A0A3Q0KPQ3_SCHMA Loading...

AKAP7_NLS domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPQ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M63Low74.4Confident138 Ų13878.6 Ų78.668%0.6838%0.375SS*.  0-46.90-68.4-53-78.500112.5A3 L4 R5M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.29Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 VanDerWaalsContact O-N 3.15Å; M1-R5 PolarHBondContact O-N 2.91Å
2E72.8Confident75.2Confident94 Ų9473.3 Ų73.344%0.43935%0.352SS..Hα-helixtrans-57.3-41.7-177.7-17258.2-156.800113.8L4 R5 Q6E2-L4 PolarHBondContact O-N 3.27Å; E2-R5 PolarHBondContact O-N 3.39Å; E2-R5 IonicContact OE1-NE 2.7Å; E2-R5 IonicContact OE1-NH2 3.46Å; E2-R5 PolarHBondContact OE1-NH2 3.11Å; E2-R5 IonicContact OE2-CZ 3.96Å; E2-R5 IonicContact OE2-NE 3.11Å; E2-R5 PolarHBondContact OE2-NE 3.18Å; E2-R5 IonicContact OE2-NH2 3.23Å; E2-R5 PolarHBondContact OE2-NH2 3Å; E2-R5 VanDerWaalsContact OE2-NH2 3.11Å; E2-Q6 HydrophobicContact CG-CG 4.33Å; E2-Q6 WeakPolarHBondContact O-CB 3.5Å; E2-Q6 WeakPolarHBondContact O-CG 3.48Å; E2-Q6 PolarHBondContact O-N 3.28Å; E2-Q6 WeakPolarHBondContact OE1-CG 3.36Å; E2-Q6 PolarHBondContact OE1-NE2 3.05Å
3A73.6Confident76.1Confident16 Ų1683.5 Ų83.513%0.13239%0.385CS..Hα-helixtrans-57.3-44.8176.500000113.2M1 Q6 A7 A57 F59M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.29Å; A3-Q6 PolarHBondContact O-N 3.15Å; A3-A7 WeakPolarHBondContact O-CB 3.43Å; A3-A7 PolarHBondContact O-N 3.41Å; A3-A57 HydrophobicContact CB-CB 3.41Å; A3-A57 VanDerWaalsContact CB-CB 3.41Å; A3-F59 HydrophobicContact CB-CE2 3.98Å
4L71.4Confident77.2Confident24 Ų2481.9 Ų81.913%0.12638%0.376CS..Hα-helixtrans-68.2-38177.7-79.7162.5000111.9M1 E2 A7 E8 I110 L112M1-L4 PolarHBondContact O-N 2.94Å; M1-L4 VanDerWaalsContact O-N 3.15Å; E2-L4 PolarHBondContact O-N 3.27Å; L4-A7 WeakPolarHBondContact O-CA 3.49Å; L4-A7 VanDerWaalsContact O-CB 3.23Å; L4-A7 WeakPolarHBondContact O-CB 3.42Å; L4-A7 PolarHBondContact O-N 3.11Å; L4-A7 VanDerWaalsContact O-N 3.17Å; L4-E8 PolarHBondContact O-N 2.85Å; L4-E8 VanDerWaalsContact O-N 3.07Å; L4-I110 HydrophobicContact CD2-CD1 4.34Å; L4-L112 HydrophobicContact CD1-CB 3.82Å; L4-L112 HydrophobicContact CD1-CD2 3.8Å; L4-L112 HydrophobicContact CD1-CG 4.39Å
5R73.8Confident78.1Confident155 Ų15577.1 Ų77.159%0.58536%0.355SS*.Hα-helixtrans-68-40.9176.8-164.2-176.170.7162.22.6111.9M1 E2 A7 E8M1-R5 PolarHBondContact O-N 2.91Å; E2-R5 PolarHBondContact O-N 3.39Å; E2-R5 IonicContact OE1-NE 2.7Å; E2-R5 IonicContact OE1-NH2 3.46Å; E2-R5 PolarHBondContact OE1-NH2 3.11Å; E2-R5 IonicContact OE2-CZ 3.96Å; E2-R5 IonicContact OE2-NE 3.11Å; E2-R5 PolarHBondContact OE2-NE 3.18Å; E2-R5 IonicContact OE2-NH2 3.23Å; E2-R5 PolarHBondContact OE2-NH2 3Å; E2-R5 VanDerWaalsContact OE2-NH2 3.11Å; R5-A7 PolarHBondContact O-N 3.23Å; R5-E8 VanDerWaalsContact O-CB 3.32Å; R5-E8 WeakPolarHBondContact O-CB 3.37Å; R5-E8 PolarHBondContact O-N 3.2Å
6Q70.7Confident79Confident114 Ų11472.4 Ų72.453%0.53333%0.334SS..Hα-helixtrans-65.5-30171.5-7018010.300111.9E2 A3E2-Q6 HydrophobicContact CG-CG 4.33Å; E2-Q6 WeakPolarHBondContact O-CB 3.5Å; E2-Q6 WeakPolarHBondContact O-CG 3.48Å; E2-Q6 PolarHBondContact O-N 3.28Å; E2-Q6 WeakPolarHBondContact OE1-CG 3.36Å; E2-Q6 PolarHBondContact OE1-NE2 3.05Å; A3-Q6 PolarHBondContact O-N 3.15Å
7A72.9Confident79.5Confident1 Ų173.8 Ų73.81%0.00835%0.349CS..Hα-helixtrans-65.1-39.8175.600000111.4A3 L4 R5 T9 K10 L11 I53A3-A7 WeakPolarHBondContact O-CB 3.43Å; A3-A7 PolarHBondContact O-N 3.41Å; L4-A7 WeakPolarHBondContact O-CA 3.49Å; L4-A7 VanDerWaalsContact O-CB 3.23Å; L4-A7 WeakPolarHBondContact O-CB 3.42Å; L4-A7 PolarHBondContact O-N 3.11Å; L4-A7 VanDerWaalsContact O-N 3.17Å; R5-A7 PolarHBondContact O-N 3.23Å; A7-T9 PolarHBondContact O-N 3.38Å; A7-K10 PolarHBondContact O-N 3.36Å; A7-L11 HydrophobicContact CB-CD1 3.43Å; A7-L11 VanDerWaalsContact CB-CD1 3.43Å; A7-L11 HydrophobicContact CB-CG 3.99Å; A7-L11 WeakPolarHBondContact O-CB 3.48Å; A7-L11 VanDerWaalsContact O-CG 3.29Å; A7-L11 WeakPolarHBondContact O-CG 3.32Å; A7-L11 PolarHBondContact O-N 3.04Å; A7-I53 HydrophobicContact CB-CB 4.45Å; A7-I53 HydrophobicContact CB-CD1 4.03Å; A7-I53 HydrophobicContact CB-CG2 3.63Å
8E73.9Confident80Confident79 Ų7973.4 Ų73.437%0.36935%0.35SS..Hα-helixtrans-44.4-59.5-178.1-178.9170.4-16800113.5L4 R5 K10 L11 C12 L132L4-E8 PolarHBondContact O-N 2.85Å; L4-E8 VanDerWaalsContact O-N 3.07Å; R5-E8 VanDerWaalsContact O-CB 3.32Å; R5-E8 WeakPolarHBondContact O-CB 3.37Å; R5-E8 PolarHBondContact O-N 3.2Å; E8-K10 PolarHBondContact O-N 3.44Å; E8-L11 PolarHBondContact O-N 3.4Å; E8-C12 WeakPolarHBondContact O-CB 3.23Å; E8-C12 PolarHBondContact O-N 2.9Å; E8-C12 PolarHBondContact O-SG 2.99Å; E8-L132 HydrophobicContact CB-CD1 3.65Å; E8-L132 HydrophobicContact CB-CD2 3.94Å; E8-L132 HydrophobicContact CB-CG 4.45Å; E8-L132 HydrophobicContact CG-CD1 3.5Å; E8-L132 HydrophobicContact CG-CD2 4.33Å; E8-L132 HydrophobicContact CG-CG 4.48Å
9T76.6Confident80.8Confident108 Ų10875.8 Ų75.866%0.66336%0.361SS*.Hα-helixtrans-61.6-33.1-175.7-49.20000112.9A7A7-T9 PolarHBondContact O-N 3.38Å
10K82.2Confident81.5Confident136 Ų13672.2 Ų72.259%0.59134%0.343SS*.Hα-helixtrans-81.7-43.1179.1-67.4-178.4179.6178.20111.5A7 E8 F14 I53A7-K10 PolarHBondContact O-N 3.36Å; E8-K10 PolarHBondContact O-N 3.44Å; K10-F14 WeakPolarHBondContact O-CD2 3.32Å; K10-F14 WeakPolarHBondContact O-CE2 3.4Å; K10-I53 HydrophobicContact CB-CD1 4.09Å
11L86.9Confident82.3Confident0 Ų070.3 Ų70.30%034%0.336CS..Hα-helixtrans-70.9-35.9-174.7-76.9177.4000113A7 E8 R13 F14 V15 F46 Q49 L50 I53 I110A7-L11 HydrophobicContact CB-CD1 3.43Å; A7-L11 VanDerWaalsContact CB-CD1 3.43Å; A7-L11 HydrophobicContact CB-CG 3.99Å; A7-L11 WeakPolarHBondContact O-CB 3.48Å; A7-L11 VanDerWaalsContact O-CG 3.29Å; A7-L11 WeakPolarHBondContact O-CG 3.32Å; A7-L11 PolarHBondContact O-N 3.04Å; E8-L11 PolarHBondContact O-N 3.4Å; L11-R13 PolarHBondContact O-N 3.3Å; L11-F14 PolarHBondContact O-N 3.07Å; L11-V15 PolarHBondContact O-N 3.41Å; L11-F46 HydrophobicContact CB-CE2 4.12Å; L11-F46 HydrophobicContact CD2-CD2 4.38Å; L11-F46 HydrophobicContact CD2-CE2 4.09Å; L11-F46 HydrophobicContact CD2-CZ 4.48Å; L11-Q49 HydrophobicContact CD2-CB 4.17Å; L11-L50 HydrophobicContact CD1-CD1 3.77Å; L11-L50 HydrophobicContact CD2-CB 3.97Å; L11-I53 HydrophobicContact CD1-CD1 4.43Å; L11-I53 HydrophobicContact CD2-CD1 3.84Å; L11-I53 HydrophobicContact CG-CD1 3.73Å; L11-I110 HydrophobicContact CD1-CD1 4.3Å
12C84.6Confident84Confident15 Ų1564.3 Ų64.310%0.10131%0.307CS..THydrogen-bonded Turntrans-56.1-24.7-177.8-72.70000113.3E8 F14 P137E8-C12 WeakPolarHBondContact O-CB 3.23Å; E8-C12 PolarHBondContact O-N 2.9Å; E8-C12 PolarHBondContact O-SG 2.99Å; C12-F14 VanDerWaalsContact C-N 3.33Å; C12-P137 HydrophobicContact CB-CG 4.49Å
13R86.6Confident85.2Confident205 Ų20563.7 Ų63.777%0.77430%0.303SS*.THydrogen-bonded Turntrans-76.7-17.6176.9-62-178.3-178.9179.4-1114.2L11L11-R13 PolarHBondContact O-N 3.3Å
14F91.1Very high86.3Confident61 Ų6163.2 Ų63.227%0.26830%0.3SS..THydrogen-bonded Turntrans-106.6-1-177.5-60-78.8000112.6K10 L11 C12 P16 L45 F46 Q49K10-F14 WeakPolarHBondContact O-CD2 3.32Å; K10-F14 WeakPolarHBondContact O-CE2 3.4Å; L11-F14 PolarHBondContact O-N 3.07Å; C12-F14 VanDerWaalsContact C-N 3.33Å; F14-P16 WeakPolarHBondContact O-CD 3.32Å; F14-L45 HydrophobicContact CD1-CD1 4.45Å; F14-L45 HydrophobicContact CD1-CD2 3.68Å; F14-L45 HydrophobicContact CD1-CG 3.73Å; F14-L45 HydrophobicContact CE1-CD1 4.49Å; F14-L45 HydrophobicContact CE1-CD2 4.06Å; F14-L45 HydrophobicContact CE1-CG 4.21Å; F14-F46 HydrophobicContact CB-CB 4.41Å; F14-F46 HydrophobicContact CB-CD2 4.23Å; F14-F46 WeakPolarHBondContact O-CB 3.29Å; F14-Q49 HydrophobicContact CD1-CG 3.94Å; F14-Q49 HydrophobicContact CD2-CB 4.13Å; F14-Q49 HydrophobicContact CD2-CG 3.79Å; F14-Q49 HydrophobicContact CE1-CG 3.9Å; F14-Q49 HydrophobicContact CE2-CB 4.39Å; F14-Q49 HydrophobicContact CE2-CG 3.76Å; F14-Q49 HydrophobicContact CG-CB 4.39Å; F14-Q49 HydrophobicContact CG-CG 3.87Å; F14-Q49 HydrophobicContact CZ-CG 3.81Å
15V91.5Very high87.5Confident10 Ų1063.1 Ų63.16%0.06130%0.301CS..SBendtrans-61.5126.4178.8-179.60000108.9L11 T17 F46 L107 L134L11-V15 PolarHBondContact O-N 3.41Å; V15-T17 PolarHBondContact O-N 3.17Å; V15-F46 HydrophobicContact CG2-CD2 4.26Å; V15-F46 HydrophobicContact CG2-CE2 3.95Å; V15-L107 WeakPolarHBondContact CG1-O 3.45Å; V15-L134 HydrophobicContact CG1-CB 4.35Å; V15-L134 HydrophobicContact CG2-CB 3.91Å; V15-L134 HydrophobicContact CG2-CD1 4.18Å; V15-L134 HydrophobicContact CG2-CD2 4.06Å; V15-L134 HydrophobicContact CG2-CG 4.27Å
16P92.1Very high88.5Confident2 Ų256.5 Ų56.51%0.01328%0.281CS..  trans-54.5124.3175.2-25.735.2000110.8F14 L20 N42 L43 L107F14-P16 WeakPolarHBondContact O-CD 3.32Å; P16-L20 HydrophobicContact CB-CD2 4.46Å; P16-N42 HydrophobicContact CB-CB 4.07Å; P16-N42 HydrophobicContact CG-CB 4.12Å; P16-L43 HydrophobicContact CG-CB 4.03Å; P16-L43 HydrophobicContact CG-CD1 4.31Å; P16-L107 HydrophobicContact CG-CD2 4.5Å
17T87.6Confident89.7Confident96 Ų9655.5 Ų55.559%0.58928%0.279SS*.  trans-81.4-27.4177.855.80000111.8V15 N136V15-T17 PolarHBondContact O-N 3.17Å; T17-N136 WeakPolarHBondContact CG2-ND2 3.4Å
18N89.2Confident90.7Very high68 Ų6858.2 Ų58.236%0.36429%0.291SS..SBendtrans-86.9152.517865.6-58.5000111.5N40 N42N18-N40 PolarHBondContact ND2-ND2 3.39Å; N18-N40 PolarHBondContact OD1-ND2 2.87Å; N18-N42 PolarHBondContact OD1-ND2 3.19Å
19Q93.8Very high91.7Very high119 Ų11962 Ų6256%0.55631%0.308SS*.PPolyproline II helixtrans-62144.9171-68.8-179.8-19.200110.6V104Q19-V104 HydrophobicContact CB-CB 4.2Å
20L96.4Very high92.5Very high2 Ų257.3 Ų57.31%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-100.5125.8176.9-62.8170.4000108.5P16 V37 N40 L43 V104 F105 L107P16-L20 HydrophobicContact CB-CD2 4.46Å; L20-V37 HydrophobicContact CB-CG1 4.38Å; L20-N40 HydrophobicContact CD2-CB 3.66Å; L20-N40 VanDerWaalsContact CD2-CG 3.48Å; L20-N40 VanDerWaalsContact CD2-ND2 3.31Å; L20-N40 WeakPolarHBondContact CD2-ND2 3.2Å; L20-L43 HydrophobicContact CD1-CD1 4.24Å; L20-L43 HydrophobicContact CD1-CD2 4.07Å; L20-L43 HydrophobicContact CD2-CB 4.19Å; L20-L43 HydrophobicContact CD2-CD2 4.19Å; L20-V104 CarbonylContact O-C 3.52Å; L20-V104 VanDerWaalsContact O-CA 3.26Å; L20-V104 WeakPolarHBondContact O-CA 3.47Å; L20-F105 HydrophobicContact CB-CD1 3.87Å; L20-F105 HydrophobicContact CB-CD2 4.3Å; L20-F105 HydrophobicContact CB-CE1 3.46Å; L20-F105 VanDerWaalsContact CB-CE1 3.46Å; L20-F105 HydrophobicContact CB-CE2 3.94Å; L20-F105 HydrophobicContact CB-CG 4.28Å; L20-F105 HydrophobicContact CB-CZ 3.5Å; L20-F105 HydrophobicContact CD1-CD2 4.15Å; L20-F105 HydrophobicContact CD1-CE1 4.34Å; L20-F105 HydrophobicContact CD1-CE2 3.37Å; L20-F105 HydrophobicContact CD1-CZ 3.48Å; L20-F105 VanDerWaalsContact CD1-CZ 3.48Å; L20-F105 HydrophobicContact CG-CE2 4.26Å; L20-F105 HydrophobicContact CG-CZ 4.13Å; L20-F105 PolarHBondContact N-O 2.91Å; L20-F105 VanDerWaalsContact O-CD1 3.26Å; L20-F105 WeakPolarHBondContact O-CD1 3.4Å; L20-F105 PolarHBondContact O-N 2.89Å; L20-L107 HydrophobicContact CD1-CB 4.39Å
21T97.8Very high93.1Very high33 Ų3357.8 Ų57.820%0.20228%0.279CS..EExtended strand (participates in β ladder)trans-89.3134-178.6-480000111K23 V37 E38 E101 V104T21-K23 HydrophobicContact CG2-CB 4.21Å; T21-V37 WeakPolarHBondContact O-CA 3.49Å; T21-E38 VanDerWaalsContact CB-OE2 3.28Å; T21-E38 WeakPolarHBondContact CB-OE2 3.42Å; T21-E38 HydrophobicContact CG2-CG 4.31Å; T21-E38 PolarHBondContact O-N 2.98Å; T21-E38 PolarHBondContact OG1-OE2 3.5Å; T21-E101 HydrophobicContact CG2-CG 4.41Å; T21-V104 HydrophobicContact CG2-CG1 4.43Å
22V98.4Very high93.5Very high12 Ų1259.1 Ų59.17%0.07329%0.288CS..EExtended strand (participates in β ladder)trans-102.7112.5168.6-172.50000107.9A35 A36 V37 I71 F102 G103 F105V22-A35 HydrophobicContact CG1-CB 3.64Å; V22-A36 CarbonylContact C-O 3.48Å; V22-A36 WeakPolarHBondContact CA-O 3.24Å; V22-A36 WeakPolarHBondContact CG1-O 3.2Å; V22-V37 HydrophobicContact CG2-CG2 4.48Å; V22-I71 HydrophobicContact CG1-CD1 4.09Å; V22-I71 HydrophobicContact CG2-CD1 3.83Å; V22-F102 HydrophobicContact CB-CB 4.13Å; V22-F102 HydrophobicContact CG1-CB 3.89Å; V22-F102 HydrophobicContact CG1-CD2 4.11Å; V22-F102 HydrophobicContact CG1-CG 4.35Å; V22-F102 PolarHBondContact O-N 2.84Å; V22-G103 PolarHBondContact N-O 3.3Å; V22-G103 PolarHBondContact O-N 2.92Å; V22-F105 HydrophobicContact CG2-CD1 3.71Å; V22-F105 HydrophobicContact CG2-CE1 3.68Å
23K97.8Very high94.1Very high81 Ų8159.3 Ų59.335%0.35229%0.287SS..EExtended strand (participates in β ladder)trans-145.3134.4-175.9-175.6175.3-179172.90111.5T21 A36 E38 D99 T100T21-K23 HydrophobicContact CG2-CB 4.21Å; K23-A36 PolarHBondContact N-O 3.34Å; K23-A36 WeakPolarHBondContact O-CB 3.22Å; K23-E38 HydrophobicContact CB-CG 4.23Å; K23-E38 WeakPolarHBondContact CD-OE1 3.29Å; K23-D99 WeakPolarHBondContact CE-O 3.45Å; K23-T100 CarbonylContact C-O 3.58Å; K23-T100 WeakPolarHBondContact CA-O 3.09Å
24G97.3Very high94.6Very high6 Ų649.9 Ų49.96%0.06225%0.252CS..EExtended strand (participates in β ladder)trans71.5170.9177.900000113.4A35 A36 F97 L98 T100 F102G24-A35 WeakPolarHBondContact O-CA 3.49Å; G24-A36 PolarHBondContact O-N 3.28Å; G24-F97 WeakPolarHBondContact CA-O 3.38Å; G24-L98 WeakPolarHBondContact CA-O 3.49Å; G24-T100 PolarHBondContact N-O 2.81Å; G24-F102 WeakPolarHBondContact O-CE2 3.29Å
25V96.9Very high94.9Very high23 Ų2347.2 Ų47.214%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-116150.5176.8-63.60000110.9L33 Y34 L73 C94 F97 L98 F102V25-L33 HydrophobicContact CB-CD1 4.23Å; V25-Y34 CarbonylContact C-O 3.57Å; V25-Y34 VanDerWaalsContact CA-O 3.3Å; V25-Y34 WeakPolarHBondContact CA-O 3.2Å; V25-L73 HydrophobicContact CG1-CD1 4.49Å; V25-C94 HydrophobicContact CG2-CB 3.92Å; V25-F97 HydrophobicContact CG1-CB 3.82Å; V25-F97 HydrophobicContact CG2-CB 4.26Å; V25-F97 PolarHBondContact N-O 2.89Å; V25-L98 HydrophobicContact CG2-CD2 4.04Å; V25-F102 HydrophobicContact CG1-CE2 4.02Å; V25-F102 HydrophobicContact CG1-CZ 3.82Å
26G94.6Very high95.2Very high16 Ų1648 Ų4817%0.16525%0.249CC..EExtended strand (participates in β ladder)trans-139.8175.1172.200000111.4Y34G26-Y34 PolarHBondContact N-O 3.4Å; G26-Y34 PolarHBondContact O-N 3.1Å
27N95.2Very high95.4Very high93 Ų9348.7 Ų48.750%0.49725%0.253SS..EExtended strand (participates in β ladder)trans-138153175.674.385.9000113.2G30 V32N27-G30 WeakPolarHBondContact OD1-CA 3.4Å; N27-G30 PolarHBondContact OD1-N 3.25Å; N27-V32 CarbonylContact C-O 3.48Å; N27-V32 WeakPolarHBondContact CA-O 3.43Å; N27-V32 VanDerWaalsContact CB-O 3.28Å; N27-V32 WeakPolarHBondContact CB-O 3.47Å
28F94.8Very high95.8Very high58 Ų5848.4 Ų48.425%0.25425%0.245SC..EExtended strand (participates in β ladder)trans-102.4103.6167-63-61.2000109.7G30 R31 V32 Y34 K68 H70F28-G30 PolarHBondContact O-N 2.7Å; F28-G30 VanDerWaalsContact O-N 3.12Å; F28-R31 PolarHBondContact O-N 3.27Å; F28-V32 HydrophobicContact CB-CB 4.19Å; F28-V32 HydrophobicContact CD2-CB 4.02Å; F28-V32 HydrophobicContact CD2-CG1 4.13Å; F28-V32 PolarHBondContact N-O 3.42Å; F28-V32 PolarHBondContact O-N 2.78Å; F28-Y34 HydrophobicContact CD1-CE1 4.05Å; F28-Y34 AromaticContact CD2-CD1 3.65Å; F28-Y34 HydrophobicContact CD2-CD1 3.65Å; F28-Y34 AromaticContact CD2-CE1 3.65Å; F28-Y34 HydrophobicContact CD2-CE1 3.65Å; F28-Y34 AromaticContact CE1-CE1 3.9Å; F28-Y34 HydrophobicContact CE1-CE1 3.9Å; F28-Y34 AromaticContact CE2-CD1 3.47Å; F28-Y34 HydrophobicContact CE2-CD1 3.47Å; F28-Y34 VanDerWaalsContact CE2-CD1 3.47Å; F28-Y34 AromaticContact CE2-CE1 3.46Å; F28-Y34 HydrophobicContact CE2-CE1 3.46Å; F28-Y34 VanDerWaalsContact CE2-CE1 3.46Å; F28-Y34 HydrophobicContact CE2-CG 4.45Å; F28-Y34 HydrophobicContact CG-CD1 4.34Å; F28-Y34 AromaticContact CG-CE1 3.94Å; F28-Y34 HydrophobicContact CG-CE1 3.94Å; F28-Y34 HydrophobicContact CZ-CD1 4.06Å; F28-Y34 AromaticContact CZ-CE1 3.6Å; F28-Y34 HydrophobicContact CZ-CE1 3.6Å; F28-K68 HydrophobicContact CE1-CD 3.62Å; F28-K68 HydrophobicContact CZ-CB 4.42Å; F28-K68 HydrophobicContact CZ-CD 3.85Å; F28-K68 HydrophobicContact CZ-CG 4.45Å; F28-H70 AromaticContact CE2-CD2 3.79Å; F28-H70 AromaticContact CE2-CE1 3.73Å; F28-H70 AromaticContact CE2-CG 3.87Å; F28-H70 AromaticContact CE2-ND1 3.82Å; F28-H70 AromaticContact CE2-NE2 3.7Å; F28-H70 AromaticContact CZ-ND1 3.9Å
29H93.6Very high96Very high157 Ų15750.5 Ų50.573%0.72727%0.265SS*.THydrogen-bonded Turntrans55.328.7176.6-49.693.2000113.9R31H29-R31 PolarHBondContact O-N 3.15Å
30G93.6Very high96.1Very high11 Ų1145.6 Ų45.611%0.11324%0.242CC..THydrogen-bonded Turntrans67.45.1-173.300000115.1N27 F28 K88 V89N27-G30 WeakPolarHBondContact OD1-CA 3.4Å; N27-G30 PolarHBondContact OD1-N 3.25Å; F28-G30 PolarHBondContact O-N 2.7Å; F28-G30 VanDerWaalsContact O-N 3.12Å; G30-K88 CarbonylContact O-C 3.5Å; G30-K88 VanDerWaalsContact O-CA 3.25Å; G30-K88 WeakPolarHBondContact O-CA 3.29Å; G30-V89 PolarHBondContact O-N 3.46Å
31R95.2Very high95.9Very high145 Ų14553.4 Ų53.455%0.54728%0.279SS..THydrogen-bonded Turntrans-101.7-22.3-175.3-68.2-163.2-74.3176.4-5.9114.3F28 H29 M76F28-R31 PolarHBondContact O-N 3.27Å; H29-R31 PolarHBondContact O-N 3.15Å; R31-M76 HydrophobicContact CB-CB 4.41Å; R31-M76 WeakPolarHBondContact O-CB 3.5Å; R31-M76 PolarHBondContact O-N 3.24Å
32V95.6Very high95.7Very high29 Ų2955.3 Ų55.318%0.17629%0.288CS..EExtended strand (participates in β ladder)trans-128.4125.3175.1179.70000106.8N27 F28 M74 K75N27-V32 CarbonylContact C-O 3.48Å; N27-V32 WeakPolarHBondContact CA-O 3.43Å; N27-V32 VanDerWaalsContact CB-O 3.28Å; N27-V32 WeakPolarHBondContact CB-O 3.47Å; F28-V32 HydrophobicContact CB-CB 4.19Å; F28-V32 HydrophobicContact CD2-CB 4.02Å; F28-V32 HydrophobicContact CD2-CG1 4.13Å; F28-V32 PolarHBondContact N-O 3.42Å; F28-V32 PolarHBondContact O-N 2.78Å; V32-M74 CarbonylContact C-O 3.52Å; V32-M74 WeakPolarHBondContact CA-O 3.48Å; V32-K75 HydrophobicContact CG1-CG 4.07Å; V32-K75 HydrophobicContact CG2-CG 4.1Å
33L96.2Very high95.6Very high18 Ų1855.4 Ų55.49%0.09429%0.288CS..EExtended strand (participates in β ladder)trans-96.9135.8167.7176.473.7000107.9V25 L73 M74 C94V25-L33 HydrophobicContact CB-CD1 4.23Å; L33-L73 HydrophobicContact CD2-CB 4.33Å; L33-L73 HydrophobicContact CD2-CD1 4.39Å; L33-L73 HydrophobicContact CG-CB 4.45Å; L33-L73 HydrophobicContact CG-CD1 4.42Å; L33-L73 PolarHBondContact O-N 3.1Å; L33-M74 HydrophobicContact CB-CB 4.19Å; L33-M74 HydrophobicContact CD2-CB 4.49Å; L33-M74 PolarHBondContact N-O 3.3Å; L33-M74 PolarHBondContact O-N 3.21Å; L33-C94 HydrophobicContact CD1-CB 4.16Å; L33-C94 WeakPolarHBondContact CD2-SG 3.45Å
34Y97.3Very high95.4Very high8 Ų853.6 Ų53.63%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-142.6152.8179.362.5-104.1000111.6V25 G26 F28 A36 K68 H70 I71V25-Y34 CarbonylContact C-O 3.57Å; V25-Y34 VanDerWaalsContact CA-O 3.3Å; V25-Y34 WeakPolarHBondContact CA-O 3.2Å; G26-Y34 PolarHBondContact N-O 3.4Å; G26-Y34 PolarHBondContact O-N 3.1Å; F28-Y34 HydrophobicContact CD1-CE1 4.05Å; F28-Y34 AromaticContact CD2-CD1 3.65Å; F28-Y34 HydrophobicContact CD2-CD1 3.65Å; F28-Y34 AromaticContact CD2-CE1 3.65Å; F28-Y34 HydrophobicContact CD2-CE1 3.65Å; F28-Y34 AromaticContact CE1-CE1 3.9Å; F28-Y34 HydrophobicContact CE1-CE1 3.9Å; F28-Y34 AromaticContact CE2-CD1 3.47Å; F28-Y34 HydrophobicContact CE2-CD1 3.47Å; F28-Y34 VanDerWaalsContact CE2-CD1 3.47Å; F28-Y34 AromaticContact CE2-CE1 3.46Å; F28-Y34 HydrophobicContact CE2-CE1 3.46Å; F28-Y34 VanDerWaalsContact CE2-CE1 3.46Å; F28-Y34 HydrophobicContact CE2-CG 4.45Å; F28-Y34 HydrophobicContact CG-CD1 4.34Å; F28-Y34 AromaticContact CG-CE1 3.94Å; F28-Y34 HydrophobicContact CG-CE1 3.94Å; F28-Y34 HydrophobicContact CZ-CD1 4.06Å; F28-Y34 AromaticContact CZ-CE1 3.6Å; F28-Y34 HydrophobicContact CZ-CE1 3.6Å; Y34-A36 HydrophobicContact CD2-CB 4.42Å; Y34-A36 HydrophobicContact CE2-CB 4.03Å; Y34-K68 WeakPolarHBondContact OH-CE 3.12Å; Y34-K68 PolarHBondContact OH-NZ 2.77Å; Y34-H70 HydrophobicContact CD1-CB 4.29Å; Y34-H70 HydrophobicContact CD2-CB 3.53Å; Y34-H70 HydrophobicContact CE2-CB 4.14Å; Y34-H70 HydrophobicContact CG-CB 3.65Å; Y34-I71 CarbonylContact C-O 3.54Å; Y34-I71 WeakPolarHBondContact CA-O 3.29Å; Y34-I71 VanDerWaalsContact CB-O 3.26Å; Y34-I71 WeakPolarHBondContact CB-O 3.19Å
35A97.7Very high95.3Very high4 Ų456.8 Ų56.83%0.03330%0.297CS..EExtended strand (participates in β ladder)trans-79.4131.2161.900000108.7V22 G24 I71 L73 F102V22-A35 HydrophobicContact CG1-CB 3.64Å; G24-A35 WeakPolarHBondContact O-CA 3.49Å; A35-I71 HydrophobicContact CB-CB 4.35Å; A35-I71 PolarHBondContact N-O 3.02Å; A35-I71 PolarHBondContact O-N 3.02Å; A35-L73 HydrophobicContact CB-CD1 4.32Å; A35-F102 HydrophobicContact CB-CD2 4.11Å; A35-F102 HydrophobicContact CB-CE2 4.17Å
36A97.6Very high95.1Very high27 Ų2756 Ų5622%0.22329%0.292CS..EExtended strand (participates in β ladder)trans-82.4140.7-176.400000110.5V22 K23 G24 Y34V22-A36 CarbonylContact C-O 3.48Å; V22-A36 WeakPolarHBondContact CA-O 3.24Å; V22-A36 WeakPolarHBondContact CG1-O 3.2Å; K23-A36 PolarHBondContact N-O 3.34Å; K23-A36 WeakPolarHBondContact O-CB 3.22Å; G24-A36 PolarHBondContact O-N 3.28Å; Y34-A36 HydrophobicContact CD2-CB 4.42Å; Y34-A36 HydrophobicContact CE2-CB 4.03Å
37V97.6Very high95.1Very high16 Ų1656.1 Ų56.110%0.09729%0.29CS..EExtended strand (participates in β ladder)trans-94.3129.7165.7-177.40000106.8L20 T21 V22 L43 P69 F105L20-V37 HydrophobicContact CB-CG1 4.38Å; T21-V37 WeakPolarHBondContact O-CA 3.49Å; V22-V37 HydrophobicContact CG2-CG2 4.48Å; V37-L43 HydrophobicContact CG1-CD2 4.42Å; V37-P69 HydrophobicContact CB-CB 3.83Å; V37-P69 HydrophobicContact CB-CG 3.97Å; V37-P69 HydrophobicContact CG1-CB 4.27Å; V37-P69 HydrophobicContact CG1-CG 4.32Å; V37-P69 HydrophobicContact CG2-CB 4.15Å; V37-P69 PolarHBondContact N-O 3.19Å; V37-F105 HydrophobicContact CG1-CE1 4.11Å; V37-F105 HydrophobicContact CG1-CZ 4.19Å; V37-F105 HydrophobicContact CG2-CE1 4.21Å; V37-F105 HydrophobicContact CG2-CZ 4.37Å
38E95.8Very high95Very high90 Ų9056 Ų5642%0.42129%0.289SS..PPolyproline II helixtrans-59.1150.9178.2-68.8-170.7151.200111.1T21 K23 N40T21-E38 VanDerWaalsContact CB-OE2 3.28Å; T21-E38 WeakPolarHBondContact CB-OE2 3.42Å; T21-E38 HydrophobicContact CG2-CG 4.31Å; T21-E38 PolarHBondContact O-N 2.98Å; T21-E38 PolarHBondContact OG1-OE2 3.5Å; K23-E38 HydrophobicContact CB-CG 4.23Å; K23-E38 WeakPolarHBondContact CD-OE1 3.29Å; E38-N40 PolarHBondContact O-N 3.45Å
39S93.2Very high94.9Very high112 Ų11255.4 Ų55.478%0.78329%0.287SS*.PPolyproline II helixtrans-62.6126.1-178.1-174.80000110.5
40N94.7Very high94.9Very high17 Ų1749.4 Ų49.49%0.09126%0.26CS..  trans-135.2119.5178.8-178.9-62.1000109.6N18 L20 E38 N42 L43 N44N18-N40 PolarHBondContact ND2-ND2 3.39Å; N18-N40 PolarHBondContact OD1-ND2 2.87Å; L20-N40 HydrophobicContact CD2-CB 3.66Å; L20-N40 VanDerWaalsContact CD2-CG 3.48Å; L20-N40 VanDerWaalsContact CD2-ND2 3.31Å; L20-N40 WeakPolarHBondContact CD2-ND2 3.2Å; E38-N40 PolarHBondContact O-N 3.45Å; N40-N42 PolarHBondContact O-N 3.23Å; N40-N42 WeakPolarHBondContact OD1-CA 3.34Å; N40-N42 WeakPolarHBondContact OD1-CB 3.37Å; N40-N42 PolarHBondContact OD1-N 2.73Å; N40-L43 HydrophobicContact CB-CB 3.99Å; N40-L43 PolarHBondContact O-N 3.06Å; N40-L43 PolarHBondContact OD1-N 3.16Å; N40-N44 PolarHBondContact O-N 2.86Å; N40-N44 VanDerWaalsContact O-N 3.11Å; N40-N44 PolarHBondContact O-ND2 3.18Å
41E94.1Very high94.8Very high165 Ų16550.2 Ų50.277%0.77126%0.262SS*.Hα-helixtrans-64.4-39.6-176.9-65.8-178.2172.900112.4L43 N44 L45E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 2.94Å; E41-N44 PolarHBondContact O-N 3.28Å; E41-L45 WeakPolarHBondContact O-CB 3.24Å; E41-L45 PolarHBondContact O-N 2.86Å
42N93.6Very high94.6Very high73 Ų7348.6 Ų48.639%0.3926%0.261SS..Hα-helixtrans-63.9-38.5177.5-63.1-36.2000111.5P16 N18 N40 L45 F46P16-N42 HydrophobicContact CB-CB 4.07Å; P16-N42 HydrophobicContact CG-CB 4.12Å; N18-N42 PolarHBondContact OD1-ND2 3.19Å; N40-N42 PolarHBondContact O-N 3.23Å; N40-N42 WeakPolarHBondContact OD1-CA 3.34Å; N40-N42 WeakPolarHBondContact OD1-CB 3.37Å; N40-N42 PolarHBondContact OD1-N 2.73Å; N42-L45 PolarHBondContact O-N 3.41Å; N42-F46 WeakPolarHBondContact O-CB 3.4Å; N42-F46 PolarHBondContact O-N 2.8Å
43L95.1Very high94.4Very high14 Ų1448.2 Ų48.27%0.07326%0.257CS..Hα-helixtrans-67.3-41.5176.6-179.463000111.4P16 L20 V37 N40 E41 F46 V47 F67 P69 L107P16-L43 HydrophobicContact CG-CB 4.03Å; P16-L43 HydrophobicContact CG-CD1 4.31Å; L20-L43 HydrophobicContact CD1-CD1 4.24Å; L20-L43 HydrophobicContact CD1-CD2 4.07Å; L20-L43 HydrophobicContact CD2-CB 4.19Å; L20-L43 HydrophobicContact CD2-CD2 4.19Å; V37-L43 HydrophobicContact CG1-CD2 4.42Å; N40-L43 HydrophobicContact CB-CB 3.99Å; N40-L43 PolarHBondContact O-N 3.06Å; N40-L43 PolarHBondContact OD1-N 3.16Å; E41-L43 VanDerWaalsContact C-N 3.32Å; E41-L43 PolarHBondContact O-N 2.94Å; L43-F46 WeakPolarHBondContact O-CB 3.4Å; L43-F46 PolarHBondContact O-N 2.99Å; L43-V47 WeakPolarHBondContact O-CG2 3.32Å; L43-V47 PolarHBondContact O-N 3.29Å; L43-F67 HydrophobicContact CD2-CE1 4.28Å; L43-F67 HydrophobicContact CG-CE1 4.16Å; L43-P69 HydrophobicContact CD2-CB 3.91Å; L43-P69 HydrophobicContact CD2-CG 4.08Å; L43-L107 HydrophobicContact CD1-CD2 4.28Å
44N94.6Very high94.1Very high43 Ų4349.2 Ų49.223%0.2326%0.262CS..Hα-helixtrans-61.2-47.1174.5-69.6-49.6000110.7N40 E41 F46 V47 D48N40-N44 PolarHBondContact O-N 2.86Å; N40-N44 VanDerWaalsContact O-N 3.11Å; N40-N44 PolarHBondContact O-ND2 3.18Å; E41-N44 PolarHBondContact O-N 3.28Å; N44-F46 VanDerWaalsContact C-N 3.34Å; N44-F46 PolarHBondContact O-N 3.27Å; N44-V47 PolarHBondContact O-N 2.93Å; N44-D48 VanDerWaalsContact O-CG 3.31Å; N44-D48 PolarHBondContact O-N 3.2Å
45L93.6Very high93.8Very high74 Ų7452.1 Ų52.139%0.38728%0.276SS..Hα-helixtrans-60.7-41.9177.5-177.861.9000112.3F14 E41 N42 V47 D48 Q49F14-L45 HydrophobicContact CD1-CD1 4.45Å; F14-L45 HydrophobicContact CD1-CD2 3.68Å; F14-L45 HydrophobicContact CD1-CG 3.73Å; F14-L45 HydrophobicContact CE1-CD1 4.49Å; F14-L45 HydrophobicContact CE1-CD2 4.06Å; F14-L45 HydrophobicContact CE1-CG 4.21Å; E41-L45 WeakPolarHBondContact O-CB 3.24Å; E41-L45 PolarHBondContact O-N 2.86Å; N42-L45 PolarHBondContact O-N 3.41Å; L45-V47 VanDerWaalsContact C-N 3.35Å; L45-V47 PolarHBondContact O-N 3.09Å; L45-D48 PolarHBondContact O-N 2.69Å; L45-Q49 HydrophobicContact CD1-CG 4.48Å; L45-Q49 WeakPolarHBondContact O-CG 3.36Å; L45-Q49 PolarHBondContact O-N 2.75Å
46F93.8Very high93.4Very high5 Ų558 Ų582%0.02231%0.311CS..Hα-helixtrans-56.8-47.7174.3177.2-94.3000111.8L11 F14 V15 N42 L43 N44 Q49 L50 L107 I110 L134L11-F46 HydrophobicContact CB-CE2 4.12Å; L11-F46 HydrophobicContact CD2-CD2 4.38Å; L11-F46 HydrophobicContact CD2-CE2 4.09Å; L11-F46 HydrophobicContact CD2-CZ 4.48Å; F14-F46 HydrophobicContact CB-CB 4.41Å; F14-F46 HydrophobicContact CB-CD2 4.23Å; F14-F46 WeakPolarHBondContact O-CB 3.29Å; V15-F46 HydrophobicContact CG2-CD2 4.26Å; V15-F46 HydrophobicContact CG2-CE2 3.95Å; N42-F46 WeakPolarHBondContact O-CB 3.4Å; N42-F46 PolarHBondContact O-N 2.8Å; L43-F46 WeakPolarHBondContact O-CB 3.4Å; L43-F46 PolarHBondContact O-N 2.99Å; N44-F46 VanDerWaalsContact C-N 3.34Å; N44-F46 PolarHBondContact O-N 3.27Å; F46-Q49 PolarHBondContact O-N 3.25Å; F46-L50 HydrophobicContact CE1-CD2 4.4Å; F46-L50 WeakPolarHBondContact O-CB 3.45Å; F46-L50 PolarHBondContact O-N 3.4Å; F46-L107 HydrophobicContact CD1-CD2 3.87Å; F46-L107 HydrophobicContact CD2-CD2 4.45Å; F46-L107 HydrophobicContact CE1-CD2 3.76Å; F46-L107 HydrophobicContact CE2-CD2 4.34Å; F46-L107 HydrophobicContact CG-CD2 4.23Å; F46-L107 HydrophobicContact CZ-CD2 4.01Å; F46-I110 HydrophobicContact CE1-CG2 4.23Å; F46-I110 HydrophobicContact CZ-CG2 4.14Å; F46-L134 HydrophobicContact CE2-CD1 4.08Å; F46-L134 HydrophobicContact CE2-CD2 4.25Å; F46-L134 HydrophobicContact CZ-CD1 3.78Å; F46-L134 HydrophobicContact CZ-CD2 4.31Å
47V94.3Very high93Very high20 Ų2059 Ų5912%0.12132%0.319CS..Hα-helixtrans-66.9-39.8-179.6170.60000111.6L43 N44 L45 Q49 L50 N51 F67L43-V47 WeakPolarHBondContact O-CG2 3.32Å; L43-V47 PolarHBondContact O-N 3.29Å; N44-V47 PolarHBondContact O-N 2.93Å; L45-V47 VanDerWaalsContact C-N 3.35Å; L45-V47 PolarHBondContact O-N 3.09Å; V47-Q49 VanDerWaalsContact C-N 3.35Å; V47-Q49 PolarHBondContact O-N 3.48Å; V47-L50 PolarHBondContact O-N 3.31Å; V47-N51 WeakPolarHBondContact O-CB 3.43Å; V47-N51 PolarHBondContact O-N 3.02Å; V47-N51 PolarHBondContact O-ND2 3.28Å; V47-F67 HydrophobicContact CB-CD1 4.23Å; V47-F67 HydrophobicContact CB-CE1 4.36Å; V47-F67 HydrophobicContact CB-CG 4.47Å; V47-F67 HydrophobicContact CG1-CB 4.38Å; V47-F67 HydrophobicContact CG1-CD1 4.23Å; V47-F67 HydrophobicContact CG1-CD2 4.06Å; V47-F67 HydrophobicContact CG1-CE2 4.41Å; V47-F67 HydrophobicContact CG1-CG 3.97Å; V47-F67 HydrophobicContact CG2-CD1 4.06Å; V47-F67 HydrophobicContact CG2-CE1 3.68Å; V47-F67 HydrophobicContact CG2-CE2 4.27Å; V47-F67 HydrophobicContact CG2-CZ 3.79Å
48D93.8Very high92.8Very high89 Ų8961 Ų6148%0.47634%0.344SS..Hα-helixtrans-61.8-43.6176.4-69.5-17.5000111.4N44 L45 N51 Q52N44-D48 VanDerWaalsContact O-CG 3.31Å; N44-D48 PolarHBondContact O-N 3.2Å; L45-D48 PolarHBondContact O-N 2.69Å; D48-N51 PolarHBondContact O-N 2.93Å; D48-Q52 PolarHBondContact O-N 3.47Å
49Q92.6Very high92.6Very high47 Ų4762 Ų6222%0.2235%0.347CS..Hα-helixtrans-65.6-40.7175.4-69.1-59.7-55.400112.3L11 F14 L45 F46 V47 Q52 I53L11-Q49 HydrophobicContact CD2-CB 4.17Å; F14-Q49 HydrophobicContact CD1-CG 3.94Å; F14-Q49 HydrophobicContact CD2-CB 4.13Å; F14-Q49 HydrophobicContact CD2-CG 3.79Å; F14-Q49 HydrophobicContact CE1-CG 3.9Å; F14-Q49 HydrophobicContact CE2-CB 4.39Å; F14-Q49 HydrophobicContact CE2-CG 3.76Å; F14-Q49 HydrophobicContact CG-CB 4.39Å; F14-Q49 HydrophobicContact CG-CG 3.87Å; F14-Q49 HydrophobicContact CZ-CG 3.81Å; L45-Q49 HydrophobicContact CD1-CG 4.48Å; L45-Q49 WeakPolarHBondContact O-CG 3.36Å; L45-Q49 PolarHBondContact O-N 2.75Å; F46-Q49 PolarHBondContact O-N 3.25Å; V47-Q49 VanDerWaalsContact C-N 3.35Å; V47-Q49 PolarHBondContact O-N 3.48Å; Q49-Q52 PolarHBondContact O-N 3.06Å; Q49-I53 WeakPolarHBondContact O-CD1 3.5Å; Q49-I53 VanDerWaalsContact O-CG1 3.29Å; Q49-I53 WeakPolarHBondContact O-CG1 3.45Å; Q49-I53 PolarHBondContact O-N 2.99Å
50L92.4Very high92.4Very high31 Ų3165.3 Ų65.316%0.16235%0.35CS..Hα-helixtrans-60.8-46.8174.7175.961.9000111.4L11 F46 V47 Q52 I53 L54 I110L11-L50 HydrophobicContact CD1-CD1 3.77Å; L11-L50 HydrophobicContact CD2-CB 3.97Å; F46-L50 HydrophobicContact CE1-CD2 4.4Å; F46-L50 WeakPolarHBondContact O-CB 3.45Å; F46-L50 PolarHBondContact O-N 3.4Å; V47-L50 PolarHBondContact O-N 3.31Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 PolarHBondContact O-N 2.86Å; L50-I53 PolarHBondContact O-N 3.39Å; L50-L54 HydrophobicContact CD1-CD1 4.13Å; L50-L54 HydrophobicContact CD1-CG 4.24Å; L50-L54 HydrophobicContact CG-CD1 4.09Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 2.76Å; L50-I110 HydrophobicContact CD1-CD1 4.42Å
51N92.7Very high92.2Very high28 Ų2866 Ų6615%0.1536%0.355CS..Hα-helixtrans-58.5-46.1176.1-77.8-37.8000111.3V47 D48 I53 L54 H55 T61 D63V47-N51 WeakPolarHBondContact O-CB 3.43Å; V47-N51 PolarHBondContact O-N 3.02Å; V47-N51 PolarHBondContact O-ND2 3.28Å; D48-N51 PolarHBondContact O-N 2.93Å; N51-I53 VanDerWaalsContact C-N 3.34Å; N51-I53 PolarHBondContact O-N 2.9Å; N51-L54 PolarHBondContact O-N 3.38Å; N51-H55 PolarHBondContact O-CD2 3.05Å; N51-H55 PolarHBondContact O-N 3.24Å; N51-T61 VanDerWaalsContact OD1-CB 3.29Å; N51-T61 WeakPolarHBondContact OD1-CB 3.45Å; N51-T61 WeakPolarHBondContact OD1-CG2 3.5Å; N51-T61 PolarHBondContact OD1-OG1 3.39Å; N51-D63 HydrophobicContact CB-CB 4.31Å
52Q91Very high91.9Very high111 Ų11163.1 Ų63.152%0.51934%0.344SS..Hα-helixtrans-59.2-43.8178.2-172.8177.81300112.2D48 Q49 L50 H55 V56D48-Q52 PolarHBondContact O-N 3.47Å; Q49-Q52 PolarHBondContact O-N 3.06Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 PolarHBondContact O-N 2.86Å; Q52-H55 PolarHBondContact O-N 3.46Å; Q52-V56 WeakPolarHBondContact O-CG2 3.23Å; Q52-V56 PolarHBondContact O-N 3.14Å
53I90.2Very high91.4Very high21 Ų2162.5 Ų62.511%0.10834%0.341CS..Hα-helixtrans-64.6-41.9178.4-67.1159.1000111A7 K10 L11 Q49 L50 N51 V56 A57A7-I53 HydrophobicContact CB-CB 4.45Å; A7-I53 HydrophobicContact CB-CD1 4.03Å; A7-I53 HydrophobicContact CB-CG2 3.63Å; K10-I53 HydrophobicContact CB-CD1 4.09Å; L11-I53 HydrophobicContact CD1-CD1 4.43Å; L11-I53 HydrophobicContact CD2-CD1 3.84Å; L11-I53 HydrophobicContact CG-CD1 3.73Å; Q49-I53 WeakPolarHBondContact O-CD1 3.5Å; Q49-I53 VanDerWaalsContact O-CG1 3.29Å; Q49-I53 WeakPolarHBondContact O-CG1 3.45Å; Q49-I53 PolarHBondContact O-N 2.99Å; L50-I53 PolarHBondContact O-N 3.39Å; N51-I53 VanDerWaalsContact C-N 3.34Å; N51-I53 PolarHBondContact O-N 2.9Å; I53-V56 PolarHBondContact O-N 3.32Å; I53-A57 PolarHBondContact O-N 3.11Å; I53-A57 VanDerWaalsContact O-N 3.11Å
54L90.2Very high90.6Very high38 Ų3869.9 Ų69.920%0.19938%0.375CS..Hα-helixtrans-63.5-43.1177-71.1174.4000111.8L50 N51 A57 G58 F59 T61L50-L54 HydrophobicContact CD1-CD1 4.13Å; L50-L54 HydrophobicContact CD1-CG 4.24Å; L50-L54 HydrophobicContact CG-CD1 4.09Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.38Å; L50-L54 PolarHBondContact O-N 2.76Å; N51-L54 PolarHBondContact O-N 3.38Å; L54-A57 CarbonylContact O-C 3.52Å; L54-A57 PolarHBondContact O-N 3.18Å; L54-G58 PolarHBondContact O-N 3.41Å; L54-F59 HydrophobicContact CB-CB 4.17Å; L54-F59 HydrophobicContact CD2-CD2 4.09Å; L54-F59 WeakPolarHBondContact O-CB 3.37Å; L54-F59 PolarHBondContact O-N 3.43Å; L54-T61 HydrophobicContact CB-CG2 3.92Å; L54-T61 HydrophobicContact CD1-CG2 3.85Å
55H90.6Very high90.2Very high70 Ų7074 Ų7432%0.32439%0.391SS..Hα-helixtrans-61-45.5175.6-80.8-67.1000112.7N51 Q52 A57 G58 F59 T61 D63N51-H55 PolarHBondContact O-CD2 3.05Å; N51-H55 PolarHBondContact O-N 3.24Å; Q52-H55 PolarHBondContact O-N 3.46Å; H55-A57 PolarHBondContact O-N 3.2Å; H55-G58 WeakPolarHBondContact O-CA 3.45Å; H55-G58 PolarHBondContact O-N 2.91Å; H55-F59 WeakPolarHBondContact CA-O 3.2Å; H55-F59 PolarHBondContact ND1-O 3.27Å; H55-T61 PolarHBondContact NE2-OG1 3.11Å; H55-T61 VanDerWaalsContact NE2-OG1 3.1Å; H55-D63 IonicContact CD2-OD2 3.64Å; H55-D63 PolarHBondContact CD2-OD2 3.4Å; H55-D63 IonicContact CE1-OD2 2.69Å; H55-D63 VanDerWaalsContact NE2-CG 3.29Å; H55-D63 IonicContact NE2-OD1 2.75Å; H55-D63 IonicContact NE2-OD2 3.71Å; H55-D63 PolarHBondContact NE2-OD2 2.86Å
56V90.3Very high90.1Very high126 Ų12680.1 Ų80.176%0.76442%0.415SS*.Hα-helixtrans-61-32.9176.8170.10000111.5Q52 I53 G58Q52-V56 WeakPolarHBondContact O-CG2 3.23Å; Q52-V56 PolarHBondContact O-N 3.14Å; I53-V56 PolarHBondContact O-N 3.32Å; V56-G58 PolarHBondContact O-N 3.43Å
57A89.9Confident90.1Very high48 Ų4883.7 Ų83.740%0.39743%0.43SS..THydrogen-bonded Turntrans-79.62.2174.700000114.3A3 I53 L54 H55 F59A3-A57 HydrophobicContact CB-CB 3.41Å; A3-A57 VanDerWaalsContact CB-CB 3.41Å; I53-A57 PolarHBondContact O-N 3.11Å; I53-A57 VanDerWaalsContact O-N 3.11Å; L54-A57 CarbonylContact O-C 3.52Å; L54-A57 PolarHBondContact O-N 3.18Å; H55-A57 PolarHBondContact O-N 3.2Å; A57-F59 HydrophobicContact CB-CD2 3.86Å; A57-F59 HydrophobicContact CB-CE2 3.96Å
58G91.9Very high90.1Very high60 Ų6087.8 Ų87.862%0.61945%0.447SS*.THydrogen-bonded Turntrans87.314.1177.100000115.1L54 H55 V56L54-G58 PolarHBondContact O-N 3.41Å; H55-G58 WeakPolarHBondContact O-CA 3.45Å; H55-G58 PolarHBondContact O-N 2.91Å; V56-G58 PolarHBondContact O-N 3.43Å
59F91.3Very high90.2Very high109 Ų10984.6 Ų84.648%0.47843%0.431SS..  trans-91.1142.5174.3-62.9-81000111.3A3 L54 H55 A57A3-F59 HydrophobicContact CB-CE2 3.98Å; L54-F59 HydrophobicContact CB-CB 4.17Å; L54-F59 HydrophobicContact CD2-CD2 4.09Å; L54-F59 WeakPolarHBondContact O-CB 3.37Å; L54-F59 PolarHBondContact O-N 3.43Å; H55-F59 WeakPolarHBondContact CA-O 3.2Å; H55-F59 PolarHBondContact ND1-O 3.27Å; A57-F59 HydrophobicContact CB-CD2 3.86Å; A57-F59 HydrophobicContact CB-CE2 3.96Å
60H90.9Very high90.4Very high182 Ų18285.9 Ų85.984%0.84344%0.437SS*.  trans-90.9130169.8-62.6-66.3000110.3
61T89.9Confident90.7Very high33 Ų3388.3 Ų88.320%0.20245%0.449CS..  trans-114.3164.8172.466.60000110.6N51 L54 H55 D63N51-T61 VanDerWaalsContact OD1-CB 3.29Å; N51-T61 WeakPolarHBondContact OD1-CB 3.45Å; N51-T61 WeakPolarHBondContact OD1-CG2 3.5Å; N51-T61 PolarHBondContact OD1-OG1 3.39Å; L54-T61 HydrophobicContact CB-CG2 3.92Å; L54-T61 HydrophobicContact CD1-CG2 3.85Å; H55-T61 PolarHBondContact NE2-OG1 3.11Å; H55-T61 VanDerWaalsContact NE2-OG1 3.1Å; T61-D63 PolarHBondContact O-N 2.81Å
62D86.6Confident90.8Very high103 Ų10389.1 Ų89.155%0.55146%0.457SS*.  trans-89.139.9175.6-168.323.4000111.1Q64 K65D62-Q64 PolarHBondContact O-N 2.87Å; D62-K65 PolarHBondContact O-N 3.32Å; D62-K65 IonicContact OD1-NZ 3.45Å; D62-K65 PolarHBondContact OD1-NZ 2.87Å; D62-K65 IonicContact OD2-NZ 3.41Å; D62-K65 PolarHBondContact OD2-NZ 3.33Å
63D83.1Confident91Very high61 Ų6188.7 Ų88.733%0.32646%0.457SS..THydrogen-bonded Turntrans-69.2-9.5-177.268.1-16.3000113.9N51 H55 T61 K65N51-D63 HydrophobicContact CB-CB 4.31Å; H55-D63 IonicContact CD2-OD2 3.64Å; H55-D63 PolarHBondContact CD2-OD2 3.4Å; H55-D63 IonicContact CE1-OD2 2.69Å; H55-D63 VanDerWaalsContact NE2-CG 3.29Å; H55-D63 IonicContact NE2-OD1 2.75Å; H55-D63 IonicContact NE2-OD2 3.71Å; H55-D63 PolarHBondContact NE2-OD2 2.86Å; T61-D63 PolarHBondContact O-N 2.81Å; D63-K65 PolarHBondContact O-N 2.8Å
64Q79.6Confident91.2Very high168 Ų16892 Ų9279%0.78547%0.473SS*.THydrogen-bonded Turntrans-66.1-21.3173.3-57.2-54.6-58.400112.7D62D62-Q64 PolarHBondContact O-N 2.87Å
65K86.1Confident91.3Very high131 Ų13195.3 Ų95.357%0.5749%0.486SS*.SBendtrans-98.1139.1174.8-61-166-167.279.80109.6D62 D63 F67D62-K65 PolarHBondContact O-N 3.32Å; D62-K65 IonicContact OD1-NZ 3.45Å; D62-K65 PolarHBondContact OD1-NZ 2.87Å; D62-K65 IonicContact OD2-NZ 3.41Å; D62-K65 PolarHBondContact OD2-NZ 3.33Å; D63-K65 PolarHBondContact O-N 2.8Å; K65-F67 PolarHBondContact O-N 3.11Å; K65-F67 VanDerWaalsContact O-N 3.11Å
66K90.4Very high91.5Very high201 Ų20192.9 Ų92.987%0.87448%0.475SS*.PPolyproline II helixtrans-53.8121.9171-177.5174-179.6174.20109.5K68K66-K68 PolarHBondContact O-N 3.28Å
67F94.3Very high91.6Very high80 Ų8090.9 Ų90.935%0.35146%0.46SS..PPolyproline II helixtrans-57.8129.1175.7178-118.1000110L43 V47 K65 P69L43-F67 HydrophobicContact CD2-CE1 4.28Å; L43-F67 HydrophobicContact CG-CE1 4.16Å; V47-F67 HydrophobicContact CB-CD1 4.23Å; V47-F67 HydrophobicContact CB-CE1 4.36Å; V47-F67 HydrophobicContact CB-CG 4.47Å; V47-F67 HydrophobicContact CG1-CB 4.38Å; V47-F67 HydrophobicContact CG1-CD1 4.23Å; V47-F67 HydrophobicContact CG1-CD2 4.06Å; V47-F67 HydrophobicContact CG1-CE2 4.41Å; V47-F67 HydrophobicContact CG1-CG 3.97Å; V47-F67 HydrophobicContact CG2-CD1 4.06Å; V47-F67 HydrophobicContact CG2-CE1 3.68Å; V47-F67 HydrophobicContact CG2-CE2 4.27Å; V47-F67 HydrophobicContact CG2-CZ 3.79Å; K65-F67 PolarHBondContact O-N 3.11Å; K65-F67 VanDerWaalsContact O-N 3.11Å; F67-P69 HydrophobicContact CD1-CG 4.5Å; F67-P69 HydrophobicContact CE1-CB 3.67Å; F67-P69 HydrophobicContact CE1-CG 3.91Å; F67-P69 HydrophobicContact CZ-CB 3.63Å; F67-P69 HydrophobicContact CZ-CG 4.36Å
68K94.9Very high91.7Very high107 Ų10799.7 Ų99.747%0.46548%0.483SS..  trans-128.295.3175.6-166.8-178.9-164176.90107.9F28 Y34 K66 H70F28-K68 HydrophobicContact CE1-CD 3.62Å; F28-K68 HydrophobicContact CZ-CB 4.42Å; F28-K68 HydrophobicContact CZ-CD 3.85Å; F28-K68 HydrophobicContact CZ-CG 4.45Å; Y34-K68 WeakPolarHBondContact OH-CE 3.12Å; Y34-K68 PolarHBondContact OH-NZ 2.77Å; K66-K68 PolarHBondContact O-N 3.28Å; K68-H70 PolarHBondContact O-N 3.05Å; K68-H70 PolarHBondContact O-ND1 3.08Å
69P96.1Very high91.7Very high21 Ų21100.2 Ų100.214%0.13648%0.478CS..  trans-63.2131.6-179.226.7-33.4000109.8V37 L43 F67V37-P69 HydrophobicContact CB-CB 3.83Å; V37-P69 HydrophobicContact CB-CG 3.97Å; V37-P69 HydrophobicContact CG1-CB 4.27Å; V37-P69 HydrophobicContact CG1-CG 4.32Å; V37-P69 HydrophobicContact CG2-CB 4.15Å; V37-P69 PolarHBondContact N-O 3.19Å; L43-P69 HydrophobicContact CD2-CB 3.91Å; L43-P69 HydrophobicContact CD2-CG 4.08Å; F67-P69 HydrophobicContact CD1-CG 4.5Å; F67-P69 HydrophobicContact CE1-CB 3.67Å; F67-P69 HydrophobicContact CE1-CG 3.91Å; F67-P69 HydrophobicContact CZ-CB 3.63Å; F67-P69 HydrophobicContact CZ-CG 4.36Å
70H97.1Very high91.7Very high75 Ų7597.3 Ų97.335%0.34747%0.469SS..EExtended strand (participates in β ladder)trans-158.1150.2-174.766-82000111.4F28 Y34 K68F28-H70 AromaticContact CE2-CD2 3.79Å; F28-H70 AromaticContact CE2-CE1 3.73Å; F28-H70 AromaticContact CE2-CG 3.87Å; F28-H70 AromaticContact CE2-ND1 3.82Å; F28-H70 AromaticContact CE2-NE2 3.7Å; F28-H70 AromaticContact CZ-ND1 3.9Å; Y34-H70 HydrophobicContact CD1-CB 4.29Å; Y34-H70 HydrophobicContact CD2-CB 3.53Å; Y34-H70 HydrophobicContact CE2-CB 4.14Å; Y34-H70 HydrophobicContact CG-CB 3.65Å; K68-H70 PolarHBondContact O-N 3.05Å; K68-H70 PolarHBondContact O-ND1 3.08Å
71I97.2Very high91.9Very high82 Ų8289.6 Ų89.642%0.42144%0.435SS..EExtended strand (participates in β ladder)trans-107.4105.1172.6-57.6173.4000107.4V22 Y34 A35 L73V22-I71 HydrophobicContact CG1-CD1 4.09Å; V22-I71 HydrophobicContact CG2-CD1 3.83Å; Y34-I71 CarbonylContact C-O 3.54Å; Y34-I71 WeakPolarHBondContact CA-O 3.29Å; Y34-I71 VanDerWaalsContact CB-O 3.26Å; Y34-I71 WeakPolarHBondContact CB-O 3.19Å; A35-I71 HydrophobicContact CB-CB 4.35Å; A35-I71 PolarHBondContact N-O 3.02Å; A35-I71 PolarHBondContact O-N 3.02Å; I71-L73 PolarHBondContact O-N 3.14Å
72S95.9Very high92.1Very high45 Ų4597 Ų9732%0.31546%0.464SS..EExtended strand (participates in β ladder)trans-63.6121.2-179.9-720000110.9K75S72-K75 WeakPolarHBondContact OG-CE 3.47Å
73L94.7Very high92.5Very high101 Ų101100.5 Ų100.553%0.52948%0.475SS..EExtended strand (participates in β ladder)trans-96.4-41.5177-58176.9000111.3V25 L33 A35 I71V25-L73 HydrophobicContact CG1-CD1 4.49Å; L33-L73 HydrophobicContact CD2-CB 4.33Å; L33-L73 HydrophobicContact CD2-CD1 4.39Å; L33-L73 HydrophobicContact CG-CB 4.45Å; L33-L73 HydrophobicContact CG-CD1 4.42Å; L33-L73 PolarHBondContact O-N 3.1Å; A35-L73 HydrophobicContact CB-CD1 4.32Å; I71-L73 PolarHBondContact O-N 3.14Å
74M93.5Very high92.9Very high90 Ų90101.6 Ų101.644%0.44348%0.483SS..EExtended strand (participates in β ladder)trans-147.2143-177.2-172.9-174-67.200111.4V32 L33 V89V32-M74 CarbonylContact C-O 3.52Å; V32-M74 WeakPolarHBondContact CA-O 3.48Å; L33-M74 HydrophobicContact CB-CB 4.19Å; L33-M74 HydrophobicContact CD2-CB 4.49Å; L33-M74 PolarHBondContact N-O 3.3Å; L33-M74 PolarHBondContact O-N 3.21Å; M74-V89 HydrophobicContact SD-CG1 4.47Å; M74-V89 HydrophobicContact SD-CG2 4.19Å
75K94.1Very high93.7Very high108 Ų10897 Ų9747%0.4748%0.482SS..EExtended strand (participates in β ladder)trans-131.4125177.2-61.6-176.4-178.5176.20111.8V32 S72 N77V32-K75 HydrophobicContact CG1-CG 4.07Å; V32-K75 HydrophobicContact CG2-CG 4.1Å; S72-K75 WeakPolarHBondContact OG-CE 3.47Å; K75-N77 VanDerWaalsContact C-N 3.34Å; K75-N77 PolarHBondContact O-N 2.9Å
76M94.2Very high94.1Very high20 Ų2094 Ų9410%0.09948%0.475CS..  trans-80.978.2172.4-61.2-62.6-73.300110R31 V80 V84 T86 V89R31-M76 HydrophobicContact CB-CB 4.41Å; R31-M76 WeakPolarHBondContact O-CB 3.5Å; R31-M76 PolarHBondContact O-N 3.24Å; M76-V80 HydrophobicContact CE-CG1 4.32Å; M76-V80 HydrophobicContact SD-CG1 3.83Å; M76-V84 HydrophobicContact CE-CG2 3.58Å; M76-T86 HydrophobicContact CE-CG2 4.22Å; M76-T86 WeakPolarHBondContact CE-O 3.13Å; M76-V89 HydrophobicContact CG-CG2 3.64Å; M76-V89 HydrophobicContact SD-CG2 4.14Å
77N91.3Very high94.2Very high84 Ų8492.2 Ų92.245%0.44947%0.467SS..  trans-76.4172.5170.172.743.9000110.9K75 S79 V80 S81K75-N77 VanDerWaalsContact C-N 3.34Å; K75-N77 PolarHBondContact O-N 2.9Å; N77-S79 VanDerWaalsContact C-N 3.27Å; N77-S79 PolarHBondContact O-N 3.22Å; N77-S79 WeakPolarHBondContact OD1-CA 3.34Å; N77-S79 VanDerWaalsContact OD1-CB 3.29Å; N77-S79 WeakPolarHBondContact OD1-CB 3.31Å; N77-S79 PolarHBondContact OD1-N 2.91Å; N77-V80 PolarHBondContact O-N 3.36Å; N77-V80 PolarHBondContact OD1-N 3.12Å; N77-S81 WeakPolarHBondContact O-CB 3.25Å; N77-S81 PolarHBondContact O-N 3.03Å; N77-S81 PolarHBondContact O-OG 3.44Å
78R92.1Very high94.3Very high233 Ų23395 Ų9588%0.87948%0.478SS*.Hα-helixtrans-58.2-37.7-178.3-173.2178.5-178.7-176.90.7112.9K82R78-K82 WeakPolarHBondContact O-CB 3.18Å; R78-K82 PolarHBondContact O-N 3.19Å; R78-K82 VanDerWaalsContact O-N 3.11Å
79S92.1Very high94.1Very high71 Ų7190.8 Ų90.850%0.49746%0.462SS..Hα-helixtrans-68.9-48.6179.9-175.40000111.1N77 K82 K83N77-S79 VanDerWaalsContact C-N 3.27Å; N77-S79 PolarHBondContact O-N 3.22Å; N77-S79 WeakPolarHBondContact OD1-CA 3.34Å; N77-S79 VanDerWaalsContact OD1-CB 3.29Å; N77-S79 WeakPolarHBondContact OD1-CB 3.31Å; N77-S79 PolarHBondContact OD1-N 2.91Å; S79-K82 PolarHBondContact O-N 2.93Å; S79-K83 WeakPolarHBondContact O-CG 3.11Å; S79-K83 PolarHBondContact O-N 3.5Å; S79-K83 VanDerWaalsContact O-N 3.14Å
80V92.6Very high93.9Very high48 Ų4893.5 Ų93.529%0.29148%0.475SS..Hα-helixtrans-59.5-49.5176175.80000110.1M76 N77 K82 K83 V84M76-V80 HydrophobicContact CE-CG1 4.32Å; M76-V80 HydrophobicContact SD-CG1 3.83Å; N77-V80 PolarHBondContact O-N 3.36Å; N77-V80 PolarHBondContact OD1-N 3.12Å; V80-K82 VanDerWaalsContact C-N 3.26Å; V80-K82 PolarHBondContact O-N 3.5Å; V80-K83 PolarHBondContact O-N 3.26Å; V80-V84 HydrophobicContact CG1-CG1 4.36Å; V80-V84 HydrophobicContact CG1-CG2 4.47Å; V80-V84 WeakPolarHBondContact O-CG2 3.26Å; V80-V84 PolarHBondContact O-N 2.98Å
81S94.1Very high93.3Very high20 Ų2094.9 Ų94.914%0.1449%0.491CS..Hα-helixtrans-58.8-36.9-179.1-54.30000112.7N77 G85 T86N77-S81 WeakPolarHBondContact O-CB 3.25Å; N77-S81 PolarHBondContact O-N 3.03Å; N77-S81 PolarHBondContact O-OG 3.44Å; S81-G85 PolarHBondContact O-N 2.82Å; S81-G85 VanDerWaalsContact O-N 3.09Å; S81-T86 VanDerWaalsContact CA-O 3.23Å; S81-T86 WeakPolarHBondContact CA-O 3.44Å; S81-T86 WeakPolarHBondContact CB-O 3.36Å
82K94.6Very high92.9Very high188 Ų18897.3 Ų97.382%0.81751%0.505SS*.Hα-helixtrans-68.2-38.8176.2-173.9179.7178.3-176.40112R78 S79 V80R78-K82 WeakPolarHBondContact O-CB 3.18Å; R78-K82 PolarHBondContact O-N 3.19Å; R78-K82 VanDerWaalsContact O-N 3.11Å; S79-K82 PolarHBondContact O-N 2.93Å; V80-K82 VanDerWaalsContact C-N 3.26Å; V80-K82 PolarHBondContact O-N 3.5Å
83K94.4Very high92.5Very high176 Ų176100.4 Ų100.477%0.76552%0.517SS*.Hα-helixtrans-70.9-42.2-179.3-72.3-179.2179.4-172.30112.6S79 V80S79-K83 WeakPolarHBondContact O-CG 3.11Å; S79-K83 PolarHBondContact O-N 3.5Å; S79-K83 VanDerWaalsContact O-N 3.14Å; V80-K83 PolarHBondContact O-N 3.26Å
84V92.7Very high92.3Very high84 Ų8496.4 Ų96.451%0.50950%0.497SS..Hα-helixtrans-90.3-9.1-175.3-56.60000113.6M76 V80 T86M76-V84 HydrophobicContact CE-CG2 3.58Å; V80-V84 HydrophobicContact CG1-CG1 4.36Å; V80-V84 HydrophobicContact CG1-CG2 4.47Å; V80-V84 WeakPolarHBondContact O-CG2 3.26Å; V80-V84 PolarHBondContact O-N 2.98Å; V84-T86 HydrophobicContact CG2-CG2 3.86Å; V84-T86 PolarHBondContact O-N 2.88Å
85G95.2Very high92.1Very high73 Ų7393.9 Ų93.975%0.75350%0.495SS*.SBendtrans76.42177.600000115.4S81S81-G85 PolarHBondContact O-N 2.82Å; S81-G85 VanDerWaalsContact O-N 3.09Å
86T94Very high92.1Very high68 Ų6896 Ų9642%0.41751%0.506SS..  trans-131153.3176.6177.40000111.5M76 S81 V84 K88M76-T86 HydrophobicContact CE-CG2 4.22Å; M76-T86 WeakPolarHBondContact CE-O 3.13Å; S81-T86 VanDerWaalsContact CA-O 3.23Å; S81-T86 WeakPolarHBondContact CA-O 3.44Å; S81-T86 WeakPolarHBondContact CB-O 3.36Å; V84-T86 HydrophobicContact CG2-CG2 3.86Å; V84-T86 PolarHBondContact O-N 2.88Å; T86-K88 WeakPolarHBondContact CG2-O 3.22Å; T86-K88 PolarHBondContact OG1-N 3.46Å; T86-K88 PolarHBondContact OG1-O 3.26Å
87K94.3Very high92.1Very high163 Ų16398.4 Ų98.471%0.70952%0.516SS*.SBendtrans-92.9-7.9175.3-64.8179.4-177173.70113
88K94.6Very high92.2Very high137 Ų13799.3 Ų99.360%0.59652%0.521SS*.SBendtrans-121.3145.7-173.7-65.6-176.3178-178.50111.1G30 T86G30-K88 CarbonylContact O-C 3.5Å; G30-K88 VanDerWaalsContact O-CA 3.25Å; G30-K88 WeakPolarHBondContact O-CA 3.29Å; T86-K88 WeakPolarHBondContact CG2-O 3.22Å; T86-K88 PolarHBondContact OG1-N 3.46Å; T86-K88 PolarHBondContact OG1-O 3.26Å
89V92.4Very high92.3Very high20 Ų2094.7 Ų94.712%0.12151%0.513CS..  trans-68.6133.7164.8-176.30000107.9G30 M74 M76 P91 L93G30-V89 PolarHBondContact O-N 3.46Å; M74-V89 HydrophobicContact SD-CG1 4.47Å; M74-V89 HydrophobicContact SD-CG2 4.19Å; M76-V89 HydrophobicContact CG-CG2 3.64Å; M76-V89 HydrophobicContact SD-CG2 4.14Å; V89-P91 WeakPolarHBondContact O-CD 3.26Å; V89-L93 HydrophobicContact CG1-CD1 4.39Å
90D90Very high92.5Very high78 Ų7893.6 Ų93.642%0.41750%0.504SS..  trans-67.4119.8174.5178.2-4.3000109.3N92 L93D90-N92 PolarHBondContact O-N 2.91Å; D90-N92 WeakPolarHBondContact OD1-CB 3.28Å; D90-N92 PolarHBondContact OD1-N 2.98Å; D90-N92 PolarHBondContact OD1-ND2 3.18Å; D90-N92 VanDerWaalsContact OD1-ND2 3.12Å; D90-L93 HydrophobicContact CB-CD1 3.91Å; D90-L93 HydrophobicContact CB-CG 3.97Å; D90-L93 WeakPolarHBondContact O-CB 3.42Å; D90-L93 PolarHBondContact O-N 3.28Å
91P85.1Confident92.8Very high104 Ų10497.2 Ų97.268%0.67552%0.517SS*.G310 helixtrans-60.9-24.7-178.625.6-35.6000113.5V89 L93 C94V89-P91 WeakPolarHBondContact O-CD 3.26Å; P91-L93 PolarHBondContact O-N 3.09Å; P91-C94 PolarHBondContact O-N 2.83Å
92N89.1Confident92.9Very high133 Ų133100.6 Ų100.671%0.71153%0.53SS*.G310 helixtrans-68.7-24.2180-61.3-46.6000112.5D90 C94 G95D90-N92 PolarHBondContact O-N 2.91Å; D90-N92 WeakPolarHBondContact OD1-CB 3.28Å; D90-N92 PolarHBondContact OD1-N 2.98Å; D90-N92 PolarHBondContact OD1-ND2 3.18Å; D90-N92 VanDerWaalsContact OD1-ND2 3.12Å; N92-C94 PolarHBondContact O-N 2.88Å; N92-C94 VanDerWaalsContact O-N 3.12Å; N92-G95 PolarHBondContact O-N 2.79Å
93L88.5Confident93.1Very high110 Ų11093 Ų9358%0.57651%0.505SS*.G310 helixtrans-63.9-17.1179.4-67.4172.6000113.4V89 D90 P91V89-L93 HydrophobicContact CG1-CD1 4.39Å; D90-L93 HydrophobicContact CB-CD1 3.91Å; D90-L93 HydrophobicContact CB-CG 3.97Å; D90-L93 WeakPolarHBondContact O-CB 3.42Å; D90-L93 PolarHBondContact O-N 3.28Å; P91-L93 PolarHBondContact O-N 3.09Å
94C89.6Confident93.2Very high16 Ų1688 Ų8811%0.10849%0.489CS..G310 helixtrans-130.413.5-175-46.40000113.6V25 L33 P91 N92 E96 F97V25-C94 HydrophobicContact CG2-CB 3.92Å; L33-C94 HydrophobicContact CD1-CB 4.16Å; L33-C94 WeakPolarHBondContact CD2-SG 3.45Å; P91-C94 PolarHBondContact O-N 2.83Å; N92-C94 PolarHBondContact O-N 2.88Å; N92-C94 VanDerWaalsContact O-N 3.12Å; C94-E96 VanDerWaalsContact C-N 3.28Å; C94-E96 PolarHBondContact O-N 3.19Å; C94-F97 HydrophobicContact CB-CD2 4.41Å; C94-F97 PolarHBondContact O-N 2.96Å
95G90Very high93.3Very high38 Ų3887.4 Ų87.439%0.39248%0.479SS..G310 helixtrans-59.6-37.9-177.900000112.9N92 F97 L98N92-G95 PolarHBondContact O-N 2.79Å; G95-F97 PolarHBondContact O-N 2.99Å; G95-L98 WeakPolarHBondContact O-CG 3.3Å
96E93.4Very high93.2Very high152 Ų15287.5 Ų87.571%0.7147%0.466SS*.G310 helixtrans-68.4-18.2177.269-175.2142.100113.6C94 T100C94-E96 VanDerWaalsContact C-N 3.28Å; C94-E96 PolarHBondContact O-N 3.19Å; E96-T100 PolarHBondContact O-OG1 3.26Å
97F95.2Very high93.1Very high71 Ų7185.5 Ų85.531%0.31145%0.452SS..G310 helixtrans-100.16.2-174.9-57.4-65.6000114.4G24 V25 C94 G95 D99 T100 F102G24-F97 WeakPolarHBondContact CA-O 3.38Å; V25-F97 HydrophobicContact CG1-CB 3.82Å; V25-F97 HydrophobicContact CG2-CB 4.26Å; V25-F97 PolarHBondContact N-O 2.89Å; C94-F97 HydrophobicContact CB-CD2 4.41Å; C94-F97 PolarHBondContact O-N 2.96Å; G95-F97 PolarHBondContact O-N 2.99Å; F97-D99 VanDerWaalsContact C-N 3.27Å; F97-D99 PolarHBondContact O-N 2.78Å; F97-T100 WeakPolarHBondContact CA-OG1 3.05Å; F97-T100 HydrophobicContact CD1-CG2 4.4Å; F97-T100 PolarHBondContact O-N 3.36Å; F97-F102 HydrophobicContact CB-CZ 4.08Å; F97-F102 HydrophobicContact CD1-CE1 4.41Å; F97-F102 HydrophobicContact CD1-CZ 4.41Å; F97-F102 HydrophobicContact CG-CZ 4.47Å
98L93.2Very high92.9Very high103 Ų10382.6 Ų82.654%0.53944%0.444SS..SBendtrans-59.6-37.2-174.7-73.5172.6000112.9G24 V25 G95G24-L98 WeakPolarHBondContact CA-O 3.49Å; V25-L98 HydrophobicContact CG2-CD2 4.04Å; G95-L98 WeakPolarHBondContact O-CG 3.3Å
99D94.1Very high92.7Very high136 Ų13677 Ų7773%0.72742%0.423SS*.SBendtrans-117.37.8-178.6-63.2-55.2000113.4K23 F97 E101K23-D99 WeakPolarHBondContact CE-O 3.45Å; F97-D99 VanDerWaalsContact C-N 3.27Å; F97-D99 PolarHBondContact O-N 2.78Å; D99-E101 PolarHBondContact O-N 2.89Å
100T96.6Very high92.7Very high47 Ų4777.5 Ų77.529%0.28842%0.424SS..  trans-65.9127.9-178.2-61.40000111.3K23 G24 E96 F97 F102K23-T100 CarbonylContact C-O 3.58Å; K23-T100 WeakPolarHBondContact CA-O 3.09Å; G24-T100 PolarHBondContact N-O 2.81Å; E96-T100 PolarHBondContact O-OG1 3.26Å; F97-T100 WeakPolarHBondContact CA-OG1 3.05Å; F97-T100 HydrophobicContact CD1-CG2 4.4Å; F97-T100 PolarHBondContact O-N 3.36Å; T100-F102 HydrophobicContact CG2-CD1 4.33Å; T100-F102 HydrophobicContact CG2-CE1 4.15Å; T100-F102 HydrophobicContact CG2-CZ 4.3Å; T100-F102 WeakPolarHBondContact O-CD2 3.46Å
101E97Very high92.8Very high124 Ų12478.8 Ų78.858%0.57942%0.424SS*.EExtended strand (participates in β ladder)trans-80.1116.8167.3-169.1175.5142.200109.3T21 D99T21-E101 HydrophobicContact CG2-CG 4.41Å; D99-E101 PolarHBondContact O-N 2.89Å
102F97.6Very high93.1Very high92 Ų9277.4 Ų77.440%0.40441%0.411SS..EExtended strand (participates in β ladder)trans-89.1-19.1-180-65.4-79.6000112.3V22 G24 V25 A35 F97 T100V22-F102 HydrophobicContact CB-CB 4.13Å; V22-F102 HydrophobicContact CG1-CB 3.89Å; V22-F102 HydrophobicContact CG1-CD2 4.11Å; V22-F102 HydrophobicContact CG1-CG 4.35Å; V22-F102 PolarHBondContact O-N 2.84Å; G24-F102 WeakPolarHBondContact O-CE2 3.29Å; V25-F102 HydrophobicContact CG1-CE2 4.02Å; V25-F102 HydrophobicContact CG1-CZ 3.82Å; A35-F102 HydrophobicContact CB-CD2 4.11Å; A35-F102 HydrophobicContact CB-CE2 4.17Å; F97-F102 HydrophobicContact CB-CZ 4.08Å; F97-F102 HydrophobicContact CD1-CE1 4.41Å; F97-F102 HydrophobicContact CD1-CZ 4.41Å; F97-F102 HydrophobicContact CG-CZ 4.47Å; T100-F102 HydrophobicContact CG2-CD1 4.33Å; T100-F102 HydrophobicContact CG2-CE1 4.15Å; T100-F102 HydrophobicContact CG2-CZ 4.3Å; T100-F102 WeakPolarHBondContact O-CD2 3.46Å
103G97.6Very high93.2Very high28 Ų2873 Ų7329%0.28939%0.389SS..EExtended strand (participates in β ladder)trans135.8-166.5175.700000112.8V22V22-G103 PolarHBondContact N-O 3.3Å; V22-G103 PolarHBondContact O-N 2.92Å
104V96.8Very high93.3Very high71 Ų7168.6 Ų68.643%0.4337%0.369SS..EExtended strand (participates in β ladder)trans-128.6152-177-64.70000110.6Q19 L20 T21Q19-V104 HydrophobicContact CB-CB 4.2Å; L20-V104 CarbonylContact O-C 3.52Å; L20-V104 VanDerWaalsContact O-CA 3.26Å; L20-V104 WeakPolarHBondContact O-CA 3.47Å; T21-V104 HydrophobicContact CG2-CG1 4.43Å
105F94.5Very high93.2Very high72 Ų7276.7 Ų76.732%0.31641%0.407SS..EExtended strand (participates in β ladder)trans-141.9157175.469.8-80.4000112L20 V22 V37L20-F105 HydrophobicContact CB-CD1 3.87Å; L20-F105 HydrophobicContact CB-CD2 4.3Å; L20-F105 HydrophobicContact CB-CE1 3.46Å; L20-F105 VanDerWaalsContact CB-CE1 3.46Å; L20-F105 HydrophobicContact CB-CE2 3.94Å; L20-F105 HydrophobicContact CB-CG 4.28Å; L20-F105 HydrophobicContact CB-CZ 3.5Å; L20-F105 HydrophobicContact CD1-CD2 4.15Å; L20-F105 HydrophobicContact CD1-CE1 4.34Å; L20-F105 HydrophobicContact CD1-CE2 3.37Å; L20-F105 HydrophobicContact CD1-CZ 3.48Å; L20-F105 VanDerWaalsContact CD1-CZ 3.48Å; L20-F105 HydrophobicContact CG-CE2 4.26Å; L20-F105 HydrophobicContact CG-CZ 4.13Å; L20-F105 PolarHBondContact N-O 2.91Å; L20-F105 VanDerWaalsContact O-CD1 3.26Å; L20-F105 WeakPolarHBondContact O-CD1 3.4Å; L20-F105 PolarHBondContact O-N 2.89Å; V22-F105 HydrophobicContact CG2-CD1 3.71Å; V22-F105 HydrophobicContact CG2-CE1 3.68Å; V37-F105 HydrophobicContact CG1-CE1 4.11Å; V37-F105 HydrophobicContact CG1-CZ 4.19Å; V37-F105 HydrophobicContact CG2-CE1 4.21Å; V37-F105 HydrophobicContact CG2-CZ 4.37Å
106T93.2Very high92.7Very high75 Ų7577.3 Ų77.346%0.4641%0.414SS..  trans-105.4141.5169.9-57.60000108.6D108T106-D108 PolarHBondContact O-N 2.92Å
107L92.5Very high91.3Very high26 Ų2681.5 Ų81.514%0.13642%0.424CS..  trans-79.899.2173.9-177.564.8000109.7V15 P16 L20 L43 F46 I110 L134V15-L107 WeakPolarHBondContact CG1-O 3.45Å; P16-L107 HydrophobicContact CG-CD2 4.5Å; L20-L107 HydrophobicContact CD1-CB 4.39Å; L43-L107 HydrophobicContact CD1-CD2 4.28Å; F46-L107 HydrophobicContact CD1-CD2 3.87Å; F46-L107 HydrophobicContact CD2-CD2 4.45Å; F46-L107 HydrophobicContact CE1-CD2 3.76Å; F46-L107 HydrophobicContact CE2-CD2 4.34Å; F46-L107 HydrophobicContact CG-CD2 4.23Å; F46-L107 HydrophobicContact CZ-CD2 4.01Å; L107-I110 HydrophobicContact CD1-CG2 4.46Å; L107-L134 HydrophobicContact CD1-CD1 4.32Å; L107-L134 HydrophobicContact CD2-CD1 3.97Å; L107-L134 HydrophobicContact CG-CD1 3.71Å
108D90Very high89.6Confident101 Ų10185.1 Ų85.154%0.5444%0.441SS..  trans-105.1-18.2-176.463.725.5000114.3T106 L134T106-D108 PolarHBondContact O-N 2.92Å; D108-L134 PolarHBondContact O-N 3.45Å
109S91.2Very high88.2Confident21 Ų2184.5 Ų84.515%0.14744%0.435CS..EExtended strand (participates in β ladder)trans-160.7152.8-17355.60000111.7Y111 L132S109-Y111 WeakPolarHBondContact OG-CE2 3.49Å; S109-L132 CarbonylContact C-O 3.54Å; S109-L132 WeakPolarHBondContact CA-O 3.44Å; S109-L132 WeakPolarHBondContact CB-O 3.4Å
110I92.6Very high86.6Confident29 Ų2981.3 Ų81.315%0.14942%0.418CS..EExtended strand (participates in β ladder)trans-126.5143.4171.158.1172.2000109.7L4 L11 F46 L50 L107 N131 L132 L134L4-I110 HydrophobicContact CD2-CD1 4.34Å; L11-I110 HydrophobicContact CD1-CD1 4.3Å; F46-I110 HydrophobicContact CE1-CG2 4.23Å; F46-I110 HydrophobicContact CZ-CG2 4.14Å; L50-I110 HydrophobicContact CD1-CD1 4.42Å; L107-I110 HydrophobicContact CD1-CG2 4.46Å; I110-N131 CarbonylContact O-C 3.58Å; I110-N131 VanDerWaalsContact O-CA 3.24Å; I110-N131 WeakPolarHBondContact O-CA 3.42Å; I110-L132 HydrophobicContact CD1-CB 4.3Å; I110-L132 HydrophobicContact CD1-CD2 4.11Å; I110-L132 HydrophobicContact CG1-CB 3.77Å; I110-L132 HydrophobicContact CG1-CD2 4.32Å; I110-L132 HydrophobicContact CG1-CG 4.45Å; I110-L132 PolarHBondContact N-O 3.39Å; I110-L132 PolarHBondContact O-N 3.34Å; I110-L134 HydrophobicContact CG2-CD1 3.92Å
111Y92Very high84.5Confident106 Ų10686 Ų8642%0.41644%0.441SS..EExtended strand (participates in β ladder)trans-120.7132.6-179.4-63.7-102.9000109.1S109 C113 F125 T128 N131S109-Y111 WeakPolarHBondContact OG-CE2 3.49Å; Y111-C113 VanDerWaalsContact CB-SG 3.6Å; Y111-F125 HydrophobicContact CD1-CE1 4.27Å; Y111-F125 HydrophobicContact CG-CE1 4.43Å; Y111-F125 HydrophobicContact CG-CZ 4.41Å; Y111-T128 HydrophobicContact CD1-CG2 3.87Å; Y111-N131 HydrophobicContact CD1-CB 3.58Å; Y111-N131 HydrophobicContact CE1-CB 3.71Å; Y111-N131 HydrophobicContact CG-CB 4.16Å
112L91.6Very high82.8Confident75 Ų7588.9 Ų88.939%0.39346%0.461SS..EExtended strand (participates in β ladder)trans-89.3108.8165.1176.964.7000107.8L4 I129 G130L4-L112 HydrophobicContact CD1-CB 3.82Å; L4-L112 HydrophobicContact CD1-CD2 3.8Å; L4-L112 HydrophobicContact CD1-CG 4.39Å; L112-I129 HydrophobicContact CD2-CB 4.12Å; L112-I129 HydrophobicContact CD2-CD1 4.45Å; L112-I129 HydrophobicContact CD2-CG2 3.98Å; L112-I129 HydrophobicContact CG-CB 4.11Å; L112-I129 HydrophobicContact CG-CD1 4.25Å; L112-I129 WeakPolarHBondContact O-CB 3.06Å; L112-I129 PolarHBondContact O-N 2.9Å; L112-G130 PolarHBondContact N-O 3.03Å; L112-G130 PolarHBondContact O-N 3.34Å
113C91.1Very high81.5Confident39 Ų3987.6 Ų87.626%0.26447%0.474SS..EExtended strand (participates in β ladder)trans-112.1144.9-176.5-58.30000112.1Y111 Y126 R127Y111-C113 VanDerWaalsContact CB-SG 3.6Å; C113-Y126 HydrophobicContact CB-CG 4.46Å; C113-R127 CarbonylContact C-O 3.6Å; C113-R127 WeakPolarHBondContact CA-O 3.32Å
114A89.4Confident80.8Confident18 Ų1889.2 Ų89.215%0.14949%0.491CS..EExtended strand (participates in β ladder)trans-79.7129170.600000110.3R127 I129A114-R127 HydrophobicContact CB-CB 4.35Å; A114-R127 HydrophobicContact CB-CG 4.47Å; A114-R127 PolarHBondContact N-O 3.4Å; A114-I129 HydrophobicContact CB-CD1 4.05Å; A114-I129 HydrophobicContact CB-CG1 4.3Å
115M87.7Confident80.4Confident186 Ų18691 Ų9192%0.91649%0.493SS*.EExtended strand (participates in β ladder)trans-79.1126.5167.7-68.5-175.7-77.100109.6
116G79.3Confident80.1Confident52 Ų5293.2 Ų93.254%0.53650%0.5SS..EExtended strand (participates in β ladder)trans168.3179.718000000112.5H118G116-H118 VanDerWaalsContact C-N 3.31Å
117R63.5Low79.9Confident240 Ų24095.2 Ų95.291%0.90650%0.499SS*.EExtended strand (participates in β ladder)trans-78-16.2-179-67.5-171.3179.4-164.72114H119R117-H119 PolarHBondContact O-N 3.44Å
118H59.9Low79.8Confident146 Ų14696.2 Ų96.268%0.67651%0.506SS*.EExtended strand (participates in β ladder)trans-84.791.9176.8-64-77.2000107.9G116G116-H118 VanDerWaalsContact C-N 3.31Å
119H64.3Low79.8Confident90 Ų9096 Ų9642%0.41750%0.504SS..EExtended strand (participates in β ladder)trans-66.6138.1151.8-69.9-78.2000106.7R117 D121 F125R117-H119 PolarHBondContact O-N 3.44Å; H119-D121 PolarHBondContact O-N 2.85Å; H119-D121 VanDerWaalsContact O-N 3.09Å; H119-F125 PolarHBondContact ND1-O 3.2Å
120D59.4Low79.6Confident69 Ų6995.3 Ų95.337%0.36950%0.5SS..  trans-65.6113.5166.1-66.3-19.1000105.9R127 T128D120-R127 VanDerWaalsContact OD1-CB 3.29Å; D120-R127 WeakPolarHBondContact OD1-CB 3.29Å; D120-R127 WeakPolarHBondContact OD1-CD 3.39Å; D120-R127 WeakPolarHBondContact OD1-CG 3.26Å; D120-R127 WeakPolarHBondContact OD2-CA 3.28Å; D120-R127 WeakPolarHBondContact OD2-CG 3.4Å; D120-T128 PolarHBondContact OD2-N 3.17Å
121D53.6Low79.6Confident146 Ų14697.5 Ų97.578%0.78151%0.513SS*.THydrogen-bonded Turntrans22.3118149.1-41.1-6.4000115.5H119 G123H119-D121 PolarHBondContact O-N 2.85Å; H119-D121 VanDerWaalsContact O-N 3.09Å; D121-G123 PolarHBondContact O-N 2.82Å
122D61.8Low79.4Confident184 Ų18493 Ų9398%0.98450%0.496SS*.THydrogen-bonded Turntrans56.2-26172.2-63.6-18.8000120.4
123G68.9Low79.3Confident66 Ų6694.7 Ų94.768%0.6850%0.501SS*.SBendtrans-88.2-12.8-17100000116.2D121 F125D121-G123 PolarHBondContact O-N 2.82Å; G123-F125 PolarHBondContact O-N 2.95Å; G123-F125 VanDerWaalsContact O-N 3.14Å
124G83.1Confident79Confident62 Ų6293.4 Ų93.464%0.63949%0.491SS*.  trans69.22.4-176.200000115.1
125F88.6Confident78.2Confident109 Ų10997.2 Ų97.248%0.47851%0.513SS..PPolyproline II helixtrans-82164.8176.3-164.9-114.9000111.8Y111 H119 G123Y111-F125 HydrophobicContact CD1-CE1 4.27Å; Y111-F125 HydrophobicContact CG-CE1 4.43Å; Y111-F125 HydrophobicContact CG-CZ 4.41Å; H119-F125 PolarHBondContact ND1-O 3.2Å; G123-F125 PolarHBondContact O-N 2.95Å; G123-F125 VanDerWaalsContact O-N 3.14Å
126Y88.5Confident76.9Confident117 Ų11789.3 Ų89.346%0.45947%0.474SS..EExtended strand (participates in β ladder)trans-71.3150.8175.4-68.6-86.6000111C113 T128C113-Y126 HydrophobicContact CB-CG 4.46Å; Y126-T128 PolarHBondContact O-N 3.38Å; Y126-T128 VanDerWaalsContact O-N 3.15Å; Y126-T128 PolarHBondContact O-OG1 3.12Å
127R88.7Confident75.6Confident117 Ų11791.1 Ų91.144%0.44248%0.476SS..EExtended strand (participates in β ladder)trans-59.4119.9173.3174.9172.892.7174.88.2111.5C113 A114 D120C113-R127 CarbonylContact C-O 3.6Å; C113-R127 WeakPolarHBondContact CA-O 3.32Å; A114-R127 HydrophobicContact CB-CB 4.35Å; A114-R127 HydrophobicContact CB-CG 4.47Å; A114-R127 PolarHBondContact N-O 3.4Å; D120-R127 VanDerWaalsContact OD1-CB 3.29Å; D120-R127 WeakPolarHBondContact OD1-CB 3.29Å; D120-R127 WeakPolarHBondContact OD1-CD 3.39Å; D120-R127 WeakPolarHBondContact OD1-CG 3.26Å; D120-R127 WeakPolarHBondContact OD2-CA 3.28Å; D120-R127 WeakPolarHBondContact OD2-CG 3.4Å
128T90.1Very high75.3Confident48 Ų4886.3 Ų86.329%0.29447%0.467SS..EExtended strand (participates in β ladder)trans-93.8121.3-175.1-63.50000110.8Y111 D120 Y126Y111-T128 HydrophobicContact CD1-CG2 3.87Å; D120-T128 PolarHBondContact OD2-N 3.17Å; Y126-T128 PolarHBondContact O-N 3.38Å; Y126-T128 VanDerWaalsContact O-N 3.15Å; Y126-T128 PolarHBondContact O-OG1 3.12Å
129I89.9Confident74.9Confident95 Ų9583.9 Ų83.949%0.48747%0.467SS..EExtended strand (participates in β ladder)trans-84.9-34.3174.8-59.4169.5000110.4L112 A114L112-I129 HydrophobicContact CD2-CB 4.12Å; L112-I129 HydrophobicContact CD2-CD1 4.45Å; L112-I129 HydrophobicContact CD2-CG2 3.98Å; L112-I129 HydrophobicContact CG-CB 4.11Å; L112-I129 HydrophobicContact CG-CD1 4.25Å; L112-I129 WeakPolarHBondContact O-CB 3.06Å; L112-I129 PolarHBondContact O-N 2.9Å; A114-I129 HydrophobicContact CB-CD1 4.05Å; A114-I129 HydrophobicContact CB-CG1 4.3Å
130G88.4Confident73.6Confident7 Ų791.9 Ų91.97%0.07250%0.5CS..EExtended strand (participates in β ladder)trans-173.2165177.500000110.7L112L112-G130 PolarHBondContact N-O 3.03Å; L112-G130 PolarHBondContact O-N 3.34Å
131N90.7Very high74.4Confident76 Ų7693.1 Ų93.141%0.40651%0.507SS..EExtended strand (participates in β ladder)trans-138.3164.1176.465.968.1000110.3I110 Y111I110-N131 CarbonylContact O-C 3.58Å; I110-N131 VanDerWaalsContact O-CA 3.24Å; I110-N131 WeakPolarHBondContact O-CA 3.42Å; Y111-N131 HydrophobicContact CD1-CB 3.58Å; Y111-N131 HydrophobicContact CE1-CB 3.71Å; Y111-N131 HydrophobicContact CG-CB 4.16Å
132L88.9Confident75.4Confident12 Ų1290.3 Ų90.36%0.06349%0.492CS..EExtended strand (participates in β ladder)trans-135127170.6172.665.6000108.5E8 S109 I110 L134E8-L132 HydrophobicContact CB-CD1 3.65Å; E8-L132 HydrophobicContact CB-CD2 3.94Å; E8-L132 HydrophobicContact CB-CG 4.45Å; E8-L132 HydrophobicContact CG-CD1 3.5Å; E8-L132 HydrophobicContact CG-CD2 4.33Å; E8-L132 HydrophobicContact CG-CG 4.48Å; S109-L132 CarbonylContact C-O 3.54Å; S109-L132 WeakPolarHBondContact CA-O 3.44Å; S109-L132 WeakPolarHBondContact CB-O 3.4Å; I110-L132 HydrophobicContact CD1-CB 4.3Å; I110-L132 HydrophobicContact CD1-CD2 4.11Å; I110-L132 HydrophobicContact CG1-CB 3.77Å; I110-L132 HydrophobicContact CG1-CD2 4.32Å; I110-L132 HydrophobicContact CG1-CG 4.45Å; I110-L132 PolarHBondContact N-O 3.39Å; I110-L132 PolarHBondContact O-N 3.34Å; L132-L134 HydrophobicContact CD2-CD2 3.69Å; L132-L134 HydrophobicContact CG-CD2 4.07Å
133H88.5Confident76.2Confident110 Ų11085.1 Ų85.151%0.50947%0.465SS..EExtended strand (participates in β ladder)trans-84.3122.4168.3-68.3-74.4000109.6V135H133-V135 PolarHBondContact O-N 3.29Å
134L86.7Confident76.6Confident11 Ų1186.2 Ų86.26%0.05845%0.453CS..  trans-90.285-178.1-61.9173.3000108.7V15 F46 L107 D108 I110 L132 N136V15-L134 HydrophobicContact CG1-CB 4.35Å; V15-L134 HydrophobicContact CG2-CB 3.91Å; V15-L134 HydrophobicContact CG2-CD1 4.18Å; V15-L134 HydrophobicContact CG2-CD2 4.06Å; V15-L134 HydrophobicContact CG2-CG 4.27Å; F46-L134 HydrophobicContact CE2-CD1 4.08Å; F46-L134 HydrophobicContact CE2-CD2 4.25Å; F46-L134 HydrophobicContact CZ-CD1 3.78Å; F46-L134 HydrophobicContact CZ-CD2 4.31Å; L107-L134 HydrophobicContact CD1-CD1 4.32Å; L107-L134 HydrophobicContact CD2-CD1 3.97Å; L107-L134 HydrophobicContact CG-CD1 3.71Å; D108-L134 PolarHBondContact O-N 3.45Å; I110-L134 HydrophobicContact CG2-CD1 3.92Å; L132-L134 HydrophobicContact CD2-CD2 3.69Å; L132-L134 HydrophobicContact CG-CD2 4.07Å; L134-N136 PolarHBondContact O-N 2.8Å
135V71.3Confident76.2Confident98 Ų9887.7 Ų87.759%0.59444%0.441SS*.  trans-78.2107.6171.6-175.40000107.6H133 P137H133-V135 PolarHBondContact O-N 3.29Å; V135-P137 VanDerWaalsContact O-CD 3.24Å; V135-P137 WeakPolarHBondContact O-CD 3.39Å
136N61.1Low75.4Confident21 Ų2186.3 Ų86.311%0.11244%0.438CS..  trans-65.2119.2170.1-174.5-15.3000108.6T17 L134 I138 S139T17-N136 WeakPolarHBondContact CG2-ND2 3.4Å; L134-N136 PolarHBondContact O-N 2.8Å; N136-I138 PolarHBondContact O-N 3.12Å; N136-I138 WeakPolarHBondContact OD1-CB 3.33Å; N136-I138 PolarHBondContact OD1-N 3.4Å; N136-I138 VanDerWaalsContact OD1-N 3.08Å; N136-S139 WeakPolarHBondContact CB-OG 3.35Å; N136-S139 PolarHBondContact O-N 3.47Å; N136-S139 PolarHBondContact O-OG 3.28Å
137P52.7Low74.5Confident89 Ų8984.1 Ų84.158%0.57844%0.437SS*.THydrogen-bonded Turntrans-61.6-17-178.1-22.734.4000113.9C12 V135C12-P137 HydrophobicContact CB-CG 4.49Å; V135-P137 VanDerWaalsContact O-CD 3.24Å; V135-P137 WeakPolarHBondContact O-CD 3.39Å
138I56.1Low73.4Confident140 Ų14081.5 Ų81.572%0.71844%0.437SS*.THydrogen-bonded Turntrans-88.7-6.8-174.6-51173.2000111.4N136 K140N136-I138 PolarHBondContact O-N 3.12Å; N136-I138 WeakPolarHBondContact OD1-CB 3.33Å; N136-I138 PolarHBondContact OD1-N 3.4Å; N136-I138 VanDerWaalsContact OD1-N 3.08Å; I138-K140 VanDerWaalsContact C-N 3.31Å; I138-K140 PolarHBondContact O-N 3.31Å
139S52Low72Confident94 Ų9484.3 Ų84.366%0.65745%0.448SS*.  trans-88.419.5-178.6-440000114.7N136N136-S139 WeakPolarHBondContact CB-OG 3.35Å; N136-S139 PolarHBondContact O-N 3.47Å; N136-S139 PolarHBondContact O-OG 3.28Å
140K37.6Very low70.4Confident259 Ų25983.4 Ų83.4100%1.12645%0.445SS*.  trans-121.90172.9-80.2-169178.5-177.40111.3I138I138-K140 VanDerWaalsContact C-N 3.31Å; I138-K140 PolarHBondContact O-N 3.31Å

Retrieved 140 of 140 residues in 41.8 ms (Link to these results)

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