G4VLS0_SCHMA Loading...

Putative gaba(A) receptor-associated protein

AlphaFold DB , UniProt , Accession G4VLS0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 119 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
1M64.9Low92.2Very high85 Ų8578 Ų7842%0.41939%0.385SS..  0142.50-78.6167.7-177.600108F3 F79 E81 S108 F115M1-F3 HydrophobicContact CB-CD2 4.09Å; M1-F3 HydrophobicContact CB-CE2 3.79Å; M1-F3 HydrophobicContact SD-CE2 3.98Å; M1-F3 HydrophobicContact SD-CZ 4.21Å; M1-F79 HydrophobicContact CE-CB 3.81Å; M1-F79 HydrophobicContact CE-CG 4.48Å; M1-E81 WeakPolarHBondContact CE-O 3.43Å; M1-S108 WeakPolarHBondContact CE-OG 3.22Å; M1-S108 PolarHBondContact SD-OG 2.94Å; M1-F115 HydrophobicContact CE-CD1 4.48Å; M1-F115 HydrophobicContact CE-CE1 3.18Å; M1-F115 HydrophobicContact CE-CZ 3.26Å
2N83.4Confident92.7Very high126 Ų12681.8 Ų81.867%0.67440%0.401SS*.  trans-93.5113.8169.2-126.914.3000107.9E7N2-E7 PolarHBondContact ND2-OE1 2.93Å
3F93.7Very high93.2Very high12 Ų1283 Ų835%0.05341%0.405CS..  trans-90.4127.4173.2-79.7-100.3000108.1M1 F5 K6 E7 V32 E34 Y106 I107M1-F3 HydrophobicContact CB-CD2 4.09Å; M1-F3 HydrophobicContact CB-CE2 3.79Å; M1-F3 HydrophobicContact SD-CE2 3.98Å; M1-F3 HydrophobicContact SD-CZ 4.21Å; F3-F5 PolarHBondContact O-N 3.42Å; F3-F5 VanDerWaalsContact O-N 3.15Å; F3-K6 HydrophobicContact CB-CG 4.23Å; F3-K6 WeakPolarHBondContact O-CB 3.25Å; F3-K6 PolarHBondContact O-N 3.48Å; F3-E7 PolarHBondContact O-N 3.36Å; F3-V32 HydrophobicContact CD1-CG1 4.08Å; F3-E34 VanDerWaalsContact CA-OE2 3.28Å; F3-E34 WeakPolarHBondContact CA-OE2 3.26Å; F3-E34 HydrophobicContact CD1-CB 3.81Å; F3-E34 HydrophobicContact CD1-CG 3.74Å; F3-E34 HydrophobicContact CE1-CB 3.96Å; F3-E34 HydrophobicContact CE1-CG 4.29Å; F3-Y106 HydrophobicContact CB-CD1 4.04Å; F3-Y106 HydrophobicContact CB-CE1 4.14Å; F3-Y106 AromaticContact CD1-CD1 3.61Å; F3-Y106 HydrophobicContact CD1-CD1 3.61Å; F3-Y106 HydrophobicContact CD1-CE1 4.36Å; F3-Y106 AromaticContact CD2-CD1 3.78Å; F3-Y106 HydrophobicContact CD2-CD1 3.78Å; F3-Y106 HydrophobicContact CD2-CG 4.32Å; F3-Y106 AromaticContact CE1-CD1 3.94Å; F3-Y106 HydrophobicContact CE1-CD1 3.94Å; F3-Y106 HydrophobicContact CE2-CD1 4.1Å; F3-Y106 HydrophobicContact CE2-CG 4.3Å; F3-Y106 AromaticContact CG-CD1 3.53Å; F3-Y106 HydrophobicContact CG-CD1 3.53Å; F3-Y106 HydrophobicContact CG-CE1 4.14Å; F3-Y106 HydrophobicContact CG-CG 4.47Å; F3-Y106 HydrophobicContact CZ-CD1 4.18Å; F3-Y106 HydrophobicContact CZ-CG 4.42Å; F3-I107 WeakPolarHBondContact CE1-O 3.45Å
4K94.4Very high93.5Very high139 Ų13978.5 Ų78.560%0.60438%0.382SS*.Hα-helixtrans-57.7-29.3177.3-175176.3176-179.10111.2K6 E7 T8 E34K4-K6 VanDerWaalsContact C-N 3.3Å; K4-K6 PolarHBondContact O-N 3.28Å; K4-E7 PolarHBondContact O-N 3.05Å; K4-E7 VanDerWaalsContact O-N 3.15Å; K4-T8 HydrophobicContact CG-CG2 4.18Å; K4-T8 WeakPolarHBondContact O-CB 3.44Å; K4-T8 WeakPolarHBondContact O-CG2 3.31Å; K4-T8 PolarHBondContact O-N 3.37Å; K4-T8 PolarHBondContact O-OG1 3.37Å; K4-E34 PolarHBondContact N-OE1 3.44Å; K4-E34 VanDerWaalsContact N-OE1 3.15Å; K4-E34 PolarHBondContact N-OE2 2.88Å
5F96.5Very high93.9Very high13 Ų1378.9 Ų78.96%0.05738%0.382CS..Hα-helixtrans-57.7-41.5172.9-174.2-111.4000112.6F3 E7 T8 H9 R14 V32 E34 K48 F104 Y106F3-F5 PolarHBondContact O-N 3.42Å; F3-F5 VanDerWaalsContact O-N 3.15Å; F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 2.54Å; F5-T8 PolarHBondContact O-N 3.48Å; F5-T8 PolarHBondContact O-OG1 3.2Å; F5-H9 AromaticContact CD2-CE1 3.67Å; F5-H9 AromaticContact CD2-ND1 3.45Å; F5-H9 WeakPolarHBondContact CD2-ND1 3.47Å; F5-H9 HydrophobicContact CE2-CB 4.5Å; F5-H9 AromaticContact CE2-CD2 3.97Å; F5-H9 AromaticContact CE2-CE1 3.56Å; F5-H9 AromaticContact CE2-CG 3.75Å; F5-H9 AromaticContact CE2-ND1 3.47Å; F5-H9 WeakPolarHBondContact CE2-ND1 3.45Å; F5-H9 AromaticContact CE2-NE2 3.84Å; F5-H9 WeakPolarHBondContact O-CB 3.49Å; F5-H9 PolarHBondContact O-N 3.43Å; F5-H9 VanDerWaalsContact O-N 3.11Å; F5-H9 PolarHBondContact O-ND1 3.29Å; F5-R14 HydrophobicContact CD1-CG 4.23Å; F5-R14 HydrophobicContact CE1-CB 4.34Å; F5-R14 HydrophobicContact CE1-CG 3.56Å; F5-R14 HydrophobicContact CZ-CG 3.98Å; F5-V32 HydrophobicContact CB-CG1 3.85Å; F5-V32 HydrophobicContact CD1-CG1 4.23Å; F5-V32 HydrophobicContact CD1-CG2 3.6Å; F5-V32 HydrophobicContact CE1-CG2 3.8Å; F5-V32 HydrophobicContact CG-CG1 4.12Å; F5-V32 HydrophobicContact CG-CG2 4.13Å; F5-E34 VanDerWaalsContact CB-OE1 3.27Å; F5-E34 WeakPolarHBondContact CB-OE1 3.44Å; F5-E34 PolarHBondContact N-OE1 3.25Å; F5-K48 HydrophobicContact CD2-CD 4.44Å; F5-K48 HydrophobicContact CE2-CD 3.69Å; F5-K48 HydrophobicContact CE2-CG 4.36Å; F5-K48 HydrophobicContact CZ-CD 3.99Å; F5-F104 HydrophobicContact CE1-CD2 4.13Å; F5-F104 AromaticContact CE1-CE2 3.99Å; F5-F104 HydrophobicContact CE1-CE2 3.99Å; F5-F104 HydrophobicContact CE1-CZ 4.35Å; F5-F104 HydrophobicContact CZ-CE2 4.21Å; F5-F104 HydrophobicContact CZ-CZ 4.27Å; F5-Y106 HydrophobicContact CD1-CE1 4.02Å; F5-Y106 WeakPolarHBondContact CD1-OH 3.21Å
6K96.7Very high94.1Very high65 Ų6582.9 Ų82.928%0.28340%0.4SS..Hα-helixtrans-72.4-24.6176.7-61.4-162.6179.8-168.50113.2F3 K4 D100 Y106F3-K6 HydrophobicContact CB-CG 4.23Å; F3-K6 WeakPolarHBondContact O-CB 3.25Å; F3-K6 PolarHBondContact O-N 3.48Å; K4-K6 VanDerWaalsContact C-N 3.3Å; K4-K6 PolarHBondContact O-N 3.28Å; K6-D100 IonicContact NZ-OD1 3.95Å; K6-D100 PolarHBondContact NZ-OD1 3.25Å; K6-D100 IonicContact NZ-OD2 2.82Å; K6-D100 PolarHBondContact NZ-OD2 3.34Å; K6-Y106 HydrophobicContact CD-CE1 4.32Å; K6-Y106 VanDerWaalsContact CE-CE2 3.45Å; K6-Y106 HydrophobicContact CG-CE1 3.84Å
7E95.4Very high94.3Very high122 Ų12281.3 Ų81.357%0.5739%0.394SS*.Hα-helixtrans-79.2-29.2176-61.9175.4174.300112.3N2 F3 K4 F5N2-E7 PolarHBondContact ND2-OE1 2.93Å; F3-E7 PolarHBondContact O-N 3.36Å; K4-E7 PolarHBondContact O-N 3.05Å; K4-E7 VanDerWaalsContact O-N 3.15Å; F5-E7 VanDerWaalsContact C-N 3.32Å; F5-E7 PolarHBondContact O-N 2.54Å
8T96Very high94.6Very high81 Ų8176.9 Ų76.950%0.49737%0.373SS..Hα-helixtrans-98.6-13.4-174.150.30000114K4 F5K4-T8 HydrophobicContact CG-CG2 4.18Å; K4-T8 WeakPolarHBondContact O-CB 3.44Å; K4-T8 WeakPolarHBondContact O-CG2 3.31Å; K4-T8 PolarHBondContact O-N 3.37Å; K4-T8 PolarHBondContact O-OG1 3.37Å; F5-T8 PolarHBondContact O-N 3.48Å; F5-T8 PolarHBondContact O-OG1 3.2Å
9H97.3Very high94.7Very high73 Ų7376.5 Ų76.534%0.33838%0.379SS..SBendtrans-130.8132.1-179.9-58.973.7000110F5 R14F5-H9 AromaticContact CD2-CE1 3.67Å; F5-H9 AromaticContact CD2-ND1 3.45Å; F5-H9 WeakPolarHBondContact CD2-ND1 3.47Å; F5-H9 HydrophobicContact CE2-CB 4.5Å; F5-H9 AromaticContact CE2-CD2 3.97Å; F5-H9 AromaticContact CE2-CE1 3.56Å; F5-H9 AromaticContact CE2-CG 3.75Å; F5-H9 AromaticContact CE2-ND1 3.47Å; F5-H9 WeakPolarHBondContact CE2-ND1 3.45Å; F5-H9 AromaticContact CE2-NE2 3.84Å; F5-H9 WeakPolarHBondContact O-CB 3.49Å; F5-H9 PolarHBondContact O-N 3.43Å; F5-H9 VanDerWaalsContact O-N 3.11Å; F5-H9 PolarHBondContact O-ND1 3.29Å; H9-R14 HydrophobicContact CB-CG 3.72Å
10T97.9Very high94.9Very high68 Ų6880.5 Ų80.542%0.41739%0.394SS..  trans-64.4160177.5800000110.8E12 Q13 R14T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 WeakPolarHBondContact CB-OE2 3.47Å; T10-E12 PolarHBondContact O-N 3Å; T10-E12 PolarHBondContact OG1-OE2 2.96Å; T10-E12 VanDerWaalsContact OG1-OE2 3.05Å; T10-Q13 PolarHBondContact O-N 3.29Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.2Å; T10-Q13 PolarHBondContact OG1-N 3.21Å; T10-R14 WeakPolarHBondContact O-CG 3.38Å; T10-R14 PolarHBondContact O-N 3.5Å
11F98.3Very high95Very high74 Ų7478.8 Ų78.833%0.32539%0.386SS..Hα-helixtrans-55.9-44.5176.8177.5-94.2000111.7Q13 R14 Q15 D101 D102F11-Q13 VanDerWaalsContact C-N 3.35Å; F11-Q13 PolarHBondContact O-N 2.52Å; F11-R14 PolarHBondContact O-N 3.26Å; F11-Q15 HydrophobicContact CE1-CB 4.39Å; F11-Q15 WeakPolarHBondContact O-CB 3.36Å; F11-Q15 PolarHBondContact O-N 3.09Å; F11-D101 HydrophobicContact CE2-CB 4.05Å; F11-D101 HydrophobicContact CZ-CB 4.2Å; F11-D102 HydrophobicContact CD2-CB 4.11Å; F11-D102 HydrophobicContact CE2-CB 3.86Å
12E98.4Very high96.5Very high123 Ų12377 Ų7758%0.57538%0.376SS*.Hα-helixtrans-63.2-40.7-179.7-59.574.3-16100111.7T10 Q15 Q16T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 WeakPolarHBondContact CB-OE2 3.47Å; T10-E12 PolarHBondContact O-N 3Å; T10-E12 PolarHBondContact OG1-OE2 2.96Å; T10-E12 VanDerWaalsContact OG1-OE2 3.05Å; E12-Q15 PolarHBondContact O-N 3.01Å; E12-Q16 VanDerWaalsContact O-CB 3.25Å; E12-Q16 WeakPolarHBondContact O-CB 3.4Å; E12-Q16 PolarHBondContact O-N 2.73Å
13Q98.2Very high97.2Very high98 Ų9875.1 Ų75.146%0.45838%0.378SS..Hα-helixtrans-63.9-43.9176.8-72.6172.8-20.600111.5T10 F11 D17T10-Q13 PolarHBondContact O-N 3.29Å; T10-Q13 WeakPolarHBondContact OG1-CG 3.2Å; T10-Q13 PolarHBondContact OG1-N 3.21Å; F11-Q13 VanDerWaalsContact C-N 3.35Å; F11-Q13 PolarHBondContact O-N 2.52Å; Q13-D17 WeakPolarHBondContact O-CB 3.34Å; Q13-D17 PolarHBondContact O-N 2.93Å; Q13-D17 VanDerWaalsContact O-N 3.09Å
14R98.5Very high97.4Very high20 Ų2081.3 Ų81.38%0.07541%0.405CS..Hα-helixtrans-63.8-48.3177.2-65.5-174.5-72127.5-1.4110.9F5 H9 T10 F11 Q16 D17 S18 D100 D102 F104 Y106F5-R14 HydrophobicContact CD1-CG 4.23Å; F5-R14 HydrophobicContact CE1-CB 4.34Å; F5-R14 HydrophobicContact CE1-CG 3.56Å; F5-R14 HydrophobicContact CZ-CG 3.98Å; H9-R14 HydrophobicContact CB-CG 3.72Å; T10-R14 WeakPolarHBondContact O-CG 3.38Å; T10-R14 PolarHBondContact O-N 3.5Å; F11-R14 PolarHBondContact O-N 3.26Å; R14-Q16 PolarHBondContact O-N 3.44Å; R14-D17 PolarHBondContact O-N 3.43Å; R14-S18 PolarHBondContact O-N 3.03Å; R14-S18 PolarHBondContact O-OG 3.22Å; R14-D100 IonicContact NH1-OD1 3.65Å; R14-D102 HydrophobicContact CB-CB 3.9Å; R14-D102 VanDerWaalsContact CB-OD2 3.3Å; R14-D102 WeakPolarHBondContact CB-OD2 3.33Å; R14-D102 VanDerWaalsContact CD-OD2 3.32Å; R14-D102 WeakPolarHBondContact CD-OD2 3.35Å; R14-D102 IonicContact CZ-OD2 2.54Å; R14-D102 IonicContact NE-OD2 3.4Å; R14-D102 IonicContact NH1-OD2 2.72Å; R14-D102 PolarHBondContact NH1-OD2 3Å; R14-F104 HydrophobicContact CB-CD2 4.42Å; R14-F104 HydrophobicContact CB-CE2 4.3Å; R14-F104 WeakPolarHBondContact O-CE2 3.14Å; R14-Y106 WeakPolarHBondContact CD-OH 3.25Å; R14-Y106 PolarHBondContact NH1-OH 3.4Å; R14-Y106 VanDerWaalsContact NH1-OH 3.12Å
15Q98.5Very high97.6Very high84 Ų8479 Ų7939%0.39339%0.393SS..Hα-helixtrans-62-42.3179.3-171.9-179.567.900112.6F11 E12 D17 S18 S19 D102F11-Q15 HydrophobicContact CE1-CB 4.39Å; F11-Q15 WeakPolarHBondContact O-CB 3.36Å; F11-Q15 PolarHBondContact O-N 3.09Å; E12-Q15 PolarHBondContact O-N 3.01Å; Q15-D17 VanDerWaalsContact C-N 3.34Å; Q15-D17 PolarHBondContact O-N 3.11Å; Q15-S18 PolarHBondContact O-OG 3.39Å; Q15-S19 WeakPolarHBondContact O-CB 3.3Å; Q15-S19 PolarHBondContact O-N 2.87Å; Q15-S19 PolarHBondContact O-OG 3Å; Q15-D102 WeakPolarHBondContact CA-O 3.3Å
16Q98.3Very high97.6Very high143 Ų14382.3 Ų82.367%0.66842%0.416SS*.Hα-helixtrans-63.7-42.7177.7-173.4-178.92200111.3E12 R14 K20E12-Q16 VanDerWaalsContact O-CB 3.25Å; E12-Q16 WeakPolarHBondContact O-CB 3.4Å; E12-Q16 PolarHBondContact O-N 2.73Å; R14-Q16 PolarHBondContact O-N 3.44Å; Q16-K20 WeakPolarHBondContact O-CB 3.41Å; Q16-K20 PolarHBondContact O-N 3Å
17D97.7Very high97.7Very high56 Ų5684.6 Ų84.630%0.29943%0.431SS..Hα-helixtrans-68.8-47.1-178.8-174.740.3000112.4Q13 R14 Q15 S19 K20 I21 K48Q13-D17 WeakPolarHBondContact O-CB 3.34Å; Q13-D17 PolarHBondContact O-N 2.93Å; Q13-D17 VanDerWaalsContact O-N 3.09Å; R14-D17 PolarHBondContact O-N 3.43Å; Q15-D17 VanDerWaalsContact C-N 3.34Å; Q15-D17 PolarHBondContact O-N 3.11Å; D17-S19 PolarHBondContact O-N 3.24Å; D17-K20 PolarHBondContact O-N 3.06Å; D17-I21 WeakPolarHBondContact O-CG2 3.36Å; D17-I21 PolarHBondContact O-N 3.3Å; D17-K48 WeakPolarHBondContact OD2-CE 3.35Å; D17-K48 IonicContact OD2-NZ 3.78Å; D17-K48 PolarHBondContact OD2-NZ 2.87Å
18S98Very high97.8Very high2 Ų283.9 Ų83.91%0.01442%0.423CS..Hα-helixtrans-60.5-45.517667.40000111.5R14 Q15 K20 I21 K22 D102R14-S18 PolarHBondContact O-N 3.03Å; R14-S18 PolarHBondContact O-OG 3.22Å; Q15-S18 PolarHBondContact O-OG 3.39Å; S18-K20 PolarHBondContact O-N 2.77Å; S18-I21 WeakPolarHBondContact O-CG2 3.25Å; S18-I21 PolarHBondContact O-N 3.25Å; S18-K22 WeakPolarHBondContact O-CB 3.22Å; S18-K22 PolarHBondContact O-N 3.15Å; S18-D102 VanDerWaalsContact CB-O 3.25Å; S18-D102 WeakPolarHBondContact CB-O 3.46Å; S18-D102 PolarHBondContact OG-O 2.92Å
19S97.7Very high97.9Very high69 Ų6980 Ų8048%0.48340%0.4SS..Hα-helixtrans-62.8-44.2179.8-60.50000111Q15 D17 A23Q15-S19 WeakPolarHBondContact O-CB 3.3Å; Q15-S19 PolarHBondContact O-N 2.87Å; Q15-S19 PolarHBondContact O-OG 3Å; D17-S19 PolarHBondContact O-N 3.24Å; S19-A23 VanDerWaalsContact O-CB 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.27Å; S19-A23 PolarHBondContact O-N 3.41Å
20K98.2Very high98Very high157 Ų15776.7 Ų76.768%0.68338%0.384SS*.Hα-helixtrans-63.4-46.7178.1-176.6179.2-179.2178.70111.9Q16 D17 S18 K24Q16-K20 WeakPolarHBondContact O-CB 3.41Å; Q16-K20 PolarHBondContact O-N 3Å; D17-K20 PolarHBondContact O-N 3.06Å; S18-K20 PolarHBondContact O-N 2.77Å; K20-K24 PolarHBondContact O-N 3.5Å
21I97.4Very high98Very high44 Ų4473.4 Ų73.423%0.22636%0.364CS..Hα-helixtrans-71.9-35.1-177.8-160.767000111.7D17 S18 K24 Y25 P30 L50D17-I21 WeakPolarHBondContact O-CG2 3.36Å; D17-I21 PolarHBondContact O-N 3.3Å; S18-I21 WeakPolarHBondContact O-CG2 3.25Å; S18-I21 PolarHBondContact O-N 3.25Å; I21-K24 PolarHBondContact O-N 3.39Å; I21-Y25 HydrophobicContact CD1-CD2 3.6Å; I21-Y25 HydrophobicContact CD1-CE2 3.59Å; I21-Y25 HydrophobicContact CG1-CD2 4.02Å; I21-Y25 HydrophobicContact CG1-CE2 4.49Å; I21-Y25 PolarHBondContact O-N 3.15Å; I21-P30 HydrophobicContact CG2-CB 3.91Å; I21-P30 HydrophobicContact CG2-CG 4.37Å; I21-L50 HydrophobicContact CD1-CD2 4.19Å; I21-L50 HydrophobicContact CG1-CD1 3.86Å; I21-L50 HydrophobicContact CG1-CD2 3.89Å; I21-L50 HydrophobicContact CG1-CG 4.44Å; I21-L50 HydrophobicContact CG2-CD1 4.38Å
22K96.8Very high98Very high49 Ų4969.9 Ų69.921%0.21335%0.349CS..Hα-helixtrans-69.8-39177.9-16672.6-155.6178.90112S18 K24 Y25 P26 R28S18-K22 WeakPolarHBondContact O-CB 3.22Å; S18-K22 PolarHBondContact O-N 3.15Å; K22-K24 VanDerWaalsContact C-N 3.29Å; K22-K24 PolarHBondContact O-N 2.92Å; K22-Y25 CarbonylContact O-C 3.27Å; K22-Y25 VanDerWaalsContact O-C 3.27Å; K22-Y25 PolarHBondContact O-N 2.79Å; K22-P26 WeakPolarHBondContact CE-O 3.49Å; K22-P26 PolarHBondContact NZ-O 2.6Å; K22-P26 WeakPolarHBondContact O-CA 3.44Å; K22-R28 VanDerWaalsContact CD-O 3.29Å; K22-R28 WeakPolarHBondContact CD-O 3.46Å; K22-R28 WeakPolarHBondContact CE-O 3.32Å; K22-R28 VanDerWaalsContact NZ-C 3.34Å; K22-R28 PolarHBondContact NZ-O 3.47Å
23A97.7Very high98Very high86 Ų8664 Ų6471%0.71132%0.322SS*.Hα-helixtrans-62-37171.600000112.3S19S19-A23 VanDerWaalsContact O-CB 3.31Å; S19-A23 WeakPolarHBondContact O-CB 3.27Å; S19-A23 PolarHBondContact O-N 3.41Å
24K98.2Very high98Very high141 Ų14160.5 Ų60.561%0.61331%0.305SS*.Hα-helixtrans-75.3-33.1178.5-168.9175.1179.9-170.60113.3K20 I21 K22K20-K24 PolarHBondContact O-N 3.5Å; I21-K24 PolarHBondContact O-N 3.39Å; K22-K24 VanDerWaalsContact C-N 3.29Å; K22-K24 PolarHBondContact O-N 2.92Å
25Y98.2Very high97.8Very high91 Ų9163.4 Ų63.436%0.35732%0.316SS..  trans-13476.2-176.8-55.8-75.2000110.7I21 K22 N27 R28 L50I21-Y25 HydrophobicContact CD1-CD2 3.6Å; I21-Y25 HydrophobicContact CD1-CE2 3.59Å; I21-Y25 HydrophobicContact CG1-CD2 4.02Å; I21-Y25 HydrophobicContact CG1-CE2 4.49Å; I21-Y25 PolarHBondContact O-N 3.15Å; K22-Y25 CarbonylContact O-C 3.27Å; K22-Y25 VanDerWaalsContact O-C 3.27Å; K22-Y25 PolarHBondContact O-N 2.79Å; Y25-N27 VanDerWaalsContact C-N 3.28Å; Y25-N27 PolarHBondContact O-N 2.51Å; Y25-R28 PolarHBondContact O-N 3.12Å; Y25-L50 HydrophobicContact CD2-CD2 3.43Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.43Å; Y25-L50 HydrophobicContact CE2-CD2 4.03Å; Y25-L50 HydrophobicContact CG-CD2 3.78Å
26P97.2Very high97.6Very high83 Ų8360.6 Ų60.654%0.53930%0.303SS..THydrogen-bonded Turntrans-61.4-32.6-171.621-32.4000113.8K22 R28K22-P26 WeakPolarHBondContact CE-O 3.49Å; K22-P26 PolarHBondContact NZ-O 2.6Å; K22-P26 WeakPolarHBondContact O-CA 3.44Å; P26-R28 PolarHBondContact O-N 2.84Å
27N97.6Very high97.1Very high112 Ų11263.3 Ų63.360%0.59931%0.307SS*.THydrogen-bonded Turntrans-87.516.2179.2-54.1-14.1000112.9Y25 D53Y25-N27 VanDerWaalsContact C-N 3.28Å; Y25-N27 PolarHBondContact O-N 2.51Å; N27-D53 PolarHBondContact O-N 2.84Å; N27-D53 VanDerWaalsContact O-N 3.17Å
28R98.5Very high96.6Very high107 Ų10765.8 Ų65.840%0.40432%0.316SS..EExtended strand (participates in β ladder)trans-128.5137.2177.6-60.8-171.3172.8-124.5-0.3112.5K22 Y25 P26 L50 V51K22-R28 VanDerWaalsContact CD-O 3.29Å; K22-R28 WeakPolarHBondContact CD-O 3.46Å; K22-R28 WeakPolarHBondContact CE-O 3.32Å; K22-R28 VanDerWaalsContact NZ-C 3.34Å; K22-R28 PolarHBondContact NZ-O 3.47Å; Y25-R28 PolarHBondContact O-N 3.12Å; P26-R28 PolarHBondContact O-N 2.84Å; R28-L50 HydrophobicContact CB-CD1 3.73Å; R28-L50 HydrophobicContact CB-CD2 4.19Å; R28-L50 HydrophobicContact CB-CG 3.63Å; R28-L50 HydrophobicContact CG-CG 4.35Å; R28-L50 PolarHBondContact NH1-O 2.81Å; R28-V51 CarbonylContact C-O 3.59Å; R28-V51 WeakPolarHBondContact CA-O 3.44Å
29V98.5Very high96.3Very high1 Ų165.7 Ų65.71%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-92126.3-179.21760000110V31 L50 V51 D53 I91 Y95 L105V29-V31 HydrophobicContact CB-CG2 4.29Å; V29-V31 HydrophobicContact CG1-CG2 3.67Å; V29-V31 PolarHBondContact O-N 2.76Å; V29-L50 WeakPolarHBondContact O-CA 3.06Å; V29-V51 PolarHBondContact N-O 3.02Å; V29-V51 PolarHBondContact O-N 3.41Å; V29-D53 HydrophobicContact CG2-CB 4.24Å; V29-I91 HydrophobicContact CB-CG2 3.81Å; V29-I91 HydrophobicContact CG1-CG2 3.89Å; V29-I91 HydrophobicContact CG2-CG2 4.09Å; V29-Y95 HydrophobicContact CB-CD2 4.45Å; V29-Y95 HydrophobicContact CG1-CD2 3.36Å; V29-Y95 HydrophobicContact CG1-CE2 4.16Å; V29-Y95 HydrophobicContact CG1-CG 3.73Å; V29-Y95 HydrophobicContact CG2-CD2 4.46Å; V29-Y95 HydrophobicContact CG2-CG 4.04Å; V29-L105 HydrophobicContact CG1-CB 4.17Å; V29-L105 HydrophobicContact CG1-CD2 4.46Å
30P98.5Very high96Very high2 Ų270.5 Ų70.51%0.01333%0.331CS..EExtended strand (participates in β ladder)trans-74.9119.2167.232.7-34.2000109.7I21 L50 Y95 G103 F104 L105I21-P30 HydrophobicContact CG2-CB 3.91Å; I21-P30 HydrophobicContact CG2-CG 4.37Å; P30-L50 HydrophobicContact CB-CD1 4.46Å; P30-Y95 HydrophobicContact CG-CE2 4.37Å; P30-G103 WeakPolarHBondContact CG-O 3.24Å; P30-F104 HydrophobicContact CB-CD1 3.65Å; P30-F104 HydrophobicContact CB-CE1 3.66Å; P30-F104 HydrophobicContact CG-CD1 4.35Å; P30-L105 PolarHBondContact O-N 2.6Å
31V98.6Very high95.8Very high0 Ų064.1 Ų64.10%030%0.304CS..EExtended strand (participates in β ladder)trans-121.4131.6-176.5-1730000109.8V29 V33 K48 F49 V51 F60 I91 L105 I107V29-V31 HydrophobicContact CB-CG2 4.29Å; V29-V31 HydrophobicContact CG1-CG2 3.67Å; V29-V31 PolarHBondContact O-N 2.76Å; V31-V33 HydrophobicContact CG1-CG2 3.79Å; V31-K48 WeakPolarHBondContact O-CA 3.2Å; V31-F49 HydrophobicContact CB-CB 4.36Å; V31-F49 PolarHBondContact N-O 2.91Å; V31-F49 PolarHBondContact O-N 3.15Å; V31-V51 HydrophobicContact CB-CG2 4.36Å; V31-V51 HydrophobicContact CG2-CB 4.38Å; V31-V51 HydrophobicContact CG2-CG2 3.81Å; V31-F60 HydrophobicContact CG1-CE1 4.36Å; V31-F60 HydrophobicContact CG1-CZ 4.17Å; V31-I91 HydrophobicContact CG2-CG2 3.97Å; V31-L105 CarbonylContact C-O 3.47Å; V31-L105 WeakPolarHBondContact CA-O 3.48Å; V31-L105 HydrophobicContact CG2-CB 4.37Å; V31-L105 HydrophobicContact CG2-CD2 4.33Å; V31-I107 HydrophobicContact CG1-CB 4.4Å; V31-I107 HydrophobicContact CG1-CD1 3.71Å; V31-I107 HydrophobicContact CG1-CG1 3.85Å
32V98.4Very high95.7Very high0 Ų065 Ų650%031%0.312CS..EExtended strand (participates in β ladder)trans-100122.7166.3177.40000108.1F3 F5 E34 H47 K48 F104 L105 Y106 I107F3-V32 HydrophobicContact CD1-CG1 4.08Å; F5-V32 HydrophobicContact CB-CG1 3.85Å; F5-V32 HydrophobicContact CD1-CG1 4.23Å; F5-V32 HydrophobicContact CD1-CG2 3.6Å; F5-V32 HydrophobicContact CE1-CG2 3.8Å; F5-V32 HydrophobicContact CG-CG1 4.12Å; F5-V32 HydrophobicContact CG-CG2 4.13Å; V32-E34 HydrophobicContact CG1-CG 4.27Å; V32-H47 CarbonylContact C-O 3.42Å; V32-H47 WeakPolarHBondContact CA-O 3.23Å; V32-K48 HydrophobicContact CG2-CG 4.36Å; V32-F104 HydrophobicContact CG2-CB 4.18Å; V32-F104 HydrophobicContact CG2-CD1 3.65Å; V32-F104 HydrophobicContact CG2-CE1 4.2Å; V32-F104 HydrophobicContact CG2-CG 3.97Å; V32-L105 PolarHBondContact N-O 2.81Å; V32-Y106 HydrophobicContact CB-CD1 3.81Å; V32-Y106 HydrophobicContact CB-CE1 3.84Å; V32-Y106 HydrophobicContact CG1-CD1 4.01Å; V32-Y106 HydrophobicContact CG1-CE1 3.98Å; V32-Y106 HydrophobicContact CG2-CD1 4.41Å; V32-Y106 HydrophobicContact CG2-CE1 3.98Å; V32-I107 PolarHBondContact O-N 3.18Å
33V97.9Very high95.7Very high0 Ų066.6 Ų66.60%032%0.323CS..EExtended strand (participates in β ladder)trans-116121.7178.8-176.40000109V31 H47 F49 F60 I64 I107 Y109V31-V33 HydrophobicContact CG1-CG2 3.79Å; V33-H47 PolarHBondContact N-O 2.76Å; V33-H47 WeakPolarHBondContact O-CA 3.33Å; V33-H47 WeakPolarHBondContact O-CB 3.28Å; V33-H47 PolarHBondContact O-CD2 2.83Å; V33-F49 HydrophobicContact CB-CD2 4.09Å; V33-F49 HydrophobicContact CB-CE2 3.9Å; V33-F49 HydrophobicContact CG2-CD2 3.62Å; V33-F49 HydrophobicContact CG2-CE2 3.87Å; V33-F60 HydrophobicContact CG2-CE1 3.84Å; V33-F60 HydrophobicContact CG2-CZ 3.62Å; V33-I64 HydrophobicContact CB-CD1 4.5Å; V33-I64 HydrophobicContact CG1-CD1 4Å; V33-I64 HydrophobicContact CG2-CD1 4.17Å; V33-I107 VanDerWaalsContact CA-O 3.24Å; V33-I107 WeakPolarHBondContact CA-O 3.45Å; V33-I107 HydrophobicContact CG2-CB 4.46Å; V33-Y109 HydrophobicContact CG1-CD1 3.59Å; V33-Y109 HydrophobicContact CG1-CE1 4.01Å
34E97.3Very high95.6Very high23 Ų2362.7 Ų62.711%0.10729%0.29CS..EExtended strand (participates in β ladder)trans-131.1148.2175.8-70.7-175-161.300111.7F3 K4 F5 V32 H36 I107 S108 Y109F3-E34 VanDerWaalsContact CA-OE2 3.28Å; F3-E34 WeakPolarHBondContact CA-OE2 3.26Å; F3-E34 HydrophobicContact CD1-CB 3.81Å; F3-E34 HydrophobicContact CD1-CG 3.74Å; F3-E34 HydrophobicContact CE1-CB 3.96Å; F3-E34 HydrophobicContact CE1-CG 4.29Å; K4-E34 PolarHBondContact N-OE1 3.44Å; K4-E34 VanDerWaalsContact N-OE1 3.15Å; K4-E34 PolarHBondContact N-OE2 2.88Å; F5-E34 VanDerWaalsContact CB-OE1 3.27Å; F5-E34 WeakPolarHBondContact CB-OE1 3.44Å; F5-E34 PolarHBondContact N-OE1 3.25Å; V32-E34 HydrophobicContact CG1-CG 4.27Å; E34-H36 PolarHBondContact O-N 2.83Å; E34-I107 PolarHBondContact N-O 3.2Å; E34-S108 CarbonylContact O-C 3.52Å; E34-S108 WeakPolarHBondContact O-CA 3.49Å; E34-Y109 VanDerWaalsContact C-CD1 3.49Å; E34-Y109 VanDerWaalsContact C-CE1 3.43Å; E34-Y109 WeakPolarHBondContact O-CD1 3.39Å; E34-Y109 PolarHBondContact O-N 2.94Å
35R95.6Very high95.4Very high82 Ų8261.5 Ų61.531%0.30929%0.291SS..EExtended strand (participates in β ladder)trans-66.7135.8172.2-174.517051.492.43.2109.6R37 S39 I41 Y109R35-R37 PolarHBondContact O-N 2.71Å; R35-S39 PolarHBondContact NH1-O 3.3Å; R35-I41 WeakPolarHBondContact CD-O 3.29Å; R35-I41 HydrophobicContact CG-CG1 4.38Å; R35-I41 PolarHBondContact NE-O 3.17Å; R35-Y109 VanDerWaalsContact CA-CE1 3.44Å; R35-Y109 HydrophobicContact CB-CE1 3.85Å; R35-Y109 HydrophobicContact CB-CE2 4.16Å; R35-Y109 HydrophobicContact CG-CE2 4.14Å
36H93.1Very high95.3Very high24 Ų2462.7 Ų62.711%0.11130%0.298CS..  trans-61.4133.7171.7-171-102.8000110.3E34 H38 S39 Y109 F115E34-H36 PolarHBondContact O-N 2.83Å; H36-H38 AromaticContact CE1-CD2 3.7Å; H36-H38 PolarHBondContact O-N 3.47Å; H36-S39 VanDerWaalsContact O-CB 3.3Å; H36-S39 WeakPolarHBondContact O-CB 3.49Å; H36-S39 PolarHBondContact O-N 2.71Å; H36-Y109 WeakPolarHBondContact CB-O 3.36Å; H36-Y109 PolarHBondContact N-O 2.87Å; H36-F115 AromaticContact CD2-CE1 3.91Å; H36-F115 AromaticContact NE2-CD1 3.6Å; H36-F115 AromaticContact NE2-CE1 3.55Å
37R88.8Confident95.3Very high200 Ų20061.7 Ų61.776%0.75529%0.286SS*.THydrogen-bonded Turntrans-54-28.9-170.768.2-176.6-178.1-176.11.9115.5R35R35-R37 PolarHBondContact O-N 2.71Å
38H87.2Confident95.3Very high108 Ų10859.9 Ų59.950%0.527%0.273SS..THydrogen-bonded Turntrans-94.7-4.7-179.4-59.2-58.7000113.7H36H36-H38 AromaticContact CE1-CD2 3.7Å; H36-H38 PolarHBondContact O-N 3.47Å
39S91.8Very high95.2Very high1 Ų156.2 Ų56.21%0.00726%0.26CS..  trans-78.1141.6-176.6-150.30000111.9R35 H36 S110 G111R35-S39 PolarHBondContact NH1-O 3.3Å; H36-S39 VanDerWaalsContact O-CB 3.3Å; H36-S39 WeakPolarHBondContact O-CB 3.49Å; H36-S39 PolarHBondContact O-N 2.71Å; S39-S110 WeakPolarHBondContact CB-OG 3.44Å; S39-S110 VanDerWaalsContact OG-CA 3.22Å; S39-S110 WeakPolarHBondContact OG-CA 3.43Å; S39-S110 PolarHBondContact OG-OG 3.46Å; S39-G111 PolarHBondContact OG-N 2.6Å
40Q91.1Very high95.2Very high170 Ų17058.4 Ų58.479%0.79427%0.271SS*.  trans-96.42.1178.4-59-58.6-38.300113.8
41I94Very high95.2Very high22 Ų2258.7 Ų58.711%0.11327%0.272CS..SBendtrans-73.3161.4176.362.7178.3000111.3R35 I68 L76 Y109R35-I41 WeakPolarHBondContact CD-O 3.29Å; R35-I41 HydrophobicContact CG-CG1 4.38Å; R35-I41 PolarHBondContact NE-O 3.17Å; I41-I68 HydrophobicContact CD1-CD1 4.22Å; I41-L76 HydrophobicContact CD1-CD1 3.8Å; I41-Y109 HydrophobicContact CD1-CD2 3.27Å; I41-Y109 HydrophobicContact CD1-CE2 3.41Å; I41-Y109 VanDerWaalsContact CD1-CE2 3.41Å; I41-Y109 HydrophobicContact CG1-CD2 4.19Å; I41-Y109 HydrophobicContact CG1-CE2 3.86Å
42P95.7Very high95.2Very high62 Ų6260.6 Ų60.640%0.40329%0.285SS..PPolyproline II helixtrans-59.1148.5179.5-24.735.5000113.4I68 I70 Y109P42-I68 HydrophobicContact CB-CB 4.39Å; P42-I70 HydrophobicContact CG-CG2 4.11Å; P42-Y109 PolarHBondContact O-OH 3.2Å
43D95.4Very high95.2Very high84 Ų8463.4 Ų63.445%0.44930%0.3SS..PPolyproline II helixtrans-73.1154.4170.1-153.3-11.8000110.5H47 Y109D43-H47 IonicContact OD1-NE2 3.5Å; D43-H47 PolarHBondContact OD1-NE2 2.78Å; D43-H47 VanDerWaalsContact OD1-NE2 3.16Å; D43-H47 IonicContact OD2-NE2 2.6Å; D43-Y109 WeakPolarHBondContact CA-OH 3.21Å
44I96.5Very high95.2Very high4 Ų468.6 Ų68.62%0.02133%0.328CS..PPolyproline II helixtrans-87138.9178.5-164161000109.6K46 H47 F49 I64 R67 I68 Y109I44-K46 VanDerWaalsContact C-N 3.27Å; I44-K46 PolarHBondContact O-N 3.16Å; I44-H47 PolarHBondContact O-CE1 2.98Å; I44-H47 PolarHBondContact O-NE2 3.18Å; I44-F49 HydrophobicContact CD1-CE2 3.83Å; I44-F49 HydrophobicContact CD1-CZ 3.46Å; I44-F49 VanDerWaalsContact CD1-CZ 3.46Å; I44-F49 HydrophobicContact CG1-CZ 4.21Å; I44-I64 HydrophobicContact CD1-CD1 3.62Å; I44-I64 HydrophobicContact CD1-CG2 4.32Å; I44-R67 HydrophobicContact CD1-CB 3.9Å; I44-R67 HydrophobicContact CD1-CG 4.47Å; I44-R67 HydrophobicContact CG1-CB 4.06Å; I44-I68 HydrophobicContact CB-CG2 3.77Å; I44-I68 HydrophobicContact CD1-CG2 4.27Å; I44-I68 HydrophobicContact CG1-CG2 3.96Å; I44-Y109 HydrophobicContact CB-CE1 4.22Å; I44-Y109 HydrophobicContact CG2-CE1 4.09Å; I44-Y109 PolarHBondContact N-OH 2.77Å
45D94.1Very high95.3Very high115 Ų11568.5 Ų68.562%0.61533%0.329SS*.SBendtrans-65.1-32-176.969.9-38.4000112.9R67D45-R67 WeakPolarHBondContact OD1-CD 3.41Å; D45-R67 IonicContact OD1-CZ 2.81Å; D45-R67 IonicContact OD1-NE 3.82Å; D45-R67 IonicContact OD1-NH1 3.16Å; D45-R67 PolarHBondContact OD1-NH1 2.92Å; D45-R67 IonicContact OD2-CZ 2.6Å; D45-R67 IonicContact OD2-NH1 3.98Å; D45-R67 PolarHBondContact OD2-NH1 3.43Å
46K95.5Very high95.4Very high117 Ų11766.3 Ų66.351%0.50932%0.324SS..  trans-132.1123.7179.3-170.7177-175.31770109.7I44 K48 F49I44-K46 VanDerWaalsContact C-N 3.27Å; I44-K46 PolarHBondContact O-N 3.16Å; K46-K48 VanDerWaalsContact CE-O 3.26Å; K46-K48 WeakPolarHBondContact CE-O 3.35Å; K46-F49 WeakPolarHBondContact O-CE2 3.03Å; K46-F49 WeakPolarHBondContact O-CZ 3.34Å
47H97Very high95.7Very high62 Ų6265.2 Ų65.229%0.28732%0.32SS..  trans-87.3-20.4-178.8-56.378.5000113.5V32 V33 D43 I44V32-H47 CarbonylContact C-O 3.42Å; V32-H47 WeakPolarHBondContact CA-O 3.23Å; V33-H47 PolarHBondContact N-O 2.76Å; V33-H47 WeakPolarHBondContact O-CA 3.33Å; V33-H47 WeakPolarHBondContact O-CB 3.28Å; V33-H47 PolarHBondContact O-CD2 2.83Å; D43-H47 IonicContact OD1-NE2 3.5Å; D43-H47 PolarHBondContact OD1-NE2 2.78Å; D43-H47 VanDerWaalsContact OD1-NE2 3.16Å; D43-H47 IonicContact OD2-NE2 2.6Å; I44-H47 PolarHBondContact O-CE1 2.98Å; I44-H47 PolarHBondContact O-NE2 3.18Å
48K97.3Very high96.1Very high74 Ų7458 Ų5832%0.32230%0.302SS..EExtended strand (participates in β ladder)trans-103.6125.6-178.8-72.9173.359.8-179.50112.8F5 D17 V31 V32 K46F5-K48 HydrophobicContact CD2-CD 4.44Å; F5-K48 HydrophobicContact CE2-CD 3.69Å; F5-K48 HydrophobicContact CE2-CG 4.36Å; F5-K48 HydrophobicContact CZ-CD 3.99Å; D17-K48 WeakPolarHBondContact OD2-CE 3.35Å; D17-K48 IonicContact OD2-NZ 3.78Å; D17-K48 PolarHBondContact OD2-NZ 2.87Å; V31-K48 WeakPolarHBondContact O-CA 3.2Å; V32-K48 HydrophobicContact CG2-CG 4.36Å; K46-K48 VanDerWaalsContact CE-O 3.26Å; K46-K48 WeakPolarHBondContact CE-O 3.35Å
49F97.9Very high96.6Very high30 Ų3057.8 Ų57.813%0.13230%0.302CS..EExtended strand (participates in β ladder)trans-123.4152.4178.8-63.4-92.6000111.5V31 V33 I44 K46 V51 I64V31-F49 HydrophobicContact CB-CB 4.36Å; V31-F49 PolarHBondContact N-O 2.91Å; V31-F49 PolarHBondContact O-N 3.15Å; V33-F49 HydrophobicContact CB-CD2 4.09Å; V33-F49 HydrophobicContact CB-CE2 3.9Å; V33-F49 HydrophobicContact CG2-CD2 3.62Å; V33-F49 HydrophobicContact CG2-CE2 3.87Å; I44-F49 HydrophobicContact CD1-CE2 3.83Å; I44-F49 HydrophobicContact CD1-CZ 3.46Å; I44-F49 VanDerWaalsContact CD1-CZ 3.46Å; I44-F49 HydrophobicContact CG1-CZ 4.21Å; K46-F49 WeakPolarHBondContact O-CE2 3.03Å; K46-F49 WeakPolarHBondContact O-CZ 3.34Å; F49-V51 HydrophobicContact CB-CG2 3.79Å; F49-I64 HydrophobicContact CE2-CD1 4.27Å; F49-I64 HydrophobicContact CZ-CD1 4.2Å
50L98.1Very high96.9Very high47 Ų4757.8 Ų57.825%0.24630%0.302CS..EExtended strand (participates in β ladder)trans-123.695.5170.8-172.370.6000108.4I21 Y25 R28 V29 P30I21-L50 HydrophobicContact CD1-CD2 4.19Å; I21-L50 HydrophobicContact CG1-CD1 3.86Å; I21-L50 HydrophobicContact CG1-CD2 3.89Å; I21-L50 HydrophobicContact CG1-CG 4.44Å; I21-L50 HydrophobicContact CG2-CD1 4.38Å; Y25-L50 HydrophobicContact CD2-CD2 3.43Å; Y25-L50 VanDerWaalsContact CD2-CD2 3.43Å; Y25-L50 HydrophobicContact CE2-CD2 4.03Å; Y25-L50 HydrophobicContact CG-CD2 3.78Å; R28-L50 HydrophobicContact CB-CD1 3.73Å; R28-L50 HydrophobicContact CB-CD2 4.19Å; R28-L50 HydrophobicContact CB-CG 3.63Å; R28-L50 HydrophobicContact CG-CG 4.35Å; R28-L50 PolarHBondContact NH1-O 2.81Å; V29-L50 WeakPolarHBondContact O-CA 3.06Å; P30-L50 HydrophobicContact CB-CD1 4.46Å
51V98.2Very high97.1Very high7 Ų751.7 Ų51.74%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-102.6134.9-165.4-167.60000109.6R28 V29 V31 F49 V55 F60 I91R28-V51 CarbonylContact C-O 3.59Å; R28-V51 WeakPolarHBondContact CA-O 3.44Å; V29-V51 PolarHBondContact N-O 3.02Å; V29-V51 PolarHBondContact O-N 3.41Å; V31-V51 HydrophobicContact CB-CG2 4.36Å; V31-V51 HydrophobicContact CG2-CB 4.38Å; V31-V51 HydrophobicContact CG2-CG2 3.81Å; F49-V51 HydrophobicContact CB-CG2 3.79Å; V51-V55 HydrophobicContact CG1-CB 3.92Å; V51-V55 HydrophobicContact CG1-CG1 4Å; V51-V55 HydrophobicContact CG1-CG2 4.13Å; V51-F60 HydrophobicContact CG1-CD2 4.04Å; V51-F60 HydrophobicContact CG1-CE2 4.32Å; V51-F60 HydrophobicContact CG2-CD2 4.03Å; V51-F60 HydrophobicContact CG2-CE2 3.46Å; V51-F60 VanDerWaalsContact CG2-CE2 3.46Å; V51-F60 HydrophobicContact CG2-CZ 4.14Å; V51-I91 HydrophobicContact CB-CG2 4.24Å; V51-I91 HydrophobicContact CG1-CB 4.42Å; V51-I91 HydrophobicContact CG1-CG1 4.06Å; V51-I91 HydrophobicContact CG1-CG2 4.4Å
52P98.5Very high97.2Very high40 Ų4058.2 Ų58.226%0.2630%0.297SS..EExtended strand (participates in β ladder)trans-54.8143.8169.7-21.432.1000111.7D54 V55P52-D54 VanDerWaalsContact C-N 3.28Å; P52-D54 WeakPolarHBondContact CB-OD1 2.92Å; P52-D54 PolarHBondContact O-N 2.93Å; P52-V55 HydrophobicContact CB-CG2 3.98Å; P52-V55 HydrophobicContact CG-CG2 4.1Å; P52-V55 PolarHBondContact O-N 3.44Å
53D98.3Very high97.3Very high59 Ų5958.1 Ų58.132%0.31629%0.292SS..THydrogen-bonded Turntrans-71.1-19.9-174.754.19000114.3N27 V29 T90 G92N27-D53 PolarHBondContact O-N 2.84Å; N27-D53 VanDerWaalsContact O-N 3.17Å; V29-D53 HydrophobicContact CG2-CB 4.24Å; D53-T90 WeakPolarHBondContact O-CB 3.21Å; D53-T90 PolarHBondContact O-OG1 3.26Å; D53-T90 VanDerWaalsContact O-OG1 3.05Å; D53-G92 WeakPolarHBondContact O-CA 3.35Å; D53-G92 PolarHBondContact O-N 3.27Å
54D98.2Very high97.3Very high110 Ų11054.1 Ų54.159%0.58827%0.271SS*.THydrogen-bonded Turntrans-86.4-13.4177.967-24.4000114.2P52 T56P52-D54 VanDerWaalsContact C-N 3.28Å; P52-D54 WeakPolarHBondContact CB-OD1 2.92Å; P52-D54 PolarHBondContact O-N 2.93Å; D54-T56 PolarHBondContact O-N 2.97Å
55V98.4Very high97.3Very high20 Ų2056.3 Ų56.312%0.12128%0.279CS..  trans-60.7130.8175.9168.90000109.7V51 P52 Q59 F60 T90 I91V51-V55 HydrophobicContact CG1-CB 3.92Å; V51-V55 HydrophobicContact CG1-CG1 4Å; V51-V55 HydrophobicContact CG1-CG2 4.13Å; P52-V55 HydrophobicContact CB-CG2 3.98Å; P52-V55 HydrophobicContact CG-CG2 4.1Å; P52-V55 PolarHBondContact O-N 3.44Å; V55-Q59 HydrophobicContact CG1-CB 3.85Å; V55-F60 HydrophobicContact CG1-CB 4.18Å; V55-T90 CarbonylContact O-C 3.55Å; V55-T90 VanDerWaalsContact O-CA 3.26Å; V55-T90 WeakPolarHBondContact O-CA 3.43Å; V55-I91 HydrophobicContact CB-CG1 4.38Å; V55-I91 HydrophobicContact CG1-CG1 4.25Å; V55-I91 WeakPolarHBondContact O-CG1 3.34Å; V55-I91 PolarHBondContact O-N 2.96Å
56T98.6Very high97.4Very high36 Ų3657.4 Ų57.422%0.22128%0.278CS..BIsolated β-bridgetrans-78.4157.6176.166.10000111.9D54 A58 Q59 F60 A89D54-T56 PolarHBondContact O-N 2.97Å; T56-A58 PolarHBondContact O-N 2.72Å; T56-Q59 PolarHBondContact O-N 3.45Å; T56-Q59 VanDerWaalsContact O-N 3.13Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.34Å; T56-Q59 PolarHBondContact OG1-N 3.37Å; T56-Q59 PolarHBondContact OG1-OE1 3.41Å; T56-F60 PolarHBondContact O-N 3.4Å; T56-A89 CarbonylContact C-O 3.55Å; T56-A89 VanDerWaalsContact CA-O 3.3Å; T56-A89 WeakPolarHBondContact CA-O 3.39Å
57V98.2Very high97.4Very high2 Ų257.2 Ų57.21%0.01227%0.274CS..Hα-helixtrans-54.9-40.8171.9169.80000111Q59 F60 M61 L78 P85 Q86 A89 I91 L94V57-Q59 PolarHBondContact O-N 2.89Å; V57-F60 PolarHBondContact O-N 3.06Å; V57-M61 HydrophobicContact CG1-CG 4.32Å; V57-M61 HydrophobicContact CG1-SD 4.06Å; V57-M61 WeakPolarHBondContact O-CB 3.2Å; V57-M61 VanDerWaalsContact O-CG 3.25Å; V57-M61 WeakPolarHBondContact O-CG 3.14Å; V57-M61 PolarHBondContact O-N 3.48Å; V57-L78 HydrophobicContact CG1-CD1 4.37Å; V57-P85 HydrophobicContact CG1-CG 3.99Å; V57-P85 HydrophobicContact CG2-CB 4.13Å; V57-P85 HydrophobicContact CG2-CG 4.16Å; V57-Q86 WeakPolarHBondContact CB-O 3.19Å; V57-A89 HydrophobicContact CG2-CB 4.47Å; V57-A89 WeakPolarHBondContact CG2-O 3.24Å; V57-A89 PolarHBondContact N-O 2.82Å; V57-I91 HydrophobicContact CG2-CD1 4.4Å; V57-L94 HydrophobicContact CG2-CD1 3.4Å; V57-L94 VanDerWaalsContact CG2-CD1 3.4Å; V57-L94 HydrophobicContact CG2-CG 4.22Å
58A97.7Very high97.4Very high47 Ų4754.6 Ų54.639%0.38826%0.262SS..Hα-helixtrans-59.9-45176.200000112.8T56 F60 M61 W62 T87T56-A58 PolarHBondContact O-N 2.72Å; A58-F60 VanDerWaalsContact C-N 3.35Å; A58-M61 PolarHBondContact O-N 2.87Å; A58-W62 PolarHBondContact O-N 2.85Å; A58-W62 VanDerWaalsContact O-N 3.1Å; A58-T87 WeakPolarHBondContact CB-O 3.36Å; A58-T87 PolarHBondContact N-O 2.82Å
59Q98.1Very high97.3Very high105 Ų10558.2 Ų58.249%0.49129%0.285SS..Hα-helixtrans-65.1-40.8175.8-73168.6-32.300111.2V55 T56 V57 W62 I63V55-Q59 HydrophobicContact CG1-CB 3.85Å; T56-Q59 PolarHBondContact O-N 3.45Å; T56-Q59 VanDerWaalsContact O-N 3.13Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.34Å; T56-Q59 PolarHBondContact OG1-N 3.37Å; T56-Q59 PolarHBondContact OG1-OE1 3.41Å; V57-Q59 PolarHBondContact O-N 2.89Å; Q59-W62 WeakPolarHBondContact O-CB 3.44Å; Q59-W62 PolarHBondContact O-N 3.42Å; Q59-I63 WeakPolarHBondContact O-CG1 3.42Å; Q59-I63 PolarHBondContact O-N 3.05Å
60F97.9Very high97Very high1 Ų157.3 Ų57.30%0.00428%0.281CS..Hα-helixtrans-65.3-42.4177.4-167.5-117.5000112.1V31 V33 V51 V55 T56 V57 A58 W62 I63 I64 L78 I91 I107V31-F60 HydrophobicContact CG1-CE1 4.36Å; V31-F60 HydrophobicContact CG1-CZ 4.17Å; V33-F60 HydrophobicContact CG2-CE1 3.84Å; V33-F60 HydrophobicContact CG2-CZ 3.62Å; V51-F60 HydrophobicContact CG1-CD2 4.04Å; V51-F60 HydrophobicContact CG1-CE2 4.32Å; V51-F60 HydrophobicContact CG2-CD2 4.03Å; V51-F60 HydrophobicContact CG2-CE2 3.46Å; V51-F60 VanDerWaalsContact CG2-CE2 3.46Å; V51-F60 HydrophobicContact CG2-CZ 4.14Å; V55-F60 HydrophobicContact CG1-CB 4.18Å; T56-F60 PolarHBondContact O-N 3.4Å; V57-F60 PolarHBondContact O-N 3.06Å; A58-F60 VanDerWaalsContact C-N 3.35Å; F60-W62 PolarHBondContact O-N 2.85Å; F60-I63 HydrophobicContact CD2-CD1 4.43Å; F60-I63 WeakPolarHBondContact O-CB 3.39Å; F60-I63 PolarHBondContact O-N 3.33Å; F60-I64 HydrophobicContact CD1-CG1 4.24Å; F60-I64 HydrophobicContact CE1-CD1 4.09Å; F60-I64 HydrophobicContact CE1-CG1 3.97Å; F60-I64 HydrophobicContact CE2-CD1 4.25Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 4.18Å; F60-I64 WeakPolarHBondContact O-CG1 3.08Å; F60-I64 PolarHBondContact O-N 3.4Å; F60-L78 HydrophobicContact CD1-CD1 3.89Å; F60-I91 HydrophobicContact CB-CD1 3.91Å; F60-I91 HydrophobicContact CB-CG1 4.26Å; F60-I91 HydrophobicContact CD1-CD1 4.01Å; F60-I91 HydrophobicContact CG-CD1 3.96Å; F60-I91 HydrophobicContact CG-CG1 4.38Å; F60-I107 HydrophobicContact CD1-CD1 4.16Å; F60-I107 HydrophobicContact CE1-CD1 3.8Å
61M96.5Very high96.7Very high42 Ų4257.3 Ų57.321%0.20729%0.285CS..Hα-helixtrans-55.3-40.8171.8-76.1177.371.100112V57 A58 I64 R65 L76 L78 T87V57-M61 HydrophobicContact CG1-CG 4.32Å; V57-M61 HydrophobicContact CG1-SD 4.06Å; V57-M61 WeakPolarHBondContact O-CB 3.2Å; V57-M61 VanDerWaalsContact O-CG 3.25Å; V57-M61 WeakPolarHBondContact O-CG 3.14Å; V57-M61 PolarHBondContact O-N 3.48Å; A58-M61 PolarHBondContact O-N 2.87Å; M61-I64 PolarHBondContact O-N 3.01Å; M61-R65 VanDerWaalsContact O-CB 3.24Å; M61-R65 WeakPolarHBondContact O-CB 3.5Å; M61-R65 PolarHBondContact O-N 3.48Å; M61-L76 WeakPolarHBondContact CE-O 3.49Å; M61-L78 HydrophobicContact CB-CD1 4.45Å; M61-L78 HydrophobicContact CG-CD1 3.35Å; M61-L78 HydrophobicContact CG-CG 3.58Å; M61-L78 HydrophobicContact SD-CD1 4.47Å; M61-L78 HydrophobicContact SD-CG 4.39Å; M61-T87 HydrophobicContact SD-CG2 4.4Å
62W95.9Very high96.3Very high159 Ų15961.9 Ų61.960%0.60232%0.318SS*.Hα-helixtrans-64.3-41.2175.8-176.992.1000112.2A58 Q59 F60 R65 K66A58-W62 PolarHBondContact O-N 2.85Å; A58-W62 VanDerWaalsContact O-N 3.1Å; Q59-W62 WeakPolarHBondContact O-CB 3.44Å; Q59-W62 PolarHBondContact O-N 3.42Å; F60-W62 PolarHBondContact O-N 2.85Å; W62-R65 PolarHBondContact O-N 2.86Å; W62-K66 HydrophobicContact CD2-CG 4.22Å; W62-K66 HydrophobicContact CE3-CG 4.36Å; W62-K66 HydrophobicContact CH2-CG 4.19Å; W62-K66 HydrophobicContact CZ2-CD 4.41Å; W62-K66 HydrophobicContact CZ2-CG 4.03Å; W62-K66 HydrophobicContact CZ3-CG 4.35Å; W62-K66 WeakPolarHBondContact O-CG 3.43Å; W62-K66 PolarHBondContact O-N 3.19Å
63I96.2Very high95.9Very high60 Ų6067 Ų6731%0.30834%0.338SS..Hα-helixtrans-61.3-48.5174.9-65.1166.6000110.7Q59 F60 K66 R67Q59-I63 WeakPolarHBondContact O-CG1 3.42Å; Q59-I63 PolarHBondContact O-N 3.05Å; F60-I63 HydrophobicContact CD2-CD1 4.43Å; F60-I63 WeakPolarHBondContact O-CB 3.39Å; F60-I63 PolarHBondContact O-N 3.33Å; I63-K66 PolarHBondContact O-N 3.33Å; I63-R67 WeakPolarHBondContact O-CG 3.42Å; I63-R67 PolarHBondContact O-N 3.04Å
64I96.9Very high95.5Very high0 Ų069.9 Ų69.90%035%0.348CS..Hα-helixtrans-61-47.6178.5-62.1-51.8000110.4V33 I44 F49 F60 M61 K66 R67 I68 L76 Y109V33-I64 HydrophobicContact CB-CD1 4.5Å; V33-I64 HydrophobicContact CG1-CD1 4Å; V33-I64 HydrophobicContact CG2-CD1 4.17Å; I44-I64 HydrophobicContact CD1-CD1 3.62Å; I44-I64 HydrophobicContact CD1-CG2 4.32Å; F49-I64 HydrophobicContact CE2-CD1 4.27Å; F49-I64 HydrophobicContact CZ-CD1 4.2Å; F60-I64 HydrophobicContact CD1-CG1 4.24Å; F60-I64 HydrophobicContact CE1-CD1 4.09Å; F60-I64 HydrophobicContact CE1-CG1 3.97Å; F60-I64 HydrophobicContact CE2-CD1 4.25Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 4.18Å; F60-I64 WeakPolarHBondContact O-CG1 3.08Å; F60-I64 PolarHBondContact O-N 3.4Å; M61-I64 PolarHBondContact O-N 3.01Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 3.01Å; I64-R67 WeakPolarHBondContact O-CB 3.38Å; I64-R67 PolarHBondContact O-N 3.01Å; I64-I68 HydrophobicContact CG2-CD1 4.41Å; I64-I68 WeakPolarHBondContact O-CG1 2.88Å; I64-I68 PolarHBondContact O-N 3.06Å; I64-L76 HydrophobicContact CB-CD2 4.38Å; I64-L76 HydrophobicContact CG2-CD2 4.16Å; I64-Y109 HydrophobicContact CG2-CD2 4.46Å; I64-Y109 HydrophobicContact CG2-CG 4.33Å
65R96Very high95.2Very high50 Ų5066.9 Ų66.919%0.18934%0.338CS..Hα-helixtrans-53.3-44.5176.6174.4177.6-74.5-89.114.6112.5M61 W62 D69 I70 S71 S72 K74 L76M61-R65 VanDerWaalsContact O-CB 3.24Å; M61-R65 WeakPolarHBondContact O-CB 3.5Å; M61-R65 PolarHBondContact O-N 3.48Å; W62-R65 PolarHBondContact O-N 2.86Å; R65-D69 PolarHBondContact O-N 3.31Å; R65-I70 HydrophobicContact CB-CG1 4.43Å; R65-I70 HydrophobicContact CG-CG1 3.83Å; R65-I70 WeakPolarHBondContact CG-O 3.38Å; R65-I70 PolarHBondContact NH1-O 3.37Å; R65-I70 PolarHBondContact O-N 3.24Å; R65-S71 PolarHBondContact NH1-O 3.45Å; R65-S72 PolarHBondContact NH2-O 2.86Å; R65-K74 PolarHBondContact NH1-O 3.31Å; R65-K74 PolarHBondContact NH2-O 3.29Å; R65-L76 HydrophobicContact CB-CD2 3.94Å
66K95.2Very high95.1Very high138 Ų13866.4 Ų66.460%0.634%0.335SS*.Hα-helixtrans-67.3-35.1177.1-73.7-66.9-174.7-1770112.7W62 I63 I64W62-K66 HydrophobicContact CD2-CG 4.22Å; W62-K66 HydrophobicContact CE3-CG 4.36Å; W62-K66 HydrophobicContact CH2-CG 4.19Å; W62-K66 HydrophobicContact CZ2-CD 4.41Å; W62-K66 HydrophobicContact CZ2-CG 4.03Å; W62-K66 HydrophobicContact CZ3-CG 4.35Å; W62-K66 WeakPolarHBondContact O-CG 3.43Å; W62-K66 PolarHBondContact O-N 3.19Å; I63-K66 PolarHBondContact O-N 3.33Å; I64-K66 VanDerWaalsContact C-N 3.29Å; I64-K66 PolarHBondContact O-N 3.01Å
67R96.2Very high94.9Very high113 Ų11367.4 Ų67.443%0.42634%0.337SS..Hα-helixtrans-69.6-39.3178.9-84-91.9176.3171.2-10.9113.4I44 D45 I63 I64 D69I44-R67 HydrophobicContact CD1-CB 3.9Å; I44-R67 HydrophobicContact CD1-CG 4.47Å; I44-R67 HydrophobicContact CG1-CB 4.06Å; D45-R67 WeakPolarHBondContact OD1-CD 3.41Å; D45-R67 IonicContact OD1-CZ 2.81Å; D45-R67 IonicContact OD1-NE 3.82Å; D45-R67 IonicContact OD1-NH1 3.16Å; D45-R67 PolarHBondContact OD1-NH1 2.92Å; D45-R67 IonicContact OD2-CZ 2.6Å; D45-R67 IonicContact OD2-NH1 3.98Å; D45-R67 PolarHBondContact OD2-NH1 3.43Å; I63-R67 WeakPolarHBondContact O-CG 3.42Å; I63-R67 PolarHBondContact O-N 3.04Å; I64-R67 WeakPolarHBondContact O-CB 3.38Å; I64-R67 PolarHBondContact O-N 3.01Å; R67-D69 VanDerWaalsContact C-N 3.33Å
68I96.5Very high94.8Very high7 Ų767.6 Ų67.64%0.03634%0.338CS..THydrogen-bonded Turntrans-91.84.8-17967.3176.8000113.5I41 P42 I44 I64 I70 L76 Y109I41-I68 HydrophobicContact CD1-CD1 4.22Å; P42-I68 HydrophobicContact CB-CB 4.39Å; I44-I68 HydrophobicContact CB-CG2 3.77Å; I44-I68 HydrophobicContact CD1-CG2 4.27Å; I44-I68 HydrophobicContact CG1-CG2 3.96Å; I64-I68 HydrophobicContact CG2-CD1 4.41Å; I64-I68 WeakPolarHBondContact O-CG1 2.88Å; I64-I68 PolarHBondContact O-N 3.06Å; I68-I70 HydrophobicContact CD1-CD1 3.6Å; I68-I70 HydrophobicContact CD1-CG1 3.91Å; I68-I70 HydrophobicContact CD1-CG2 4.08Å; I68-I70 HydrophobicContact CG1-CB 4.42Å; I68-I70 HydrophobicContact CG1-CD1 4.17Å; I68-I70 HydrophobicContact CG1-CG1 3.89Å; I68-I70 HydrophobicContact CG1-CG2 3.97Å; I68-I70 PolarHBondContact O-N 2.89Å; I68-L76 HydrophobicContact CD1-CD1 4.07Å; I68-Y109 HydrophobicContact CD1-CD2 4.12Å; I68-Y109 HydrophobicContact CD1-CE2 3.75Å; I68-Y109 HydrophobicContact CG2-CE2 4.2Å
69D94.9Very high94.7Very high149 Ų14965.6 Ų65.680%0.79732%0.32SS*.THydrogen-bonded Turntrans4950.7178.6-162.632.1000114.4R65 R67R65-D69 PolarHBondContact O-N 3.31Å; R67-D69 VanDerWaalsContact C-N 3.33Å
70I92.9Very high94.5Very high11 Ų1160.7 Ų60.76%0.05630%0.297CS..  trans-103.9133172.867.2173.4000111.7P42 R65 I68 K74 L76P42-I70 HydrophobicContact CG-CG2 4.11Å; R65-I70 HydrophobicContact CB-CG1 4.43Å; R65-I70 HydrophobicContact CG-CG1 3.83Å; R65-I70 WeakPolarHBondContact CG-O 3.38Å; R65-I70 PolarHBondContact NH1-O 3.37Å; R65-I70 PolarHBondContact O-N 3.24Å; I68-I70 HydrophobicContact CD1-CD1 3.6Å; I68-I70 HydrophobicContact CD1-CG1 3.91Å; I68-I70 HydrophobicContact CD1-CG2 4.08Å; I68-I70 HydrophobicContact CG1-CB 4.42Å; I68-I70 HydrophobicContact CG1-CD1 4.17Å; I68-I70 HydrophobicContact CG1-CG1 3.89Å; I68-I70 HydrophobicContact CG1-CG2 3.97Å; I68-I70 PolarHBondContact O-N 2.89Å; I70-K74 HydrophobicContact CB-CD 4.46Å; I70-L76 HydrophobicContact CD1-CB 3.97Å; I70-L76 HydrophobicContact CD1-CD1 4.16Å; I70-L76 HydrophobicContact CD1-CD2 4.32Å; I70-L76 HydrophobicContact CD1-CG 4.38Å
71S90.9Very high94.1Very high47 Ų4765.7 Ų65.733%0.32932%0.321SS..  trans-66146.418062.80000112.6R65 E73 K74R65-S71 PolarHBondContact NH1-O 3.45Å; S71-E73 WeakPolarHBondContact CB-OE1 3.21Å; S71-E73 WeakPolarHBondContact CB-OE2 3.45Å; S71-E73 PolarHBondContact O-N 2.75Å; S71-E73 PolarHBondContact OG-OE1 3.3Å; S71-E73 PolarHBondContact OG-OE2 2.79Å; S71-K74 PolarHBondContact O-N 2.99Å
72S90Very high93.5Very high103 Ų10371.3 Ų71.372%0.7234%0.344SS*.THydrogen-bonded Turntrans-49.3-30.8-172.535.60000114.8R65R65-S72 PolarHBondContact NH2-O 2.86Å
73E89.7Confident93.2Very high149 Ų14968.1 Ų68.170%0.69634%0.339SS*.THydrogen-bonded Turntrans-74.5-24.1179.762.3-84.5-174.900114.4S71S71-E73 WeakPolarHBondContact CB-OE1 3.21Å; S71-E73 WeakPolarHBondContact CB-OE2 3.45Å; S71-E73 PolarHBondContact O-N 2.75Å; S71-E73 PolarHBondContact OG-OE1 3.3Å; S71-E73 PolarHBondContact OG-OE2 2.79Å
74K91Very high93.1Very high118 Ų11869.9 Ų69.951%0.51335%0.347SS..SBendtrans-74.8135.4174.7-70-171.8177.8-178.70110R65 I70 S71R65-K74 PolarHBondContact NH1-O 3.31Å; R65-K74 PolarHBondContact NH2-O 3.29Å; I70-K74 HydrophobicContact CB-CD 4.46Å; S71-K74 PolarHBondContact O-N 2.99Å
75A92.7Very high93Very high47 Ų4771 Ų7139%0.38835%0.354SS..  trans-68.9149.6177.100000111.9F77 G111A75-F77 HydrophobicContact CB-CD2 4.42Å; A75-F77 HydrophobicContact CB-CE2 3.54Å; A75-F77 HydrophobicContact CB-CZ 3.98Å; A75-G111 WeakPolarHBondContact O-CA 3.45Å
76L95Very high93.1Very high10 Ų1075.4 Ų75.45%0.05238%0.377CS..  trans-143.4126.5173.1-179.364.9000107.7I41 M61 I64 R65 I68 I70 Y109I41-L76 HydrophobicContact CD1-CD1 3.8Å; M61-L76 WeakPolarHBondContact CE-O 3.49Å; I64-L76 HydrophobicContact CB-CD2 4.38Å; I64-L76 HydrophobicContact CG2-CD2 4.16Å; R65-L76 HydrophobicContact CB-CD2 3.94Å; I68-L76 HydrophobicContact CD1-CD1 4.07Å; I70-L76 HydrophobicContact CD1-CB 3.97Å; I70-L76 HydrophobicContact CD1-CD1 4.16Å; I70-L76 HydrophobicContact CD1-CD2 4.32Å; I70-L76 HydrophobicContact CD1-CG 4.38Å; L76-Y109 HydrophobicContact CD1-CD2 3.73Å; L76-Y109 HydrophobicContact CD1-CG 4.35Å
77F94.8Very high93.1Very high58 Ų5872.8 Ų72.825%0.25437%0.372SS..EExtended strand (participates in β ladder)trans-122.3140.9177.4-57.7-82.9000108.8A75 F79 M84 Y109 S110 N113A75-F77 HydrophobicContact CB-CD2 4.42Å; A75-F77 HydrophobicContact CB-CE2 3.54Å; A75-F77 HydrophobicContact CB-CZ 3.98Å; F77-F79 HydrophobicContact CB-CE2 3.67Å; F77-F79 HydrophobicContact CB-CZ 3.79Å; F77-M84 HydrophobicContact CB-SD 4.4Å; F77-M84 HydrophobicContact CD1-SD 3.83Å; F77-M84 HydrophobicContact CG-SD 4.41Å; F77-Y109 CarbonylContact O-C 3.54Å; F77-Y109 WeakPolarHBondContact O-CA 3.42Å; F77-S110 PolarHBondContact N-O 2.92Å; F77-S110 PolarHBondContact O-N 2.78Å; F77-N113 HydrophobicContact CD1-CB 3.89Å; F77-N113 HydrophobicContact CD2-CB 4Å; F77-N113 HydrophobicContact CE1-CB 3.68Å; F77-N113 HydrophobicContact CE2-CB 3.78Å; F77-N113 HydrophobicContact CG-CB 4.05Å; F77-N113 HydrophobicContact CZ-CB 3.64Å
78L95.8Very high93.2Very high6 Ų671.8 Ų71.83%0.03138%0.383CS..EExtended strand (participates in β ladder)trans-105.8147.5170.2-60.2-175.3000109.2V57 F60 M61 P85 I107 S108V57-L78 HydrophobicContact CG1-CD1 4.37Å; F60-L78 HydrophobicContact CD1-CD1 3.89Å; M61-L78 HydrophobicContact CB-CD1 4.45Å; M61-L78 HydrophobicContact CG-CD1 3.35Å; M61-L78 HydrophobicContact CG-CG 3.58Å; M61-L78 HydrophobicContact SD-CD1 4.47Å; M61-L78 HydrophobicContact SD-CG 4.39Å; L78-P85 WeakPolarHBondContact O-CD 3.3Å; L78-I107 HydrophobicContact CB-CG2 3.96Å; L78-I107 HydrophobicContact CD1-CG2 4.27Å; L78-I107 HydrophobicContact CD2-CG2 4.01Å; L78-I107 HydrophobicContact CG-CG2 4.29Å; L78-S108 CarbonylContact C-O 3.53Å; L78-S108 WeakPolarHBondContact CA-O 3.5Å
79F94.9Very high93.3Very high4 Ų472.2 Ų72.22%0.01839%0.388CS..EExtended strand (participates in β ladder)trans-134.2129.5177.1-56-90000109.5M1 F77 N83 M84 I107 S108 F115M1-F79 HydrophobicContact CE-CB 3.81Å; M1-F79 HydrophobicContact CE-CG 4.48Å; F77-F79 HydrophobicContact CB-CE2 3.67Å; F77-F79 HydrophobicContact CB-CZ 3.79Å; F79-N83 WeakPolarHBondContact CA-O 3.26Å; F79-M84 HydrophobicContact CD1-CG 3.61Å; F79-M84 HydrophobicContact CE1-CG 3.39Å; F79-M84 HydrophobicContact CE1-SD 3.97Å; F79-M84 HydrophobicContact CZ-CG 4.17Å; F79-M84 HydrophobicContact CZ-SD 4.33Å; F79-I107 CarbonylContact O-C 3.52Å; F79-I107 WeakPolarHBondContact O-CA 3.43Å; F79-S108 PolarHBondContact N-O 3.06Å; F79-S108 PolarHBondContact O-N 3.48Å; F79-F115 HydrophobicContact CB-CZ 3.84Å; F79-F115 HydrophobicContact CD1-CD2 4.37Å; F79-F115 HydrophobicContact CD1-CE1 4.44Å; F79-F115 AromaticContact CD1-CE2 3.3Å; F79-F115 HydrophobicContact CD1-CE2 3.3Å; F79-F115 AromaticContact CD1-CZ 3.34Å; F79-F115 HydrophobicContact CD1-CZ 3.34Å; F79-F115 HydrophobicContact CD2-CZ 4.31Å; F79-F115 HydrophobicContact CE1-CD2 4.25Å; F79-F115 AromaticContact CE1-CE2 3.57Å; F79-F115 HydrophobicContact CE1-CE2 3.57Å; F79-F115 AromaticContact CE1-CZ 3.88Å; F79-F115 HydrophobicContact CE1-CZ 3.88Å; F79-F115 HydrophobicContact CG-CE1 4.45Å; F79-F115 HydrophobicContact CG-CE2 4.04Å; F79-F115 AromaticContact CG-CZ 3.57Å; F79-F115 HydrophobicContact CG-CZ 3.57Å
80V94.9Very high93.4Very high2 Ų266.7 Ų66.71%0.01236%0.359CS..EExtended strand (participates in β ladder)trans-106.9121168.1-176.90000105.8K82 N83 P85 L94 F98 L105 I107V80-K82 PolarHBondContact O-N 3.14Å; V80-N83 PolarHBondContact N-O 3.11Å; V80-N83 PolarHBondContact O-N 2.85Å; V80-P85 HydrophobicContact CG2-CG 4.16Å; V80-L94 HydrophobicContact CG2-CD1 4.08Å; V80-F98 HydrophobicContact CG1-CB 3.35Å; V80-F98 HydrophobicContact CG1-CD1 4.27Å; V80-F98 HydrophobicContact CG1-CD2 4.01Å; V80-F98 HydrophobicContact CG1-CG 3.65Å; V80-L105 HydrophobicContact CG1-CD1 3.89Å; V80-I107 HydrophobicContact CG2-CG1 4.14Å
81E88.4Confident93.7Very high107 Ų10766.2 Ų66.250%0.536%0.357SS..THydrogen-bonded Turntrans56.7-89.5-167.7-54.7-179.615900113.9M1 F98M1-E81 WeakPolarHBondContact CE-O 3.43Å; E81-F98 HydrophobicContact CG-CD1 4.4Å
82K84.8Confident94.1Very high160 Ų16064.8 Ų64.870%0.69635%0.35SS*.THydrogen-bonded Turntrans-136.16.9177.6-64.5-177.8-178.2177.20112.2V80 F115V80-K82 PolarHBondContact O-N 3.14Å; K82-F115 HydrophobicContact CB-CE2 4.45Å; K82-F115 VanDerWaalsContact O-CE2 3.3Å; K82-F115 WeakPolarHBondContact O-CE2 3.46Å
83N88.9Confident94.4Very high92 Ų9264.9 Ų64.949%0.49234%0.339SS..BIsolated β-bridgetrans-112.8141.8-173.8-63.3-61.8000110.6F79 V80 P85F79-N83 WeakPolarHBondContact CA-O 3.26Å; V80-N83 PolarHBondContact N-O 3.11Å; V80-N83 PolarHBondContact O-N 2.85Å; N83-P85 WeakPolarHBondContact O-CD 3.46Å
84M94Very high94.8Very high97 Ų9758.1 Ų58.148%0.47831%0.308SS..  trans-81.6114.5167.1-72.8-174.2-71.400108.6F77 F79 N113F77-M84 HydrophobicContact CB-SD 4.4Å; F77-M84 HydrophobicContact CD1-SD 3.83Å; F77-M84 HydrophobicContact CG-SD 4.41Å; F79-M84 HydrophobicContact CD1-CG 3.61Å; F79-M84 HydrophobicContact CE1-CG 3.39Å; F79-M84 HydrophobicContact CE1-SD 3.97Å; F79-M84 HydrophobicContact CZ-CG 4.17Å; F79-M84 HydrophobicContact CZ-SD 4.33Å; M84-N113 HydrophobicContact SD-CB 4.39Å
85P96Very high95.2Very high24 Ų2454.6 Ų54.616%0.15629%0.291CS..  trans-67.9152.8178.829.7-34.3000111V57 L78 V80 N83 T87 L94V57-P85 HydrophobicContact CG1-CG 3.99Å; V57-P85 HydrophobicContact CG2-CB 4.13Å; V57-P85 HydrophobicContact CG2-CG 4.16Å; L78-P85 WeakPolarHBondContact O-CD 3.3Å; V80-P85 HydrophobicContact CG2-CG 4.16Å; N83-P85 WeakPolarHBondContact O-CD 3.46Å; P85-T87 PolarHBondContact O-N 2.67Å; P85-L94 HydrophobicContact CB-CD1 3.8Å; P85-L94 HydrophobicContact CB-CD2 3.53Å; P85-L94 HydrophobicContact CB-CG 4.28Å; P85-L94 HydrophobicContact CG-CD1 4.04Å
86Q96.6Very high95.4Very high141 Ų14159.2 Ų59.266%0.65931%0.305SS*.  trans-63.4135.1173.7-64.1-65.6-71.400110V57 S88 A89V57-Q86 WeakPolarHBondContact CB-O 3.19Å; Q86-S88 PolarHBondContact O-N 2.87Å; Q86-A89 HydrophobicContact CB-CB 4.32Å; Q86-A89 WeakPolarHBondContact O-CB 3.3Å; Q86-A89 PolarHBondContact O-N 2.99Å
87T96.5Very high95.5Very high83 Ų8363.7 Ų63.751%0.50933%0.329SS..THydrogen-bonded Turntrans-64.7-25.4-176.351.10000113.4A58 M61 P85A58-T87 WeakPolarHBondContact CB-O 3.36Å; A58-T87 PolarHBondContact N-O 2.82Å; M61-T87 HydrophobicContact SD-CG2 4.4Å; P85-T87 PolarHBondContact O-N 2.67Å
88S97.8Very high95.6Very high92 Ų9264 Ų6464%0.64333%0.33SS*.THydrogen-bonded Turntrans-82.1-16.6175.855.40000114.2Q86Q86-S88 PolarHBondContact O-N 2.87Å
89A98.2Very high95.6Very high17 Ų1767.6 Ų67.614%0.1435%0.346CS..SBendtrans-67.3149.9177.900000110.6T56 V57 Q86T56-A89 CarbonylContact C-O 3.55Å; T56-A89 VanDerWaalsContact CA-O 3.3Å; T56-A89 WeakPolarHBondContact CA-O 3.39Å; V57-A89 HydrophobicContact CG2-CB 4.47Å; V57-A89 WeakPolarHBondContact CG2-O 3.24Å; V57-A89 PolarHBondContact N-O 2.82Å; Q86-A89 HydrophobicContact CB-CB 4.32Å; Q86-A89 WeakPolarHBondContact O-CB 3.3Å; Q86-A89 PolarHBondContact O-N 2.99Å
90T98.5Very high95.8Very high33 Ų3369.7 Ų69.720%0.20236%0.358CS..BIsolated β-bridgetrans-87.9156.6175.577.20000112D53 V55 G92 Q93 L94D53-T90 WeakPolarHBondContact O-CB 3.21Å; D53-T90 PolarHBondContact O-OG1 3.26Å; D53-T90 VanDerWaalsContact O-OG1 3.05Å; V55-T90 CarbonylContact O-C 3.55Å; V55-T90 VanDerWaalsContact O-CA 3.26Å; V55-T90 WeakPolarHBondContact O-CA 3.43Å; T90-G92 PolarHBondContact O-N 3.29Å; T90-G92 PolarHBondContact OG1-N 3.03Å; T90-Q93 WeakPolarHBondContact O-CB 3.19Å; T90-Q93 PolarHBondContact O-N 2.94Å; T90-Q93 VanDerWaalsContact O-N 3.14Å; T90-Q93 WeakPolarHBondContact OG1-CG 2.94Å; T90-Q93 PolarHBondContact OG1-N 2.79Å; T90-Q93 VanDerWaalsContact OG1-N 3.11Å; T90-L94 PolarHBondContact O-N 3.23Å
91I98.5Very high95.9Very high0 Ų076.2 Ų76.20%039%0.392CS..Hα-helixtrans-61.4-32.3173.7-62.2-55.1000110.8V29 V31 V51 V55 V57 F60 L94 Y95 L105V29-I91 HydrophobicContact CB-CG2 3.81Å; V29-I91 HydrophobicContact CG1-CG2 3.89Å; V29-I91 HydrophobicContact CG2-CG2 4.09Å; V31-I91 HydrophobicContact CG2-CG2 3.97Å; V51-I91 HydrophobicContact CB-CG2 4.24Å; V51-I91 HydrophobicContact CG1-CB 4.42Å; V51-I91 HydrophobicContact CG1-CG1 4.06Å; V51-I91 HydrophobicContact CG1-CG2 4.4Å; V55-I91 HydrophobicContact CB-CG1 4.38Å; V55-I91 HydrophobicContact CG1-CG1 4.25Å; V55-I91 WeakPolarHBondContact O-CG1 3.34Å; V55-I91 PolarHBondContact O-N 2.96Å; V57-I91 HydrophobicContact CG2-CD1 4.4Å; F60-I91 HydrophobicContact CB-CD1 3.91Å; F60-I91 HydrophobicContact CB-CG1 4.26Å; F60-I91 HydrophobicContact CD1-CD1 4.01Å; F60-I91 HydrophobicContact CG-CD1 3.96Å; F60-I91 HydrophobicContact CG-CG1 4.38Å; I91-L94 HydrophobicContact CD1-CD1 4.24Å; I91-L94 PolarHBondContact O-N 2.93Å; I91-Y95 WeakPolarHBondContact O-CB 3.4Å; I91-Y95 PolarHBondContact O-N 2.86Å; I91-L105 HydrophobicContact CG2-CD2 4.14Å
92G98.3Very high96.4Very high18 Ų1871.1 Ų71.119%0.18637%0.369CS..Hα-helixtrans-62.8-44.7171.600000113.2D53 T90 Y95 H96D53-G92 WeakPolarHBondContact O-CA 3.35Å; D53-G92 PolarHBondContact O-N 3.27Å; T90-G92 PolarHBondContact O-N 3.29Å; T90-G92 PolarHBondContact OG1-N 3.03Å; G92-Y95 PolarHBondContact O-N 2.87Å; G92-H96 PolarHBondContact O-N 3.46Å
93Q97.9Very high97Very high104 Ų10464 Ų6449%0.48634%0.341SS..Hα-helixtrans-62.5-42.6174.6-72.9172.4-27.100111.6T90 H96 N97T90-Q93 WeakPolarHBondContact O-CB 3.19Å; T90-Q93 PolarHBondContact O-N 2.94Å; T90-Q93 VanDerWaalsContact O-N 3.14Å; T90-Q93 WeakPolarHBondContact OG1-CG 2.94Å; T90-Q93 PolarHBondContact OG1-N 2.79Å; T90-Q93 VanDerWaalsContact OG1-N 3.11Å; Q93-H96 PolarHBondContact O-N 2.8Å; Q93-N97 PolarHBondContact O-N 3.3Å; Q93-N97 PolarHBondContact O-ND2 3.34Å
94L97.9Very high97.5Very high8 Ų859.9 Ų59.94%0.04232%0.319CS..Hα-helixtrans-62.9-43.2175-68.5-175.5000112.3V57 V80 P85 T90 I91 N97 F98 L105V57-L94 HydrophobicContact CG2-CD1 3.4Å; V57-L94 VanDerWaalsContact CG2-CD1 3.4Å; V57-L94 HydrophobicContact CG2-CG 4.22Å; V80-L94 HydrophobicContact CG2-CD1 4.08Å; P85-L94 HydrophobicContact CB-CD1 3.8Å; P85-L94 HydrophobicContact CB-CD2 3.53Å; P85-L94 HydrophobicContact CB-CG 4.28Å; P85-L94 HydrophobicContact CG-CD1 4.04Å; T90-L94 PolarHBondContact O-N 3.23Å; I91-L94 HydrophobicContact CD1-CD1 4.24Å; I91-L94 PolarHBondContact O-N 2.93Å; L94-N97 PolarHBondContact O-N 3.35Å; L94-F98 HydrophobicContact CD2-CD2 4.18Å; L94-F98 HydrophobicContact CD2-CE2 4.24Å; L94-F98 WeakPolarHBondContact O-CB 3.38Å; L94-F98 PolarHBondContact O-N 3.44Å; L94-L105 HydrophobicContact CB-CD1 4.46Å; L94-L105 HydrophobicContact CB-CD2 3.89Å
95Y98.2Very high97.7Very high44 Ų4455.2 Ų55.217%0.17330%0.296CS..Hα-helixtrans-60.1-47176.6-178.4-97.3000111.4V29 P30 I91 G92 N97 F98 H99 G103 L105V29-Y95 HydrophobicContact CB-CD2 4.45Å; V29-Y95 HydrophobicContact CG1-CD2 3.36Å; V29-Y95 HydrophobicContact CG1-CE2 4.16Å; V29-Y95 HydrophobicContact CG1-CG 3.73Å; V29-Y95 HydrophobicContact CG2-CD2 4.46Å; V29-Y95 HydrophobicContact CG2-CG 4.04Å; P30-Y95 HydrophobicContact CG-CE2 4.37Å; I91-Y95 WeakPolarHBondContact O-CB 3.4Å; I91-Y95 PolarHBondContact O-N 2.86Å; G92-Y95 PolarHBondContact O-N 2.87Å; Y95-N97 PolarHBondContact O-N 3.06Å; Y95-F98 PolarHBondContact O-N 3.21Å; Y95-H99 HydrophobicContact CD1-CB 4.47Å; Y95-H99 HydrophobicContact CD2-CB 3.59Å; Y95-H99 HydrophobicContact CE1-CB 4.36Å; Y95-H99 HydrophobicContact CE2-CB 3.49Å; Y95-H99 VanDerWaalsContact CE2-CB 3.49Å; Y95-H99 HydrophobicContact CG-CB 4.12Å; Y95-H99 VanDerWaalsContact O-CB 3.23Å; Y95-H99 WeakPolarHBondContact O-CB 3.37Å; Y95-H99 PolarHBondContact O-N 3.1Å; Y95-H99 PolarHBondContact O-ND1 3.47Å; Y95-G103 WeakPolarHBondContact CE2-O 3.39Å; Y95-G103 PolarHBondContact OH-O 3.5Å; Y95-L105 HydrophobicContact CD2-CB 4.01Å
96H97.4Very high97.8Very high144 Ų14454.8 Ų54.867%0.66729%0.291SS*.Hα-helixtrans-55.9-41.8178.2-178.264000112.2G92 Q93G92-H96 PolarHBondContact O-N 3.46Å; Q93-H96 PolarHBondContact O-N 2.8Å
97N96.6Very high97.8Very high104 Ų10448.1 Ų48.156%0.55626%0.26SS*.Hα-helixtrans-85.8-27.4-174.4-64.9-18.5000114.4Q93 L94 Y95Q93-N97 PolarHBondContact O-N 3.3Å; Q93-N97 PolarHBondContact O-ND2 3.34Å; L94-N97 PolarHBondContact O-N 3.35Å; Y95-N97 PolarHBondContact O-N 3.06Å
98F97.2Very high97.7Very high63 Ų6344.3 Ų44.328%0.27624%0.237SC..Hα-helixtrans-141.115-164.7-56.4-76000114.8V80 E81 L94 Y95 L105V80-F98 HydrophobicContact CG1-CB 3.35Å; V80-F98 HydrophobicContact CG1-CD1 4.27Å; V80-F98 HydrophobicContact CG1-CD2 4.01Å; V80-F98 HydrophobicContact CG1-CG 3.65Å; E81-F98 HydrophobicContact CG-CD1 4.4Å; L94-F98 HydrophobicContact CD2-CD2 4.18Å; L94-F98 HydrophobicContact CD2-CE2 4.24Å; L94-F98 WeakPolarHBondContact O-CB 3.38Å; L94-F98 PolarHBondContact O-N 3.44Å; Y95-F98 PolarHBondContact O-N 3.21Å; F98-L105 HydrophobicContact CB-CD1 4.1Å
99H97.1Very high97.7Very high83 Ų8340 Ų4038%0.38421%0.206SC..BIsolated β-bridgetrans-63.4145.3168.970.5-75.3000110.2Y95Y95-H99 HydrophobicContact CD1-CB 4.47Å; Y95-H99 HydrophobicContact CD2-CB 3.59Å; Y95-H99 HydrophobicContact CE1-CB 4.36Å; Y95-H99 HydrophobicContact CE2-CB 3.49Å; Y95-H99 VanDerWaalsContact CE2-CB 3.49Å; Y95-H99 HydrophobicContact CG-CB 4.12Å; Y95-H99 VanDerWaalsContact O-CB 3.23Å; Y95-H99 WeakPolarHBondContact O-CB 3.37Å; Y95-H99 PolarHBondContact O-N 3.1Å; Y95-H99 PolarHBondContact O-ND1 3.47Å
100D97.7Very high97.5Very high48 Ų4839.3 Ų39.326%0.25720%0.201SC..  trans-80161.8174-160.4-116.6000110.1K6 R14 D102 G103 F104 Y106K6-D100 IonicContact NZ-OD1 3.95Å; K6-D100 PolarHBondContact NZ-OD1 3.25Å; K6-D100 IonicContact NZ-OD2 2.82Å; K6-D100 PolarHBondContact NZ-OD2 3.34Å; R14-D100 IonicContact NH1-OD1 3.65Å; D100-D102 WeakPolarHBondContact CB-OD1 3.41Å; D100-D102 PolarHBondContact O-N 3.13Å; D100-G103 PolarHBondContact O-N 3.22Å; D100-F104 PolarHBondContact N-O 2.83Å; D100-Y106 HydrophobicContact CB-CD2 3.68Å; D100-Y106 HydrophobicContact CB-CE2 3.56Å
101D97.6Very high97.3Very high138 Ų13838.7 Ų38.774%0.73820%0.201SC*.THydrogen-bonded Turntrans-60.2-18.2179.3-64.3-30.6000113.6F11 G103F11-D101 HydrophobicContact CE2-CB 4.05Å; F11-D101 HydrophobicContact CZ-CB 4.2Å; D101-G103 PolarHBondContact O-N 3.18Å
102D98.1Very high96.8Very high0 Ų043.6 Ų43.60%022%0.224CC..THydrogen-bonded Turntrans-80.2-0.5173.582.3-15.3000113.5F11 R14 Q15 S18 D100 F104 Y106F11-D102 HydrophobicContact CD2-CB 4.11Å; F11-D102 HydrophobicContact CE2-CB 3.86Å; R14-D102 HydrophobicContact CB-CB 3.9Å; R14-D102 VanDerWaalsContact CB-OD2 3.3Å; R14-D102 WeakPolarHBondContact CB-OD2 3.33Å; R14-D102 VanDerWaalsContact CD-OD2 3.32Å; R14-D102 WeakPolarHBondContact CD-OD2 3.35Å; R14-D102 IonicContact CZ-OD2 2.54Å; R14-D102 IonicContact NE-OD2 3.4Å; R14-D102 IonicContact NH1-OD2 2.72Å; R14-D102 PolarHBondContact NH1-OD2 3Å; Q15-D102 WeakPolarHBondContact CA-O 3.3Å; S18-D102 VanDerWaalsContact CB-O 3.25Å; S18-D102 WeakPolarHBondContact CB-O 3.46Å; S18-D102 PolarHBondContact OG-O 2.92Å; D100-D102 WeakPolarHBondContact CB-OD1 3.41Å; D100-D102 PolarHBondContact O-N 3.13Å; D102-F104 WeakPolarHBondContact OD1-CB 3.36Å; D102-F104 PolarHBondContact OD1-N 2.94Å; D102-Y106 WeakPolarHBondContact OD1-CE2 2.96Å; D102-Y106 PolarHBondContact OD2-OH 2.8Å
103G98.1Very high96Very high12 Ų1246.8 Ų46.812%0.12424%0.237CC..SBendtrans81.49.1179.100000116.4P30 Y95 D100 D101P30-G103 WeakPolarHBondContact CG-O 3.24Å; Y95-G103 WeakPolarHBondContact CE2-O 3.39Å; Y95-G103 PolarHBondContact OH-O 3.5Å; D100-G103 PolarHBondContact O-N 3.22Å; D101-G103 PolarHBondContact O-N 3.18Å
104F98.5Very high94.6Very high4 Ų445 Ų452%0.01824%0.236CC..PPolyproline II helixtrans-101.3147.3171.5-76.5-86.8000112.1F5 R14 P30 V32 D100 D102 Y106F5-F104 HydrophobicContact CE1-CD2 4.13Å; F5-F104 AromaticContact CE1-CE2 3.99Å; F5-F104 HydrophobicContact CE1-CE2 3.99Å; F5-F104 HydrophobicContact CE1-CZ 4.35Å; F5-F104 HydrophobicContact CZ-CE2 4.21Å; F5-F104 HydrophobicContact CZ-CZ 4.27Å; R14-F104 HydrophobicContact CB-CD2 4.42Å; R14-F104 HydrophobicContact CB-CE2 4.3Å; R14-F104 WeakPolarHBondContact O-CE2 3.14Å; P30-F104 HydrophobicContact CB-CD1 3.65Å; P30-F104 HydrophobicContact CB-CE1 3.66Å; P30-F104 HydrophobicContact CG-CD1 4.35Å; V32-F104 HydrophobicContact CG2-CB 4.18Å; V32-F104 HydrophobicContact CG2-CD1 3.65Å; V32-F104 HydrophobicContact CG2-CE1 4.2Å; V32-F104 HydrophobicContact CG2-CG 3.97Å; D100-F104 PolarHBondContact N-O 2.83Å; D102-F104 WeakPolarHBondContact OD1-CB 3.36Å; D102-F104 PolarHBondContact OD1-N 2.94Å; F104-Y106 HydrophobicContact CB-CD2 4.2Å; F104-Y106 HydrophobicContact CB-CE2 3.59Å
105L98.2Very high92.8Very high0 Ų048.5 Ų48.50%025%0.251CS..EExtended strand (participates in β ladder)trans-87.2127.6160.9177.465.1000109.7V29 P30 V31 V32 V80 I91 L94 Y95 F98 I107V29-L105 HydrophobicContact CG1-CB 4.17Å; V29-L105 HydrophobicContact CG1-CD2 4.46Å; P30-L105 PolarHBondContact O-N 2.6Å; V31-L105 CarbonylContact C-O 3.47Å; V31-L105 WeakPolarHBondContact CA-O 3.48Å; V31-L105 HydrophobicContact CG2-CB 4.37Å; V31-L105 HydrophobicContact CG2-CD2 4.33Å; V32-L105 PolarHBondContact N-O 2.81Å; V80-L105 HydrophobicContact CG1-CD1 3.89Å; I91-L105 HydrophobicContact CG2-CD2 4.14Å; L94-L105 HydrophobicContact CB-CD1 4.46Å; L94-L105 HydrophobicContact CB-CD2 3.89Å; Y95-L105 HydrophobicContact CD2-CB 4.01Å; F98-L105 HydrophobicContact CB-CD1 4.1Å; L105-I107 HydrophobicContact CD2-CD1 3.93Å; L105-I107 HydrophobicContact CD2-CG1 4.22Å; L105-I107 HydrophobicContact CG-CD1 4.3Å; L105-I107 HydrophobicContact CG-CG1 4.04Å
106Y98.1Very high90.5Very high14 Ų1449 Ų496%0.05527%0.269CS..EExtended strand (participates in β ladder)trans-103.6117.4-179.3-74.1-89.6000111.2F3 F5 K6 R14 V32 D100 D102 F104F3-Y106 HydrophobicContact CB-CD1 4.04Å; F3-Y106 HydrophobicContact CB-CE1 4.14Å; F3-Y106 AromaticContact CD1-CD1 3.61Å; F3-Y106 HydrophobicContact CD1-CD1 3.61Å; F3-Y106 HydrophobicContact CD1-CE1 4.36Å; F3-Y106 AromaticContact CD2-CD1 3.78Å; F3-Y106 HydrophobicContact CD2-CD1 3.78Å; F3-Y106 HydrophobicContact CD2-CG 4.32Å; F3-Y106 AromaticContact CE1-CD1 3.94Å; F3-Y106 HydrophobicContact CE1-CD1 3.94Å; F3-Y106 HydrophobicContact CE2-CD1 4.1Å; F3-Y106 HydrophobicContact CE2-CG 4.3Å; F3-Y106 AromaticContact CG-CD1 3.53Å; F3-Y106 HydrophobicContact CG-CD1 3.53Å; F3-Y106 HydrophobicContact CG-CE1 4.14Å; F3-Y106 HydrophobicContact CG-CG 4.47Å; F3-Y106 HydrophobicContact CZ-CD1 4.18Å; F3-Y106 HydrophobicContact CZ-CG 4.42Å; F5-Y106 HydrophobicContact CD1-CE1 4.02Å; F5-Y106 WeakPolarHBondContact CD1-OH 3.21Å; K6-Y106 HydrophobicContact CD-CE1 4.32Å; K6-Y106 VanDerWaalsContact CE-CE2 3.45Å; K6-Y106 HydrophobicContact CG-CE1 3.84Å; R14-Y106 WeakPolarHBondContact CD-OH 3.25Å; R14-Y106 PolarHBondContact NH1-OH 3.4Å; R14-Y106 VanDerWaalsContact NH1-OH 3.12Å; V32-Y106 HydrophobicContact CB-CD1 3.81Å; V32-Y106 HydrophobicContact CB-CE1 3.84Å; V32-Y106 HydrophobicContact CG1-CD1 4.01Å; V32-Y106 HydrophobicContact CG1-CE1 3.98Å; V32-Y106 HydrophobicContact CG2-CD1 4.41Å; V32-Y106 HydrophobicContact CG2-CE1 3.98Å; D100-Y106 HydrophobicContact CB-CD2 3.68Å; D100-Y106 HydrophobicContact CB-CE2 3.56Å; D102-Y106 WeakPolarHBondContact OD1-CE2 2.96Å; D102-Y106 PolarHBondContact OD2-OH 2.8Å; F104-Y106 HydrophobicContact CB-CD2 4.2Å; F104-Y106 HydrophobicContact CB-CE2 3.59Å
107I97.2Very high87.6Confident1 Ų148 Ų481%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-120.8125.9179.7-56.3-172.3000108.6F3 V31 V32 V33 E34 F60 L78 F79 V80 L105F3-I107 WeakPolarHBondContact CE1-O 3.45Å; V31-I107 HydrophobicContact CG1-CB 4.4Å; V31-I107 HydrophobicContact CG1-CD1 3.71Å; V31-I107 HydrophobicContact CG1-CG1 3.85Å; V32-I107 PolarHBondContact O-N 3.18Å; V33-I107 VanDerWaalsContact CA-O 3.24Å; V33-I107 WeakPolarHBondContact CA-O 3.45Å; V33-I107 HydrophobicContact CG2-CB 4.46Å; E34-I107 PolarHBondContact N-O 3.2Å; F60-I107 HydrophobicContact CD1-CD1 4.16Å; F60-I107 HydrophobicContact CE1-CD1 3.8Å; L78-I107 HydrophobicContact CB-CG2 3.96Å; L78-I107 HydrophobicContact CD1-CG2 4.27Å; L78-I107 HydrophobicContact CD2-CG2 4.01Å; L78-I107 HydrophobicContact CG-CG2 4.29Å; F79-I107 CarbonylContact O-C 3.52Å; F79-I107 WeakPolarHBondContact O-CA 3.43Å; V80-I107 HydrophobicContact CG2-CG1 4.14Å; L105-I107 HydrophobicContact CD2-CD1 3.93Å; L105-I107 HydrophobicContact CD2-CG1 4.22Å; L105-I107 HydrophobicContact CG-CD1 4.3Å; L105-I107 HydrophobicContact CG-CG1 4.04Å
108S95.8Very high84.8Confident4 Ų446.5 Ų46.53%0.02829%0.287CS..EExtended strand (participates in β ladder)trans-101.1153.6164.676.20000111M1 E34 L78 F79M1-S108 WeakPolarHBondContact CE-OG 3.22Å; M1-S108 PolarHBondContact SD-OG 2.94Å; E34-S108 CarbonylContact O-C 3.52Å; E34-S108 WeakPolarHBondContact O-CA 3.49Å; L78-S108 CarbonylContact C-O 3.53Å; L78-S108 WeakPolarHBondContact CA-O 3.5Å; F79-S108 PolarHBondContact N-O 3.06Å; F79-S108 PolarHBondContact O-N 3.48Å
109Y95.9Very high81.6Confident0 Ų052.7 Ų52.70%034%0.338CS..EExtended strand (participates in β ladder)trans-127.8147.4176.171.9-85.7000112.2V33 E34 R35 H36 I41 P42 D43 I44 I64 I68 L76 F77V33-Y109 HydrophobicContact CG1-CD1 3.59Å; V33-Y109 HydrophobicContact CG1-CE1 4.01Å; E34-Y109 VanDerWaalsContact C-CD1 3.49Å; E34-Y109 VanDerWaalsContact C-CE1 3.43Å; E34-Y109 WeakPolarHBondContact O-CD1 3.39Å; E34-Y109 PolarHBondContact O-N 2.94Å; R35-Y109 VanDerWaalsContact CA-CE1 3.44Å; R35-Y109 HydrophobicContact CB-CE1 3.85Å; R35-Y109 HydrophobicContact CB-CE2 4.16Å; R35-Y109 HydrophobicContact CG-CE2 4.14Å; H36-Y109 WeakPolarHBondContact CB-O 3.36Å; H36-Y109 PolarHBondContact N-O 2.87Å; I41-Y109 HydrophobicContact CD1-CD2 3.27Å; I41-Y109 HydrophobicContact CD1-CE2 3.41Å; I41-Y109 VanDerWaalsContact CD1-CE2 3.41Å; I41-Y109 HydrophobicContact CG1-CD2 4.19Å; I41-Y109 HydrophobicContact CG1-CE2 3.86Å; P42-Y109 PolarHBondContact O-OH 3.2Å; D43-Y109 WeakPolarHBondContact CA-OH 3.21Å; I44-Y109 HydrophobicContact CB-CE1 4.22Å; I44-Y109 HydrophobicContact CG2-CE1 4.09Å; I44-Y109 PolarHBondContact N-OH 2.77Å; I64-Y109 HydrophobicContact CG2-CD2 4.46Å; I64-Y109 HydrophobicContact CG2-CG 4.33Å; I68-Y109 HydrophobicContact CD1-CD2 4.12Å; I68-Y109 HydrophobicContact CD1-CE2 3.75Å; I68-Y109 HydrophobicContact CG2-CE2 4.2Å; L76-Y109 HydrophobicContact CD1-CD2 3.73Å; L76-Y109 HydrophobicContact CD1-CG 4.35Å; F77-Y109 CarbonylContact O-C 3.54Å; F77-Y109 WeakPolarHBondContact O-CA 3.42Å
110S94.8Very high80.8Confident4 Ų451.2 Ų51.23%0.02834%0.336CS..EExtended strand (participates in β ladder)trans-146.1152.7179.8-171.10000111.7S39 F77 E112S39-S110 WeakPolarHBondContact CB-OG 3.44Å; S39-S110 VanDerWaalsContact OG-CA 3.22Å; S39-S110 WeakPolarHBondContact OG-CA 3.43Å; S39-S110 PolarHBondContact OG-OG 3.46Å; F77-S110 PolarHBondContact N-O 2.92Å; F77-S110 PolarHBondContact O-N 2.78Å; S110-E112 WeakPolarHBondContact CB-O 2.97Å; S110-E112 PolarHBondContact O-N 2.98Å; S110-E112 PolarHBondContact OG-N 3.32Å; S110-E112 PolarHBondContact OG-O 2.55Å
111G93.7Very high79.9Confident19 Ų1951.3 Ų51.320%0.19634%0.34CS..SBendtrans-75.1-9167.100000113.8S39 A75S39-G111 PolarHBondContact OG-N 2.6Å; A75-G111 WeakPolarHBondContact O-CA 3.45Å
112E88.4Confident79Confident103 Ų10346.5 Ų46.548%0.48132%0.318SS..SBendtrans-117.8140.8-179-65.4172.8-159.500110.4S110 S114S110-E112 WeakPolarHBondContact CB-O 2.97Å; S110-E112 PolarHBondContact O-N 2.98Å; S110-E112 PolarHBondContact OG-N 3.32Å; S110-E112 PolarHBondContact OG-O 2.55Å; E112-S114 VanDerWaalsContact C-N 3.31Å
113N82.1Confident77.8Confident86 Ų8649.2 Ų49.246%0.4634%0.337SS..SBendtrans-82.2-9.4179.965.7-6.1000113.6F77 M84F77-N113 HydrophobicContact CD1-CB 3.89Å; F77-N113 HydrophobicContact CD2-CB 4Å; F77-N113 HydrophobicContact CE1-CB 3.68Å; F77-N113 HydrophobicContact CE2-CB 3.78Å; F77-N113 HydrophobicContact CG-CB 4.05Å; F77-N113 HydrophobicContact CZ-CB 3.64Å; M84-N113 HydrophobicContact SD-CB 4.39Å
114S67.7Low76.6Confident67 Ų6751.6 Ų51.647%0.46935%0.35SS..SBendtrans-102.5123.8-174.8-51.40000109E112 G116E112-S114 VanDerWaalsContact C-N 3.31Å; S114-G116 PolarHBondContact O-N 3.35Å
115F61.5Low75.1Confident80 Ų8054.7 Ų54.735%0.35137%0.372SS..  trans-64.995.9151.5-69.3-74.4000105.3M1 H36 F79 K82 S117M1-F115 HydrophobicContact CE-CD1 4.48Å; M1-F115 HydrophobicContact CE-CE1 3.18Å; M1-F115 HydrophobicContact CE-CZ 3.26Å; H36-F115 AromaticContact CD2-CE1 3.91Å; H36-F115 AromaticContact NE2-CD1 3.6Å; H36-F115 AromaticContact NE2-CE1 3.55Å; F79-F115 HydrophobicContact CB-CZ 3.84Å; F79-F115 HydrophobicContact CD1-CD2 4.37Å; F79-F115 HydrophobicContact CD1-CE1 4.44Å; F79-F115 AromaticContact CD1-CE2 3.3Å; F79-F115 HydrophobicContact CD1-CE2 3.3Å; F79-F115 AromaticContact CD1-CZ 3.34Å; F79-F115 HydrophobicContact CD1-CZ 3.34Å; F79-F115 HydrophobicContact CD2-CZ 4.31Å; F79-F115 HydrophobicContact CE1-CD2 4.25Å; F79-F115 AromaticContact CE1-CE2 3.57Å; F79-F115 HydrophobicContact CE1-CE2 3.57Å; F79-F115 AromaticContact CE1-CZ 3.88Å; F79-F115 HydrophobicContact CE1-CZ 3.88Å; F79-F115 HydrophobicContact CG-CE1 4.45Å; F79-F115 HydrophobicContact CG-CE2 4.04Å; F79-F115 AromaticContact CG-CZ 3.57Å; F79-F115 HydrophobicContact CG-CZ 3.57Å; K82-F115 HydrophobicContact CB-CE2 4.45Å; K82-F115 VanDerWaalsContact O-CE2 3.3Å; K82-F115 WeakPolarHBondContact O-CE2 3.46Å; F115-S117 PolarHBondContact O-N 3.22Å
116G49.4Very low73.5Confident54 Ų5458.6 Ų58.656%0.55740%0.399SS*.  trans-36.6125.8-169.600000112.9S114 G118S114-G116 PolarHBondContact O-N 3.35Å; G116-G118 PolarHBondContact O-N 2.65Å
117S36.7Very low71.6Confident125 Ų12562.1 Ų62.187%0.87443%0.425SS*.  trans-61.669.1149.850.80000107.7F115F115-S117 PolarHBondContact O-N 3.22Å
118G36.9Very low69.4Low71 Ų7167.2 Ų67.273%0.73246%0.46SS*.  trans-10975.1171.200000106.9G116G116-G118 PolarHBondContact O-N 2.65Å
119S30.2Very low67Low193 Ų19372.9 Ų72.9100%1.3550%0.5SS*.  trans-90.50154-550000107.8

Retrieved 119 of 119 residues in 26.5 ms (Link to these results)

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