Q99PU6_RAT Loading...

Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, mitochondrial

AlphaFold DB , UniProt , Accession Q99PU6, Species RAT (Rattus norvegicus, Rat), Gene Dbt, Length 186 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
1I74.2Confident88Confident152 Ų15281.5 Ų81.578%0.77937%0.366SS*.  0125.70-61.5159.7000105.9E3 V4 V56I1-E3 WeakPolarHBondContact CG2-O 3.37Å; I1-V4 HydrophobicContact CG2-CG1 3.83Å; I1-V56 HydrophobicContact CG2-CG2 4.46Å; I1-V56 WeakPolarHBondContact O-CG2 3.35Å
2R82.4Confident88.1Confident219 Ų21988.3 Ų88.383%0.82640%0.395SS*.  trans-102.9-30.3-175.6-66-178.785.3152.32.5112.5V56R2-V56 PolarHBondContact O-N 2.76Å
3E86.9Confident88.2Confident109 Ų10990.8 Ų90.851%0.50941%0.408SS..EExtended strand (participates in β ladder)trans-138.2148.9-178.263.8-162.2-179.400110.3I1 I53 A54 Y55I1-E3 WeakPolarHBondContact CG2-O 3.37Å; E3-I53 HydrophobicContact CB-CG2 3.99Å; E3-A54 WeakPolarHBondContact CA-O 3.46Å; E3-Y55 HydrophobicContact CB-CD1 4.28Å; E3-Y55 HydrophobicContact CB-CE1 4.24Å
4V90.3Very high88.2Confident23 Ų2388.2 Ų88.214%0.13942%0.419CS..EExtended strand (participates in β ladder)trans-138.2144175.6-63.60000109I1 V26 A54I1-V4 HydrophobicContact CG2-CG1 3.83Å; V4-V26 HydrophobicContact CB-CB 4.17Å; V4-V26 HydrophobicContact CB-CG2 4.36Å; V4-V26 HydrophobicContact CG2-CB 4.22Å; V4-V26 HydrophobicContact CG2-CG1 4.36Å; V4-V26 HydrophobicContact CG2-CG2 4.41Å; V4-A54 HydrophobicContact CG2-CB 4.21Å; V4-A54 PolarHBondContact N-O 3.2Å; V4-A54 PolarHBondContact O-N 3.13Å
5T91.4Very high88.2Confident53 Ų5387.5 Ų87.533%0.32542%0.419SS..EExtended strand (participates in β ladder)trans-103.6134.9177.3-540000109.3K7 V26 Q27 D52T5-K7 PolarHBondContact O-N 3.46Å; T5-V26 CarbonylContact O-C 3.43Å; T5-V26 WeakPolarHBondContact O-CA 3.41Å; T5-Q27 PolarHBondContact N-O 3.26Å; T5-Q27 PolarHBondContact O-N 3.13Å; T5-D52 WeakPolarHBondContact CA-O 3.48Å
6I91.9Very high88.2Confident0 Ų087.9 Ų87.90%043%0.429CS..EExtended strand (participates in β ladder)trans-80.8120.1178.3-58.2133000109.3W9 C24 V26 Y48 D51 D52 A54I6-W9 HydrophobicContact CD1-CZ2 4.05Å; I6-W9 HydrophobicContact CG1-CZ2 4.39Å; I6-W9 HydrophobicContact CG2-CD2 4.34Å; I6-W9 HydrophobicContact CG2-CG 4.29Å; I6-W9 HydrophobicContact CG2-CZ2 4.34Å; I6-C24 HydrophobicContact CG2-CB 4.24Å; I6-V26 HydrophobicContact CG1-CG1 3.99Å; I6-Y48 HydrophobicContact CD1-CG 4.01Å; I6-D51 VanDerWaalsContact O-CA 3.3Å; I6-D51 WeakPolarHBondContact O-CA 3.27Å; I6-D51 PolarHBondContact O-N 3.44Å; I6-D52 HydrophobicContact CD1-CB 4.41Å; I6-D52 PolarHBondContact N-O 3.26Å; I6-D52 VanDerWaalsContact N-O 3.07Å; I6-A54 HydrophobicContact CD1-CB 4.39Å
7K92.3Very high88.3Confident99 Ų9982.8 Ų82.843%0.4340%0.404SS..EExtended strand (participates in β ladder)trans-90-43.5-178.7-178.3-179.8159.3-147.90111.6T5 E25T5-K7 PolarHBondContact O-N 3.46Å; K7-E25 PolarHBondContact N-O 3.02Å; K7-E25 VanDerWaalsContact NZ-CD 3.35Å; K7-E25 IonicContact NZ-OE1 2.89Å; K7-E25 PolarHBondContact NZ-OE1 3.3Å; K7-E25 IonicContact NZ-OE2 3.07Å; K7-E25 PolarHBondContact NZ-OE2 2.93Å; K7-E25 VanDerWaalsContact NZ-OE2 3.07Å
8E90.5Very high88.4Confident87 Ų8781.9 Ų81.941%0.40741%0.407SS..EExtended strand (participates in β ladder)trans-148.8142.1-178.7-170.6168-142.400111.4Y10 C24 E25E8-Y10 HydrophobicContact CG-CE1 4.1Å; E8-Y10 WeakPolarHBondContact OE2-CE1 3.21Å; E8-Y10 VanDerWaalsContact OE2-CZ 3.24Å; E8-Y10 PolarHBondContact OE2-OH 2.96Å; E8-C24 CarbonylContact O-C 3.54Å; E8-C24 WeakPolarHBondContact O-CA 3.17Å; E8-C24 VanDerWaalsContact O-CB 3.28Å; E8-C24 WeakPolarHBondContact O-CB 3.34Å; E8-E25 HydrophobicContact CB-CB 4.48Å; E8-E25 PolarHBondContact N-O 3.26Å; E8-E25 PolarHBondContact O-N 2.8Å
9W90.8Very high88.5Confident34 Ų3482.3 Ų82.313%0.12941%0.408CS..EExtended strand (participates in β ladder)trans-108.5128.5171.8-76.9100.5000109.2I6 V11 I23 C24 L46 Y48 L50 I61I6-W9 HydrophobicContact CD1-CZ2 4.05Å; I6-W9 HydrophobicContact CG1-CZ2 4.39Å; I6-W9 HydrophobicContact CG2-CD2 4.34Å; I6-W9 HydrophobicContact CG2-CG 4.29Å; I6-W9 HydrophobicContact CG2-CZ2 4.34Å; W9-V11 HydrophobicContact CE3-CG2 4.05Å; W9-V11 HydrophobicContact CZ3-CG2 4.4Å; W9-I23 HydrophobicContact CE3-CG2 4.16Å; W9-I23 HydrophobicContact CZ3-CG2 3.69Å; W9-C24 HydrophobicContact CD2-CB 3.88Å; W9-C24 HydrophobicContact CE3-CB 3.63Å; W9-C24 HydrophobicContact CG-CB 4.44Å; W9-C24 HydrophobicContact CH2-CB 4.44Å; W9-C24 HydrophobicContact CZ3-CB 3.94Å; W9-L46 HydrophobicContact CD2-CD2 3.67Å; W9-L46 HydrophobicContact CE3-CD2 3.57Å; W9-L46 HydrophobicContact CE3-CG 4.43Å; W9-L46 HydrophobicContact CG-CD2 4.32Å; W9-L46 HydrophobicContact CH2-CD2 4.01Å; W9-L46 HydrophobicContact CH2-CG 4.25Å; W9-L46 HydrophobicContact CZ2-CD2 4.09Å; W9-L46 HydrophobicContact CZ3-CD2 3.74Å; W9-L46 HydrophobicContact CZ3-CG 4.14Å; W9-Y48 WeakPolarHBondContact CZ2-O 3.3Å; W9-Y48 PolarHBondContact NE1-O 3.36Å; W9-L50 HydrophobicContact CB-CD2 4.27Å; W9-L50 HydrophobicContact CG-CD2 4.3Å; W9-I61 HydrophobicContact CH2-CG2 3.99Å; W9-I61 HydrophobicContact CZ3-CG2 3.94Å
10Y89.7Confident88.6Confident114 Ų11485.9 Ų85.945%0.44742%0.421SS..SBendtrans-96.1-8.4175.4-63.3-67.6000112.8E8 S22 I23 E25E8-Y10 HydrophobicContact CG-CE1 4.1Å; E8-Y10 WeakPolarHBondContact OE2-CE1 3.21Å; E8-Y10 VanDerWaalsContact OE2-CZ 3.24Å; E8-Y10 PolarHBondContact OE2-OH 2.96Å; Y10-S22 WeakPolarHBondContact CB-O 3.35Å; Y10-I23 PolarHBondContact N-O 2.82Å; Y10-E25 HydrophobicContact CE2-CB 4.36Å
11V87.8Confident88.8Confident6 Ų685.1 Ų85.14%0.03642%0.419CS..  trans-130.2158.5-173.3-58.30000111.4W9 V17 I23 I43W9-V11 HydrophobicContact CE3-CG2 4.05Å; W9-V11 HydrophobicContact CZ3-CG2 4.4Å; V11-V17 HydrophobicContact CB-CG1 4.26Å; V11-V17 HydrophobicContact CG1-CG1 3.64Å; V11-I23 HydrophobicContact CG2-CB 4.28Å; V11-I23 HydrophobicContact CG2-CG2 3.51Å; V11-I43 HydrophobicContact CB-CD1 3.36Å; V11-I43 HydrophobicContact CG1-CD1 4.16Å; V11-I43 HydrophobicContact CG2-CD1 3.32Å
12K89Confident89.6Confident164 Ų16480.1 Ų80.171%0.71340%0.397SS*.  trans-128.3164.6-178.6-63.4-176.1-177.4-176.30111.9G14 D15 I43K12-G14 PolarHBondContact O-N 3.28Å; K12-D15 VanDerWaalsContact O-CB 3.23Å; K12-D15 WeakPolarHBondContact O-CB 3.39Å; K12-D15 PolarHBondContact O-N 3.45Å; K12-D15 VanDerWaalsContact O-N 3.07Å; K12-I43 WeakPolarHBondContact O-CD1 3.29Å
13E89.9Confident90Very high120 Ų12069.9 Ų69.956%0.56136%0.359SS*.THydrogen-bonded Turntrans-58.6129.4172-58.4-170.2146.900110D15 L46E13-D15 VanDerWaalsContact C-N 3.34Å; E13-L46 HydrophobicContact CB-CD1 4.3Å; E13-L46 HydrophobicContact CG-CB 4.25Å; E13-L46 HydrophobicContact CG-CD1 3.44Å; E13-L46 VanDerWaalsContact CG-CD1 3.44Å; E13-L46 HydrophobicContact CG-CG 4.39Å; E13-L46 PolarHBondContact OE1-N 2.87Å
14G87.1Confident90.2Very high55 Ų5564.7 Ų64.757%0.56734%0.335SS*.THydrogen-bonded Turntrans84.7-0-176.500000115.1K12 I43K12-G14 PolarHBondContact O-N 3.28Å; G14-I43 WeakPolarHBondContact CA-O 3.39Å; G14-I43 PolarHBondContact N-O 3.46Å
15D88.8Confident90.2Very high77 Ų7765 Ų6541%0.41234%0.335SS..  trans-80.6148.8177.4-154.96.3000111.7K12 E13 V42 I43K12-D15 VanDerWaalsContact O-CB 3.23Å; K12-D15 WeakPolarHBondContact O-CB 3.39Å; K12-D15 PolarHBondContact O-N 3.45Å; K12-D15 VanDerWaalsContact O-N 3.07Å; E13-D15 VanDerWaalsContact C-N 3.34Å; D15-V42 WeakPolarHBondContact O-CA 3.31Å; D15-I43 HydrophobicContact CB-CD1 4.4Å; D15-I43 PolarHBondContact O-N 2.87Å
16T88.2Confident90.3Very high95 Ų9562.8 Ų62.858%0.58332%0.322SS*.EExtended strand (participates in β ladder)trans-95117.6179.7-56.70000109.3
17V90.3Very high90.2Very high1 Ų167.6 Ų67.61%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-106.6145178.8-66.10000111.4V11 D40 G41 I43 I63V11-V17 HydrophobicContact CB-CG1 4.26Å; V11-V17 HydrophobicContact CG1-CG1 3.64Å; V17-D40 WeakPolarHBondContact O-CA 3.3Å; V17-G41 WeakPolarHBondContact CG2-O 3.37Å; V17-G41 PolarHBondContact N-O 2.81Å; V17-G41 PolarHBondContact O-N 3.4Å; V17-I43 HydrophobicContact CG1-CD1 3.64Å; V17-I43 HydrophobicContact CG1-CG1 4.05Å; V17-I43 HydrophobicContact CG2-CG1 4.2Å; V17-I63 HydrophobicContact CG2-CD1 4.2Å; V17-I63 HydrophobicContact CG2-CG2 4.14Å
18S89.6Confident90.2Very high66 Ų6663.5 Ų63.546%0.46233%0.328SS..  trans-101.1164.8174-52.80000111.4D21 S37 D40S18-D21 WeakPolarHBondContact O-CB 3.44Å; S18-D21 PolarHBondContact O-N 3.43Å; S18-D21 VanDerWaalsContact O-N 3.12Å; S18-S37 WeakPolarHBondContact O-CB 3.47Å; S18-D40 VanDerWaalsContact CA-OD1 3.26Å; S18-D40 WeakPolarHBondContact CA-OD1 3.37Å
19Q90.6Very high90Very high90 Ų9066.8 Ų66.842%0.42135%0.348SS..THydrogen-bonded Turntrans-58.1140.2170.8-171.717771.100110.6D21 R38 D40Q19-D21 PolarHBondContact O-N 2.81Å; Q19-R38 WeakPolarHBondContact CG-O 3.26Å; Q19-R38 PolarHBondContact NE2-O 3.39Å; Q19-D40 PolarHBondContact N-OD1 3.09Å
20F90.6Very high89.7Confident153 Ų15374.2 Ų74.267%0.67138%0.381SS*.THydrogen-bonded Turntrans67.64-174.6-51.7-73.5000115.4S37F20-S37 PolarHBondContact N-O 2.69Å
21D91.9Very high89.6Confident70 Ų7071.2 Ų71.237%0.37438%0.38SS..  trans-70.7144.9176.5-164.216.4000111.6S18 Q19 I23 T36 S37S18-D21 WeakPolarHBondContact O-CB 3.44Å; S18-D21 PolarHBondContact O-N 3.43Å; S18-D21 VanDerWaalsContact O-N 3.12Å; Q19-D21 PolarHBondContact O-N 2.81Å; D21-I23 PolarHBondContact O-N 3.37Å; D21-T36 CarbonylContact O-C 3.52Å; D21-T36 WeakPolarHBondContact O-CA 3.28Å; D21-S37 PolarHBondContact O-N 2.85Å
22S91.8Very high89.7Confident47 Ų4774 Ų7433%0.32940%0.4SS..EExtended strand (participates in β ladder)trans-82.9117.3-177.6-630000109.9Y10Y10-S22 WeakPolarHBondContact CB-O 3.35Å
23I91.2Very high89.8Confident4 Ų469.9 Ų69.92%0.02139%0.388CS..EExtended strand (participates in β ladder)trans-90.6-54.6-174.7-60.3178.4000109.9W9 Y10 V11 D21 I35 I61 I63W9-I23 HydrophobicContact CE3-CG2 4.16Å; W9-I23 HydrophobicContact CZ3-CG2 3.69Å; Y10-I23 PolarHBondContact N-O 2.82Å; V11-I23 HydrophobicContact CG2-CB 4.28Å; V11-I23 HydrophobicContact CG2-CG2 3.51Å; D21-I23 PolarHBondContact O-N 3.37Å; I23-I35 PolarHBondContact N-O 3.23Å; I23-I61 HydrophobicContact CB-CD1 4.39Å; I23-I61 HydrophobicContact CD1-CD1 3.49Å; I23-I61 VanDerWaalsContact CD1-CD1 3.49Å; I23-I61 HydrophobicContact CG1-CD1 4.41Å; I23-I61 HydrophobicContact CG2-CD1 3.38Å; I23-I61 HydrophobicContact CG2-CG1 4.5Å; I23-I63 HydrophobicContact CD1-CD1 4.11Å
24C89.8Confident89.9Confident1 Ų167.5 Ų67.51%0.00738%0.382CS..EExtended strand (participates in β ladder)trans-152.2153.2-179.360.50000111.9I6 E8 W9 I35I6-C24 HydrophobicContact CG2-CB 4.24Å; E8-C24 CarbonylContact O-C 3.54Å; E8-C24 WeakPolarHBondContact O-CA 3.17Å; E8-C24 VanDerWaalsContact O-CB 3.28Å; E8-C24 WeakPolarHBondContact O-CB 3.34Å; W9-C24 HydrophobicContact CD2-CB 3.88Å; W9-C24 HydrophobicContact CE3-CB 3.63Å; W9-C24 HydrophobicContact CG-CB 4.44Å; W9-C24 HydrophobicContact CH2-CB 4.44Å; W9-C24 HydrophobicContact CZ3-CB 3.94Å; C24-I35 PolarHBondContact O-N 3.37Å
25E91.8Very high90Very high29 Ų2967.6 Ų67.614%0.13637%0.369CS..EExtended strand (participates in β ladder)trans-95.8121.9168.2-166.2-170.6162.300108.4K7 E8 Y10K7-E25 PolarHBondContact N-O 3.02Å; K7-E25 VanDerWaalsContact NZ-CD 3.35Å; K7-E25 IonicContact NZ-OE1 2.89Å; K7-E25 PolarHBondContact NZ-OE1 3.3Å; K7-E25 IonicContact NZ-OE2 3.07Å; K7-E25 PolarHBondContact NZ-OE2 2.93Å; K7-E25 VanDerWaalsContact NZ-OE2 3.07Å; E8-E25 HydrophobicContact CB-CB 4.48Å; E8-E25 PolarHBondContact N-O 3.26Å; E8-E25 PolarHBondContact O-N 2.8Å; Y10-E25 HydrophobicContact CE2-CB 4.36Å
26V91.9Very high90.1Very high7 Ų767.4 Ų67.44%0.04237%0.371CS..EExtended strand (participates in β ladder)trans-109.8139.6174.1-60.50000110.1V4 T5 I6 S32 V33 I35V4-V26 HydrophobicContact CB-CB 4.17Å; V4-V26 HydrophobicContact CB-CG2 4.36Å; V4-V26 HydrophobicContact CG2-CB 4.22Å; V4-V26 HydrophobicContact CG2-CG1 4.36Å; V4-V26 HydrophobicContact CG2-CG2 4.41Å; T5-V26 CarbonylContact O-C 3.43Å; T5-V26 WeakPolarHBondContact O-CA 3.41Å; I6-V26 HydrophobicContact CG1-CG1 3.99Å; V26-S32 WeakPolarHBondContact O-CA 3.26Å; V26-V33 HydrophobicContact CG2-CB 4.36Å; V26-V33 WeakPolarHBondContact CG2-O 3.3Å; V26-V33 PolarHBondContact N-O 2.93Å; V26-V33 PolarHBondContact O-N 3.45Å; V26-I35 HydrophobicContact CG1-CG1 4.26Å; V26-I35 HydrophobicContact CG2-CD1 4.14Å; V26-I35 HydrophobicContact CG2-CG1 4.05Å
27Q91.7Very high90.1Very high100 Ų10063 Ų6347%0.46734%0.344SS..EExtended strand (participates in β ladder)trans-108.1128.2174.4-170.9174.4-46.200109.5T5T5-Q27 PolarHBondContact N-O 3.26Å; T5-Q27 PolarHBondContact O-N 3.13Å
28S91.6Very high89.9Confident14 Ų1471.9 Ų71.910%0.09838%0.377CS..EExtended strand (participates in β ladder)trans-106.9168.3168.970.80000110K30 A31S28-K30 PolarHBondContact O-N 2.87Å; S28-A31 PolarHBondContact N-O 2.91Å; S28-A31 PolarHBondContact O-N 3.42Å; S28-A31 PolarHBondContact OG-N 3.44Å; S28-A31 PolarHBondContact OG-O 3.21Å
29D87.1Confident89.6Confident155 Ų15575 Ų7583%0.82938%0.38SS*.THydrogen-bonded Turntrans-46.9-28.4-179.9178.638000114.5
30K83.3Confident89.5Confident190 Ų19075.1 Ų75.183%0.82638%0.383SS*.THydrogen-bonded Turntrans-129-2.5-176.9-62.9-168.6179.3-177.10116.3S28S28-K30 PolarHBondContact O-N 2.87Å
31A87.4Confident89.4Confident51 Ų5168.3 Ų68.342%0.42136%0.357SS..EExtended strand (participates in β ladder)trans-162.2146.5-177.100000112S28S28-A31 PolarHBondContact N-O 2.91Å; S28-A31 PolarHBondContact O-N 3.42Å; S28-A31 PolarHBondContact OG-N 3.44Å; S28-A31 PolarHBondContact OG-O 3.21Å
32S89.9Confident89.4Confident64 Ų6468 Ų6845%0.44836%0.357SS..EExtended strand (participates in β ladder)trans-93.2136.2164.4-55.40000109.8V26V26-S32 WeakPolarHBondContact O-CA 3.26Å
33V91.4Very high89.3Confident78 Ų7865.9 Ų65.947%0.47334%0.342SS..EExtended strand (participates in β ladder)trans-132.5133.5179.5-179.60000108.5V26V26-V33 HydrophobicContact CG2-CB 4.36Å; V26-V33 WeakPolarHBondContact CG2-O 3.3Å; V26-V33 PolarHBondContact N-O 2.93Å; V26-V33 PolarHBondContact O-N 3.45Å
34T91.6Very high89.1Confident71 Ų7171.9 Ų71.944%0.43637%0.368SS..EExtended strand (participates in β ladder)trans-88.9124.7172.5-510000109.3
35I89.6Confident88.9Confident56 Ų5678.7 Ų78.729%0.28739%0.394SS..EExtended strand (participates in β ladder)trans-85.2121.8174.3-56.6-59.2000108.3I23 C24 V26I23-I35 PolarHBondContact N-O 3.23Å; C24-I35 PolarHBondContact O-N 3.37Å; V26-I35 HydrophobicContact CG1-CG1 4.26Å; V26-I35 HydrophobicContact CG2-CD1 4.14Å; V26-I35 HydrophobicContact CG2-CG1 4.05Å
36T91.6Very high88.7Confident73 Ų7378.8 Ų78.845%0.44840%0.395SS..EExtended strand (participates in β ladder)trans-104.2151175.356.40000111.7D21D21-T36 CarbonylContact O-C 3.52Å; D21-T36 WeakPolarHBondContact O-CA 3.28Å
37S88.2Confident88.5Confident3 Ų383.4 Ų83.42%0.02141%0.412CS..  trans-69.6139.6175.2-164.90000111.2S18 F20 D21 Y39S18-S37 WeakPolarHBondContact O-CB 3.47Å; F20-S37 PolarHBondContact N-O 2.69Å; D21-S37 PolarHBondContact O-N 2.85Å; S37-Y39 PolarHBondContact OG-N 3.18Å; S37-Y39 PolarHBondContact OG-O 3.03Å
38R85.4Confident88.4Confident188 Ų18880.1 Ų80.171%0.70940%0.396SS*.SBendtrans-89.9-17172.9-169.7172-173.9155.31.2112.9Q19Q19-R38 WeakPolarHBondContact CG-O 3.26Å; Q19-R38 PolarHBondContact NE2-O 3.39Å
39Y83.4Confident88.3Confident131 Ų13185.2 Ų85.251%0.51442%0.422SS..SBendtrans-142.1152-172.6-55.7-79.5000111.4S37 T65S37-Y39 PolarHBondContact OG-N 3.18Å; S37-Y39 PolarHBondContact OG-O 3.03Å; Y39-T65 HydrophobicContact CG-CG2 4.45Å
40D88.6Confident88.4Confident92 Ų9282.6 Ų82.649%0.49241%0.407SS..  trans-82.2127.8172.8-46.4-90.9000109.8V17 S18 Q19 T65V17-D40 WeakPolarHBondContact O-CA 3.3Å; S18-D40 VanDerWaalsContact CA-OD1 3.26Å; S18-D40 WeakPolarHBondContact CA-OD1 3.37Å; Q19-D40 PolarHBondContact N-OD1 3.09Å; D40-T65 WeakPolarHBondContact O-CB 3.49Å; D40-T65 VanDerWaalsContact O-CG2 3.26Å; D40-T65 WeakPolarHBondContact O-CG2 3.15Å
41G89.1Confident88.6Confident11 Ų1179.7 Ų79.711%0.11340%0.401CS..EExtended strand (participates in β ladder)trans179.3-179.5-178.200000113.9V17 E64V17-G41 WeakPolarHBondContact CG2-O 3.37Å; V17-G41 PolarHBondContact N-O 2.81Å; V17-G41 PolarHBondContact O-N 3.4Å; G41-E64 CarbonylContact C-O 3.5Å; G41-E64 WeakPolarHBondContact CA-O 3.49Å
42V90.8Very high88.8Confident64 Ų6480.2 Ų80.239%0.38840%0.396SS..EExtended strand (participates in β ladder)trans-101134.4178.7-1770000109.2D15 K44 E64D15-V42 WeakPolarHBondContact O-CA 3.31Å; V42-K44 PolarHBondContact O-N 3.46Å; V42-E64 PolarHBondContact N-O 3.3Å; V42-E64 PolarHBondContact O-N 3.28Å
43I89.4Confident88.7Confident1 Ų181 Ų811%0.00540%0.395CS..EExtended strand (participates in β ladder)trans-72.9115.7177.1-59.5163.9000108.9V11 K12 G14 D15 V17 L46 I61V11-I43 HydrophobicContact CB-CD1 3.36Å; V11-I43 HydrophobicContact CG1-CD1 4.16Å; V11-I43 HydrophobicContact CG2-CD1 3.32Å; K12-I43 WeakPolarHBondContact O-CD1 3.29Å; G14-I43 WeakPolarHBondContact CA-O 3.39Å; G14-I43 PolarHBondContact N-O 3.46Å; D15-I43 HydrophobicContact CB-CD1 4.4Å; D15-I43 PolarHBondContact O-N 2.87Å; V17-I43 HydrophobicContact CG1-CD1 3.64Å; V17-I43 HydrophobicContact CG1-CG1 4.05Å; V17-I43 HydrophobicContact CG2-CG1 4.2Å; I43-L46 HydrophobicContact CG2-CD1 3.48Å; I43-L46 VanDerWaalsContact CG2-CD1 3.48Å; I43-I61 HydrophobicContact CG2-CG2 4.13Å
44K87.8Confident88.5Confident130 Ų13077.3 Ų77.357%0.56537%0.373SS*.EExtended strand (participates in β ladder)trans-80-42.4-179.5-167.8172.7-161.3133.20111.8V42 D62 E64V42-K44 PolarHBondContact O-N 3.46Å; K44-D62 HydrophobicContact CB-CB 4.07Å; K44-D62 WeakPolarHBondContact CB-O 3.43Å; K44-D62 PolarHBondContact N-O 3.19Å; K44-E64 IonicContact NZ-OE1 3.32Å; K44-E64 IonicContact NZ-OE2 3.64Å; K44-E64 PolarHBondContact NZ-OE2 2.87Å
45R85.5Confident88.4Confident145 Ų14579.4 Ų79.455%0.54737%0.373SS..EExtended strand (participates in β ladder)trans-160.6141.4-175.3-166.1171.5-177.6167.30112.3I61 D62R45-I61 WeakPolarHBondContact O-CA 3.06Å; R45-D62 PolarHBondContact O-N 2.92Å; R45-D62 VanDerWaalsContact O-N 3.11Å
46L88.4Confident88.2Confident31 Ų3181.3 Ų81.316%0.16239%0.388CS..EExtended strand (participates in β ladder)trans-99.7127.6168.4-80.576.4000108.8W9 E13 I43 I61W9-L46 HydrophobicContact CD2-CD2 3.67Å; W9-L46 HydrophobicContact CE3-CD2 3.57Å; W9-L46 HydrophobicContact CE3-CG 4.43Å; W9-L46 HydrophobicContact CG-CD2 4.32Å; W9-L46 HydrophobicContact CH2-CD2 4.01Å; W9-L46 HydrophobicContact CH2-CG 4.25Å; W9-L46 HydrophobicContact CZ2-CD2 4.09Å; W9-L46 HydrophobicContact CZ3-CD2 3.74Å; W9-L46 HydrophobicContact CZ3-CG 4.14Å; E13-L46 HydrophobicContact CB-CD1 4.3Å; E13-L46 HydrophobicContact CG-CB 4.25Å; E13-L46 HydrophobicContact CG-CD1 3.44Å; E13-L46 VanDerWaalsContact CG-CD1 3.44Å; E13-L46 HydrophobicContact CG-CG 4.39Å; E13-L46 PolarHBondContact OE1-N 2.87Å; I43-L46 HydrophobicContact CG2-CD1 3.48Å; I43-L46 VanDerWaalsContact CG2-CD1 3.48Å; L46-I61 HydrophobicContact CB-CG2 4.28Å; L46-I61 HydrophobicContact CD1-CG2 4.05Å; L46-I61 HydrophobicContact CG-CG2 3.61Å
47Y86.9Confident87.8Confident104 Ų10481.7 Ų81.741%0.40841%0.406SS..SBendtrans-88.6-19.7178.4-71.1-80.7000113.5L60 D62Y47-L60 PolarHBondContact N-O 3.17Å; Y47-D62 HydrophobicContact CE2-CB 4.49Å; Y47-D62 VanDerWaalsContact CE2-OD2 3.31Å; Y47-D62 WeakPolarHBondContact CE2-OD2 3.17Å; Y47-D62 PolarHBondContact OH-OD2 3.32Å
48Y89.1Confident87.6Confident30 Ų3087.2 Ų87.212%0.11843%0.43CS..  trans-126.6147.5-175.6-60.1-88000110.6I6 W9 D52 A54 P59 L60I6-Y48 HydrophobicContact CD1-CG 4.01Å; W9-Y48 WeakPolarHBondContact CZ2-O 3.3Å; W9-Y48 PolarHBondContact NE1-O 3.36Å; Y48-D52 HydrophobicContact CD1-CB 4.43Å; Y48-D52 WeakPolarHBondContact CD1-OD2 3.19Å; Y48-A54 HydrophobicContact CD1-CB 4.02Å; Y48-A54 HydrophobicContact CD2-CB 4.25Å; Y48-A54 HydrophobicContact CE1-CB 3.86Å; Y48-A54 HydrophobicContact CE2-CB 4.1Å; Y48-A54 HydrophobicContact CG-CB 4.21Å; Y48-P59 WeakPolarHBondContact CE2-O 3.38Å; Y48-L60 HydrophobicContact CD2-CD2 3.86Å; Y48-L60 HydrophobicContact CE2-CD2 3.89Å
49N89.3Confident87.6Confident121 Ų12182.2 Ų82.265%0.64742%0.422SS*.  trans-99.3178.3177.6-68.6-79.1000111.7D52N49-D52 WeakPolarHBondContact O-CB 3.13Å; N49-D52 PolarHBondContact O-N 3.46Å
50L89.3Confident87.8Confident101 Ų10177.9 Ų77.953%0.52941%0.407SS..THydrogen-bonded Turntrans-57.6140.5167.2-67.9166.2000109.8W9 D52W9-L50 HydrophobicContact CB-CD2 4.27Å; W9-L50 HydrophobicContact CG-CD2 4.3Å; L50-D52 PolarHBondContact O-N 3.5Å
51D88.5Confident87.6Confident128 Ų12874.9 Ų74.968%0.68439%0.391SS*.THydrogen-bonded Turntrans64.49.8-177.1-62.9-58.5000116I6I6-D51 VanDerWaalsContact O-CA 3.3Å; I6-D51 WeakPolarHBondContact O-CA 3.27Å; I6-D51 PolarHBondContact O-N 3.44Å
52D90.1Very high87.5Confident62 Ų6277.1 Ų77.133%0.33240%0.4SS..  trans-83.7154.4178.7-157.93.7000112.5T5 I6 Y48 N49 L50T5-D52 WeakPolarHBondContact CA-O 3.48Å; I6-D52 HydrophobicContact CD1-CB 4.41Å; I6-D52 PolarHBondContact N-O 3.26Å; I6-D52 VanDerWaalsContact N-O 3.07Å; Y48-D52 HydrophobicContact CD1-CB 4.43Å; Y48-D52 WeakPolarHBondContact CD1-OD2 3.19Å; N49-D52 WeakPolarHBondContact O-CB 3.13Å; N49-D52 PolarHBondContact O-N 3.46Å; L50-D52 PolarHBondContact O-N 3.5Å
53I88.7Confident87.3Confident81 Ų8176.3 Ų76.342%0.41539%0.393SS..EExtended strand (participates in β ladder)trans-98.1110-177.1-56.2175.1000109.4E3E3-I53 HydrophobicContact CB-CG2 3.99Å
54A86.9Confident87.1Confident1 Ų181.6 Ų81.61%0.00842%0.418CS..EExtended strand (participates in β ladder)trans-98.9139.2174.900000111.7E3 V4 I6 Y48 L60E3-A54 WeakPolarHBondContact CA-O 3.46Å; V4-A54 HydrophobicContact CG2-CB 4.21Å; V4-A54 PolarHBondContact N-O 3.2Å; V4-A54 PolarHBondContact O-N 3.13Å; I6-A54 HydrophobicContact CD1-CB 4.39Å; Y48-A54 HydrophobicContact CD1-CB 4.02Å; Y48-A54 HydrophobicContact CD2-CB 4.25Å; Y48-A54 HydrophobicContact CE1-CB 3.86Å; Y48-A54 HydrophobicContact CE2-CB 4.1Å; Y48-A54 HydrophobicContact CG-CB 4.21Å; A54-L60 HydrophobicContact CB-CD2 3.46Å; A54-L60 VanDerWaalsContact CB-CD2 3.46Å
55Y88.9Confident86.8Confident114 Ų11477 Ų7745%0.44740%0.4SS..EExtended strand (participates in β ladder)trans-93.7138.3175.2-67.9-83.2000111E3 G57 K58E3-Y55 HydrophobicContact CB-CD1 4.28Å; E3-Y55 HydrophobicContact CB-CE1 4.24Å; Y55-G57 PolarHBondContact O-N 3.31Å; Y55-K58 PolarHBondContact O-N 3.06Å; Y55-K58 VanDerWaalsContact O-N 3.17Å
56V86.4Confident85.9Confident97 Ų9780.2 Ų80.259%0.58842%0.422SS*.THydrogen-bonded Turntrans-62.7128.9179.2-1780000110I1 R2I1-V56 HydrophobicContact CG2-CG2 4.46Å; I1-V56 WeakPolarHBondContact O-CG2 3.35Å; R2-V56 PolarHBondContact O-N 2.76Å
57G83Confident84.2Confident81 Ų8182.3 Ų82.384%0.83544%0.444SS*.THydrogen-bonded Turntrans95.3-6.5-178.500000114.6Y55Y55-G57 PolarHBondContact O-N 3.31Å
58K84.7Confident82.2Confident118 Ų11884 Ų8451%0.51346%0.459SS..SBendtrans-85.4147.3168.2-67.9-166177.2-172.60110.8Y55 L60Y55-K58 PolarHBondContact O-N 3.06Å; Y55-K58 VanDerWaalsContact O-N 3.17Å; K58-L60 PolarHBondContact O-N 3.27Å
59P85.8Confident80Confident84 Ų8492.2 Ų92.255%0.54550%0.495SS..  trans-62.6126.2173.526.2-33.1000109.7Y48Y48-P59 WeakPolarHBondContact CE2-O 3.38Å
60L85.8Confident77.6Confident40 Ų4092.1 Ų92.121%0.20950%0.495CS..  trans-85.9-38.6178-69170000111.6Y47 Y48 A54 K58Y47-L60 PolarHBondContact N-O 3.17Å; Y48-L60 HydrophobicContact CD2-CD2 3.86Å; Y48-L60 HydrophobicContact CE2-CD2 3.89Å; A54-L60 HydrophobicContact CB-CD2 3.46Å; A54-L60 VanDerWaalsContact CB-CD2 3.46Å; K58-L60 PolarHBondContact O-N 3.27Å
61I86.1Confident75.2Confident28 Ų2891.6 Ų91.614%0.14450%0.5CS..EExtended strand (participates in β ladder)trans-156.6142.9-169.420.7157.8000108.2W9 I23 I43 R45 L46 I63W9-I61 HydrophobicContact CH2-CG2 3.99Å; W9-I61 HydrophobicContact CZ3-CG2 3.94Å; I23-I61 HydrophobicContact CB-CD1 4.39Å; I23-I61 HydrophobicContact CD1-CD1 3.49Å; I23-I61 VanDerWaalsContact CD1-CD1 3.49Å; I23-I61 HydrophobicContact CG1-CD1 4.41Å; I23-I61 HydrophobicContact CG2-CD1 3.38Å; I23-I61 HydrophobicContact CG2-CG1 4.5Å; I43-I61 HydrophobicContact CG2-CG2 4.13Å; R45-I61 WeakPolarHBondContact O-CA 3.06Å; L46-I61 HydrophobicContact CB-CG2 4.28Å; L46-I61 HydrophobicContact CD1-CG2 4.05Å; L46-I61 HydrophobicContact CG-CG2 3.61Å; I61-I63 HydrophobicContact CD1-CD1 4.16Å; I61-I63 HydrophobicContact CD1-CG1 4.34Å
62D87.2Confident72.9Confident58 Ų5894 Ų9431%0.3151%0.507SS..EExtended strand (participates in β ladder)trans-96.2118.2169.6-73.2-23.6000109.2K44 R45 Y47K44-D62 HydrophobicContact CB-CB 4.07Å; K44-D62 WeakPolarHBondContact CB-O 3.43Å; K44-D62 PolarHBondContact N-O 3.19Å; R45-D62 PolarHBondContact O-N 2.92Å; R45-D62 VanDerWaalsContact O-N 3.11Å; Y47-D62 HydrophobicContact CE2-CB 4.49Å; Y47-D62 VanDerWaalsContact CE2-OD2 3.31Å; Y47-D62 WeakPolarHBondContact CE2-OD2 3.17Å; Y47-D62 PolarHBondContact OH-OD2 3.32Å
63I86.5Confident70.6Confident47 Ų4799.5 Ų99.524%0.24153%0.531CS..EExtended strand (participates in β ladder)trans-105.8119.7173.9-55.1173.9000107.8V17 I23 I61 T65V17-I63 HydrophobicContact CG2-CD1 4.2Å; V17-I63 HydrophobicContact CG2-CG2 4.14Å; I23-I63 HydrophobicContact CD1-CD1 4.11Å; I61-I63 HydrophobicContact CD1-CD1 4.16Å; I61-I63 HydrophobicContact CD1-CG1 4.34Å; I63-T65 HydrophobicContact CG2-CG2 3.82Å; I63-T65 PolarHBondContact O-N 3.19Å
64E84.4Confident68.1Low112 Ų112103.1 Ų103.152%0.52355%0.551SS.*EExtended strand (participates in β ladder)trans-84.9107.9173.8-170.8154.2-169.200108.6G41 V42 K44G41-E64 CarbonylContact C-O 3.5Å; G41-E64 WeakPolarHBondContact CA-O 3.49Å; V42-E64 PolarHBondContact N-O 3.3Å; V42-E64 PolarHBondContact O-N 3.28Å; K44-E64 IonicContact NZ-OE1 3.32Å; K44-E64 IonicContact NZ-OE2 3.64Å; K44-E64 PolarHBondContact NZ-OE2 2.87Å
65T80.8Confident66.2Low33 Ų33108.4 Ų108.420%0.20258%0.583CS.*  trans-109.2137.2176.774.80000107.7Y39 D40 I63 A67Y39-T65 HydrophobicContact CG-CG2 4.45Å; D40-T65 WeakPolarHBondContact O-CB 3.49Å; D40-T65 VanDerWaalsContact O-CG2 3.26Å; D40-T65 WeakPolarHBondContact O-CG2 3.15Å; I63-T65 HydrophobicContact CG2-CG2 3.82Å; I63-T65 PolarHBondContact O-N 3.19Å; T65-A67 PolarHBondContact O-N 3.03Å; T65-A67 VanDerWaalsContact O-N 3.11Å
66E66.4Low64Low213 Ų213108.9 Ų108.9100%0.99560%0.597SS**THydrogen-bonded Turntrans-71-2.4176.1-64.4-179.8146.100112
67A52.8Low62Low76 Ų76112.4 Ų112.463%0.62861%0.607SS**THydrogen-bonded Turntrans-93.4-13.9-163.600000115.9T65T65-A67 PolarHBondContact O-N 3.03Å; T65-A67 VanDerWaalsContact O-N 3.11Å
68L45.9Very low60.4Low139 Ų139114.7 Ų114.773%0.72861%0.605SS**  trans-177.4108169.6-95.4146.4000110D70L68-D70 PolarHBondContact O-N 3.34Å
69K43.1Very low58.9Low202 Ų202114.6 Ų114.688%0.87862%0.616SS**  trans-78.870.7167.4-163.4167.4-176.6177.50108.8
70D39.1Very low57Low120 Ų120115.1 Ų115.164%0.64263%0.628SS**  trans-96.585.5168.4-122.6-77.1000108.2L68 E72L68-D70 PolarHBondContact O-N 3.34Å; D70-E72 VanDerWaalsContact C-N 3.34Å; D70-E72 PolarHBondContact O-N 3.47Å
71S38.2Very low55.2Low89 Ų89119.6 Ų119.662%0.62266%0.657SS**  trans-75.889.5164.7-66.50000108.2E73S71-E73 PolarHBondContact O-N 3.39Å
72E40.3Very low53.6Low180 Ų180122.1 Ų122.184%0.84168%0.682SS**  trans-83.579.5152.9-64-170.914200107.4D70 D74D70-E72 VanDerWaalsContact C-N 3.34Å; D70-E72 PolarHBondContact O-N 3.47Å; E72-D74 PolarHBondContact O-N 3.01Å
73E41Very low51.6Low177 Ų177127.6 Ų127.683%0.82771%0.705SS**  trans-69.899.6157.6-80.5-176.9105.600107.6S71S71-E73 PolarHBondContact O-N 3.39Å
74D37.7Very low49.8Very low157 Ų157131 Ų13184%0.8472%0.724SS**  trans-76.9132.5157.1-150.2-29.5000108.9E72E72-D74 PolarHBondContact O-N 3.01Å
75V46Very low47.9Very low111 Ų111132.5 Ų132.567%0.67373%0.731SS**  trans-70143.4-179.5-166.70000106
76V43.2Very low45.9Very low124 Ų124138.6 Ų138.675%0.75276%0.757SS**  -174.7146.883.4-121.90000112.5
77E43.5Very low44.5Very low171 Ų171134.5 Ų134.580%0.79975%0.747SS**  trans86.485.4149.2-71.5-178.4126.300121.7
78T49.5Very low44.2Very low130 Ų130137.9 Ų137.980%0.79875%0.749SS**  trans2153.7134.647.10000120.8
79P53.5Low43.8Very low115 Ų115139.4 Ų139.475%0.74775%0.752SS**  cis-149.9158.438.838.9-17.1000119.8
80A46.4Very low43.9Very low96 Ų96136.5 Ų136.579%0.79374%0.742SS**  trans66.5137143.700000119.2
81V47.9Very low44.2Very low134 Ų134137.7 Ų137.781%0.81275%0.747SS**  cis-161138.516.8174.40000110.7
82A52.6Low44.4Very low81 Ų81142.3 Ų142.367%0.66976%0.756SS**  trans38130145.300000125.2
83H44.6Very low44.6Very low173 Ų173136.8 Ų136.880%0.80175%0.747SS**  -173.811196.9-128.455.5000109.5
84D49.1Very low45Very low118 Ų118136.5 Ų136.563%0.63175%0.746SS**  77.9132.795.2-110.6-88.4000112.8
85E43.5Very low45.9Very low143 Ų143138.6 Ų138.667%0.66875%0.747SS**  cis-167.2134.523.4-158.7172.5148.100105.5
86H40.5Very low46.7Very low162 Ų162135.7 Ų135.775%0.7573%0.73SS**SBend-165.2126.991.4-93.8-71.4000113.2
87T35.7Very low48.1Very low127 Ų127134.3 Ų134.378%0.77972%0.718SS**  trans7559.3157.6-39.40000117.2
88H46.5Very low50Low146 Ų146127.5 Ų127.568%0.67669%0.691SS**  trans-83.7106.9147.1-162.857.2000108.6E90H88-E90 VanDerWaalsContact C-N 3.29Å; H88-E90 WeakPolarHBondContact CD2-CB 3.46Å; H88-E90 IonicContact CD2-OE2 3.99Å; H88-E90 PolarHBondContact CD2-OE2 3.24Å; H88-E90 VanDerWaalsContact NE2-CB 3.3Å; H88-E90 WeakPolarHBondContact NE2-CB 3.33Å; H88-E90 WeakPolarHBondContact NE2-CG 3.38Å; H88-E90 IonicContact NE2-OE2 3.99Å; H88-E90 PolarHBondContact NE2-OE2 3.03Å; H88-E90 VanDerWaalsContact NE2-OE2 3.13Å; H88-E90 PolarHBondContact O-N 2.83Å
89Q38.4Very low51.6Low172 Ų172123.9 Ų123.980%0.80467%0.669SS**  trans-85.487.2149.5-97.2-170.514.400107I91Q89-I91 PolarHBondContact O-N 2.97Å
90E45.6Very low53Low141 Ų141123.7 Ų123.766%0.65967%0.668SS**  trans-64.2108.9158.3-146.9169.7127.600107.5H88H88-E90 VanDerWaalsContact C-N 3.29Å; H88-E90 WeakPolarHBondContact CD2-CB 3.46Å; H88-E90 IonicContact CD2-OE2 3.99Å; H88-E90 PolarHBondContact CD2-OE2 3.24Å; H88-E90 VanDerWaalsContact NE2-CB 3.3Å; H88-E90 WeakPolarHBondContact NE2-CB 3.33Å; H88-E90 WeakPolarHBondContact NE2-CG 3.38Å; H88-E90 IonicContact NE2-OE2 3.99Å; H88-E90 PolarHBondContact NE2-OE2 3.03Å; H88-E90 VanDerWaalsContact NE2-OE2 3.13Å; H88-E90 PolarHBondContact O-N 2.83Å
91I44.8Very low54.8Low145 Ų145122.7 Ų122.774%0.74466%0.66SS**  trans-89.5105.4156.1-51.4174.4000105.3Q89 G93Q89-I91 PolarHBondContact O-N 2.97Å; I91-G93 PolarHBondContact O-N 3.32Å
92K41.3Very low56.7Low185 Ų185116.8 Ų116.880%0.80462%0.624SS**  trans-30.7124.6165.8-80.1173170.5173.80112
93G45.1Very low58.4Low65 Ų65119.8 Ų119.867%0.6762%0.618SS**  trans77.959.913100000117.6I91I91-G93 PolarHBondContact O-N 3.32Å
94Q48.6Very low60.5Low170 Ų170119.7 Ų119.779%0.79461%0.61SS**  trans-146.8116134.5-89.7106.66.300107.5T96Q94-T96 PolarHBondContact O-N 2.82Å
95K57.5Low62.3Low201 Ų201115.9 Ų115.987%0.87459%0.59SS**  trans-59.595.2161.6-72.7177.4177-1730105.6L97K95-L97 PolarHBondContact O-N 3.36Å
96T62.9Low64.5Low50 Ų50109.1 Ų109.131%0.30756%0.558SS.*  trans-56.1113.8179.142.10000107.2Q94 A98 L113 I125Q94-T96 PolarHBondContact O-N 2.82Å; T96-A98 PolarHBondContact O-N 3.37Å; T96-L113 HydrophobicContact CG2-CB 4.3Å; T96-I125 HydrophobicContact CG2-CD1 4.27Å
97L73.4Confident66.7Low95 Ų95107 Ų10750%0.49755%0.55SS.*  trans-70.7102.1-177.1-63.9169000106.3K95 D122 R124 I125K95-L97 PolarHBondContact O-N 3.36Å; L97-D122 WeakPolarHBondContact CD1-O 3.42Å; L97-R124 HydrophobicContact CB-CB 4.5Å; L97-R124 CarbonylContact O-C 3.59Å; L97-R124 WeakPolarHBondContact O-CA 3.5Å; L97-R124 VanDerWaalsContact O-CG 3.27Å; L97-R124 WeakPolarHBondContact O-CG 3.47Å; L97-I125 PolarHBondContact O-N 2.98Å
98A82.4Confident69.2Low29 Ų29106.5 Ų106.524%0.2454%0.539CS..BIsolated β-bridgetrans-138.1145.1177.800000109.7T96 V102 L113 I125T96-A98 PolarHBondContact O-N 3.37Å; A98-V102 HydrophobicContact CB-CG1 4.29Å; A98-L113 HydrophobicContact CB-CD2 3.62Å; A98-I125 HydrophobicContact CB-CB 4.17Å
99T82.5Confident71.1Confident53 Ų53102.8 Ų102.833%0.32552%0.524SS..  trans-70.6150.6172.8260000110.7A101 V102 R103T99-A101 VanDerWaalsContact C-N 3.26Å; T99-A101 PolarHBondContact O-N 3.02Å; T99-A101 VanDerWaalsContact O-N 3.16Å; T99-V102 WeakPolarHBondContact O-CB 3.17Å; T99-V102 PolarHBondContact O-N 3.37Å; T99-V102 WeakPolarHBondContact OG1-CG2 3.26Å; T99-R103 PolarHBondContact O-N 3.49Å
100P83.6Confident73.2Confident111 Ų111101.6 Ų101.672%0.72152%0.523SS*.Hα-helixtrans-54.8-37.8-176-27.834.8000114.3V102 R103 R104P100-V102 PolarHBondContact O-N 3.44Å; P100-R103 PolarHBondContact O-N 3.04Å; P100-R104 PolarHBondContact O-N 3.37Å
101A84.5Confident75.1Confident76 Ų7695.3 Ų95.363%0.62849%0.494SS*.Hα-helixtrans-64.6-38.4177.200000113T99 R104 L105T99-A101 VanDerWaalsContact C-N 3.26Å; T99-A101 PolarHBondContact O-N 3.02Å; T99-A101 VanDerWaalsContact O-N 3.16Å; A101-R104 PolarHBondContact O-N 3.28Å; A101-L105 PolarHBondContact O-N 3Å; A101-L105 VanDerWaalsContact O-N 3.1Å
102V87.8Confident77.1Confident9 Ų994.8 Ų94.86%0.05549%0.487CS..Hα-helixtrans-70-40.9177.8172.80000109.9A98 T99 P100 R104 L105 A106 I125 I130A98-V102 HydrophobicContact CB-CG1 4.29Å; T99-V102 WeakPolarHBondContact O-CB 3.17Å; T99-V102 PolarHBondContact O-N 3.37Å; T99-V102 WeakPolarHBondContact OG1-CG2 3.26Å; P100-V102 PolarHBondContact O-N 3.44Å; V102-R104 VanDerWaalsContact C-N 3.34Å; V102-R104 PolarHBondContact O-N 3.16Å; V102-L105 PolarHBondContact O-N 3.04Å; V102-A106 PolarHBondContact O-N 3.49Å; V102-I125 HydrophobicContact CG1-CB 4.23Å; V102-I125 HydrophobicContact CG1-CG2 3.84Å; V102-I130 HydrophobicContact CB-CD1 4.25Å; V102-I130 HydrophobicContact CG1-CD1 3.29Å; V102-I130 HydrophobicContact CG1-CG1 4.08Å; V102-I130 WeakPolarHBondContact O-CD1 3.36Å
103R88.6Confident79.1Confident144 Ų14487 Ų8754%0.54345%0.453SS..Hα-helixtrans-60.5-42.1175.2-166.7177.3-155171.64.4112.3T99 P100 A106 M107 L113T99-R103 PolarHBondContact O-N 3.49Å; P100-R103 PolarHBondContact O-N 3.04Å; R103-A106 PolarHBondContact O-N 2.79Å; R103-M107 HydrophobicContact CG-CE 3.73Å; R103-M107 WeakPolarHBondContact O-CG 3.31Å; R103-M107 PolarHBondContact O-N 3.07Å; R103-L113 HydrophobicContact CB-CD2 4.34Å; R103-L113 HydrophobicContact CG-CD1 4.43Å; R103-L113 HydrophobicContact CG-CD2 4.06Å
104R89Confident80.9Confident171 Ų17188.7 Ų88.765%0.64546%0.455SS*.Hα-helixtrans-64-44.9175.5-174.2175.2175.8156.83.9112P100 A101 V102 A106 M107 E108P100-R104 PolarHBondContact O-N 3.37Å; A101-R104 PolarHBondContact O-N 3.28Å; V102-R104 VanDerWaalsContact C-N 3.34Å; V102-R104 PolarHBondContact O-N 3.16Å; R104-A106 VanDerWaalsContact C-N 3.31Å; R104-A106 PolarHBondContact O-N 3.28Å; R104-M107 PolarHBondContact O-N 2.61Å; R104-E108 WeakPolarHBondContact CG-OE1 3.23Å; R104-E108 IonicContact CZ-OE1 3.09Å; R104-E108 IonicContact NE-OE1 3.78Å; R104-E108 PolarHBondContact NE-OE1 2.82Å; R104-E108 VanDerWaalsContact NE-OE1 3.09Å; R104-E108 IonicContact NH2-OE1 2.79Å; R104-E108 WeakPolarHBondContact O-CG 3.49Å; R104-E108 PolarHBondContact O-N 2.88Å
105L87.1Confident82.5Confident39 Ų3985.9 Ų85.920%0.20444%0.442CS..Hα-helixtrans-62.2-38.3178.3-172.966.1000112.4A101 V102 N109 K127 I130A101-L105 PolarHBondContact O-N 3Å; A101-L105 VanDerWaalsContact O-N 3.1Å; V102-L105 PolarHBondContact O-N 3.04Å; L105-N109 PolarHBondContact O-N 3.1Å; L105-N109 PolarHBondContact O-ND2 3.09Å; L105-K127 HydrophobicContact CD2-CG 3.86Å; L105-I130 HydrophobicContact CB-CD1 4.34Å; L105-I130 HydrophobicContact CD2-CG2 4.29Å; L105-I130 HydrophobicContact CG-CG2 4.29Å
106A89Confident83.7Confident1 Ų176.9 Ų76.91%0.00840%0.404CS..Hα-helixtrans-64.3-42.7175.300000112V102 R103 R104 N109 N110 I111 L113 I130V102-A106 PolarHBondContact O-N 3.49Å; R103-A106 PolarHBondContact O-N 2.79Å; R104-A106 VanDerWaalsContact C-N 3.31Å; R104-A106 PolarHBondContact O-N 3.28Å; A106-N109 CarbonylContact O-C 3.5Å; A106-N109 PolarHBondContact O-N 3.35Å; A106-N110 PolarHBondContact O-N 2.78Å; A106-I111 HydrophobicContact CB-CB 4.29Å; A106-I111 PolarHBondContact O-N 2.95Å; A106-L113 HydrophobicContact CB-CD1 3.34Å; A106-L113 HydrophobicContact CB-CG 4.31Å; A106-I130 HydrophobicContact CB-CD1 3.8Å
107M86.7Confident84.8Confident117 Ų11780.7 Ų80.758%0.57643%0.427SS*.Hα-helixtrans-63.5-45.1177.9-69.4166.8179.500112.1R103 R104 N109 N110R103-M107 HydrophobicContact CG-CE 3.73Å; R103-M107 WeakPolarHBondContact O-CG 3.31Å; R103-M107 PolarHBondContact O-N 3.07Å; R104-M107 PolarHBondContact O-N 2.61Å; M107-N109 PolarHBondContact O-N 2.78Å; M107-N110 PolarHBondContact O-N 3.22Å
108E87.2Confident85.3Confident117 Ų11777.1 Ų77.155%0.54741%0.413SS..Hα-helixtrans-62-30.7179.3-72.1172.6-178.200112.2R104R104-E108 WeakPolarHBondContact CG-OE1 3.23Å; R104-E108 IonicContact CZ-OE1 3.09Å; R104-E108 IonicContact NE-OE1 3.78Å; R104-E108 PolarHBondContact NE-OE1 2.82Å; R104-E108 VanDerWaalsContact NE-OE1 3.09Å; R104-E108 IonicContact NH2-OE1 2.79Å; R104-E108 WeakPolarHBondContact O-CG 3.49Å; R104-E108 PolarHBondContact O-N 2.88Å
109N86.6Confident85.4Confident67 Ų6780.2 Ų80.236%0.35843%0.433SS..THydrogen-bonded Turntrans-98.78.9178.3-67.8-83.8000113.3L105 A106 M107 I111 L134L105-N109 PolarHBondContact O-N 3.1Å; L105-N109 PolarHBondContact O-ND2 3.09Å; A106-N109 CarbonylContact O-C 3.5Å; A106-N109 PolarHBondContact O-N 3.35Å; M107-N109 PolarHBondContact O-N 2.78Å; N109-I111 VanDerWaalsContact C-N 3.25Å; N109-I111 HydrophobicContact CB-CD1 3.62Å; N109-I111 HydrophobicContact CB-CG1 4.12Å; N109-I111 PolarHBondContact O-N 3.44Å; N109-L134 HydrophobicContact CB-CD1 4.06Å; N109-L134 HydrophobicContact CB-CD2 4.16Å
110N83.7Confident85.3Confident147 Ų14778.4 Ų78.479%0.78643%0.425SS*.THydrogen-bonded Turntrans56.932.8179.7-59.7-87.5000114.5A106 M107A106-N110 PolarHBondContact O-N 2.78Å; M107-N110 PolarHBondContact O-N 3.22Å
111I84.9Confident84.9Confident10 Ų1081.6 Ų81.65%0.05143%0.428CS..  trans-96.4132.4179.9-60.3156.3000109.4A106 N109 V116 I130 F133 L134A106-I111 HydrophobicContact CB-CB 4.29Å; A106-I111 PolarHBondContact O-N 2.95Å; N109-I111 VanDerWaalsContact C-N 3.25Å; N109-I111 HydrophobicContact CB-CD1 3.62Å; N109-I111 HydrophobicContact CB-CG1 4.12Å; N109-I111 PolarHBondContact O-N 3.44Å; I111-V116 HydrophobicContact CG2-CG2 3.42Å; I111-V116 VanDerWaalsContact CG2-CG2 3.42Å; I111-I130 HydrophobicContact CD1-CG2 3.42Å; I111-I130 VanDerWaalsContact CD1-CG2 3.42Å; I111-F133 HydrophobicContact CB-CD1 4.48Å; I111-F133 HydrophobicContact CD1-CD1 4.43Å; I111-F133 HydrophobicContact CG1-CD1 4.12Å; I111-F133 HydrophobicContact CG1-CE1 4.42Å; I111-F133 HydrophobicContact CG2-CD1 3.56Å; I111-F133 HydrophobicContact CG2-CE1 3.72Å; I111-F133 HydrophobicContact CG2-CG 4.36Å; I111-L134 HydrophobicContact CD1-CD1 3.89Å; I111-L134 HydrophobicContact CD1-CD2 3.66Å; I111-L134 HydrophobicContact CD1-CG 3.48Å; I111-L134 VanDerWaalsContact CD1-CG 3.48Å; I111-L134 HydrophobicContact CG1-CD2 4.21Å; I111-L134 HydrophobicContact CG1-CG 4.47Å
112K86.2Confident84.2Confident134 Ų13484.1 Ų84.158%0.58343%0.43SS*.  trans-83.7122.7173.9-66.8175.4-169.1163.10109.9S114 E115K112-S114 PolarHBondContact O-N 3.11Å; K112-S114 VanDerWaalsContact O-N 3.09Å; K112-E115 HydrophobicContact CB-CG 4.22Å; K112-E115 WeakPolarHBondContact CD-OE1 3.26Å; K112-E115 IonicContact NZ-OE1 2.69Å; K112-E115 PolarHBondContact O-N 3.2Å
113L83.3Confident83.6Confident21 Ų2186 Ų8611%0.1145%0.451CS..G310 helixtrans-57-27.6178.4-82.572.5000112.7T96 A98 R103 A106 E115 V116 I125T96-L113 HydrophobicContact CG2-CB 4.3Å; A98-L113 HydrophobicContact CB-CD2 3.62Å; R103-L113 HydrophobicContact CB-CD2 4.34Å; R103-L113 HydrophobicContact CG-CD1 4.43Å; R103-L113 HydrophobicContact CG-CD2 4.06Å; A106-L113 HydrophobicContact CB-CD1 3.34Å; A106-L113 HydrophobicContact CB-CG 4.31Å; L113-E115 VanDerWaalsContact C-N 3.26Å; L113-E115 PolarHBondContact O-N 3.2Å; L113-V116 PolarHBondContact O-N 3.01Å; L113-I125 HydrophobicContact CB-CD1 3.87Å; L113-I125 HydrophobicContact CD2-CD1 4.35Å; L113-I125 HydrophobicContact CG-CD1 4.07Å; L113-I125 VanDerWaalsContact O-CD1 3.26Å; L113-I125 WeakPolarHBondContact O-CD1 3.46Å
114S83.6Confident83.5Confident101 Ų10184.8 Ų84.871%0.70645%0.447SS*.G310 helixtrans-68.9-21.4179.1-47.30000113.9K112K112-S114 PolarHBondContact O-N 3.11Å; K112-S114 VanDerWaalsContact O-N 3.09Å
115E81.9Confident83.5Confident110 Ų11076.8 Ų76.851%0.51442%0.417SS..G310 helixtrans-95.2-9.4-178.7-63.6175.5-171.400112K112 L113 F133K112-E115 HydrophobicContact CB-CG 4.22Å; K112-E115 WeakPolarHBondContact CD-OE1 3.26Å; K112-E115 IonicContact NZ-OE1 2.69Å; K112-E115 PolarHBondContact O-N 3.2Å; L113-E115 VanDerWaalsContact C-N 3.26Å; L113-E115 PolarHBondContact O-N 3.2Å; E115-F133 HydrophobicContact CB-CE2 4.21Å; E115-F133 HydrophobicContact CB-CZ 4.04Å; E115-F133 WeakPolarHBondContact O-CE2 3.34Å
116V83.8Confident83.6Confident13 Ų1377.9 Ų77.98%0.07942%0.423CS..SBendtrans-94.5122.4-177.3-176.20000109.8I111 L113 G118 I125 D129 F133I111-V116 HydrophobicContact CG2-CG2 3.42Å; I111-V116 VanDerWaalsContact CG2-CG2 3.42Å; L113-V116 PolarHBondContact O-N 3.01Å; V116-G118 PolarHBondContact O-N 2.97Å; V116-I125 HydrophobicContact CB-CD1 4.41Å; V116-I125 HydrophobicContact CB-CG2 4.45Å; V116-I125 HydrophobicContact CG1-CG2 3.83Å; V116-D129 HydrophobicContact CG1-CB 3.83Å; V116-F133 HydrophobicContact CG1-CB 4.48Å; V116-F133 HydrophobicContact CG2-CB 4.22Å; V116-F133 HydrophobicContact CG2-CD1 4.24Å; V116-F133 HydrophobicContact CG2-CD2 4.03Å; V116-F133 HydrophobicContact CG2-CE2 4.44Å; V116-F133 HydrophobicContact CG2-CG 3.9Å
117V84.7Confident83.5Confident129 Ų12984 Ų8478%0.78245%0.449SS*.  trans-73.2112.8172.3-179.10000108.7
118G84.3Confident83.5Confident21 Ų2184.9 Ų84.922%0.21645%0.452CS..  trans-78.6122.9177.500000112.2V116 R124V116-G118 PolarHBondContact O-N 2.97Å; G118-R124 CarbonylContact C-O 3.54Å
119S83.8Confident83.5Confident94 Ų9480.3 Ų80.366%0.65743%0.431SS*.  trans-92-0.1178.9-170.50000113.4D129S119-D129 WeakPolarHBondContact CB-OD1 3.37Å; S119-D129 PolarHBondContact N-OD1 3.11Å; S119-D129 PolarHBondContact N-OD2 3.25Å
120G80.3Confident83.6Confident15 Ų1577.2 Ų77.216%0.15541%0.414CS..BIsolated β-bridgetrans-78.9166.3-178.900000114.2D122 G123 R124G120-D122 PolarHBondContact O-N 2.83Å; G120-G123 PolarHBondContact O-N 2.94Å; G120-R124 WeakPolarHBondContact CA-O 3.41Å; G120-R124 PolarHBondContact N-O 2.75Å; G120-R124 PolarHBondContact O-N 2.71Å
121K75.1Confident83.7Confident178 Ų17873.7 Ų73.777%0.77440%0.395SS*.THydrogen-bonded Turntrans-55.1129.3175-161179.375.4177.70109.9G123 R124K121-G123 VanDerWaalsContact C-N 3.35Å; K121-R124 WeakPolarHBondContact O-CB 3.48Å
122D69.9Low83.7Confident129 Ų12976.7 Ų76.769%0.6941%0.411SS*.THydrogen-bonded Turntrans67.625.2-174.6-52.4-70.5000115L97 G120 R124L97-D122 WeakPolarHBondContact CD1-O 3.42Å; G120-D122 PolarHBondContact O-N 2.83Å; D122-R124 VanDerWaalsContact C-N 3.34Å
123G76.3Confident83.7Confident48 Ų4872.4 Ų72.450%0.49539%0.393SS..THydrogen-bonded Turntrans74.627.1-179.900000112.8G120 K121G120-G123 PolarHBondContact O-N 2.94Å; K121-G123 VanDerWaalsContact C-N 3.35Å
124R86.3Confident83.8Confident118 Ų11873.6 Ų73.645%0.44540%0.399SS..BIsolated β-bridgetrans-74.8135178.8-177.2179.5-65.1-169.4-0.2110.8L97 G118 G120 K121 D122L97-R124 HydrophobicContact CB-CB 4.5Å; L97-R124 CarbonylContact O-C 3.59Å; L97-R124 WeakPolarHBondContact O-CA 3.5Å; L97-R124 VanDerWaalsContact O-CG 3.27Å; L97-R124 WeakPolarHBondContact O-CG 3.47Å; G118-R124 CarbonylContact C-O 3.54Å; G120-R124 WeakPolarHBondContact CA-O 3.41Å; G120-R124 PolarHBondContact N-O 2.75Å; G120-R124 PolarHBondContact O-N 2.71Å; K121-R124 WeakPolarHBondContact O-CB 3.48Å; D122-R124 VanDerWaalsContact C-N 3.34Å
125I88.6Confident83.7Confident4 Ų474.9 Ų74.92%0.02139%0.394CS..BIsolated β-bridgetrans-78.1126.8174.7-53.5169.1000108.9T96 L97 A98 V102 L113 V116 D129 I130T96-I125 HydrophobicContact CG2-CD1 4.27Å; L97-I125 PolarHBondContact O-N 2.98Å; A98-I125 HydrophobicContact CB-CB 4.17Å; V102-I125 HydrophobicContact CG1-CB 4.23Å; V102-I125 HydrophobicContact CG1-CG2 3.84Å; L113-I125 HydrophobicContact CB-CD1 3.87Å; L113-I125 HydrophobicContact CD2-CD1 4.35Å; L113-I125 HydrophobicContact CG-CD1 4.07Å; L113-I125 VanDerWaalsContact O-CD1 3.26Å; L113-I125 WeakPolarHBondContact O-CD1 3.46Å; V116-I125 HydrophobicContact CB-CD1 4.41Å; V116-I125 HydrophobicContact CB-CG2 4.45Å; V116-I125 HydrophobicContact CG1-CG2 3.83Å; I125-D129 HydrophobicContact CG2-CB 4.04Å; I125-I130 HydrophobicContact CG2-CG1 4.05Å
126L90.1Very high83.5Confident61 Ų6176 Ų7632%0.31940%0.397SS..PPolyproline II helixtrans-100.1168.9175.9-72.4155000111E128 D129 I130L126-E128 PolarHBondContact O-N 3.48Å; L126-D129 PolarHBondContact N-OD2 3.37Å; L126-D129 PolarHBondContact O-N 3.32Å; L126-I130 PolarHBondContact O-N 2.85Å
127K87Confident82.7Confident130 Ų13080.3 Ų80.357%0.56542%0.416SS*.Hα-helixtrans-58.5-39.8174-178.6-177.6176.6-173.40111.3L105 D129 I130 L131L105-K127 HydrophobicContact CD2-CG 3.86Å; K127-D129 VanDerWaalsContact C-N 3.31Å; K127-D129 PolarHBondContact O-N 3.17Å; K127-I130 PolarHBondContact O-N 3.26Å; K127-L131 HydrophobicContact CG-CD1 4.18Å; K127-L131 WeakPolarHBondContact O-CG 3.12Å; K127-L131 PolarHBondContact O-N 2.91Å; K127-L131 VanDerWaalsContact O-N 3.17Å
128E86.9Confident81.6Confident136 Ų13679.1 Ų79.164%0.63641%0.409SS*.Hα-helixtrans-63.8-36.3180-67.7149.5105.800112L126 I130 L131 N132L126-E128 PolarHBondContact O-N 3.48Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-I130 PolarHBondContact O-N 3.12Å; E128-L131 PolarHBondContact O-N 3.24Å; E128-N132 VanDerWaalsContact O-CB 3.26Å; E128-N132 WeakPolarHBondContact O-CB 3.5Å; E128-N132 PolarHBondContact O-N 2.84Å
129D87.1Confident80.2Confident21 Ų2180.3 Ų80.311%0.11242%0.422CS..Hα-helixtrans-65.7-37.7179.6-60.6-38.7000111.7V116 S119 I125 L126 K127 F133V116-D129 HydrophobicContact CG1-CB 3.83Å; S119-D129 WeakPolarHBondContact CB-OD1 3.37Å; S119-D129 PolarHBondContact N-OD1 3.11Å; S119-D129 PolarHBondContact N-OD2 3.25Å; I125-D129 HydrophobicContact CG2-CB 4.04Å; L126-D129 PolarHBondContact N-OD2 3.37Å; L126-D129 PolarHBondContact O-N 3.32Å; K127-D129 VanDerWaalsContact C-N 3.31Å; K127-D129 PolarHBondContact O-N 3.17Å; D129-F133 VanDerWaalsContact O-CB 3.3Å; D129-F133 WeakPolarHBondContact O-CB 3.3Å; D129-F133 PolarHBondContact O-N 2.86Å
130I87Confident78.5Confident1 Ų179.6 Ų79.61%0.00542%0.422CS..Hα-helixtrans-68.7-44.2175.6-62.3-179.2000111.1V102 L105 A106 I111 I125 L126 K127 E128 F133 L134V102-I130 HydrophobicContact CB-CD1 4.25Å; V102-I130 HydrophobicContact CG1-CD1 3.29Å; V102-I130 HydrophobicContact CG1-CG1 4.08Å; V102-I130 WeakPolarHBondContact O-CD1 3.36Å; L105-I130 HydrophobicContact CB-CD1 4.34Å; L105-I130 HydrophobicContact CD2-CG2 4.29Å; L105-I130 HydrophobicContact CG-CG2 4.29Å; A106-I130 HydrophobicContact CB-CD1 3.8Å; I111-I130 HydrophobicContact CD1-CG2 3.42Å; I111-I130 VanDerWaalsContact CD1-CG2 3.42Å; I125-I130 HydrophobicContact CG2-CG1 4.05Å; L126-I130 PolarHBondContact O-N 2.85Å; K127-I130 PolarHBondContact O-N 3.26Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-I130 PolarHBondContact O-N 3.12Å; I130-F133 WeakPolarHBondContact O-CB 3.4Å; I130-F133 PolarHBondContact O-N 2.89Å; I130-L134 HydrophobicContact CG2-CD1 4.49Å; I130-L134 PolarHBondContact O-N 2.89Å
131L86.6Confident77Confident74 Ų7485.2 Ų85.239%0.38745%0.447SS..Hα-helixtrans-63.6-43.4178.3-70.4170.5000111.3K127 E128 F133 L134 E135K127-L131 HydrophobicContact CG-CD1 4.18Å; K127-L131 WeakPolarHBondContact O-CG 3.12Å; K127-L131 PolarHBondContact O-N 2.91Å; K127-L131 VanDerWaalsContact O-N 3.17Å; E128-L131 PolarHBondContact O-N 3.24Å; L131-F133 VanDerWaalsContact C-N 3.31Å; L131-F133 PolarHBondContact O-N 2.9Å; L131-L134 WeakPolarHBondContact O-CB 3.32Å; L131-L134 PolarHBondContact O-N 2.87Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.48Å
132N85.8Confident75.9Confident72 Ų7283.1 Ų83.139%0.38544%0.443SS..Hα-helixtrans-67.3-33.7176.4-165.95000111.4E128 E135 K136E128-N132 VanDerWaalsContact O-CB 3.26Å; E128-N132 WeakPolarHBondContact O-CB 3.5Å; E128-N132 PolarHBondContact O-N 2.84Å; N132-E135 PolarHBondContact O-N 3.07Å; N132-K136 WeakPolarHBondContact O-CB 3.43Å; N132-K136 WeakPolarHBondContact O-CG 3.13Å; N132-K136 PolarHBondContact O-N 3.34Å; N132-K136 WeakPolarHBondContact OD1-CE 3.36Å
133F86.1Confident75.3Confident44 Ų4481.7 Ų81.719%0.19344%0.441CS..Hα-helixtrans-64.9-40.9172.2-171.4-93.1000111.8I111 E115 V116 D129 I130 L131 K136 Q137I111-F133 HydrophobicContact CB-CD1 4.48Å; I111-F133 HydrophobicContact CD1-CD1 4.43Å; I111-F133 HydrophobicContact CG1-CD1 4.12Å; I111-F133 HydrophobicContact CG1-CE1 4.42Å; I111-F133 HydrophobicContact CG2-CD1 3.56Å; I111-F133 HydrophobicContact CG2-CE1 3.72Å; I111-F133 HydrophobicContact CG2-CG 4.36Å; E115-F133 HydrophobicContact CB-CE2 4.21Å; E115-F133 HydrophobicContact CB-CZ 4.04Å; E115-F133 WeakPolarHBondContact O-CE2 3.34Å; V116-F133 HydrophobicContact CG1-CB 4.48Å; V116-F133 HydrophobicContact CG2-CB 4.22Å; V116-F133 HydrophobicContact CG2-CD1 4.24Å; V116-F133 HydrophobicContact CG2-CD2 4.03Å; V116-F133 HydrophobicContact CG2-CE2 4.44Å; V116-F133 HydrophobicContact CG2-CG 3.9Å; D129-F133 VanDerWaalsContact O-CB 3.3Å; D129-F133 WeakPolarHBondContact O-CB 3.3Å; D129-F133 PolarHBondContact O-N 2.86Å; I130-F133 WeakPolarHBondContact O-CB 3.4Å; I130-F133 PolarHBondContact O-N 2.89Å; L131-F133 VanDerWaalsContact C-N 3.31Å; L131-F133 PolarHBondContact O-N 2.9Å; F133-K136 PolarHBondContact O-N 2.86Å; F133-Q137 VanDerWaalsContact CE1-OE1 3.27Å; F133-Q137 VanDerWaalsContact O-CB 3.28Å; F133-Q137 WeakPolarHBondContact O-CB 3.35Å; F133-Q137 PolarHBondContact O-N 3.34Å
134L85.1Confident74.2Confident47 Ų4785.1 Ų85.125%0.24645%0.454CS..Hα-helixtrans-61.7-45.1172.5-77.8166.7000112.4N109 I111 I130 L131 K136 Q137 T138N109-L134 HydrophobicContact CB-CD1 4.06Å; N109-L134 HydrophobicContact CB-CD2 4.16Å; I111-L134 HydrophobicContact CD1-CD1 3.89Å; I111-L134 HydrophobicContact CD1-CD2 3.66Å; I111-L134 HydrophobicContact CD1-CG 3.48Å; I111-L134 VanDerWaalsContact CD1-CG 3.48Å; I111-L134 HydrophobicContact CG1-CD2 4.21Å; I111-L134 HydrophobicContact CG1-CG 4.47Å; I130-L134 HydrophobicContact CG2-CD1 4.49Å; I130-L134 PolarHBondContact O-N 2.89Å; L131-L134 WeakPolarHBondContact O-CB 3.32Å; L131-L134 PolarHBondContact O-N 2.87Å; L134-K136 VanDerWaalsContact C-N 3.29Å; L134-K136 PolarHBondContact O-N 2.79Å; L134-Q137 PolarHBondContact O-N 2.66Å; L134-T138 WeakPolarHBondContact O-CB 3.28Å; L134-T138 VanDerWaalsContact O-CG2 3.3Å; L134-T138 WeakPolarHBondContact O-CG2 3.21Å; L134-T138 PolarHBondContact O-N 3.44Å
135E81.9Confident72.2Confident128 Ų12884.4 Ų84.460%0.59847%0.468SS*.Hα-helixtrans-62.8-35.9176.2-73175175.600112.1L131 N132 T138 G139L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.48Å; N132-E135 PolarHBondContact O-N 3.07Å; E135-T138 VanDerWaalsContact O-CG2 3.29Å; E135-T138 WeakPolarHBondContact O-CG2 3.36Å; E135-G139 WeakPolarHBondContact O-CA 3.43Å; E135-G139 PolarHBondContact O-N 2.84Å
136K76.1Confident70.4Confident132 Ų13289.8 Ų89.857%0.57450%0.503SS*.Hα-helixtrans-74-36.7173.9-74171-179.3179.10112.6N132 F133 L134 G139 A140N132-K136 WeakPolarHBondContact O-CB 3.43Å; N132-K136 WeakPolarHBondContact O-CG 3.13Å; N132-K136 PolarHBondContact O-N 3.34Å; N132-K136 WeakPolarHBondContact OD1-CE 3.36Å; F133-K136 PolarHBondContact O-N 2.86Å; L134-K136 VanDerWaalsContact C-N 3.29Å; L134-K136 PolarHBondContact O-N 2.79Å; K136-G139 CarbonylContact O-C 3.58Å; K136-G139 PolarHBondContact O-N 3.26Å; K136-A140 WeakPolarHBondContact O-CB 3.33Å; K136-A140 PolarHBondContact O-N 2.8Å
137Q68.3Low68.6Low105 Ų10596.4 Ų96.449%0.49153%0.529SS..Hα-helixtrans-71.3-37.1178.2-170.6170.4-7.900111.5F133 L134F133-Q137 VanDerWaalsContact CE1-OE1 3.27Å; F133-Q137 VanDerWaalsContact O-CB 3.28Å; F133-Q137 WeakPolarHBondContact O-CB 3.35Å; F133-Q137 PolarHBondContact O-N 3.34Å; L134-Q137 PolarHBondContact O-N 2.66Å
138T61.2Low66.6Low103 Ų10395.7 Ų95.763%0.63254%0.54SS*.Hα-helixtrans-74.6-33170.4-164.10000111.7L134 E135L134-T138 WeakPolarHBondContact O-CB 3.28Å; L134-T138 VanDerWaalsContact O-CG2 3.3Å; L134-T138 WeakPolarHBondContact O-CG2 3.21Å; L134-T138 PolarHBondContact O-N 3.44Å; E135-T138 VanDerWaalsContact O-CG2 3.29Å; E135-T138 WeakPolarHBondContact O-CG2 3.36Å
139G54.8Low64.9Low47 Ų4796.6 Ų96.649%0.48555%0.545SS..Hα-helixtrans-73.4-24.1175.800000114.7E135 K136 I141 L142E135-G139 WeakPolarHBondContact O-CA 3.43Å; E135-G139 PolarHBondContact O-N 2.84Å; K136-G139 CarbonylContact O-C 3.58Å; K136-G139 PolarHBondContact O-N 3.26Å; G139-I141 VanDerWaalsContact C-N 3.29Å; G139-I141 PolarHBondContact O-N 3.07Å; G139-L142 PolarHBondContact O-N 3.35Å
140A48.2Very low62.9Low78 Ų78103 Ų10365%0.64558%0.578SS**THydrogen-bonded Turntrans-83.30.6178.700000114K136K136-A140 WeakPolarHBondContact O-CB 3.33Å; K136-A140 PolarHBondContact O-N 2.8Å
141I47.8Very low61.1Low133 Ų133107.5 Ų107.568%0.68261%0.605SS**THydrogen-bonded Turntrans-83.82.6168.6-63158.8000111.5G139G139-I141 VanDerWaalsContact C-N 3.29Å; G139-I141 PolarHBondContact O-N 3.07Å
142L53.8Low60Low135 Ų135109.4 Ų109.471%0.70762%0.622SS**  trans-127.5110159.8-92.994.5000111.7G139 P144G139-L142 PolarHBondContact O-N 3.35Å; L142-P144 WeakPolarHBondContact O-CD 3.41Å
143P55.9Low59Low99 Ų99111.4 Ų111.464%0.64364%0.639SS**  trans-69.3123.6138.327.9-27.9000108.5S145P143-S145 VanDerWaalsContact C-N 3.3Å; P143-S145 PolarHBondContact O-N 2.92Å
144P53.2Low57.9Low119 Ų119114.9 Ų114.977%0.77367%0.666SS**  trans-67.795160.328.5-30.7000107.6L142L142-P144 WeakPolarHBondContact O-CD 3.41Å
145S45.8Very low57Low104 Ų104118.2 Ų118.273%0.72769%0.69SS**  trans-66.6128.7162.1-73.50000108.5P143P143-S145 VanDerWaalsContact C-N 3.3Å; P143-S145 PolarHBondContact O-N 2.92Å
146P50.4Low55.8Low117 Ų117121.2 Ų121.276%0.7670%0.704SS**  trans-65.7149.5-172.926.8-34.3000111.8S148P146-S148 PolarHBondContact O-N 2.86Å
147K50.7Low55Low199 Ų199120 Ų12087%0.86571%0.71SS**  trans-30.6107163.2-77.1168.8171.4172.70112
148S46.2Very low54.4Low115 Ų115126.1 Ų126.180%0.80473%0.729SS**  trans-92.798.1141.2-119.90000106.5P146 I150P146-S148 PolarHBondContact O-N 2.86Å; S148-I150 PolarHBondContact O-N 2.89Å; S148-I150 VanDerWaalsContact O-N 3.13Å
149E51Low53.9Low155 Ų155127.6 Ų127.672%0.72473%0.732SS**  trans-58.1102.1169.1-168.1163.8152.700109T151E149-T151 PolarHBondContact O-N 2.92Å
150I44.8Very low54.2Low157 Ų157136 Ų13681%0.80575%0.749SS**  trans-9289.9160.8-58.4169.7000105.3S148S148-I150 PolarHBondContact O-N 2.89Å; S148-I150 VanDerWaalsContact O-N 3.13Å
151T49.8Very low54.5Low95 Ų95136.8 Ų136.858%0.58375%0.748SS**PPolyproline II helixtrans-53.1133.3165.3-380000108.7E149 P153E149-T151 PolarHBondContact O-N 2.92Å; T151-P153 WeakPolarHBondContact O-CD 3.48Å
152P63.3Low54.5Low113 Ų113139.8 Ų139.873%0.73476%0.756SS**PPolyproline II helixtrans-69.6127.6174.527.2-32.1000110
153P64.8Low54.5Low115 Ų115138.9 Ų138.975%0.74776%0.759SS**PPolyproline II helixtrans-72.8142.9160.527.2-28.4000110T151T151-P153 WeakPolarHBondContact O-CD 3.48Å
154P62.5Low54.3Low117 Ų117140.2 Ų140.276%0.7677%0.765SS**PPolyproline II helixtrans-73.7163.6-168.429.4-34.2000113.8
155P65.9Low54.5Low116 Ų116139.9 Ų139.975%0.75376%0.763SS**PPolyproline II helixtrans-82.6147.5-177.634.6-33000111.5
156Q57.9Low54.8Low192 Ų192141 Ų14190%0.89777%0.765SS**  trans-167.2160154.9-109.1175.675.900111.5
157P58.8Low55.1Low107 Ų107140.4 Ų140.470%0.69576%0.764SS**  -126.9169.1-117.125.1-1000115.4
158R55.8Low55.4Low233 Ų233140 Ų14088%0.87976%0.762SS**  trans28.9126.6150.5-74.4177.7173.4173.2-1.9119.8
159D51.3Low56Low133 Ų133139.7 Ų139.771%0.71176%0.757SS**  -172.8109.3112.8-99.3-36.6000109.7
160R60.5Low56.6Low224 Ų224138.7 Ų138.785%0.84576%0.764SS**  95.9160.696.6-106.6-169.1-140.2-138.82.5112.5
161P53.7Low56.9Low95 Ų95137.1 Ų137.162%0.61776%0.762SS**  -136.2172.7-105.342.5-24.9000117.1
162F47.6Very low56.7Low195 Ų195141 Ų14186%0.85577%0.771SS**  trans63.1165.4158.1-67.7-68.1000119.2
163P53.6Low56.1Low117 Ų117142 Ų14276%0.7677%0.769SS**  cis-130.3175.8-2.423.12000115.5
164T53.1Low55.3Low126 Ų126139.8 Ų139.877%0.77377%0.768SS**  trans-69.8168.317054.30000112.4
165P56.2Low55Low112 Ų112142.6 Ų142.673%0.72777%0.768SS**  -152.9148.586.234.6-12.6000117.8
166V52.6Low54.6Low128 Ų128144.6 Ų144.678%0.77677%0.772SS**  trans58.6118.5132.3-176.20000120.1
167S57.3Low54.8Low104 Ų104145.1 Ų145.173%0.72777%0.766SS**  -171.9111.1109.366.10000115.1
168K56.1Low55Low191 Ų191145.8 Ų145.883%0.8377%0.769SS**  trans51.8128.7137-59.9179-177.5175.40121.4
169P59.3Low55.4Low109 Ų109141.3 Ų141.371%0.70876%0.757SS**  trans-91.4153.7160.936.8-29.5000111.4
170P62.9Low56.3Low134 Ų134140.2 Ų140.287%0.8776%0.758SS**  trans-104.4130.3152.522.2-8.4000111
171V51.9Low56.6Low123 Ų123136.8 Ų136.875%0.74576%0.761SS**  trans-99.5128.3-178.8174.50000108.1
172F44.6Very low56.9Low176 Ų176138.5 Ų138.577%0.77277%0.77SS**  trans56.4126.5143-132.4-95.3000120.7
173L50.8Low56.9Low134 Ų134132.9 Ų132.970%0.70277%0.767SS**  -170.368.7128.5-143.870000112.4K175L173-K175 VanDerWaalsContact CD2-CE 3.43Å; L173-K175 HydrophobicContact CD2-CG 4.46Å; L173-K175 HydrophobicContact CG-CG 4.29Å; L173-K175 PolarHBondContact O-N 2.74Å
174G49.5Very low56.8Low70 Ų70136.5 Ų136.572%0.72277%0.772SS**  trans-79100.2165.300000109.3D176G174-D176 PolarHBondContact O-N 2.84Å
175K54.5Low56.8Low176 Ų176139.6 Ų139.677%0.76578%0.777SS**  trans-78.2114.5176-64.8179.2-177.2-179.60109L173L173-K175 VanDerWaalsContact CD2-CE 3.43Å; L173-K175 HydrophobicContact CD2-CG 4.46Å; L173-K175 HydrophobicContact CG-CG 4.29Å; L173-K175 PolarHBondContact O-N 2.74Å
176D57.9Low56.3Low158 Ų158146.9 Ų146.985%0.84580%0.797SS**  trans-61.1128.9169.3-136.2-27.6000109.6G174G174-D176 PolarHBondContact O-N 2.84Å
177R62.7Low56.5Low202 Ų202147.8 Ų147.876%0.76280%0.798SS**  trans-122.8104-179.9-179.1178.1172.4168.2-2.5108.6E179R177-E179 IonicContact CZ-OE1 3.18Å; R177-E179 VanDerWaalsContact CZ-OE1 3.32Å; R177-E179 IonicContact NE-OE1 3.2Å; R177-E179 PolarHBondContact NE-OE1 3.38Å; R177-E179 IonicContact NH2-OE1 3.13Å; R177-E179 PolarHBondContact NH2-OE1 3.35Å
178T63Low56.5Low122 Ų122150.1 Ų150.175%0.74880%0.802SS**PPolyproline II helixtrans-101.6118.8171.9-56.30000108.6
179E63.8Low56.5Low138 Ų138147.8 Ų147.865%0.64580%0.8SS**PPolyproline II helixtrans-93.8124.9169.1-67.8-171.6169.900109.3R177R177-E179 IonicContact CZ-OE1 3.18Å; R177-E179 VanDerWaalsContact CZ-OE1 3.32Å; R177-E179 IonicContact NE-OE1 3.2Å; R177-E179 PolarHBondContact NE-OE1 3.38Å; R177-E179 IonicContact NH2-OE1 3.13Å; R177-E179 PolarHBondContact NH2-OE1 3.35Å
180P70.3Confident56.3Low110 Ų110150.1 Ų150.171%0.71481%0.806SS**PPolyproline II helixtrans-76.8134.1178.728.8-32000111.5T182P180-T182 PolarHBondContact O-N 2.92Å
181V66.4Low55.9Low152 Ų152151.1 Ų151.192%0.92180%0.802SS**PPolyproline II helixtrans-60.1120172.1-120.90000110.5
182T60.4Low56.2Low131 Ų131153 Ų15380%0.80481%0.806SS**  trans-116.3107.9170.551.40000110.9P180P180-T182 PolarHBondContact O-N 2.92Å
183G47.4Very low57Low77 Ų77151.4 Ų151.479%0.79481%0.808SS**  70.597.4117.500000118.4
184F52.6Low57.5Low194 Ų194152.7 Ų152.785%0.85182%0.816SS**  trans-44.8137154-165.7-90.8000113.5
185Q52.8Low58.1Low191 Ų191159.6 Ų159.689%0.89382%0.824SS**  trans-154.9109.5155.9-126.9171.2-6.800113.6
186K45.7Very low58.5Low264 Ų264158.1 Ų158.1100%1.14883%0.83SS**  trans60.60159.5-107.3-176.8177.6-174.30121.1

Retrieved 186 of 186 residues in 348.1 ms (Link to these results)

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