Å; F90-V106 HydrophobicContact CE2-CG2 4.41Å; F90-V106 HydrophobicContact CG-CB 4.16Å; F90-V106 HydrophobicContact CG-CG1 4.17Å; F90-V106 HydrophobicContact CG-CG2 4.28Å; F90-V106 HydrophobicContact CZ-CB 4.34Å; Q91-V106 HydrophobicContact CG-CG1 4.09Å
107T98.4Very high95.8Very high64 Ų6480.3 Ų80.339%0.39340%0.402SS..EExtended strand (participates in β ladder)trans-114.7125.7-178.8-61.50000111G79 F80 E81 C109G79-T107 PolarHBondContact O-N 3.05Å; F80-T107 HydrophobicContact CD1-CG2 4.42Å; E81-T107 PolarHBondContact N-O 3.05Å; T107-C109 HydrophobicContact CG2-CB 4.28Å; T107-C109 PolarHBondContact O-N 3.45Å
108L98.6Very high94.7Very high90 Ų9081.4 Ų81.447%0.47141%0.405SS..EExtended strand (participates in β ladder)trans-72.5104.6171.4-177.265.8000110.2E81 I82 E84 V87E81-L108 CarbonylContact O-C 3.55Å; E81-L108 VanDerWaalsContact O-CA 3.23Å; E81-L108 WeakPolarHBondContact O-CA 3.06Å; I82-L108 WeakPolarHBondContact O-CD1 3.28Å; E84-L108 HydrophobicContact CB-CD1 4.2Å; E84-L108 HydrophobicContact CB-CD2 4.14Å; E84-L108 HydrophobicContact CG-CD2 4.4Å; V87-L108 HydrophobicContact CG2-CB 4.31Å; V87-L108 HydrophobicContact CG2-CD1 4.05Å
109C97.4Very high93.9Very high26 Ų2679 Ų7918%0.17640%0.399CS..SBendtrans-161.5165178.272.30000114F80 E81 I82 T107 L114F80-C109 VanDerWaalsContact CD1-SG 3.51Å; E81-C109 CarbonylContact C-O 3.58Å; E81-C109 PolarHBondContact O-N 3.41Å; I82-C109 WeakPolarHBondContact CA-O 3.45Å; I82-C109 PolarHBondContact N-O 2.92Å; T107-C109 HydrophobicContact CG2-CB 4.28Å; T107-C109 PolarHBondContact O-N 3.45Å; C109-L114 HydrophobicContact CB-CD2 4.46Å
110D97.2Very high93.7Very high72 Ų7283.2 Ų83.239%0.38542%0.421SS..  trans-90.6105165.2177.9-13.1000109.4I82 V112 R113 L114I82-D110 HydrophobicContact CD1-CB 3.92Å; I82-D110 HydrophobicContact CG1-CB 4.47Å; D110-V112 VanDerWaalsContact C-N 3.3Å; D110-V112 PolarHBondContact O-N 3.25Å; D110-V112 WeakPolarHBondContact OD1-CA 3.48Å; D110-V112 WeakPolarHBondContact OD1-CB 3.36Å; D110-V112 PolarHBondContact OD1-N 3.25Å; D110-R113 HydrophobicContact CB-CB 4.08Å; D110-R113 PolarHBondContact O-N 3.17Å; D110-R113 PolarHBondContact OD1-N 2.99Å; D110-L114 VanDerWaalsContact O-CB 3.24Å; D110-L114 WeakPolarHBondContact O-CB 3.43Å; D110-L114 PolarHBondContact O-N 3.44Å
111V97.3Very high93.6Very high4 Ų481.4 Ų81.42%0.02441%0.409CS..Hα-helixtrans-64.2-32.3-179.5-63.70000113.3L58 F80 R113 L114 F115 F145L58-V111 HydrophobicContact CD2-CG1 4.03Å; F80-V111 HydrophobicContact CB-CG1 3.23Å; F80-V111 HydrophobicContact CG-CG1 3.96Å; V111-R113 VanDerWaalsContact C-N 3.33Å; V111-L114 PolarHBondContact O-N 2.86Å; V111-F115 HydrophobicContact CB-CD2 4.16Å; V111-F115 HydrophobicContact CB-CE2 4.41Å; V111-F115 HydrophobicContact CG1-CE2 4.35Å; V111-F115 PolarHBondContact O-N 3.33Å; V111-F145 HydrophobicContact CG2-CD1 3.9Å; V111-F145 HydrophobicContact CG2-CD2 4.37Å; V111-F145 HydrophobicContact CG2-CE1 3.47Å; V111-F145 VanDerWaalsContact CG2-CE1 3.47Å; V111-F145 HydrophobicContact CG2-CE2 4Å; V111-F145 HydrophobicContact CG2-CG 4.33Å; V111-F145 HydrophobicContact CG2-CZ 3.53Å
112V95.9Very high93.6Very high38 Ų3877.3 Ų77.323%0.2338%0.383CS..Hα-helixtrans-67-42.9179.7173.20000108.9D110 H116 A144 F145D110-V112 VanDerWaalsContact C-N 3.3Å; D110-V112 PolarHBondContact O-N 3.25Å; D110-V112 WeakPolarHBondContact OD1-CA 3.48Å; D110-V112 WeakPolarHBondContact OD1-CB 3.36Å; D110-V112 PolarHBondContact OD1-N 3.25Å; V112-H116 WeakPolarHBondContact O-CA 3.46Å; V112-H116 VanDerWaalsContact O-CB 3.31Å; V112-H116 WeakPolarHBondContact O-CB 3.25Å; V112-H116 PolarHBondContact O-N 3.2Å; V112-A144 HydrophobicContact CB-CB 4.47Å; V112-A144 HydrophobicContact CG1-CB 3.78Å; V112-A144 HydrophobicContact CG2-CB 3.81Å; V112-F145 HydrophobicContact CG2-CD2 3.58Å; V112-F145 HydrophobicContact CG2-CE2 3.7Å
113R95.2Very high93.7Very high207 Ų20773 Ų7378%0.78136%0.363SS*.Hα-helixtrans-71.5-41.1175.3-175178.3174.8-168.8-2112.5D110 V111D110-R113 HydrophobicContact CB-CB 4.08Å; D110-R113 PolarHBondContact O-N 3.17Å; D110-R113 PolarHBondContact OD1-N 2.99Å; V111-R113 VanDerWaalsContact C-N 3.33Å
114L95.1Very high93.7Very high86 Ų8671.2 Ų71.245%0.4535%0.354SS..Hα-helixtrans-66.7-41.1-175.2-179.461.9000112.6F80 C109 D110 V111F80-L114 HydrophobicContact CD1-CD2 4.35Å; F80-L114 HydrophobicContact CE1-CD2 4.21Å; C109-L114 HydrophobicContact CB-CD2 4.46Å; D110-L114 VanDerWaalsContact O-CB 3.24Å; D110-L114 WeakPolarHBondContact O-CB 3.43Å; D110-L114 PolarHBondContact O-N 3.44Å; V111-L114 PolarHBondContact O-N 2.86Å
115F94.7Very high93.7Very high11 Ų1170.9 Ų70.95%0.04835%0.352CS..SBendtrans-107.111.5-175.6-56.1-52.6000113.4L58 F80 V111 E117 N118 F122 A148 S151 I152L58-F115 HydrophobicContact CD2-CE2 4.11Å; F80-F115 HydrophobicContact CD1-CZ 4.5Å; F80-F115 HydrophobicContact CD2-CE2 4.47Å; F80-F115 HydrophobicContact CE1-CE2 4.37Å; F80-F115 AromaticContact CE1-CZ 3.95Å; F80-F115 HydrophobicContact CE1-CZ 3.95Å; F80-F115 HydrophobicContact CE2-CE2 4.34Å; F80-F115 HydrophobicContact CE2-CZ 4.25Å; F80-F115 HydrophobicContact CZ-CE2 4.29Å; F80-F115 AromaticContact CZ-CZ 3.8Å; F80-F115 HydrophobicContact CZ-CZ 3.8Å; V111-F115 HydrophobicContact CB-CD2 4.16Å; V111-F115 HydrophobicContact CB-CE2 4.41Å; V111-F115 HydrophobicContact CG1-CE2 4.35Å; V111-F115 PolarHBondContact O-N 3.33Å; F115-E117 PolarHBondContact O-N 3.48Å; F115-N118 HydrophobicContact CB-CB 4.48Å; F115-N118 WeakPolarHBondContact O-CB 3.41Å; F115-N118 PolarHBondContact O-N 2.87Å; F115-F122 HydrophobicContact CD1-CE1 4.42Å; F115-F122 AromaticContact CE1-CE1 3.71Å; F115-F122 HydrophobicContact CE1-CE1 3.71Å; F115-F122 AromaticContact CE1-CZ 3.81Å; F115-F122 HydrophobicContact CE1-CZ 3.81Å; F115-F122 HydrophobicContact CZ-CE1 4.19Å; F115-F122 AromaticContact CZ-CZ 3.82Å; F115-F122 HydrophobicContact CZ-CZ 3.82Å; F115-A148 HydrophobicContact CB-CB 3.83Å; F115-A148 HydrophobicContact CD2-CB 4.35Å; F115-S151 PolarHBondContact O-OG 3.5Å; F115-I152 HydrophobicContact CB-CG2 4.12Å; F115-I152 HydrophobicContact CD1-CG2 3.48Å; F115-I152 VanDerWaalsContact CD1-CG2 3.48Å; F115-I152 HydrophobicContact CD2-CD1 4.29Å; F115-I152 HydrophobicContact CD2-CG2 4.17Å; F115-I152 HydrophobicContact CE1-CG2 3.86Å; F115-I152 HydrophobicContact CE2-CD1 4Å; F115-I152 HydrophobicContact CE2-CG2 4.48Å; F115-I152 HydrophobicContact CG-CG2 3.66Å; F115-I152 HydrophobicContact CZ-CD1 4.26Å; F115-I152 HydrophobicContact CZ-CG2 4.34Å
116H88.3Confident93.7Very high123 Ų12366.4 Ų66.457%0.56933%0.328SS*.THydrogen-bonded Turntrans-52.5116.8175.9-172.1-87.9000111V112 N118V112-H116 WeakPolarHBondContact O-CA 3.46Å; V112-H116 VanDerWaalsContact O-CB 3.31Å; V112-H116 WeakPolarHBondContact O-CB 3.25Å; V112-H116 PolarHBondContact O-N 3.2Å; H116-N118 PolarHBondContact O-N 3.36Å
117E75.1Confident93.7Very high166 Ų16665.5 Ų65.578%0.77632%0.323SS*.THydrogen-bonded Turntrans5422.8179.9-64.5175.9166.100114.3F115 N119F115-E117 PolarHBondContact O-N 3.48Å; E117-N119 PolarHBondContact O-N 2.94Å
118N75.3Confident93.7Very high54 Ų5462.6 Ų62.629%0.28930%0.304SS..  trans-90.499.9-177.6-175.4-6.6000110.8F115 H116 N120 S151F115-N118 HydrophobicContact CB-CB 4.48Å; F115-N118 WeakPolarHBondContact O-CB 3.41Å; F115-N118 PolarHBondContact O-N 2.87Å; H116-N118 PolarHBondContact O-N 3.36Å; N118-N120 PolarHBondContact O-N 2.88Å; N118-N120 WeakPolarHBondContact OD1-CB 3.21Å; N118-N120 PolarHBondContact OD1-N 3.44Å; N118-S151 CarbonylContact O-C 3.52Å; N118-S151 WeakPolarHBondContact O-CB 3.21Å; N118-S151 PolarHBondContact O-OG 3.02Å
119N81.8Confident93.6Very high135 Ų13559.6 Ų59.672%0.72229%0.289SS*.  trans-84.223.4177.4-72.3-34.2000114.2E117 K121E117-N119 PolarHBondContact O-N 2.94Å; N119-K121 PolarHBondContact O-N 2.92Å
120N92.2Very high93.6Very high99 Ų9958.4 Ų58.453%0.52928%0.281SS..  trans-82.799.5175.2-170.320.2000110.1N118 F122N118-N120 PolarHBondContact O-N 2.88Å; N118-N120 WeakPolarHBondContact OD1-CB 3.21Å; N118-N120 PolarHBondContact OD1-N 3.44Å; N120-F122 VanDerWaalsContact O-CD1 3.32Å; N120-F122 WeakPolarHBondContact O-CD1 3.35Å; N120-F122 PolarHBondContact O-N 2.91Å
121K95.3Very high93.5Very high65 Ų6555.8 Ų55.828%0.28327%0.268SS..  trans-75123175.2-48.5-44.9-163.4121.30109.6N119 L150 S151 I152 A153 H154 F213N119-K121 PolarHBondContact O-N 2.92Å; K121-L150 PolarHBondContact NZ-O 3.07Å; K121-S151 WeakPolarHBondContact CD-O 3.47Å; K121-I152 CarbonylContact C-O 3.47Å; K121-I152 VanDerWaalsContact CA-O 3.32Å; K121-I152 WeakPolarHBondContact CA-O 3.42Å; K121-A153 VanDerWaalsContact CD-O 3.26Å; K121-A153 WeakPolarHBondContact CD-O 3.49Å; K121-A153 WeakPolarHBondContact CE-O 3.43Å; K121-A153 PolarHBondContact NZ-O 3.34Å; K121-H154 HydrophobicContact CB-CB 4.28Å; K121-F213 VanDerWaalsContact NZ-CE2 3.33Å
122F96.9Very high93.2Very high83 Ų8356.9 Ų56.936%0.36427%0.272SS..  trans-141.4-5-177.670.1-96.3000115.4L78 F80 F115 N120 I152L78-F122 HydrophobicContact CD1-CE2 4.24Å; F80-F122 HydrophobicContact CZ-CZ 4.48Å; F115-F122 HydrophobicContact CD1-CE1 4.42Å; F115-F122 AromaticContact CE1-CE1 3.71Å; F115-F122 HydrophobicContact CE1-CE1 3.71Å; F115-F122 AromaticContact CE1-CZ 3.81Å; F115-F122 HydrophobicContact CE1-CZ 3.81Å; F115-F122 HydrophobicContact CZ-CE1 4.19Å; F115-F122 AromaticContact CZ-CZ 3.82Å; F115-F122 HydrophobicContact CZ-CZ 3.82Å; N120-F122 VanDerWaalsContact O-CD1 3.32Å; N120-F122 WeakPolarHBondContact O-CD1 3.35Å; N120-F122 PolarHBondContact O-N 2.91Å; F122-I152 HydrophobicContact CD1-CB 4.06Å; F122-I152 HydrophobicContact CD1-CG2 4.26Å; F122-I152 HydrophobicContact CE1-CB 3.57Å; F122-I152 HydrophobicContact CE1-CD1 4.41Å; F122-I152 HydrophobicContact CE1-CG2 3.51Å; F122-I152 HydrophobicContact CZ-CB 4.11Å; F122-I152 HydrophobicContact CZ-CD1 4.11Å; F122-I152 HydrophobicContact CZ-CG2 4.22Å; F122-I152 PolarHBondContact N-O 3.37Å
123V98.3Very high93Very high3 Ų355.6 Ų55.62%0.01827%0.267CS..EExtended strand (participates in β ladder)trans-123.8149.4169.7-69.70000110.1S54 A56 L78 V126 I152 A153 H154S54-V123 WeakPolarHBondContact OG-CA 3.32Å; A56-V123 HydrophobicContact CB-CB 4.45Å; A56-V123 HydrophobicContact CB-CG1 4.16Å; A56-V123 HydrophobicContact CB-CG2 3.87Å; L78-V123 HydrophobicContact CD1-CG1 4.46Å; V123-V126 HydrophobicContact CG2-CG2 3.62Å; V123-I152 HydrophobicContact CG2-CD1 4.3Å; V123-I152 HydrophobicContact CG2-CG1 4.11Å; V123-I152 PolarHBondContact N-O 3.29Å; V123-A153 CarbonylContact O-C 3.55Å; V123-A153 WeakPolarHBondContact O-CA 3.29Å; V123-H154 WeakPolarHBondContact O-CB 3.33Å; V123-H154 PolarHBondContact O-N 3.04Å
124D98.7Very high92.3Very high46 Ų4649.3 Ų49.325%0.24625%0.252CS..EExtended strand (participates in β ladder)trans-69.5-48.7179.6-60.2-57.1000110.7M53 S54 L155 H156M53-D124 HydrophobicContact CB-CB 4.04Å; M53-D124 HydrophobicContact CG-CB 4.43Å; M53-D124 HydrophobicContact SD-CB 3.93Å; S54-D124 PolarHBondContact N-OD2 3.35Å; S54-D124 PolarHBondContact O-N 3.45Å; S54-D124 VanDerWaalsContact O-N 3.09Å; S54-D124 VanDerWaalsContact OG-CG 3.27Å; S54-D124 PolarHBondContact OG-N 3.41Å; S54-D124 PolarHBondContact OG-OD2 3.12Å; D124-L155 HydrophobicContact CB-CD1 4.26Å; D124-L155 WeakPolarHBondContact O-CA 3.35Å; D124-L155 WeakPolarHBondContact O-CB 3.32Å; D124-L155 PolarHBondContact O-N 2.93Å; D124-H156 PolarHBondContact O-N 2.83Å
125T98.9Very high91.6Very high0 Ų047.5 Ų47.50%024%0.243CC..EExtended strand (participates in β ladder)trans-126.8137.3-174.6-62.10000110.9A49 L50 S54 V55 A56 I127 H156 Y158A49-T125 HydrophobicContact CB-CG2 4.48Å; A49-T125 WeakPolarHBondContact O-CB 3.2Å; A49-T125 PolarHBondContact O-OG1 3.33Å; L50-T125 HydrophobicContact CD2-CG2 4.47Å; S54-T125 PolarHBondContact O-N 3.15Å; V55-T125 CarbonylContact C-O 3.59Å; V55-T125 VanDerWaalsContact CA-O 3.25Å; V55-T125 WeakPolarHBondContact CA-O 3.15Å; A56-T125 PolarHBondContact N-O 3.46Å; T125-I127 HydrophobicContact CG2-CG2 4.17Å; T125-H156 CarbonylContact C-O 3.52Å; T125-H156 WeakPolarHBondContact CA-O 3.31Å; T125-H156 HydrophobicContact CG2-CB 4.18Å; T125-Y158 HydrophobicContact CG2-CD2 3.91Å; T125-Y158 HydrophobicContact CG2-CE2 4.02Å
126V98.9Very high90.9Very high0 Ų053 Ų530%028%0.28CS..EExtended strand (participates in β ladder)trans-114.8132.9167.8-174.50000109A56 L58 V123 L128 A149 I152 A153 H156 V157 Y158A56-V126 HydrophobicContact CB-CG1 4.43Å; A56-V126 HydrophobicContact CB-CG2 4.26Å; A56-V126 CarbonylContact O-C 3.45Å; A56-V126 WeakPolarHBondContact O-CA 3.14Å; L58-V126 HydrophobicContact CD1-CG1 4.19Å; L58-V126 HydrophobicContact CG-CG1 3.83Å; V123-V126 HydrophobicContact CG2-CG2 3.62Å; V126-L128 HydrophobicContact CG1-CD2 4.25Å; V126-A149 HydrophobicContact CB-CB 4.19Å; V126-A149 HydrophobicContact CG1-CB 3.64Å; V126-I152 HydrophobicContact CG2-CD1 3.96Å; V126-I152 HydrophobicContact CG2-CG1 3.62Å; V126-A153 HydrophobicContact CB-CB 4.35Å; V126-A153 HydrophobicContact CG2-CB 3.61Å; V126-H156 PolarHBondContact N-O 2.78Å; V126-V157 HydrophobicContact CB-CG2 4.29Å; V126-V157 CarbonylContact O-C 3.35Å; V126-V157 VanDerWaalsContact O-CA 3.3Å; V126-V157 WeakPolarHBondContact O-CA 3.31Å; V126-Y158 PolarHBondContact O-N 2.83Å
127I98.8Very high90.5Very high4 Ų456.9 Ų56.92%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-115.6145.3170.664-174.1000108.7L40 I43 V55 A56 D57 L58 L65 A69 T125 Y158L40-I127 HydrophobicContact CD2-CD1 4.09Å; I43-I127 HydrophobicContact CD1-CG2 4.42Å; V55-I127 HydrophobicContact CG1-CD1 3.95Å; V55-I127 HydrophobicContact CG1-CG1 4.09Å; A56-I127 PolarHBondContact O-N 2.84Å; D57-I127 WeakPolarHBondContact CA-O 3.31Å; D57-I127 HydrophobicContact CB-CD1 4.47Å; D57-I127 HydrophobicContact CB-CG1 4.04Å; L58-I127 PolarHBondContact N-O 3.05Å; L58-I127 VanDerWaalsContact N-O 3.17Å; L65-I127 HydrophobicContact CB-CD1 3.76Å; L65-I127 HydrophobicContact CB-CG1 4.41Å; A69-I127 HydrophobicContact CB-CD1 4.09Å; T125-I127 HydrophobicContact CG2-CG2 4.17Å; I127-Y158 CarbonylContact C-O 3.52Å; I127-Y158 WeakPolarHBondContact CA-O 3.37Å; I127-Y158 HydrophobicContact CG2-CD2 4.44Å
128L98.5Very high91.1Very high2 Ų250.2 Ų50.21%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-158.4141.9175.762167.5000113.7L58 V126 P130 F145 A149 V157 Y158 S159 L160L58-L128 HydrophobicContact CB-CB 4.13Å; L58-L128 HydrophobicContact CB-CD1 4.48Å; L58-L128 WeakPolarHBondContact O-CB 3.44Å; V126-L128 HydrophobicContact CG1-CD2 4.25Å; L128-P130 HydrophobicContact CD1-CB 4.28Å; L128-P130 HydrophobicContact CD1-CG 4.31Å; L128-P130 WeakPolarHBondContact O-CD 3.22Å; L128-F145 HydrophobicContact CD1-CB 3.91Å; L128-F145 HydrophobicContact CD1-CD1 4.37Å; L128-A149 HydrophobicContact CD1-CB 4.09Å; L128-A149 HydrophobicContact CD2-CB 3.78Å; L128-V157 HydrophobicContact CD2-CG1 3.77Å; L128-Y158 PolarHBondContact N-O 3.36Å; L128-S159 WeakPolarHBondContact O-CA 3.44Å; L128-L160 PolarHBondContact O-N 2.96Å
129N96.7Very high91.7Very high27 Ų2754.4 Ų54.414%0.14429%0.287CS..  trans-112.483.1160.2-174.412.9000108.4T31 L65 L160 Y188T31-N129 PolarHBondContact OG1-ND2 3.12Å; L65-N129 HydrophobicContact CD1-CB 4.49Å; N129-L160 HydrophobicContact CB-CD1 3.95Å; N129-Y188 PolarHBondContact ND2-OH 3.05Å; N129-Y188 VanDerWaalsContact ND2-OH 3.1Å
130P96.7Very high92.2Very high2 Ų249.5 Ų49.51%0.01327%0.268CS..  trans-69.9157.9-173.130.3-35.4000111.5L128 F132 D142 F145 L160L128-P130 HydrophobicContact CD1-CB 4.28Å; L128-P130 HydrophobicContact CD1-CG 4.31Å; L128-P130 WeakPolarHBondContact O-CD 3.22Å; P130-F132 WeakPolarHBondContact O-CD1 3.34Å; P130-F132 PolarHBondContact O-N 3.09Å; P130-D142 HydrophobicContact CG-CB 4.4Å; P130-F145 HydrophobicContact CB-CB 3.7Å; P130-F145 HydrophobicContact CB-CD1 4Å; P130-F145 HydrophobicContact CB-CG 3.9Å; P130-L160 VanDerWaalsContact CD-O 3.28Å; P130-L160 WeakPolarHBondContact CD-O 3.19Å
131P94.7Very high92.4Very high17 Ų1746.8 Ų46.811%0.1125%0.253CS..  trans-54.5130.616421.6-30.3000109.8E27 G133 I141 D142 F145E27-P131 HydrophobicContact CB-CB 3.94Å; E27-P131 HydrophobicContact CG-CB 4.45Å; P131-G133 PolarHBondContact O-N 3.25Å; P131-G133 VanDerWaalsContact O-N 3.14Å; P131-I141 HydrophobicContact CB-CG2 3.86Å; P131-I141 HydrophobicContact CG-CB 4.47Å; P131-I141 HydrophobicContact CG-CD1 3.78Å; P131-I141 HydrophobicContact CG-CG1 3.95Å; P131-I141 HydrophobicContact CG-CG2 3.7Å; P131-I141 WeakPolarHBondContact O-CG2 3.31Å; P131-D142 WeakPolarHBondContact O-CB 3.49Å; P131-F145 HydrophobicContact CG-CD2 4.32Å; P131-F145 HydrophobicContact CG-CE2 3.92Å; P131-F145 HydrophobicContact CG-CZ 4.2Å
132F92Very high92.4Very high26 Ų2644.2 Ų44.211%0.11424%0.242CC..  trans-78.65.8-171.9-72.9-9.8000114.6E27 P130 T134 L160 K162 V206E27-F132 PolarHBondContact OE2-N 3.38Å; P130-F132 WeakPolarHBondContact O-CD1 3.34Å; P130-F132 PolarHBondContact O-N 3.09Å; F132-T134 VanDerWaalsContact C-N 3.28Å; F132-T134 HydrophobicContact CB-CG2 4.02Å; F132-T134 PolarHBondContact O-N 2.96Å; F132-L160 WeakPolarHBondContact CE1-O 3.12Å; F132-K162 HydrophobicContact CB-CD 4.13Å; F132-K162 HydrophobicContact CB-CG 4.3Å; F132-K162 HydrophobicContact CD2-CD 4Å; F132-K162 HydrophobicContact CD2-CG 3.53Å; F132-K162 HydrophobicContact CE2-CG 3.95Å; F132-K162 HydrophobicContact CG-CD 4.31Å; F132-K162 HydrophobicContact CG-CG 3.96Å; F132-K162 PolarHBondContact O-NZ 3.12Å; F132-V206 HydrophobicContact CE2-CG2 3.86Å; F132-V206 HydrophobicContact CZ-CG1 4.12Å; F132-V206 HydrophobicContact CZ-CG2 3.88Å
133G90.7Very high92.4Very high12 Ų1240.4 Ų40.412%0.12423%0.226CC..  trans60.536.5-178.800000112.8E27 P131 N135 N138E27-G133 WeakPolarHBondContact OE1-CA 3.35Å; E27-G133 PolarHBondContact OE1-N 2.99Å; E27-G133 PolarHBondContact OE2-N 3.08Å; P131-G133 PolarHBondContact O-N 3.25Å; P131-G133 VanDerWaalsContact O-N 3.14Å; G133-N135 VanDerWaalsContact C-N 3.31Å; G133-N138 WeakPolarHBondContact CA-O 3.48Å
134T81.7Confident92.3Very high74 Ų7441.6 Ų41.645%0.45424%0.236SC..  trans-76.1-22.1-178.156.50000112.8E27 F132E27-T134 VanDerWaalsContact CD-OG1 3.27Å; E27-T134 PolarHBondContact OE1-N 3.26Å; E27-T134 VanDerWaalsContact OE1-N 3.1Å; E27-T134 PolarHBondContact OE2-N 2.83Å; E27-T134 PolarHBondContact OE2-OG1 3.3Å; F132-T134 VanDerWaalsContact C-N 3.28Å; F132-T134 HydrophobicContact CB-CG2 4.02Å; F132-T134 PolarHBondContact O-N 2.96Å
135N80.1Confident92.3Very high49 Ų4940.4 Ų40.426%0.26223%0.228SC..SBendtrans-89.8141.4175-66.7-41.3000110.9L24 G133 K137 N138 N139L24-N135 PolarHBondContact O-ND2 3.23Å; G133-N135 VanDerWaalsContact C-N 3.31Å; N135-K137 PolarHBondContact O-N 3.25Å; N135-N138 HydrophobicContact CB-CB 4.47Å; N135-N138 PolarHBondContact O-N 2.91Å; N135-N139 PolarHBondContact O-N 3.38Å
136P79Confident92.3Very high127 Ų12740.4 Ų40.483%0.82523%0.228SC*.G310 helixtrans-55.1-29.6-179.5-28.234.6000115.1N138P136-N138 VanDerWaalsContact C-N 3.29Å
137K81.3Confident92.2Very high203 Ų20346.1 Ų46.188%0.88325%0.25SC*.G310 helixtrans-71.9-22.2176.7-66.8-174.2177.2-175.30113.6N135N135-K137 PolarHBondContact O-N 3.25Å
138N86Confident92.1Very high27 Ų2746.1 Ų46.114%0.14425%0.25CS..G310 helixtrans-106.714.1-174.9-67.7-3.9000111.7E25 E27 G133 N135 P136 G140 I141E25-N138 PolarHBondContact O-ND2 3.14Å; E27-N138 WeakPolarHBondContact OE1-CB 3.05Å; E27-N138 PolarHBondContact OE1-ND2 2.95Å; G133-N138 WeakPolarHBondContact CA-O 3.48Å; N135-N138 HydrophobicContact CB-CB 4.47Å; N135-N138 PolarHBondContact O-N 2.91Å; P136-N138 VanDerWaalsContact C-N 3.29Å; N138-G140 PolarHBondContact O-N 3.39Å; N138-G140 VanDerWaalsContact O-N 3.16Å; N138-I141 HydrophobicContact CB-CB 4.35Å; N138-I141 HydrophobicContact CB-CG2 3.89Å; N138-I141 VanDerWaalsContact O-CB 3.31Å; N138-I141 WeakPolarHBondContact O-CB 3.31Å; N138-I141 WeakPolarHBondContact O-CG2 3.39Å; N138-I141 PolarHBondContact O-N 2.92Å
139N87.9Confident92.1Very high142 Ų14246 Ų4676%0.75925%0.25SC*.THydrogen-bonded Turntrans-60123.8-177.6-168.821.6000110.5N135 I141N135-N139 PolarHBondContact O-N 3.38Å; N139-I141 VanDerWaalsContact C-N 3.35Å
140G93.4Very high92.2Very high31 Ų3145 Ų4532%0.3224%0.244SC..THydrogen-bonded Turntrans80.35.1-177.300000115.7N138 D142 M143 A144N138-G140 PolarHBondContact O-N 3.39Å; N138-G140 VanDerWaalsContact O-N 3.16Å; G140-D142 VanDerWaalsContact C-N 3.27Å; G140-D142 PolarHBondContact O-N 3Å; G140-M143 PolarHBondContact O-N 2.71Å; G140-A144 PolarHBondContact O-N 3.24Å
141I95.6Very high92.2Very high43 Ų4345.3 Ų45.322%0.22125%0.246CC..Hα-helixtrans-62.9-35.3177.2-163.3167.9000111.7P131 N138 N139 M143 A144 F145P131-I141 HydrophobicContact CB-CG2 3.86Å; P131-I141 HydrophobicContact CG-CB 4.47Å; P131-I141 HydrophobicContact CG-CD1 3.78Å; P131-I141 HydrophobicContact CG-CG1 3.95Å; P131-I141 HydrophobicContact CG-CG2 3.7Å; P131-I141 WeakPolarHBondContact O-CG2 3.31Å; N138-I141 HydrophobicContact CB-CB 4.35Å; N138-I141 HydrophobicContact CB-CG2 3.89Å; N138-I141 VanDerWaalsContact O-CB 3.31Å; N138-I141 WeakPolarHBondContact O-CB 3.31Å; N138-I141 WeakPolarHBondContact O-CG2 3.39Å; N138-I141 PolarHBondContact O-N 2.92Å; N139-I141 VanDerWaalsContact C-N 3.35Å; I141-M143 VanDerWaalsContact C-N 3.27Å; I141-M143 PolarHBondContact O-N 3.05Å; I141-A144 WeakPolarHBondContact O-CB 3.43Å; I141-A144 PolarHBondContact O-N 3.4Å; I141-A144 VanDerWaalsContact O-N 3.12Å; I141-F145 HydrophobicContact CD1-CE2 4.16Å; I141-F145 HydrophobicContact CG1-CD2 3.91Å; I141-F145 HydrophobicContact CG1-CE2 3.87Å; I141-F145 WeakPolarHBondContact O-CD2 3.5Å; I141-F145 PolarHBondContact O-N 3.04Å
142D96.3Very high92.3Very high11 Ų1144.5 Ų44.56%0.05924%0.241CC..Hα-helixtrans-59.3-41.3175.661.8-29.5000111.1P130 P131 G140 L146 H161P130-D142 HydrophobicContact CG-CB 4.4Å; P131-D142 WeakPolarHBondContact O-CB 3.49Å; G140-D142 VanDerWaalsContact C-N 3.27Å; G140-D142 PolarHBondContact O-N 3Å; D142-L146 WeakPolarHBondContact O-CB 3.43Å; D142-L146 PolarHBondContact O-N 3.31Å; D142-H161 IonicContact OD2-ND1 3.74Å
143M96.7Very high92.6Very high3 Ų343.2 Ų43.22%0.01524%0.236CC..Hα-helixtrans-73.8-30.1177.1-61.9-60.497.900112.2G140 I141 L146 R147 V169 T172G140-M143 PolarHBondContact O-N 2.71Å; I141-M143 VanDerWaalsContact C-N 3.27Å; I141-M143 PolarHBondContact O-N 3.05Å; M143-L146 HydrophobicContact CE-CD2 4.07Å; M143-L146 HydrophobicContact SD-CD2 4.17Å; M143-R147 WeakPolarHBondContact O-CG 3.25Å; M143-R147 PolarHBondContact O-N 3.32Å; M143-V169 HydrophobicContact CE-CB 4.34Å; M143-V169 HydrophobicContact CE-CG2 3.55Å; M143-V169 HydrophobicContact SD-CG2 4.43Å; M143-T172 HydrophobicContact SD-CG2 4.13Å; M143-T172 PolarHBondContact SD-OG1 2.89Å
144A96.2Very high92.9Very high27 Ų2748 Ų4822%0.22326%0.255CS..Hα-helixtrans-67.7-44.4173.500000111.2V112 G140 I141 R147 A148V112-A144 HydrophobicContact CB-CB 4.47Å; V112-A144 HydrophobicContact CG1-CB 3.78Å; V112-A144 HydrophobicContact CG2-CB 3.81Å; G140-A144 PolarHBondContact O-N 3.24Å; I141-A144 WeakPolarHBondContact O-CB 3.43Å; I141-A144 PolarHBondContact O-N 3.4Å; I141-A144 VanDerWaalsContact O-N 3.12Å; A144-R147 PolarHBondContact O-N 3.48Å; A144-A148 PolarHBondContact O-N 2.82Å
145F98Very high93.7Very high21 Ų2147.6 Ų47.69%0.09225%0.249CC..Hα-helixtrans-60.4-44.5171.6-91.7-111.4000111.9L58 V111 V112 L128 P130 P131 I141 R147 A148 A149L58-F145 HydrophobicContact CB-CD1 4.1Å; L58-F145 HydrophobicContact CB-CE1 4.4Å; V111-F145 HydrophobicContact CG2-CD1 3.9Å; V111-F145 HydrophobicContact CG2-CD2 4.37Å; V111-F145 HydrophobicContact CG2-CE1 3.47Å; V111-F145 VanDerWaalsContact CG2-CE1 3.47Å; V111-F145 HydrophobicContact CG2-CE2 4Å; V111-F145 HydrophobicContact CG2-CG 4.33Å; V111-F145 HydrophobicContact CG2-CZ 3.53Å; V112-F145 HydrophobicContact CG2-CD2 3.58Å; V112-F145 HydrophobicContact CG2-CE2 3.7Å; L128-F145 HydrophobicContact CD1-CB 3.91Å; L128-F145 HydrophobicContact CD1-CD1 4.37Å; P130-F145 HydrophobicContact CB-CB 3.7Å; P130-F145 HydrophobicContact CB-CD1 4Å; P130-F145 HydrophobicContact CB-CG 3.9Å; P131-F145 HydrophobicContact CG-CD2 4.32Å; P131-F145 HydrophobicContact CG-CE2 3.92Å; P131-F145 HydrophobicContact CG-CZ 4.2Å; I141-F145 HydrophobicContact CD1-CE2 4.16Å; I141-F145 HydrophobicContact CG1-CD2 3.91Å; I141-F145 HydrophobicContact CG1-CE2 3.87Å; I141-F145 WeakPolarHBondContact O-CD2 3.5Å; I141-F145 PolarHBondContact O-N 3.04Å; F145-R147 VanDerWaalsContact C-N 3.35Å; F145-R147 PolarHBondContact O-N 2.86Å; F145-A148 WeakPolarHBondContact O-CB 3.44Å; F145-A148 PolarHBondContact O-N 3.2Å; F145-A149 WeakPolarHBondContact O-CB 3.17Å; F145-A149 PolarHBondContact O-N 3.3Å
146L98.1Very high94.6Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-61-42.7177.7-179.459.8000111.9D142 M143 A149 L150 V157 V169 T172 I173D142-L146 WeakPolarHBondContact O-CB 3.43Å; D142-L146 PolarHBondContact O-N 3.31Å; M143-L146 HydrophobicContact CE-CD2 4.07Å; M143-L146 HydrophobicContact SD-CD2 4.17Å; L146-A149 PolarHBondContact O-N 3.42Å; L146-L150 HydrophobicContact CD1-CD1 4.09Å; L146-L150 HydrophobicContact CD1-CG 4.29Å; L146-L150 HydrophobicContact CG-CD1 3.95Å; L146-L150 WeakPolarHBondContact O-CB 3.23Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.27Å; L146-L150 PolarHBondContact O-N 3.16Å; L146-V157 HydrophobicContact CD1-CG1 4.37Å; L146-V169 HydrophobicContact CD2-CG1 3.85Å; L146-T172 HydrophobicContact CD2-CG2 4.16Å; L146-I173 HydrophobicContact CD1-CG1 4.34Å; L146-I173 HydrophobicContact CD2-CD1 4.43Å; L146-I173 HydrophobicContact CD2-CG1 3.99Å; L146-I173 HydrophobicContact CG-CG1 4.46Å
147R97.5Very high95.5Very high121 Ų12140.9 Ų40.946%0.45721%0.205SC..Hα-helixtrans-62.5-43.8174.4-75.9-173.4-176.392.22.8111.9M143 A144 F145 L150 S151 T172M143-R147 WeakPolarHBondContact O-CG 3.25Å; M143-R147 PolarHBondContact O-N 3.32Å; A144-R147 PolarHBondContact O-N 3.48Å; F145-R147 VanDerWaalsContact C-N 3.35Å; F145-R147 PolarHBondContact O-N 2.86Å; R147-L150 PolarHBondContact O-N 2.85Å; R147-S151 VanDerWaalsContact O-CB 3.29Å; R147-S151 WeakPolarHBondContact O-CB 3.44Å; R147-S151 PolarHBondContact O-N 3.02Å; R147-T172 HydrophobicContact CG-CG2 4.23Å
148A97.6Very high96.3Very high3 Ų331.4 Ų31.43%0.02516%0.164CC..Hα-helixtrans-59.9-45.3175.100000111.9L58 F115 A144 F145 L150 S151 I152L58-A148 HydrophobicContact CD1-CB 4.05Å; F115-A148 HydrophobicContact CB-CB 3.83Å; F115-A148 HydrophobicContact CD2-CB 4.35Å; A144-A148 PolarHBondContact O-N 2.82Å; F145-A148 WeakPolarHBondContact O-CB 3.44Å; F145-A148 PolarHBondContact O-N 3.2Å; A148-L150 PolarHBondContact O-N 3.42Å; A148-S151 PolarHBondContact O-N 3.19Å; A148-S151 VanDerWaalsContact O-N 3.12Å; A148-S151 PolarHBondContact O-OG 2.89Å; A148-S151 VanDerWaalsContact O-OG 3.07Å; A148-I152 PolarHBondContact O-N 3.07Å
149A98.4Very high96.9Very high0 Ų030.1 Ų30.10%016%0.157CC..Hα-helixtrans-60.2-48.1176.300000111.7L58 V126 L128 F145 L146 S151 I152 A153 V157L58-A149 HydrophobicContact CD1-CB 3.87Å; V126-A149 HydrophobicContact CB-CB 4.19Å; V126-A149 HydrophobicContact CG1-CB 3.64Å; L128-A149 HydrophobicContact CD1-CB 4.09Å; L128-A149 HydrophobicContact CD2-CB 3.78Å; F145-A149 WeakPolarHBondContact O-CB 3.17Å; F145-A149 PolarHBondContact O-N 3.3Å; L146-A149 PolarHBondContact O-N 3.42Å; A149-S151 PolarHBondContact O-N 3.37Å; A149-I152 PolarHBondContact O-N 2.99Å; A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 2.64Å; A149-A153 VanDerWaalsContact O-N 3.1Å; A149-V157 HydrophobicContact CB-CG1 3.69Å; A149-V157 HydrophobicContact CB-CG2 4.31Å
150L97.7Very high97.4Very high5 Ų523.4 Ų23.43%0.02612%0.121CC..Hα-helixtrans-64.3-23.5176.5-70.8166.1000112.5K121 L146 R147 A148 V157 I173 T176 A178 F213K121-L150 PolarHBondContact NZ-O 3.07Å; L146-L150 HydrophobicContact CD1-CD1 4.09Å; L146-L150 HydrophobicContact CD1-CG 4.29Å; L146-L150 HydrophobicContact CG-CD1 3.95Å; L146-L150 WeakPolarHBondContact O-CB 3.23Å; L146-L150 VanDerWaalsContact O-CG 3.27Å; L146-L150 WeakPolarHBondContact O-CG 3.27Å; L146-L150 PolarHBondContact O-N 3.16Å; R147-L150 PolarHBondContact O-N 2.85Å; A148-L150 PolarHBondContact O-N 3.42Å; L150-V157 HydrophobicContact CD2-CB 4.31Å; L150-V157 HydrophobicContact CD2-CG2 3.91Å; L150-V157 HydrophobicContact CG-CG2 4.38Å; L150-I173 HydrophobicContact CD1-CG1 4.13Å; L150-T176 HydrophobicContact CD1-CG2 4.13Å; L150-A178 HydrophobicContact CD2-CB 3.99Å; L150-F213 HydrophobicContact CB-CZ 4.3Å; L150-F213 HydrophobicContact CD2-CE1 4.42Å; L150-F213 HydrophobicContact CD2-CZ 3.87Å; L150-F213 WeakPolarHBondContact O-CZ 3.34Å
151S96.6Very high97.5Very high9 Ų921.9 Ų21.96%0.06311%0.106CC..Hα-helixtrans-83.8-20.1-177.691.40000112.9F115 N118 K121 R147 A148 A149F115-S151 PolarHBondContact O-OG 3.5Å; N118-S151 CarbonylContact O-C 3.52Å; N118-S151 WeakPolarHBondContact O-CB 3.21Å; N118-S151 PolarHBondContact O-OG 3.02Å; K121-S151 WeakPolarHBondContact CD-O 3.47Å; R147-S151 VanDerWaalsContact O-CB 3.29Å; R147-S151 WeakPolarHBondContact O-CB 3.44Å; R147-S151 PolarHBondContact O-N 3.02Å; A148-S151 PolarHBondContact O-N 3.19Å; A148-S151 VanDerWaalsContact O-N 3.12Å; A148-S151 PolarHBondContact O-OG 2.89Å; A148-S151 VanDerWaalsContact O-OG 3.07Å; A149-S151 PolarHBondContact O-N 3.37Å
152I97.5Very high97.4Very high0 Ų021.8 Ų21.80%010%0.104CC..Hα-helixtrans-109.5-20-178.271.5176.9000114.6A56 L58 F115 K121 F122 V123 V126 A148 A149A56-I152 HydrophobicContact CB-CD1 4.14Å; L58-I152 HydrophobicContact CD1-CD1 4.42Å; L58-I152 HydrophobicContact CD2-CD1 4.02Å; F115-I152 HydrophobicContact CB-CG2 4.12Å; F115-I152 HydrophobicContact CD1-CG2 3.48Å; F115-I152 VanDerWaalsContact CD1-CG2 3.48Å; F115-I152 HydrophobicContact CD2-CD1 4.29Å; F115-I152 HydrophobicContact CD2-CG2 4.17Å; F115-I152 HydrophobicContact CE1-CG2 3.86Å; F115-I152 HydrophobicContact CE2-CD1 4Å; F115-I152 HydrophobicContact CE2-CG2 4.48Å; F115-I152 HydrophobicContact CG-CG2 3.66Å; F115-I152 HydrophobicContact CZ-CD1 4.26Å; F115-I152 HydrophobicContact CZ-CG2 4.34Å; K121-I152 CarbonylContact C-O 3.47Å; K121-I152 VanDerWaalsContact CA-O 3.32Å; K121-I152 WeakPolarHBondContact CA-O 3.42Å; F122-I152 HydrophobicContact CD1-CB 4.06Å; F122-I152 HydrophobicContact CD1-CG2 4.26Å; F122-I152 HydrophobicContact CE1-CB 3.57Å; F122-I152 HydrophobicContact CE1-CD1 4.41Å; F122-I152 HydrophobicContact CE1-CG2 3.51Å; F122-I152 HydrophobicContact CZ-CB 4.11Å; F122-I152 HydrophobicContact CZ-CD1 4.11Å; F122-I152 HydrophobicContact CZ-CG2 4.22Å; F122-I152 PolarHBondContact N-O 3.37Å; V123-I152 HydrophobicContact CG2-CD1 4.3Å; V123-I152 HydrophobicContact CG2-CG1 4.11Å; V123-I152 PolarHBondContact N-O 3.29Å; V126-I152 HydrophobicContact CG2-CD1 3.96Å; V126-I152 HydrophobicContact CG2-CG1 3.62Å; A148-I152 PolarHBondContact O-N 3.07Å; A149-I152 PolarHBondContact O-N 2.99Å
153A98Very high97.3Very high0 Ų023 Ų230%011%0.112CC..EExtended strand (participates in β ladder)trans-75.7131.1-179.900000112.5K121 V123 V126 A149 V157 F213K121-A153 VanDerWaalsContact CD-O 3.26Å; K121-A153 WeakPolarHBondContact CD-O 3.49Å; K121-A153 WeakPolarHBondContact CE-O 3.43Å; K121-A153 PolarHBondContact NZ-O 3.34Å; V123-A153 CarbonylContact O-C 3.55Å; V123-A153 WeakPolarHBondContact O-CA 3.29Å; V126-A153 HydrophobicContact CB-CB 4.35Å; V126-A153 HydrophobicContact CG2-CB 3.61Å; A149-A153 WeakPolarHBondContact O-CB 3.43Å; A149-A153 PolarHBondContact O-N 2.64Å; A149-A153 VanDerWaalsContact O-N 3.1Å; A153-V157 HydrophobicContact CB-CG2 3.43Å; A153-V157 VanDerWaalsContact CB-CG2 3.43Å; A153-F213 HydrophobicContact CB-CE2 4.13Å; A153-F213 WeakPolarHBondContact O-CE2 3.46Å
154H97.1Very high97.2Very high112 Ų11229.1 Ų29.152%0.51915%0.149SC..EExtended strand (participates in β ladder)trans-82.1-40.4173.3-171.3-84.6000111.8K121 V123K121-H154 HydrophobicContact CB-CB 4.28Å; V123-H154 WeakPolarHBondContact O-CB 3.33Å; V123-H154 PolarHBondContact O-N 3.04Å
155L98.1Very high97.1Very high65 Ų6529.3 Ų29.334%0.3415%0.148SC..EExtended strand (participates in β ladder)trans-118.3-55.3-172.7-57.3177.2000112.8D124 W212D124-L155 HydrophobicContact CB-CD1 4.26Å; D124-L155 WeakPolarHBondContact O-CA 3.35Å; D124-L155 WeakPolarHBondContact O-CB 3.32Å; D124-L155 PolarHBondContact O-N 2.93Å; L155-W212 WeakPolarHBondContact O-CA 3.35Å; L155-W212 WeakPolarHBondContact O-CB 3.46Å
156H98.7Very high97.1Very high36 Ų3631.3 Ų31.317%0.16716%0.155CC..EExtended strand (participates in β ladder)trans-134.3142.5-166-57.1-61.1000113.4A49 D124 T125 V126 Y158 H210 S211A49-H156 HydrophobicContact CB-CB 4.42Å; A49-H156 VanDerWaalsContact CB-CD2 3.49Å; A49-H156 WeakPolarHBondContact CB-CD2 3.41Å; D124-H156 PolarHBondContact O-N 2.83Å; T125-H156 CarbonylContact C-O 3.52Å; T125-H156 WeakPolarHBondContact CA-O 3.31Å; T125-H156 HydrophobicContact CG2-CB 4.18Å; V126-H156 PolarHBondContact N-O 2.78Å; H156-Y158 HydrophobicContact CB-CD2 4.27Å; H156-Y158 HydrophobicContact CB-CE2 3.58Å; H156-H210 AromaticContact CG-NE2 3.91Å; H156-H210 AromaticContact ND1-CE1 4Å; H156-H210 AromaticContact ND1-NE2 3.19Å; H156-H210 PolarHBondContact ND1-NE2 3.02Å; H156-H210 VanDerWaalsContact ND1-NE2 3.19Å; H156-S211 WeakPolarHBondContact CA-O 3.49Å
157V98.8Very high97.1Very high0 Ų037.8 Ų37.80%019%0.189CC..EExtended strand (participates in β ladder)trans-126.9127.6166.41800000109.3V126 L128 L146 A149 L150 A153 H210 S211V126-V157 HydrophobicContact CB-CG2 4.29Å; V126-V157 CarbonylContact O-C 3.35Å; V126-V157 VanDerWaalsContact O-CA 3.3Å; V126-V157 WeakPolarHBondContact O-CA 3.31Å; L128-V157 HydrophobicContact CD2-CG1 3.77Å; L146-V157 HydrophobicContact CD1-CG1 4.37Å; A149-V157 HydrophobicContact CB-CG1 3.69Å; A149-V157 HydrophobicContact CB-CG2 4.31Å; L150-V157 HydrophobicContact CD2-CB 4.31Å; L150-V157 HydrophobicContact CD2-CG2 3.91Å; L150-V157 HydrophobicContact CG-CG2 4.38Å; A153-V157 HydrophobicContact CB-CG2 3.43Å; A153-V157 VanDerWaalsContact CB-CG2 3.43Å; V157-H210 CarbonylContact O-C 3.58Å; V157-H210 WeakPolarHBondContact O-CA 3.38Å; V157-S211 PolarHBondContact N-O 3.12Å; V157-S211 PolarHBondContact O-N 3.07Å
158Y98.8Very high97.1Very high3 Ų337 Ų371%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-119.9110.9174.8-64-83.1000110I43 D47 A49 T125 V126 I127 L128 H156 V209 H210I43-Y158 HydrophobicContact CB-CE1 4.45Å; I43-Y158 HydrophobicContact CB-CE2 4.45Å; I43-Y158 HydrophobicContact CD1-CD1 3.9Å; I43-Y158 HydrophobicContact CD1-CD2 3.9Å; I43-Y158 HydrophobicContact CD1-CE1 4.49Å; I43-Y158 HydrophobicContact CD1-CE2 4.49Å; I43-Y158 HydrophobicContact CD1-CG 3.56Å; I43-Y158 HydrophobicContact CG1-CD1 3.59Å; I43-Y158 HydrophobicContact CG1-CD2 4.06Å; I43-Y158 HydrophobicContact CG1-CE1 3.75Å; I43-Y158 HydrophobicContact CG1-CE2 4.21Å; I43-Y158 HydrophobicContact CG1-CG 3.74Å; I43-Y158 HydrophobicContact CG2-CD2 3.92Å; I43-Y158 HydrophobicContact CG2-CE1 4.27Å; I43-Y158 HydrophobicContact CG2-CE2 3.49Å; I43-Y158 VanDerWaalsContact CG2-CE2 3.49Å; I43-Y158 HydrophobicContact CG2-CG 4.46Å; D47-Y158 WeakPolarHBondContact CB-OH 3.42Å; D47-Y158 PolarHBondContact OD2-OH 2.88Å; A49-Y158 HydrophobicContact CB-CE2 3.81Å; T125-Y158 HydrophobicContact CG2-CD2 3.91Å; T125-Y158 HydrophobicContact CG2-CE2 4.02Å; V126-Y158 PolarHBondContact O-N 2.83Å; I127-Y158 CarbonylContact C-O 3.52Å; I127-Y158 WeakPolarHBondContact CA-O 3.37Å; I127-Y158 HydrophobicContact CG2-CD2 4.44Å; L128-Y158 PolarHBondContact N-O 3.36Å; H156-Y158 HydrophobicContact CB-CD2 4.27Å; H156-Y158 HydrophobicContact CB-CE2 3.58Å; Y158-V209 WeakPolarHBondContact CA-O 3.4Å; Y158-H210 HydrophobicContact CD1-CB 3.91Å; Y158-H210 AromaticContact CD1-CD2 3.8Å; Y158-H210 HydrophobicContact CE1-CB 3.72Å; Y158-H210 AromaticContact CE1-CD2 3.16Å; Y158-H210 WeakPolarHBondContact CE1-CD2 3.45Å; Y158-H210 AromaticContact CE1-CG 3.48Å; Y158-H210 VanDerWaalsContact CE1-CG 3.48Å; Y158-H210 AromaticContact CE1-NE2 3.7Å; Y158-H210 AromaticContact CZ-CD2 3.32Å; Y158-H210 AromaticContact CZ-NE2 3.43Å; Y158-H210 PolarHBondContact OH-CD2 3.36Å; Y158-H210 PolarHBondContact OH-NE2 3.4Å; Y158-H210 VanDerWaalsContact OH-NE2 3.08Å
159S98.6Very high97.2Very high0 Ų036.9 Ų36.90%019%0.19CC..EExtended strand (participates in β ladder)trans-125.8136.5-170.554.40000111.7L128 H161 V209L128-S159 WeakPolarHBondContact O-CA 3.44Å; S159-H161 WeakPolarHBondContact CB-NE2 3.36Å; S159-H161 PolarHBondContact OG-CD2 3.24Å; S159-H161 PolarHBondContact OG-NE2 3.35Å; S159-V209 PolarHBondContact N-O 3.12Å; S159-V209 PolarHBondContact O-N 3.49Å; S159-V209 PolarHBondContact OG-O 3.18Å
160L96.8Very high97.2Very high1 Ų138.8 Ų38.81%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-89.6129.6173-67177.6000110.5I39 L128 N129 P130 F132 L186 Y188 V206 D207 L208I39-L160 HydrophobicContact CD1-CD1 4.38Å; L128-L160 PolarHBondContact O-N 2.96Å; N129-L160 HydrophobicContact CB-CD1 3.95Å; P130-L160 VanDerWaalsContact CD-O 3.28Å; P130-L160 WeakPolarHBondContact CD-O 3.19Å; F132-L160 WeakPolarHBondContact CE1-O 3.12Å; L160-L186 HydrophobicContact CD2-CD1 3.71Å; L160-Y188 HydrophobicContact CD1-CE2 4.49Å; L160-V206 HydrophobicContact CB-CG1 3.87Å; L160-V206 HydrophobicContact CD2-CG1 3.9Å; L160-V206 HydrophobicContact CG-CG1 4.38Å; L160-D207 WeakPolarHBondContact CA-O 3.46Å; L160-L208 HydrophobicContact CD2-CB 4.05Å; L160-L208 HydrophobicContact CD2-CD1 3.8Å; L160-L208 HydrophobicContact CG-CD1 4.43Å
161H95.9Very high97.2Very high0 Ų044.1 Ų44.10%022%0.224CC..EExtended strand (participates in β ladder)trans-141150.8177.8-67.4-76.7000111.2D142 S159 T163 V169 V206 D207D142-H161 IonicContact OD2-ND1 3.74Å; S159-H161 WeakPolarHBondContact CB-NE2 3.36Å; S159-H161 PolarHBondContact OG-CD2 3.24Å; S159-H161 PolarHBondContact OG-NE2 3.35Å; H161-T163 PolarHBondContact O-N 2.96Å; H161-V169 HydrophobicContact CB-CG2 3.68Å; H161-V169 VanDerWaalsContact CG-CG2 3.49Å; H161-V206 CarbonylContact O-C 3.53Å; H161-V206 VanDerWaalsContact O-CA 3.31Å; H161-V206 WeakPolarHBondContact O-CA 3.33Å; H161-V206 WeakPolarHBondContact O-CG1 3.49Å; H161-D207 PolarHBondContact N-O 2.84Å; H161-D207 PolarHBondContact O-N 3.2Å
162K93.8Very high97.2Very high40 Ų4043.7 Ų43.717%0.17422%0.221CC..EExtended strand (participates in β ladder)trans-56.7134.4171.8-66.4175.9-64.6-160.80109.6F132 T164 T165 I204F132-K162 HydrophobicContact CB-CD 4.13Å; F132-K162 HydrophobicContact CB-CG 4.3Å; F132-K162 HydrophobicContact CD2-CD 4Å; F132-K162 HydrophobicContact CD2-CG 3.53Å; F132-K162 HydrophobicContact CE2-CG 3.95Å; F132-K162 HydrophobicContact CG-CD 4.31Å; F132-K162 HydrophobicContact CG-CG 3.96Å; F132-K162 PolarHBondContact O-NZ 3.12Å; K162-T164 PolarHBondContact O-N 3.13Å; K162-T165 HydrophobicContact CB-CG2 4.5Å; K162-T165 PolarHBondContact O-N 3.46Å; K162-T165 PolarHBondContact O-OG1 3.34Å; K162-I204 HydrophobicContact CG-CG2 4.12Å
163T94.8Very high97.3Very high38 Ų3843.7 Ų43.723%0.23322%0.221CC..G310 helixtrans-55.8-30.7178-56.60000112.2H161 T165 R166 A205 V206 D207H161-T163 PolarHBondContact O-N 2.96Å; T163-T165 PolarHBondContact O-N 2.91Å; T163-R166 VanDerWaalsContact O-CB 3.24Å; T163-R166 WeakPolarHBondContact O-CB 3.49Å; T163-R166 PolarHBondContact O-N 2.92Å; T163-A205 PolarHBondContact N-O 3.45Å; T163-A205 VanDerWaalsContact OG1-C 3.25Å; T163-A205 WeakPolarHBondContact OG1-CB 3.24Å; T163-A205 PolarHBondContact OG1-O 2.93Å; T163-V206 PolarHBondContact OG1-N 2.79Å; T163-D207 WeakPolarHBondContact CB-OD1 3.31Å; T163-D207 WeakPolarHBondContact CG2-OD1 3.34Å; T163-D207 PolarHBondContact OG1-OD1 2.91Å
164T94.2Very high97.3Very high131 Ų13149.8 Ų49.880%0.80425%0.249SC*.G310 helixtrans-64.4-20.6175.756.20000114.3K162K162-T164 PolarHBondContact O-N 3.13Å
165T95Very high97.2Very high30 Ų3048 Ų4818%0.18425%0.249CC..G310 helixtrans-99.10.1177.961.50000113.2K162 T163 N167 H168 V169K162-T165 HydrophobicContact CB-CG2 4.5Å; K162-T165 PolarHBondContact O-N 3.46Å; K162-T165 PolarHBondContact O-OG1 3.34Å; T163-T165 PolarHBondContact O-N 2.91Å; T165-N167 VanDerWaalsContact C-N 3.33Å; T165-N167 PolarHBondContact O-N 2.78Å; T165-N167 VanDerWaalsContact O-N 3.13Å; T165-H168 WeakPolarHBondContact O-CA 3.3Å; T165-H168 WeakPolarHBondContact O-CB 3.33Å; T165-H168 PolarHBondContact O-N 3.05Å; T165-V169 WeakPolarHBondContact O-CG2 3.45Å; T165-V169 PolarHBondContact O-N 3.4Å
166R97.4Very high97Very high63 Ų6347.7 Ų47.724%0.23825%0.251CS..Hα-helixtrans-40.4-53.7-178.4179.5-176.8-62.6-167.8-7.1114.2T163 H168 V169 L170 V182 E185 D207T163-R166 VanDerWaalsContact O-CB 3.24Å; T163-R166 WeakPolarHBondContact O-CB 3.49Å; T163-R166 PolarHBondContact O-N 2.92Å; R166-H168 VanDerWaalsContact C-N 3.3Å; R166-H168 PolarHBondContact O-N 3.14Å; R166-V169 WeakPolarHBondContact O-CB 3.5Å; R166-V169 PolarHBondContact O-N 3.3Å; R166-L170 HydrophobicContact CG-CD1 4.01Å; R166-L170 HydrophobicContact CG-CG 4.49Å; R166-L170 WeakPolarHBondContact O-CG 3.33Å; R166-L170 PolarHBondContact O-N 2.74Å; R166-V182 HydrophobicContact CG-CG2 3.84Å; R166-E185 IonicContact CZ-OE1 3.41Å; R166-E185 IonicContact NH1-OE1 3.15Å; R166-E185 PolarHBondContact NH1-OE1 3.48Å; R166-E185 VanDerWaalsContact NH1-OE1 3.15Å; R166-E185 VanDerWaalsContact NH2-CD 3.31Å; R166-E185 IonicContact NH2-OE1 2.72Å; R166-E185 PolarHBondContact NH2-OE1 3.25Å; R166-D207 IonicContact CZ-OD1 3.79Å; R166-D207 IonicContact CZ-OD2 3.23Å; R166-D207 VanDerWaalsContact CZ-OD2 3.23Å; R166-D207 IonicContact NE-OD1 3.99Å; R166-D207 IonicContact NE-OD2 2.68Å; R166-D207 PolarHBondContact NE-OD2 3.44Å; R166-D207 IonicContact NH2-OD1 2.79Å; R166-D207 PolarHBondContact NH2-OD1 3.33Å; R166-D207 IonicContact NH2-OD2 2.97Å; R166-D207 PolarHBondContact NH2-OD2 3.48Å
167N97.9Very high96.8Very high137 Ų13749 Ų4973%0.73327%0.274SS*.Hα-helixtrans-63.6-36.8-177.2-69.8-19.7000112.2T165 H171T165-N167 VanDerWaalsContact C-N 3.33Å; T165-N167 PolarHBondContact O-N 2.78Å; T165-N167 VanDerWaalsContact O-N 3.13Å; N167-H171 VanDerWaalsContact O-CB 3.26Å; N167-H171 WeakPolarHBondContact O-CB 3.34Å; N167-H171 PolarHBondContact O-N 3.19Å
168H97.5Very high96.7Very high105 Ų10549.2 Ų49.249%0.48628%0.276SS..Hα-helixtrans-71.9-39.1177.8-169.558000111.8T165 R166 H171 T172T165-H168 WeakPolarHBondContact O-CA 3.3Å; T165-H168 WeakPolarHBondContact O-CB 3.33Å; T165-H168 PolarHBondContact O-N 3.05Å; R166-H168 VanDerWaalsContact C-N 3.3Å; R166-H168 PolarHBondContact O-N 3.14Å; H168-H171 PolarHBondContact O-N 2.86Å; H168-T172 WeakPolarHBondContact O-CB 3.35Å; H168-T172 PolarHBondContact O-N 2.89Å; H168-T172 PolarHBondContact O-OG1 3.36Å
169V98.5Very high96.7Very high0 Ų054.2 Ų54.20%030%0.299CS..Hα-helixtrans-59.3-54173.8175.90000110.1M143 L146 H161 T165 R166 H171 T172 I173 V209M143-V169 HydrophobicContact CE-CB 4.34Å; M143-V169 HydrophobicContact CE-CG2 3.55Å; M143-V169 HydrophobicContact SD-CG2 4.43Å; L146-V169 HydrophobicContact CD2-CG1 3.85Å; H161-V169 HydrophobicContact CB-CG2 3.68Å; H161-V169 VanDerWaalsContact CG-CG2 3.49Å; T165-V169 WeakPolarHBondContact O-CG2 3.45Å; T165-V169 PolarHBondContact O-N 3.4Å; R166-V169 WeakPolarHBondContact O-CB 3.5Å; R166-V169 PolarHBondContact O-N 3.3Å; V169-H171 VanDerWaalsContact C-N 3.34Å; V169-H171 PolarHBondContact O-N 3.5Å; V169-T172 WeakPolarHBondContact O-CB 3.33Å; V169-T172 PolarHBondContact O-N 2.92Å; V169-T172 VanDerWaalsContact O-N 3.11Å; V169-I173 HydrophobicContact CG1-CD1 3.86Å; V169-I173 WeakPolarHBondContact O-CG1 3.38Å; V169-I173 PolarHBondContact O-N 2.8Å; V169-V209 HydrophobicContact CG1-CB 4.33Å; V169-V209 HydrophobicContact CG1-CG1 4.1Å; V169-V209 HydrophobicContact CG1-CG2 4.02Å
170L98.7Very high96.7Very high39 Ų3955.3 Ų55.320%0.20431%0.31CS..Hα-helixtrans-62.5-39.7-179.8-66.4177.3000112.4R166 T172 I173 Q174 V209R166-L170 HydrophobicContact CG-CD1 4.01Å; R166-L170 HydrophobicContact CG-CG 4.49Å; R166-L170 WeakPolarHBondContact O-CG 3.33Å; R166-L170 PolarHBondContact O-N 2.74Å; L170-T172 VanDerWaalsContact C-N 3.34Å; L170-I173 HydrophobicContact CD2-CD1 4.31Å; L170-I173 PolarHBondContact O-N 3.22Å; L170-Q174 WeakPolarHBondContact O-CG 3.43Å; L170-Q174 PolarHBondContact O-N 3.06Å; L170-V209 HydrophobicContact CD2-CG1 4.1Å
171H98.3Very high96.7Very high117 Ų11759.9 Ų59.954%0.54233%0.33SS..Hα-helixtrans-63.9-40.1174.2-176.567.5000112N167 H168 V169 Q174 S175N167-H171 VanDerWaalsContact O-CB 3.26Å; N167-H171 WeakPolarHBondContact O-CB 3.34Å; N167-H171 PolarHBondContact O-N 3.19Å; H168-H171 PolarHBondContact O-N 2.86Å; V169-H171 VanDerWaalsContact C-N 3.34Å; V169-H171 PolarHBondContact O-N 3.5Å; H171-Q174 PolarHBondContact O-N 3.37Å; H171-S175 WeakPolarHBondContact O-CB 3.44Å; H171-S175 PolarHBondContact O-N 2.86Å
172T97.5Very high96.8Very high1 Ų161.7 Ų61.71%0.00634%0.341CS..Hα-helixtrans-63-45.3176.6-62.80000111M143 L146 R147 H168 V169 L170 Q174 S175 T176M143-T172 HydrophobicContact SD-CG2 4.13Å; M143-T172 PolarHBondContact SD-OG1 2.89Å; L146-T172 HydrophobicContact CD2-CG2 4.16Å; R147-T172 HydrophobicContact CG-CG2 4.23Å; H168-T172 WeakPolarHBondContact O-CB 3.35Å; H168-T172 PolarHBondContact O-N 2.89Å; H168-T172 PolarHBondContact O-OG1 3.36Å; V169-T172 WeakPolarHBondContact O-CB 3.33Å; V169-T172 PolarHBondContact O-N 2.92Å; V169-T172 VanDerWaalsContact O-N 3.11Å; L170-T172 VanDerWaalsContact C-N 3.34Å; T172-Q174 PolarHBondContact O-N 3.5Å; T172-S175 PolarHBondContact O-N 2.82Å; T172-S175 PolarHBondContact O-OG 3.45Å; T172-T176 PolarHBondContact O-N 3.28Å
173I98.5Very high96.9Very high0 Ų061.9 Ų61.90%035%0.346CS..Hα-helixtrans-58.1-48.6175-65.8157.6000110.9L146 L150 V169 L170 S175 T176 A178 Q179 V209 S211L146-I173 HydrophobicContact CD1-CG1 4.34Å; L146-I173 HydrophobicContact CD2-CD1 4.43Å; L146-I173 HydrophobicContact CD2-CG1 3.99Å; L146-I173 HydrophobicContact CG-CG1 4.46Å; L150-I173 HydrophobicContact CD1-CG1 4.13Å; V169-I173 HydrophobicContact CG1-CD1 3.86Å; V169-I173 WeakPolarHBondContact O-CG1 3.38Å; V169-I173 PolarHBondContact O-N 2.8Å; L170-I173 HydrophobicContact CD2-CD1 4.31Å; L170-I173 PolarHBondContact O-N 3.22Å; I173-S175 VanDerWaalsContact C-N 3.27Å; I173-S175 PolarHBondContact O-N 3.39Å; I173-T176 PolarHBondContact O-N 3.45Å; I173-T176 VanDerWaalsContact O-N 3.15Å; I173-T176 PolarHBondContact O-OG1 3.19Å; I173-A178 HydrophobicContact CG2-CB 3.73Å; I173-A178 PolarHBondContact O-N 3.17Å; I173-Q179 WeakPolarHBondContact CG2-O 3.36Å; I173-V209 HydrophobicContact CD1-CG1 3.59Å; I173-S211 WeakPolarHBondContact CD1-OG 2.87Å; I173-S211 WeakPolarHBondContact CG1-OG 3.42Å
174Q97.7Very high96.7Very high127 Ų12761.4 Ų61.459%0.59335%0.345SS*.Hα-helixtrans-61.7-35.8178-72.7175.8-12.600112.5L170 H171 T172 T176 G177L170-Q174 WeakPolarHBondContact O-CG 3.43Å; L170-Q174 PolarHBondContact O-N 3.06Å; H171-Q174 PolarHBondContact O-N 3.37Å; T172-Q174 PolarHBondContact O-N 3.5Å; Q174-T176 PolarHBondContact O-N 3.24Å; Q174-G177 PolarHBondContact O-N 3.42Å
175S95.9Very high96.5Very high74 Ų7461.5 Ų61.552%0.51734%0.337SS..Hα-helixtrans-65.5-20.417978.20000113.7H171 T172 I173 G177H171-S175 WeakPolarHBondContact O-CB 3.44Å; H171-S175 PolarHBondContact O-N 2.86Å; T172-S175 PolarHBondContact O-N 2.82Å; T172-S175 PolarHBondContact O-OG 3.45Å; I173-S175 VanDerWaalsContact C-N 3.27Å; I173-S175 PolarHBondContact O-N 3.39Å; S175-G177 VanDerWaalsContact C-N 3.34Å
176T93Very high96.1Very high60 Ų6061.6 Ų61.637%0.36834%0.336SS..THydrogen-bonded Turntrans-91.44.9173.970.30000112.9L150 T172 I173 Q174 A178L150-T176 HydrophobicContact CD1-CG2 4.13Å; T172-T176 PolarHBondContact O-N 3.28Å; I173-T176 PolarHBondContact O-N 3.45Å; I173-T176 VanDerWaalsContact O-N 3.15Å; I173-T176 PolarHBondContact O-OG1 3.19Å; Q174-T176 PolarHBondContact O-N 3.24Å; T176-A178 VanDerWaalsContact C-N 3.26Å; T176-A178 PolarHBondContact O-N 2.65Å
177G94.3Very high95.1Very high63 Ų6368.1 Ų68.165%0.64936%0.361SS*.THydrogen-bonded Turntrans78.64.7-17500000114.6Q174 S175Q174-G177 PolarHBondContact O-N 3.42Å; S175-G177 VanDerWaalsContact C-N 3.34Å
178A97.4Very high93.5Very high5 Ų562.1 Ų62.14%0.04133%0.328CS..  trans-86.3159176.800000111.4L150 I173 T176 W212 F213L150-A178 HydrophobicContact CD2-CB 3.99Å; I173-A178 HydrophobicContact CG2-CB 3.73Å; I173-A178 PolarHBondContact O-N 3.17Å; T176-A178 VanDerWaalsContact C-N 3.26Å; T176-A178 PolarHBondContact O-N 2.65Å; A178-W212 WeakPolarHBondContact CA-O 3.34Å; A178-W212 WeakPolarHBondContact CB-O 3.06Å; A178-F213 HydrophobicContact CB-CD1 4.02Å; A178-F213 HydrophobicContact CB-CE1 3.85Å; A178-F213 HydrophobicContact CB-CZ 4.47Å
179Q98.6Very high92.1Very high108 Ų10861.9 Ų61.951%0.50533%0.33SS..EExtended strand (participates in β ladder)trans-94.5150.3168-60.7-174.72.900109.4I173 S211 W212I173-Q179 WeakPolarHBondContact CG2-O 3.36Å; Q179-S211 CarbonylContact O-C 3.54Å; Q179-S211 WeakPolarHBondContact O-CA 3.41Å; Q179-S211 WeakPolarHBondContact O-CB 3.48Å; Q179-W212 HydrophobicContact CB-CD2 4.02Å; Q179-W212 VanDerWaalsContact CB-CE2 3.46Å; Q179-W212 HydrophobicContact CB-CG 4.45Å; Q179-W212 HydrophobicContact CB-CH2 4.18Å; Q179-W212 HydrophobicContact CB-CZ2 3.57Å; Q179-W212 HydrophobicContact CG-CZ2 4.5Å; Q179-W212 PolarHBondContact N-O 3.08Å; Q179-W212 PolarHBondContact O-N 2.74Å; Q179-W212 VanDerWaalsContact OE1-CE2 3.28Å; Q179-W212 VanDerWaalsContact OE1-CZ2 3.27Å
180G98.4Very high90.2Very high23 Ų2362.8 Ų62.824%0.23734%0.335CS..EExtended strand (participates in β ladder)trans-156.9150.1176.800000113.6H210G180-H210 CarbonylContact C-O 3.52Å; G180-H210 WeakPolarHBondContact CA-O 3.21Å
181K98.1Very high88.1Confident96 Ų9664.2 Ų64.242%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-147.8155176.772.2-169.9169.8-179.70110.9V183 V209 H210 W212K181-V183 HydrophobicContact CD-CG1 4.18Å; K181-V183 HydrophobicContact CG-CG1 3.78Å; K181-V209 WeakPolarHBondContact O-CA 3.26Å; K181-H210 PolarHBondContact N-O 2.97Å; K181-H210 PolarHBondContact O-N 3.4Å; K181-W212 HydrophobicContact CB-CH2 4.44Å; K181-W212 HydrophobicContact CD-CH2 3.89Å; K181-W212 HydrophobicContact CD-CZ3 4.06Å; K181-W212 HydrophobicContact CG-CH2 4.09Å; K181-W212 HydrophobicContact CG-CZ3 3.92Å
182V97.6Very high85.9Confident39 Ų3965 Ų6524%0.23635%0.345CS..EExtended strand (participates in β ladder)trans-75.1127.1165.4-179.60000108.3R166 A184 E185 D207 V209R166-V182 HydrophobicContact CG-CG2 3.84Å; V182-A184 WeakPolarHBondContact CG1-O 3.4Å; V182-E185 HydrophobicContact CG1-CG 4.24Å; V182-D207 HydrophobicContact CG1-CB 3.9Å; V182-D207 HydrophobicContact CG2-CB 4.17Å; V182-V209 HydrophobicContact CG2-CG2 4.31Å
183V95.4Very high83.8Confident44 Ų4468 Ų6827%0.26736%0.36SS..EExtended strand (participates in β ladder)trans-108.9-22.9180-68.50000113K181 L208 H210K181-V183 HydrophobicContact CD-CG1 4.18Å; K181-V183 HydrophobicContact CG-CG1 3.78Å; V183-L208 HydrophobicContact CG2-CB 4.12Å; V183-L208 HydrophobicContact CG2-CD2 3.72Å; V183-L208 HydrophobicContact CG2-CG 3.68Å; V183-L208 WeakPolarHBondContact CG2-O 3.35Å; V183-L208 PolarHBondContact N-O 3.31Å; V183-H210 HydrophobicContact CB-CB 4.48Å; V183-H210 HydrophobicContact CG1-CB 3.57Å; V183-H210 HydrophobicContact CG2-CB 4.05Å
184A91.2Very high81.6Confident27 Ų2769.2 Ų69.222%0.22337%0.365CS..EExtended strand (participates in β ladder)trans-148.6147.817100000111.1V182 L186 D207 L208V182-A184 WeakPolarHBondContact CG1-O 3.4Å; A184-L186 HydrophobicContact CB-CD2 4.25Å; A184-D207 WeakPolarHBondContact O-CA 3.34Å; A184-L208 HydrophobicContact CB-CB 4.09Å; A184-L208 PolarHBondContact N-O 2.98Å; A184-L208 PolarHBondContact O-N 3.28Å
185E89.9Confident79.3Confident134 Ų13473.2 Ų73.263%0.62638%0.381SS*.EExtended strand (participates in β ladder)trans-108.6123.9167.6-59.5-173.917700107.7R166 V182R166-E185 IonicContact CZ-OE1 3.41Å; R166-E185 IonicContact NH1-OE1 3.15Å; R166-E185 PolarHBondContact NH1-OE1 3.48Å; R166-E185 VanDerWaalsContact NH1-OE1 3.15Å; R166-E185 VanDerWaalsContact NH2-CD 3.31Å; R166-E185 IonicContact NH2-OE1 2.72Å; R166-E185 PolarHBondContact NH2-OE1 3.25Å; V182-E185 HydrophobicContact CG1-CG 4.24Å
186L85.8Confident77.1Confident31 Ų3180.4 Ų80.416%0.16240%0.396CS..EExtended strand (participates in β ladder)trans-117.3150.1-172.2-55172.2000109.6V35 I39 L160 A184 V206 L208V35-L186 HydrophobicContact CG1-CD1 4.16Å; I39-L186 HydrophobicContact CG2-CD1 3.64Å; L160-L186 HydrophobicContact CD2-CD1 3.71Å; A184-L186 HydrophobicContact CB-CD2 4.25Å; L186-V206 WeakPolarHBondContact CA-O 3.23Å; L186-V206 WeakPolarHBondContact CB-O 3.4Å; L186-V206 PolarHBondContact N-O 3.04Å; L186-V206 PolarHBondContact O-N 3.26Å; L186-L208 HydrophobicContact CD1-CB 4.44Å
187R76.3Confident74.9Confident201 Ų20180 Ų8076%0.75839%0.39SS*.EExtended strand (participates in β ladder)trans-104.4115.6165.6-66.2-170.3178.7-160.50.5108
188Y64.8Low72.7Confident10 Ų1088.5 Ų88.54%0.03940%0.403CS..EExtended strand (participates in β ladder)trans-100.8107.5-177.5-152.4-78.1000108.9C30 T31 V35 N129 L160 L190 I204 V206C30-Y188 PolarHBondContact O-OH 3.24Å; T31-Y188 WeakPolarHBondContact CA-OH 3.39Å; T31-Y188 HydrophobicContact CG2-CE2 4.39Å; T31-Y188 PolarHBondContact N-OH 3.39Å; T31-Y188 VanDerWaalsContact N-OH 3.15Å; V35-Y188 HydrophobicContact CG1-CD2 4.37Å; V35-Y188 HydrophobicContact CG1-CE2 4.23Å; N129-Y188 PolarHBondContact ND2-OH 3.05Å; N129-Y188 VanDerWaalsContact ND2-OH 3.1Å; L160-Y188 HydrophobicContact CD1-CE2 4.49Å; Y188-L190 HydrophobicContact CD1-CD2 3.54Å; Y188-L190 HydrophobicContact CD1-CG 4.17Å; Y188-L190 HydrophobicContact CE1-CD2 3.53Å; Y188-L190 PolarHBondContact O-N 2.79Å; Y188-I204 PolarHBondContact N-O 2.88Å; Y188-I204 PolarHBondContact O-N 3.45Å; Y188-V206 HydrophobicContact CD2-CG2 4.48Å; Y188-V206 HydrophobicContact CG-CG2 4.39Å
189D68.2Low70.1Confident101 Ų10197 Ų9754%0.5444%0.435SS..EExtended strand (participates in β ladder)trans-78.8100.8176.1-65.8-10.2000108.2P191D189-P191 WeakPolarHBondContact O-CD 3.49Å
190L57.8Low67.9Low18 Ų1897.7 Ų97.79%0.09444%0.442CS..EExtended strand (participates in β ladder)trans-77.3111.5172.6-70.5-174.5000109.6Y29 Y188 T201 V202 I204Y29-L190 HydrophobicContact CD1-CD1 4.18Å; Y29-L190 HydrophobicContact CD1-CD2 3.61Å; Y29-L190 HydrophobicContact CD1-CG 4.41Å; Y29-L190 HydrophobicContact CE1-CD1 4.05Å; Y29-L190 HydrophobicContact CE1-CD2 4.29Å; Y29-L190 HydrophobicContact CG-CD2 3.76Å; Y188-L190 HydrophobicContact CD1-CD2 3.54Å; Y188-L190 HydrophobicContact CD1-CG 4.17Å; Y188-L190 HydrophobicContact CE1-CD2 3.53Å; Y188-L190 PolarHBondContact O-N 2.79Å; L190-T201 VanDerWaalsContact O-CA 3.31Å; L190-T201 WeakPolarHBondContact O-CA 3.45Å; L190-V202 PolarHBondContact N-O 3.46Å; L190-V202 VanDerWaalsContact N-O 3.09Å; L190-V202 PolarHBondContact O-N 2.95Å; L190-I204 HydrophobicContact CD1-CD1 3.3Å; L190-I204 HydrophobicContact CD1-CG1 4.22Å; L190-I204 HydrophobicContact CG-CD1 4.03Å
191P56Low65.7Low70 Ų70100.1 Ų100.146%0.45545%0.452SS..EExtended strand (participates in β ladder)trans-63.5154171.525.9-30.7000109.8D189 L193D189-P191 WeakPolarHBondContact O-CD 3.49Å; P191-L193 HydrophobicContact CG-CD1 4.36Å; P191-L193 HydrophobicContact CG-CD2 4.34Å; P191-L193 HydrophobicContact CG-CG 4.08Å; P191-L193 PolarHBondContact O-N 3.06Å
192R51.2Low63.8Low132 Ų13298.3 Ų98.350%0.49845%0.449SS..  trans-6677.5174.8-171.8174.1-172.1-167.12.1111.4H197 N200R192-H197 HydrophobicContact CG-CB 4.18Å; R192-H197 VanDerWaalsContact CZ-O 3.26Å; R192-H197 PolarHBondContact NE-O 3.47Å; R192-H197 VanDerWaalsContact NE-O 3.13Å; R192-H197 PolarHBondContact NH2-O 3.39Å; R192-N200 WeakPolarHBondContact CB-O 3.37Å; R192-N200 PolarHBondContact N-O 3.22Å
193L53.3Low62.4Low64 Ų64101 Ų10134%0.33546%0.462SS..  trans-80.6-29.4176.9-66.4174.5000112P22 Y29 P191P22-L193 HydrophobicContact CG-CB 4.41Å; Y29-L193 HydrophobicContact CD1-CD1 4.03Å; P191-L193 HydrophobicContact CG-CD1 4.36Å; P191-L193 HydrophobicContact CG-CD2 4.34Å; P191-L193 HydrophobicContact CG-CG 4.08Å; P191-L193 PolarHBondContact O-N 3.06Å
194Y52.6Low61.7Low26 Ų26100.7 Ų100.710%0.10246%0.459CS..SBendtrans-111.3141.7-175.6-57-72000112.8P22 K23 L24 Y29 R196 H197P22-Y194 HydrophobicContact CB-CE1 4.36Å; P22-Y194 HydrophobicContact CG-CE1 4.4Å; P22-Y194 WeakPolarHBondContact O-CE1 3.32Å; K23-Y194 PolarHBondContact O-OH 3.27Å; L24-Y194 HydrophobicContact CB-CD1 4.14Å; L24-Y194 HydrophobicContact CB-CE1 3.76Å; L24-Y194 HydrophobicContact CD1-CD1 4.18Å; L24-Y194 HydrophobicContact CD1-CD2 3.96Å; L24-Y194 HydrophobicContact CD1-CE1 4.12Å; L24-Y194 HydrophobicContact CD1-CE2 3.89Å; L24-Y194 HydrophobicContact CD1-CG 4.1Å; Y29-Y194 HydrophobicContact CD1-CE2 4.15Å; Y29-Y194 AromaticContact CE1-CD2 3.76Å; Y29-Y194 HydrophobicContact CE1-CD2 3.76Å; Y29-Y194 AromaticContact CE1-CE2 3.39Å; Y29-Y194 HydrophobicContact CE1-CE2 3.39Å; Y29-Y194 HydrophobicContact CE2-CE2 4.18Å; Y29-Y194 AromaticContact CZ-CD2 3.84Å; Y29-Y194 AromaticContact CZ-CE2 3.4Å; Y29-Y194 WeakPolarHBondContact OH-CD2 3.17Å; Y29-Y194 WeakPolarHBondContact OH-CE2 3.46Å; Y194-R196 PolarHBondContact O-N 3.15Å; Y194-H197 PolarHBondContact O-CD2 3Å; Y194-H197 PolarHBondContact O-N 2.92Å
195K49.8Very low61.6Low212 Ų212102.1 Ų102.192%0.92247%0.47SS*.THydrogen-bonded Turntrans-56.8-15.1-177.9-67.7-177.2179.71770114.8
196R50.2Low61.7Low225 Ų22595.7 Ų95.785%0.84944%0.441SS*.THydrogen-bonded Turntrans-87.1-8.7-172.3-69.7-173.8172.7-170.1-1.2115.8Y194Y194-R196 PolarHBondContact O-N 3.15Å
197H45.9Very low62.1Low51 Ų5194.3 Ų94.324%0.23643%0.433CS..  trans-79.1131.9179.8-61.9-84000111.9R192 Y194R192-H197 HydrophobicContact CG-CB 4.18Å; R192-H197 VanDerWaalsContact CZ-O 3.26Å; R192-H197 PolarHBondContact NE-O 3.47Å; R192-H197 VanDerWaalsContact NE-O 3.13Å; R192-H197 PolarHBondContact NH2-O 3.39Å; Y194-H197 PolarHBondContact O-CD2 3Å; Y194-H197 PolarHBondContact O-N 2.92Å
198R49.3Very low63.1Low242 Ų24284.8 Ų84.891%0.91340%0.397SS*.SBendtrans-78.9-21.9172-76.6-174.2178.7-179.70.3113.1
199Y41.3Very low64.7Low182 Ų18284.3 Ų84.371%0.71440%0.396SS*.SBendtrans-113.6157.9179.3-62.9-77.2000111.3
200N52.1Low66.2Low123 Ų12379.7 Ų79.766%0.65837%0.371SS*.SBendtrans-74.8-27.9-173.2-70.6-20000113.8R192R192-N200 WeakPolarHBondContact CB-O 3.37Å; R192-N200 PolarHBondContact N-O 3.22Å
201T52.4Low68.1Low74 Ų7478.9 Ų78.945%0.45437%0.366SS..EExtended strand (participates in β ladder)trans-142.9153.8173.454.80000109.1L190L190-T201 VanDerWaalsContact O-CA 3.31Å; L190-T201 WeakPolarHBondContact O-CA 3.45Å
202V59.1Low70.1Confident58 Ų5878.5 Ų78.535%0.35236%0.356SS..EExtended strand (participates in β ladder)trans-121116.9165.9-1790000106.9L190 I204L190-V202 PolarHBondContact N-O 3.46Å; L190-V202 VanDerWaalsContact N-O 3.09Å; L190-V202 PolarHBondContact O-N 2.95Å; V202-I204 HydrophobicContact CG1-CG1 3.98Å; V202-I204 PolarHBondContact O-N 3.04Å
203D68.2Low72.1Confident95 Ų9577.5 Ų77.551%0.50836%0.355SS..EExtended strand (participates in β ladder)trans-78.7114.2173.8-60.24.5000107.7
204I79.9Confident73Confident39 Ų3978.2 Ų78.220%0.236%0.356CS..EExtended strand (participates in β ladder)trans-106127.9174.5-56.6179.3000108.4K162 Y188 L190 V202 V206K162-I204 HydrophobicContact CG-CG2 4.12Å; Y188-I204 PolarHBondContact N-O 2.88Å; Y188-I204 PolarHBondContact O-N 3.45Å; L190-I204 HydrophobicContact CD1-CD1 3.3Å; L190-I204 HydrophobicContact CD1-CG1 4.22Å; L190-I204 HydrophobicContact CG-CD1 4.03Å; V202-I204 HydrophobicContact CG1-CG1 3.98Å; V202-I204 PolarHBondContact O-N 3.04Å; I204-V206 HydrophobicContact CB-CG2 4.37Å; I204-V206 HydrophobicContact CG2-CG2 3.93Å; I204-V206 PolarHBondContact O-N 3.36Å
205A89.1Confident74.1Confident56 Ų5680.9 Ų80.946%0.46337%0.37SS..EExtended strand (participates in β ladder)trans-69.9119.116700000109.2T163T163-A205 PolarHBondContact N-O 3.45Å; T163-A205 VanDerWaalsContact OG1-C 3.25Å; T163-A205 WeakPolarHBondContact OG1-CB 3.24Å; T163-A205 PolarHBondContact OG1-O 2.93Å
206V92.3Very high75.5Confident0 Ų073.7 Ų73.70%034%0.339CS..EExtended strand (participates in β ladder)trans-125.7132.6-177.5176.40000108.5F132 L160 H161 T163 L186 Y188 I204F132-V206 HydrophobicContact CE2-CG2 3.86Å; F132-V206 HydrophobicContact CZ-CG1 4.12Å; F132-V206 HydrophobicContact CZ-CG2 3.88Å; L160-V206 HydrophobicContact CB-CG1 3.87Å; L160-V206 HydrophobicContact CD2-CG1 3.9Å; L160-V206 HydrophobicContact CG-CG1 4.38Å; H161-V206 CarbonylContact O-C 3.53Å; H161-V206 VanDerWaalsContact O-CA 3.31Å; H161-V206 WeakPolarHBondContact O-CA 3.33Å; H161-V206 WeakPolarHBondContact O-CG1 3.49Å; T163-V206 PolarHBondContact OG1-N 2.79Å; L186-V206 WeakPolarHBondContact CA-O 3.23Å; L186-V206 WeakPolarHBondContact CB-O 3.4Å; L186-V206 PolarHBondContact N-O 3.04Å; L186-V206 PolarHBondContact O-N 3.26Å; Y188-V206 HydrophobicContact CD2-CG2 4.48Å; Y188-V206 HydrophobicContact CG-CG2 4.39Å; I204-V206 HydrophobicContact CB-CG2 4.37Å; I204-V206 HydrophobicContact CG2-CG2 3.93Å; I204-V206 PolarHBondContact O-N 3.36Å
207D95.2Very high76.9Confident1 Ų164.8 Ų64.81%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-93.5136.7171.3-65.4-13.9000109.7L160 H161 T163 R166 V182 A184 V209L160-D207 WeakPolarHBondContact CA-O 3.46Å; H161-D207 PolarHBondContact N-O 2.84Å; H161-D207 PolarHBondContact O-N 3.2Å; T163-D207 WeakPolarHBondContact CB-OD1 3.31Å; T163-D207 WeakPolarHBondContact CG2-OD1 3.34Å; T163-D207 PolarHBondContact OG1-OD1 2.91Å; R166-D207 IonicContact CZ-OD1 3.79Å; R166-D207 IonicContact CZ-OD2 3.23Å; R166-D207 VanDerWaalsContact CZ-OD2 3.23Å; R166-D207 IonicContact NE-OD1 3.99Å; R166-D207 IonicContact NE-OD2 2.68Å; R166-D207 PolarHBondContact NE-OD2 3.44Å; R166-D207 IonicContact NH2-OD1 2.79Å; R166-D207 PolarHBondContact NH2-OD1 3.33Å; R166-D207 IonicContact NH2-OD2 2.97Å; R166-D207 PolarHBondContact NH2-OD2 3.48Å; V182-D207 HydrophobicContact CG1-CB 3.9Å; V182-D207 HydrophobicContact CG2-CB 4.17Å; A184-D207 WeakPolarHBondContact O-CA 3.34Å; D207-V209 HydrophobicContact CB-CG2 4.09Å
208L96.9Very high78.9Confident2 Ų265.6 Ų65.61%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-85.8117156.9-179.166.5000108.1I39 L160 V183 A184 L186I39-L208 HydrophobicContact CB-CD2 3.97Å; I39-L208 HydrophobicContact CG2-CD2 4.08Å; L160-L208 HydrophobicContact CD2-CB 4.05Å; L160-L208 HydrophobicContact CD2-CD1 3.8Å; L160-L208 HydrophobicContact CG-CD1 4.43Å; V183-L208 HydrophobicContact CG2-CB 4.12Å; V183-L208 HydrophobicContact CG2-CD2 3.72Å; V183-L208 HydrophobicContact CG2-CG 3.68Å; V183-L208 WeakPolarHBondContact CG2-O 3.35Å; V183-L208 PolarHBondContact N-O 3.31Å; A184-L208 HydrophobicContact CB-CB 4.09Å; A184-L208 PolarHBondContact N-O 2.98Å; A184-L208 PolarHBondContact O-N 3.28Å; L186-L208 HydrophobicContact CD1-CB 4.44Å
209V98.5Very high80.9Confident0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-105.9123.2179.3-173.50000109.2Y158 S159 V169 L170 I173 K181 V182 D207Y158-V209 WeakPolarHBondContact CA-O 3.4Å; S159-V209 PolarHBondContact N-O 3.12Å; S159-V209 PolarHBondContact O-N 3.49Å; S159-V209 PolarHBondContact OG-O 3.18Å; V169-V209 HydrophobicContact CG1-CB 4.33Å; V169-V209 HydrophobicContact CG1-CG1 4.1Å; V169-V209 HydrophobicContact CG1-CG2 4.02Å; L170-V209 HydrophobicContact CD2-CG1 4.1Å; I173-V209 HydrophobicContact CD1-CG1 3.59Å; K181-V209 WeakPolarHBondContact O-CA 3.26Å; V182-V209 HydrophobicContact CG2-CG2 4.31Å; D207-V209 HydrophobicContact CB-CG2 4.09Å
210H98.7Very high83.7Confident4 Ų444.7 Ų44.72%0.01924%0.242CC..EExtended strand (participates in β ladder)trans-96.9129.4171.7175.2-150.6000109.1D47 H156 V157 Y158 G180 K181 V183 W212D47-H210 IonicContact OD1-CE1 3.8Å; D47-H210 IonicContact OD2-CE1 3.9Å; H156-H210 AromaticContact CG-NE2 3.91Å; H156-H210 AromaticContact ND1-CE1 4Å; H156-H210 AromaticContact ND1-NE2 3.19Å; H156-H210 PolarHBondContact ND1-NE2 3.02Å; H156-H210 VanDerWaalsContact ND1-NE2 3.19Å; V157-H210 CarbonylContact O-C 3.58Å; V157-H210 WeakPolarHBondContact O-CA 3.38Å; Y158-H210 HydrophobicContact CD1-CB 3.91Å; Y158-H210 AromaticContact CD1-CD2 3.8Å; Y158-H210 HydrophobicContact CE1-CB 3.72Å; Y158-H210 AromaticContact CE1-CD2 3.16Å; Y158-H210 WeakPolarHBondContact CE1-CD2 3.45Å; Y158-H210 AromaticContact CE1-CG 3.48Å; Y158-H210 VanDerWaalsContact CE1-CG 3.48Å; Y158-H210 AromaticContact CE1-NE2 3.7Å; Y158-H210 AromaticContact CZ-CD2 3.32Å; Y158-H210 AromaticContact CZ-NE2 3.43Å; Y158-H210 PolarHBondContact OH-CD2 3.36Å; Y158-H210 PolarHBondContact OH-NE2 3.4Å; Y158-H210 VanDerWaalsContact OH-NE2 3.08Å; G180-H210 CarbonylContact C-O 3.52Å; G180-H210 WeakPolarHBondContact CA-O 3.21Å; K181-H210 PolarHBondContact N-O 2.97Å; K181-H210 PolarHBondContact O-N 3.4Å; V183-H210 HydrophobicContact CB-CB 4.48Å; V183-H210 HydrophobicContact CG1-CB 3.57Å; V183-H210 HydrophobicContact CG2-CB 4.05Å; H210-W212 AromaticContact CE1-CE3 3.75Å; H210-W212 AromaticContact CG-CE3 3.9Å; H210-W212 AromaticContact ND1-CE3 3.57Å; H210-W212 AromaticContact ND1-CZ3 3.73Å
211S98.7Very high86.1Confident0 Ų038.7 Ų38.70%021%0.21CC..EExtended strand (participates in β ladder)trans-125.3148172.8-38.20000110.7H156 V157 I173 Q179H156-S211 WeakPolarHBondContact CA-O 3.49Å; V157-S211 PolarHBondContact N-O 3.12Å; V157-S211 PolarHBondContact O-N 3.07Å; I173-S211 WeakPolarHBondContact CD1-OG 2.87Å; I173-S211 WeakPolarHBondContact CG1-OG 3.42Å; Q179-S211 CarbonylContact O-C 3.54Å; Q179-S211 WeakPolarHBondContact O-CA 3.41Å; Q179-S211 WeakPolarHBondContact O-CB 3.48Å
212W98.1Very high88.9Confident63 Ų6335.8 Ų35.824%0.23919%0.19CC..EExtended strand (participates in β ladder)trans-150.8168.717864.993.7000110.1L155 A178 Q179 K181 H210L155-W212 WeakPolarHBondContact O-CA 3.35Å; L155-W212 WeakPolarHBondContact O-CB 3.46Å; A178-W212 WeakPolarHBondContact CA-O 3.34Å; A178-W212 WeakPolarHBondContact CB-O 3.06Å; Q179-W212 HydrophobicContact CB-CD2 4.02Å; Q179-W212 VanDerWaalsContact CB-CE2 3.46Å; Q179-W212 HydrophobicContact CB-CG 4.45Å; Q179-W212 HydrophobicContact CB-CH2 4.18Å; Q179-W212 HydrophobicContact CB-CZ2 3.57Å; Q179-W212 HydrophobicContact CG-CZ2 4.5Å; Q179-W212 PolarHBondContact N-O 3.08Å; Q179-W212 PolarHBondContact O-N 2.74Å; Q179-W212 VanDerWaalsContact OE1-CE2 3.28Å; Q179-W212 VanDerWaalsContact OE1-CZ2 3.27Å; K181-W212 HydrophobicContact CB-CH2 4.44Å; K181-W212 HydrophobicContact CD-CH2 3.89Å; K181-W212 HydrophobicContact CD-CZ3 4.06Å; K181-W212 HydrophobicContact CG-CH2 4.09Å; K181-W212 HydrophobicContact CG-CZ3 3.92Å; H210-W212 AromaticContact CE1-CE3 3.75Å; H210-W212 AromaticContact CG-CE3 3.9Å; H210-W212 AromaticContact ND1-CE3 3.57Å; H210-W212 AromaticContact ND1-CZ3 3.73Å
213F92.4Very high91.6Very high111 Ų11133.7 Ų33.749%0.48718%0.176SC..  trans-102.40-178.7-56.9-84000111.2K121 L150 A153 A178K121-F213 VanDerWaalsContact NZ-CE2 3.33Å; L150-F213 HydrophobicContact CB-CZ 4.3Å; L150-F213 HydrophobicContact CD2-CE1 4.42Å; L150-F213 HydrophobicContact CD2-CZ 3.87Å; L150-F213 WeakPolarHBondContact O-CZ 3.34Å; A153-F213 HydrophobicContact CB-CE2 4.13Å; A153-F213 WeakPolarHBondContact O-CE2 3.46Å; A178-F213 HydrophobicContact CB-CD1 4.02Å; A178-F213 HydrophobicContact CB-CE1 3.85Å; A178-F213 HydrophobicContact CB-CZ 4.47Å

Retrieved 213 of 213 residues in 68.8 ms (Link to these results)

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