A0A3Q0KEI5_SCHMA Loading...

Putative nadh-ubiquinone oxidoreductase ashi subunit

AlphaFold DB , UniProt , Accession A0A3Q0KEI5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 154 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
1M38.8Very low71.2Confident233 Ų233129.5 Ų129.5100%1.14862%0.617SS**  0119.90-92.275.1178.300108.3Y3M1-Y3 PolarHBondContact O-N 3.14Å; M1-Y3 VanDerWaalsContact O-N 3.11Å
2A46.2Very low72.8Confident80 Ų80128.3 Ų128.366%0.66163%0.627SS**  trans-59.3115.5165.800000107.8Y4A2-Y4 HydrophobicContact CB-CD2 4.45Å; A2-Y4 HydrophobicContact CB-CE2 3.99Å; A2-Y4 PolarHBondContact O-N 3.47Å; A2-Y4 VanDerWaalsContact O-N 3.08Å
3Y54.5Low74.3Confident169 Ų169123.1 Ų123.166%0.66360%0.597SS**  trans-77.393.3-178.4168.8-99000108.3M1 H5M1-Y3 PolarHBondContact O-N 3.14Å; M1-Y3 VanDerWaalsContact O-N 3.11Å; Y3-H5 HydrophobicContact CE1-CB 3.89Å; Y3-H5 AromaticContact CE1-CD2 3.56Å; Y3-H5 AromaticContact CZ-CD2 3.52Å; Y3-H5 PolarHBondContact O-N 2.74Å; Y3-H5 PolarHBondContact OH-CD2 3.07Å; Y3-H5 PolarHBondContact OH-NE2 3.41Å
4Y67.3Low75.6Confident177 Ų177114.6 Ų114.669%0.69456%0.557SS**  trans-76.9110.7165.2-67.6-79.9000107.6A2 I6 W8A2-Y4 HydrophobicContact CB-CD2 4.45Å; A2-Y4 HydrophobicContact CB-CE2 3.99Å; A2-Y4 PolarHBondContact O-N 3.47Å; A2-Y4 VanDerWaalsContact O-N 3.08Å; Y4-I6 PolarHBondContact O-N 3.07Å; Y4-W8 HydrophobicContact CD1-CE3 4.19Å; Y4-W8 HydrophobicContact CD1-CZ3 4.43Å
5H72.3Confident76.6Confident66 Ų66113.2 Ų113.231%0.30656%0.562SS.*  trans-62.1135.5175.1-160.1-75.7000108.6Y3 D7 W8Y3-H5 HydrophobicContact CE1-CB 3.89Å; Y3-H5 AromaticContact CE1-CD2 3.56Å; Y3-H5 AromaticContact CZ-CD2 3.52Å; Y3-H5 PolarHBondContact O-N 2.74Å; Y3-H5 PolarHBondContact OH-CD2 3.07Å; Y3-H5 PolarHBondContact OH-NE2 3.41Å; H5-D7 VanDerWaalsContact CE1-CG 3.48Å; H5-D7 IonicContact CE1-OD2 2.9Å; H5-D7 PolarHBondContact CE1-OD2 3.23Å; H5-D7 WeakPolarHBondContact ND1-CB 3.49Å; H5-D7 VanDerWaalsContact ND1-CG 3.29Å; H5-D7 PolarHBondContact ND1-N 3.18Å; H5-D7 IonicContact ND1-OD2 3.1Å; H5-D7 PolarHBondContact ND1-OD2 2.94Å; H5-D7 VanDerWaalsContact ND1-OD2 3.1Å; H5-D7 PolarHBondContact O-N 3.45Å; H5-W8 HydrophobicContact CB-CD2 4.18Å; H5-W8 HydrophobicContact CB-CG 4.38Å; H5-W8 WeakPolarHBondContact O-CB 3.46Å; H5-W8 PolarHBondContact O-N 3.1Å
6I77.9Confident77.7Confident130 Ų130110.4 Ų110.467%0.66755%0.553SS**G310 helixtrans-55.1-30.7-177.2-64.1167.9000111.2Y4 W8 K9Y4-I6 PolarHBondContact O-N 3.07Å; I6-W8 PolarHBondContact O-N 3.28Å; I6-K9 WeakPolarHBondContact O-CB 3.38Å; I6-K9 PolarHBondContact O-N 2.77Å
7D79.3Confident78.6Confident88 Ų88113.3 Ų113.347%0.47156%0.561SS.*G310 helixtrans-65.7-16.2179-64.9-20.2000115.3H5 R26H5-D7 VanDerWaalsContact CE1-CG 3.48Å; H5-D7 IonicContact CE1-OD2 2.9Å; H5-D7 PolarHBondContact CE1-OD2 3.23Å; H5-D7 WeakPolarHBondContact ND1-CB 3.49Å; H5-D7 VanDerWaalsContact ND1-CG 3.29Å; H5-D7 PolarHBondContact ND1-N 3.18Å; H5-D7 IonicContact ND1-OD2 3.1Å; H5-D7 PolarHBondContact ND1-OD2 2.94Å; H5-D7 VanDerWaalsContact ND1-OD2 3.1Å; H5-D7 PolarHBondContact O-N 3.45Å; D7-R26 WeakPolarHBondContact O-CD 3.34Å; D7-R26 PolarHBondContact O-NH1 3.28Å
8W81.5Confident79.4Confident162 Ų162110.8 Ų110.861%0.61456%0.561SS**G310 helixtrans-84.8-11.6176.9-61.7-12.7000113Y4 H5 I6Y4-W8 HydrophobicContact CD1-CE3 4.19Å; Y4-W8 HydrophobicContact CD1-CZ3 4.43Å; H5-W8 HydrophobicContact CB-CD2 4.18Å; H5-W8 HydrophobicContact CB-CG 4.38Å; H5-W8 WeakPolarHBondContact O-CB 3.46Å; H5-W8 PolarHBondContact O-N 3.1Å; I6-W8 PolarHBondContact O-N 3.28Å
9K86Confident80.2Confident134 Ų134109.8 Ų109.858%0.58355%0.554SS**SBendtrans-68.2145176.8-66.6-175.7176.9-175.70110.5I6 R26I6-K9 WeakPolarHBondContact O-CB 3.38Å; I6-K9 PolarHBondContact O-N 2.77Å; K9-R26 WeakPolarHBondContact O-CD 3.36Å
10P88.6Confident80.8Confident80 Ų80109.8 Ų109.852%0.51955%0.547SS..  trans-53.4142.7169.3-25.934.6000111.6Y27 D46P10-Y27 WeakPolarHBondContact CB-OH 3.36Å; P10-D46 WeakPolarHBondContact CA-OD1 3.21Å; P10-D46 WeakPolarHBondContact CB-OD1 3.23Å
11K90.2Very high81.5Confident106 Ų106108.9 Ų108.946%0.46154%0.541SS..  trans-109.6170.1178.4-71.2-170.2179.7-174.40110.7G45 D46K11-G45 CarbonylContact O-C 3.51Å; K11-G45 WeakPolarHBondContact O-CA 3.45Å; K11-D46 PolarHBondContact N-OD1 3.32Å; K11-D46 PolarHBondContact N-OD2 3.41Å; K11-D46 PolarHBondContact O-N 3.34Å
12P90.7Very high84Confident114 Ų114100.3 Ų100.374%0.7451%0.507SS*.SBendtrans-57.5164.2169.5-24.235.3000112.3
13Y92.7Very high86.3Confident61 Ų6196.5 Ų96.524%0.23948%0.476CS..  trans-52128.6-177-176.5-99.6000112.7C15 P36 F37 N39Y13-C15 PolarHBondContact O-N 3.18Å; Y13-P36 HydrophobicContact CD2-CB 4.25Å; Y13-P36 HydrophobicContact CE2-CB 3.69Å; Y13-P36 HydrophobicContact CE2-CG 3.74Å; Y13-F37 WeakPolarHBondContact CE2-O 3.43Å; Y13-N39 HydrophobicContact CD1-CB 4.1Å; Y13-N39 HydrophobicContact CD2-CB 4.25Å; Y13-N39 HydrophobicContact CE1-CB 3.92Å; Y13-N39 HydrophobicContact CE2-CB 4.11Å; Y13-N39 HydrophobicContact CG-CB 4.24Å
14P92.1Very high88.1Confident5 Ų588.4 Ų88.43%0.03244%0.444CS..  trans-79.5110.2-175.631.6-35.8000111.7E19 R20 Y34 P36 D46P14-E19 HydrophobicContact CB-CB 3.81Å; P14-R20 HydrophobicContact CB-CG 3.75Å; P14-R20 HydrophobicContact CG-CG 3.88Å; P14-R20 PolarHBondContact O-NE 3.22Å; P14-Y34 HydrophobicContact CG-CE1 4.2Å; P14-Y34 WeakPolarHBondContact CG-OH 3.23Å; P14-P36 HydrophobicContact CG-CB 4.35Å; P14-P36 HydrophobicContact CG-CG 4.43Å; P14-D46 HydrophobicContact CG-CB 4.41Å
15C90.8Very high89.3Confident93 Ų9388.1 Ų88.163%0.62845%0.447SS*.  trans-85.3-33.9-179.1-69.10000112.1Y13 E19Y13-C15 PolarHBondContact O-N 3.18Å; C15-E19 PolarHBondContact N-OE2 3.48Å; C15-E19 VanDerWaalsContact N-OE2 3.13Å
16T93.9Very high90.2Very high68 Ų6887.2 Ų87.242%0.41744%0.441SS..SBendtrans-98.5156.8-176.6670000112.9A18 E19 R20T16-A18 VanDerWaalsContact C-N 3.32Å; T16-A18 PolarHBondContact O-N 3.3Å; T16-E19 PolarHBondContact N-OE2 3.09Å; T16-E19 PolarHBondContact O-N 3.23Å; T16-E19 WeakPolarHBondContact OG1-CB 3.34Å; T16-E19 WeakPolarHBondContact OG1-CG 3.49Å; T16-E19 PolarHBondContact OG1-N 2.9Å; T16-E19 PolarHBondContact OG1-OE2 3.02Å; T16-R20 WeakPolarHBondContact O-CG 3.46Å; T16-R20 PolarHBondContact O-N 3.42Å
17K93.5Very high90.9Very high160 Ų16082.3 Ų82.370%0.69641%0.414SS*.Hα-helixtrans-60.7-41.3176.1-174.9177.7174.6-175.40112.2E19 R20 E21K17-E19 VanDerWaalsContact C-N 3.35Å; K17-E19 PolarHBondContact O-N 3.16Å; K17-R20 PolarHBondContact O-N 3.45Å; K17-E21 WeakPolarHBondContact CE-OE1 3.3Å; K17-E21 WeakPolarHBondContact O-CG 3.44Å; K17-E21 PolarHBondContact O-N 3.45Å
18A93.6Very high91.5Very high68 Ų6883.3 Ų83.356%0.56242%0.419SS*.Hα-helixtrans-63.5-39.4177.800000112.1T16 E21 A22T16-A18 VanDerWaalsContact C-N 3.32Å; T16-A18 PolarHBondContact O-N 3.3Å; A18-E21 PolarHBondContact O-N 3.45Å; A18-A22 WeakPolarHBondContact O-CB 3.17Å; A18-A22 PolarHBondContact O-N 2.87Å
19E93.2Very high92.1Very high93 Ų9377.3 Ų77.344%0.43540%0.399SS..Hα-helixtrans-65.7-38.5174.2-74.5164.5162.200112.2P14 C15 T16 K17 A22 A23P14-E19 HydrophobicContact CB-CB 3.81Å; C15-E19 PolarHBondContact N-OE2 3.48Å; C15-E19 VanDerWaalsContact N-OE2 3.13Å; T16-E19 PolarHBondContact N-OE2 3.09Å; T16-E19 PolarHBondContact O-N 3.23Å; T16-E19 WeakPolarHBondContact OG1-CB 3.34Å; T16-E19 WeakPolarHBondContact OG1-CG 3.49Å; T16-E19 PolarHBondContact OG1-N 2.9Å; T16-E19 PolarHBondContact OG1-OE2 3.02Å; K17-E19 VanDerWaalsContact C-N 3.35Å; K17-E19 PolarHBondContact O-N 3.16Å; E19-A22 PolarHBondContact O-N 2.95Å; E19-A23 WeakPolarHBondContact O-CB 3.01Å; E19-A23 PolarHBondContact O-N 3.34Å
20R93.1Very high92.4Very high109 Ų10976.1 Ų76.141%0.41140%0.398SS..Hα-helixtrans-65.2-42.5175.6-68.5-178-169.8174.33.3112.2P14 T16 K17 A23 A24 Y34P14-R20 HydrophobicContact CB-CG 3.75Å; P14-R20 HydrophobicContact CG-CG 3.88Å; P14-R20 PolarHBondContact O-NE 3.22Å; T16-R20 WeakPolarHBondContact O-CG 3.46Å; T16-R20 PolarHBondContact O-N 3.42Å; K17-R20 PolarHBondContact O-N 3.45Å; R20-A23 PolarHBondContact O-N 2.9Å; R20-A24 WeakPolarHBondContact O-CB 3.48Å; R20-A24 PolarHBondContact O-N 3.35Å; R20-Y34 HydrophobicContact CB-CD1 4.31Å; R20-Y34 HydrophobicContact CB-CE1 4.17Å; R20-Y34 HydrophobicContact CG-CE1 4.27Å
21E94.3Very high92.6Very high90 Ų9076.3 Ų76.342%0.42140%0.4SS..Hα-helixtrans-64.9-39.8175.6-72.2173.3-174.700111.7K17 A18 K25 P31K17-E21 WeakPolarHBondContact CE-OE1 3.3Å; K17-E21 WeakPolarHBondContact O-CG 3.44Å; K17-E21 PolarHBondContact O-N 3.45Å; A18-E21 PolarHBondContact O-N 3.45Å; E21-K25 PolarHBondContact O-N 3.19Å; E21-P31 HydrophobicContact CG-CB 4.38Å
22A92.7Very high92.8Very high53 Ų5375.4 Ų75.444%0.43841%0.407SS..Hα-helixtrans-67-35.6174.400000112.7A18 E19 R26A18-A22 WeakPolarHBondContact O-CB 3.17Å; A18-A22 PolarHBondContact O-N 2.87Å; E19-A22 PolarHBondContact O-N 2.95Å; A22-R26 PolarHBondContact O-N 2.97Å; A22-R26 VanDerWaalsContact O-N 3.1Å
23A93.4Very high93Very high0 Ų074.5 Ų74.50%040%0.395CS..Hα-helixtrans-69-46.2174.400000111.6E19 R20 K25 R26 Y27 Y34 D46E19-A23 WeakPolarHBondContact O-CB 3.01Å; E19-A23 PolarHBondContact O-N 3.34Å; R20-A23 PolarHBondContact O-N 2.9Å; A23-K25 VanDerWaalsContact C-N 3.27Å; A23-K25 PolarHBondContact O-N 3.19Å; A23-R26 WeakPolarHBondContact O-CB 3.36Å; A23-R26 PolarHBondContact O-N 3.05Å; A23-Y27 VanDerWaalsContact O-CD2 3.25Å; A23-Y27 WeakPolarHBondContact O-CD2 3.27Å; A23-Y27 PolarHBondContact O-N 3.41Å; A23-Y27 VanDerWaalsContact O-N 3.1Å; A23-Y34 HydrophobicContact CB-CE1 4.03Å; A23-Y34 HydrophobicContact CB-CE2 3.99Å; A23-Y34 WeakPolarHBondContact CB-OH 3.45Å; A23-D46 HydrophobicContact CB-CB 4.34Å
24A93.7Very high93.1Very high0 Ų072.3 Ų72.30%039%0.387CS..Hα-helixtrans-53.7-4617400000111.2R20 R26 Y27 N28 L29 Y34R20-A24 WeakPolarHBondContact O-CB 3.48Å; R20-A24 PolarHBondContact O-N 3.35Å; A24-R26 VanDerWaalsContact C-N 3.35Å; A24-R26 PolarHBondContact O-N 3.34Å; A24-Y27 PolarHBondContact O-N 3.45Å; A24-N28 PolarHBondContact O-N 2.85Å; A24-L29 CarbonylContact C-O 3.6Å; A24-L29 PolarHBondContact O-N 2.88Å; A24-Y34 HydrophobicContact CB-CD1 4.43Å; A24-Y34 HydrophobicContact CB-CD2 4.39Å; A24-Y34 HydrophobicContact CB-CG 3.9Å
25K92.2Very high93.1Very high170 Ų17078.4 Ų78.474%0.73941%0.413SS*.Hα-helixtrans-62.6-36.2175.6-170.4177.3-179.4-179.80113.4E21 A23 N28E21-K25 PolarHBondContact O-N 3.19Å; A23-K25 VanDerWaalsContact C-N 3.27Å; A23-K25 PolarHBondContact O-N 3.19Å; K25-N28 PolarHBondContact O-N 3.47Å
26R91.2Very high93.2Very high48 Ų4875.2 Ų75.218%0.18139%0.391CS..Hα-helixtrans-65.7-37.5177.3165.5172.839.3-94-7.4112.1D7 K9 A22 A23 A24 D46D7-R26 WeakPolarHBondContact O-CD 3.34Å; D7-R26 PolarHBondContact O-NH1 3.28Å; K9-R26 WeakPolarHBondContact O-CD 3.36Å; A22-R26 PolarHBondContact O-N 2.97Å; A22-R26 VanDerWaalsContact O-N 3.1Å; A23-R26 WeakPolarHBondContact O-CB 3.36Å; A23-R26 PolarHBondContact O-N 3.05Å; A24-R26 VanDerWaalsContact C-N 3.35Å; A24-R26 PolarHBondContact O-N 3.34Å; R26-D46 IonicContact CZ-OD2 3.18Å; R26-D46 IonicContact NE-OD2 3.5Å; R26-D46 PolarHBondContact NE-OD2 3.38Å; R26-D46 IonicContact NH2-OD2 3.71Å; R26-D46 PolarHBondContact NH2-OD2 2.8Å
27Y92.1Very high93.1Very high27 Ų2774.1 Ų74.111%0.10638%0.381CS..THydrogen-bonded Turntrans-91.910.2179.2-65.6-74.2000113.9P10 A23 A24 L29 Y34 D46 Y47 F48P10-Y27 WeakPolarHBondContact CB-OH 3.36Å; A23-Y27 VanDerWaalsContact O-CD2 3.25Å; A23-Y27 WeakPolarHBondContact O-CD2 3.27Å; A23-Y27 PolarHBondContact O-N 3.41Å; A23-Y27 VanDerWaalsContact O-N 3.1Å; A24-Y27 PolarHBondContact O-N 3.45Å; Y27-L29 PolarHBondContact O-N 3.05Å; Y27-Y34 HydrophobicContact CD2-CE2 4.14Å; Y27-Y34 HydrophobicContact CE2-CE2 4.5Å; Y27-D46 WeakPolarHBondContact CE2-O 3.43Å; Y27-D46 PolarHBondContact OH-OD1 3.12Å; Y27-Y47 AromaticContact CE1-CD2 3.92Å; Y27-Y47 HydrophobicContact CE1-CD2 3.92Å; Y27-Y47 HydrophobicContact CE1-CE2 4.07Å; Y27-F48 HydrophobicContact CD1-CD1 4.19Å; Y27-F48 HydrophobicContact CG-CD1 4.27Å
28N92.3Very high93Very high108 Ų10874 Ų7458%0.57838%0.382SS*.THydrogen-bonded Turntrans55.431.9-174.9-56.2-46.7000114.1A24 K25A24-N28 PolarHBondContact O-N 2.85Å; K25-N28 PolarHBondContact O-N 3.47Å
29L93.2Very high92.6Very high37 Ų3775.3 Ų75.319%0.19438%0.38CS..  trans-102151.7178.6-69.9170.7000111.2A24 Y27 Y34 F48 P76A24-L29 CarbonylContact C-O 3.6Å; A24-L29 PolarHBondContact O-N 2.88Å; Y27-L29 PolarHBondContact O-N 3.05Å; L29-Y34 HydrophobicContact CD1-CD2 4.15Å; L29-F48 HydrophobicContact CD1-CB 3.64Å; L29-F48 HydrophobicContact CD1-CD1 4.05Å; L29-F48 HydrophobicContact CD1-CD2 3.81Å; L29-F48 HydrophobicContact CD1-CG 3.54Å; L29-P76 HydrophobicContact CD2-CG 3.75Å; L29-P76 HydrophobicContact CG-CG 4.19Å
30L93.9Very high92.3Very high109 Ų10977 Ų7757%0.57139%0.392SS*.  trans-67.1143.9167.4-67.7171.1000109.8S32 D33 Y34L30-S32 PolarHBondContact O-N 2.85Å; L30-S32 VanDerWaalsContact O-N 3.08Å; L30-D33 HydrophobicContact CB-CB 4.36Å; L30-D33 PolarHBondContact O-N 2.88Å; L30-Y34 PolarHBondContact O-N 3.45Å
31P92.6Very high91.8Very high84 Ų8475.1 Ų75.155%0.54541%0.407SS..THydrogen-bonded Turntrans-57.9-23.7176.1-26.535.1000114.3E21E21-P31 HydrophobicContact CG-CB 4.38Å
32S94.1Very high91.4Very high87 Ų8778.9 Ų78.961%0.60843%0.429SS*.THydrogen-bonded Turntrans-73.2-33.2174.853.80000113.6L30L30-S32 PolarHBondContact O-N 2.85Å; L30-S32 VanDerWaalsContact O-N 3.08Å
33D93.7Very high90.8Very high94 Ų9477.6 Ų77.650%0.50342%0.418SS..THydrogen-bonded Turntrans-94.1-21.8-171.1-59.4-7.5000110.7L30 K35L30-D33 HydrophobicContact CB-CB 4.36Å; L30-D33 PolarHBondContact O-N 2.88Å; D33-K35 PolarHBondContact O-N 3.45Å
34Y94.5Very high90.6Very high15 Ų1579.3 Ų79.36%0.05943%0.429CS..  trans-68.2110.3174.4179.6-98.8000111.6P14 R20 A23 A24 Y27 L29 L30 P36 D46 F48P14-Y34 HydrophobicContact CG-CE1 4.2Å; P14-Y34 WeakPolarHBondContact CG-OH 3.23Å; R20-Y34 HydrophobicContact CB-CD1 4.31Å; R20-Y34 HydrophobicContact CB-CE1 4.17Å; R20-Y34 HydrophobicContact CG-CE1 4.27Å; A23-Y34 HydrophobicContact CB-CE1 4.03Å; A23-Y34 HydrophobicContact CB-CE2 3.99Å; A23-Y34 WeakPolarHBondContact CB-OH 3.45Å; A24-Y34 HydrophobicContact CB-CD1 4.43Å; A24-Y34 HydrophobicContact CB-CD2 4.39Å; A24-Y34 HydrophobicContact CB-CG 3.9Å; Y27-Y34 HydrophobicContact CD2-CE2 4.14Å; Y27-Y34 HydrophobicContact CE2-CE2 4.5Å; L29-Y34 HydrophobicContact CD1-CD2 4.15Å; L30-Y34 PolarHBondContact O-N 3.45Å; Y34-P36 HydrophobicContact CE1-CB 4.44Å; Y34-P36 HydrophobicContact CE1-CG 4.46Å; Y34-D46 PolarHBondContact OH-O 2.92Å; Y34-F48 HydrophobicContact CD2-CB 3.9Å; Y34-F48 HydrophobicContact CE2-CB 3.96Å
35K93.1Very high90.4Very high133 Ų13380.1 Ų80.158%0.57844%0.437SS*.  trans-122.6119.5171.4-64.9176.4-175.5173.90107.9D33 F48 Y49D33-K35 PolarHBondContact O-N 3.45Å; K35-F48 CarbonylContact O-C 3.47Å; K35-F48 WeakPolarHBondContact O-CA 3.38Å; K35-Y49 WeakPolarHBondContact O-CB 3.23Å; K35-Y49 PolarHBondContact O-N 3.35Å
36P92.5Very high90.4Very high27 Ų2772 Ų7218%0.17540%0.402CS..BIsolated β-bridgetrans-75.8163173.133.4-35.4000110.8Y13 P14 Y34Y13-P36 HydrophobicContact CD2-CB 4.25Å; Y13-P36 HydrophobicContact CE2-CB 3.69Å; Y13-P36 HydrophobicContact CE2-CG 3.74Å; P14-P36 HydrophobicContact CG-CB 4.35Å; P14-P36 HydrophobicContact CG-CG 4.43Å; Y34-P36 HydrophobicContact CE1-CB 4.44Å; Y34-P36 HydrophobicContact CE1-CG 4.46Å
37F92.7Very high90.5Very high45 Ų4571.9 Ų71.920%0.19740%0.402CS..PPolyproline II helixtrans-61.4152.8169.4-76.8-97.4000111.7Y13 N39 A43 P44 Y47 F48 Y49 F79Y13-F37 WeakPolarHBondContact CE2-O 3.43Å; F37-N39 PolarHBondContact O-N 2.9Å; F37-A43 HydrophobicContact CB-CB 4.13Å; F37-P44 HydrophobicContact CB-CG 4.42Å; F37-P44 HydrophobicContact CD1-CG 4.45Å; F37-P44 HydrophobicContact CD2-CG 3.41Å; F37-P44 VanDerWaalsContact CD2-CG 3.41Å; F37-P44 HydrophobicContact CE2-CG 3.67Å; F37-P44 HydrophobicContact CG-CG 3.85Å; F37-P44 HydrophobicContact CZ-CG 4.29Å; F37-Y47 HydrophobicContact CE2-CD1 4.1Å; F37-F48 WeakPolarHBondContact CE2-O 3.26Å; F37-Y49 AromaticContact CD1-CD2 3.86Å; F37-Y49 HydrophobicContact CD1-CD2 3.86Å; F37-Y49 AromaticContact CE1-CD2 3.55Å; F37-Y49 HydrophobicContact CE1-CD2 3.55Å; F37-Y49 HydrophobicContact CE1-CE2 4.24Å; F37-Y49 HydrophobicContact CE2-CD2 4.41Å; F37-Y49 HydrophobicContact CG-CD2 4.44Å; F37-Y49 AromaticContact CZ-CD2 3.85Å; F37-Y49 HydrophobicContact CZ-CD2 3.85Å; F37-F79 HydrophobicContact CE2-CB 4.14Å; F37-F79 HydrophobicContact CZ-CB 3.67Å; F37-F79 HydrophobicContact CZ-CG 4.09Å
38E89.9Confident90.6Very high156 Ų15671.1 Ų71.173%0.72940%0.399SS*.PPolyproline II helixtrans-62.1136.2175.7-66.1-179.2-177.400111.3D40 A43E38-D40 VanDerWaalsContact C-N 3.27Å; E38-D40 PolarHBondContact O-N 3.15Å; E38-A43 WeakPolarHBondContact O-CB 3.46Å
39N86.4Confident90.6Very high97 Ų9771.4 Ų71.452%0.51939%0.393SS..  trans-82.468.1-173.1-171.417.6000112.2Y13 F37 G41Y13-N39 HydrophobicContact CD1-CB 4.1Å; Y13-N39 HydrophobicContact CD2-CB 4.25Å; Y13-N39 HydrophobicContact CE1-CB 3.92Å; Y13-N39 HydrophobicContact CE2-CB 4.11Å; Y13-N39 HydrophobicContact CG-CB 4.24Å; F37-N39 PolarHBondContact O-N 2.9Å; N39-G41 VanDerWaalsContact C-N 3.28Å; N39-G41 PolarHBondContact O-N 3.3Å
40D86.9Confident90.6Very high129 Ų12971.9 Ų71.969%0.6940%0.398SS*.SBendtrans-92.417.3177.9-65-20.3000112.6E38 L42E38-D40 VanDerWaalsContact C-N 3.27Å; E38-D40 PolarHBondContact O-N 3.15Å; D40-L42 PolarHBondContact O-N 3.37Å
41G83.1Confident90.5Very high69 Ų6974 Ų7471%0.71141%0.405SS*.SBendtrans77-12.4-174.700000115N39N39-G41 VanDerWaalsContact C-N 3.28Å; N39-G41 PolarHBondContact O-N 3.3Å
42L85.2Confident90.4Very high169 Ų16972.2 Ų72.289%0.88539%0.393SS*.  trans-101.92.3172.7-69.1171.3000113.1D40D40-L42 PolarHBondContact O-N 3.37Å
43A80.4Confident90.4Very high25 Ų2571.2 Ų71.221%0.20738%0.376CS..SBendtrans-63136.9-179.500000111.1F37 E38 G45F37-A43 HydrophobicContact CB-CB 4.13Å; E38-A43 WeakPolarHBondContact O-CB 3.46Å; A43-G45 PolarHBondContact O-N 3.16Å
44P88.1Confident90.4Very high36 Ų3666.8 Ų66.823%0.23435%0.353CS..  trans-73.648.8176.232.2-37.7000113.1F37 D46 Y47 F79F37-P44 HydrophobicContact CB-CG 4.42Å; F37-P44 HydrophobicContact CD1-CG 4.45Å; F37-P44 HydrophobicContact CD2-CG 3.41Å; F37-P44 VanDerWaalsContact CD2-CG 3.41Å; F37-P44 HydrophobicContact CE2-CG 3.67Å; F37-P44 HydrophobicContact CG-CG 3.85Å; F37-P44 HydrophobicContact CZ-CG 4.29Å; P44-D46 PolarHBondContact O-N 3.07Å; P44-Y47 WeakPolarHBondContact O-CB 3.32Å; P44-Y47 PolarHBondContact O-N 2.86Å; P44-F79 HydrophobicContact CB-CD2 3.85Å; P44-F79 HydrophobicContact CB-CE2 3.39Å; P44-F79 HydrophobicContact CB-CZ 4.09Å; P44-F79 HydrophobicContact CG-CD2 3.85Å; P44-F79 HydrophobicContact CG-CE2 3.82Å; P44-F79 HydrophobicContact CG-CZ 4.42Å
45G90.3Very high90.3Very high17 Ų1766.9 Ų66.918%0.17535%0.354CS..THydrogen-bonded Turntrans64.9-125.2178.700000112.9K11 A43 Y47K11-G45 CarbonylContact O-C 3.51Å; K11-G45 WeakPolarHBondContact O-CA 3.45Å; A43-G45 PolarHBondContact O-N 3.16Å; G45-Y47 VanDerWaalsContact C-N 3.34Å
46D93Very high90.2Very high1 Ų164.3 Ų64.31%0.00535%0.345CS..THydrogen-bonded Turntrans-91.213.9177.977.7-17.2000114P10 K11 P14 A23 R26 Y27 Y34 P44P10-D46 WeakPolarHBondContact CA-OD1 3.21Å; P10-D46 WeakPolarHBondContact CB-OD1 3.23Å; K11-D46 PolarHBondContact N-OD1 3.32Å; K11-D46 PolarHBondContact N-OD2 3.41Å; K11-D46 PolarHBondContact O-N 3.34Å; P14-D46 HydrophobicContact CG-CB 4.41Å; A23-D46 HydrophobicContact CB-CB 4.34Å; R26-D46 IonicContact CZ-OD2 3.18Å; R26-D46 IonicContact NE-OD2 3.5Å; R26-D46 PolarHBondContact NE-OD2 3.38Å; R26-D46 IonicContact NH2-OD2 3.71Å; R26-D46 PolarHBondContact NH2-OD2 2.8Å; Y27-D46 WeakPolarHBondContact CE2-O 3.43Å; Y27-D46 PolarHBondContact OH-OD1 3.12Å; Y34-D46 PolarHBondContact OH-O 2.92Å; P44-D46 PolarHBondContact O-N 3.07Å
47Y93.2Very high90.2Very high44 Ų4466.3 Ų66.317%0.17336%0.359CS..PPolyproline II helixtrans-63.2141.7176.6-150.8-98.4000110.5Y27 F37 P44 G45 Q77 F79Y27-Y47 AromaticContact CE1-CD2 3.92Å; Y27-Y47 HydrophobicContact CE1-CD2 3.92Å; Y27-Y47 HydrophobicContact CE1-CE2 4.07Å; F37-Y47 HydrophobicContact CE2-CD1 4.1Å; P44-Y47 WeakPolarHBondContact O-CB 3.32Å; P44-Y47 PolarHBondContact O-N 2.86Å; G45-Y47 VanDerWaalsContact C-N 3.34Å; Y47-Q77 VanDerWaalsContact CE1-O 3.28Å; Y47-Q77 WeakPolarHBondContact CE1-O 3.39Å; Y47-Q77 PolarHBondContact OH-O 3.29Å; Y47-F79 HydrophobicContact CD1-CB 4.12Å; Y47-F79 HydrophobicContact CD1-CD2 4.2Å; Y47-F79 HydrophobicContact CE1-CB 4.01Å; Y47-F79 HydrophobicContact CE1-CD2 4.45Å
48F93.2Very high90.2Very high12 Ų1266.6 Ų66.65%0.05336%0.358CS..BIsolated β-bridgetrans-77.4140.4179.175.3-77.6000110.5Y27 L29 Y34 K35 F37 V50 P76 Q77Y27-F48 HydrophobicContact CD1-CD1 4.19Å; Y27-F48 HydrophobicContact CG-CD1 4.27Å; L29-F48 HydrophobicContact CD1-CB 3.64Å; L29-F48 HydrophobicContact CD1-CD1 4.05Å; L29-F48 HydrophobicContact CD1-CD2 3.81Å; L29-F48 HydrophobicContact CD1-CG 3.54Å; Y34-F48 HydrophobicContact CD2-CB 3.9Å; Y34-F48 HydrophobicContact CE2-CB 3.96Å; K35-F48 CarbonylContact O-C 3.47Å; K35-F48 WeakPolarHBondContact O-CA 3.38Å; F37-F48 WeakPolarHBondContact CE2-O 3.26Å; F48-V50 HydrophobicContact CD2-CB 4.21Å; F48-V50 HydrophobicContact CD2-CG1 4.26Å; F48-V50 HydrophobicContact CE2-CB 3.92Å; F48-V50 HydrophobicContact CE2-CG1 3.63Å; F48-V50 HydrophobicContact CZ-CG1 4.43Å; F48-P76 HydrophobicContact CD1-CB 4.26Å; F48-P76 HydrophobicContact CE1-CB 3.5Å; F48-P76 HydrophobicContact CE2-CB 4.26Å; F48-P76 HydrophobicContact CZ-CB 3.5Å; F48-P76 VanDerWaalsContact CZ-CB 3.5Å; F48-P76 HydrophobicContact CZ-CG 4.27Å; F48-Q77 WeakPolarHBondContact CE1-O 3.49Å; F48-Q77 WeakPolarHBondContact CZ-O 3.49Å
49Y93.5Very high90.3Very high113 Ų11361.7 Ų61.744%0.44334%0.341SS..PPolyproline II helixtrans-91.3132.5170.6177.5-101.1000109.2K35 F37K35-Y49 WeakPolarHBondContact O-CB 3.23Å; K35-Y49 PolarHBondContact O-N 3.35Å; F37-Y49 AromaticContact CD1-CD2 3.86Å; F37-Y49 HydrophobicContact CD1-CD2 3.86Å; F37-Y49 AromaticContact CE1-CD2 3.55Å; F37-Y49 HydrophobicContact CE1-CD2 3.55Å; F37-Y49 HydrophobicContact CE1-CE2 4.24Å; F37-Y49 HydrophobicContact CE2-CD2 4.41Å; F37-Y49 HydrophobicContact CG-CD2 4.44Å; F37-Y49 AromaticContact CZ-CD2 3.85Å; F37-Y49 HydrophobicContact CZ-CD2 3.85Å
50V92.2Very high90.6Very high48 Ų4860.7 Ų60.729%0.29134%0.34SS..  trans-134.3145.2171.955.80000107.6F48 Y53 Q78F48-V50 HydrophobicContact CD2-CB 4.21Å; F48-V50 HydrophobicContact CD2-CG1 4.26Å; F48-V50 HydrophobicContact CE2-CB 3.92Å; F48-V50 HydrophobicContact CE2-CG1 3.63Å; F48-V50 HydrophobicContact CZ-CG1 4.43Å; V50-Y53 HydrophobicContact CG2-CD1 4.36Å; V50-Y53 HydrophobicContact CG2-CE1 3.99Å; V50-Q78 HydrophobicContact CG1-CB 4.06Å; V50-Q78 HydrophobicContact CG1-CG 3.67Å
51E91.4Very high91Very high154 Ų15465.4 Ų65.472%0.7235%0.348SS*.  trans-57.1129.4175.2-171.1175.9177.600109.2Y53 Q78E51-Y53 WeakPolarHBondContact O-CD1 3.39Å; E51-Y53 PolarHBondContact O-N 2.78Å; E51-Q78 PolarHBondContact O-NE2 3.29Å
52P91.8Very high91.5Very high45 Ų4567.3 Ų67.329%0.29234%0.339SS..  trans-59.9127.4-176.521.7-32.7000110.9Y84 P91P52-Y84 HydrophobicContact CB-CD1 4.47Å; P52-Y84 HydrophobicContact CB-CD2 4.38Å; P52-Y84 HydrophobicContact CB-CE1 3.7Å; P52-Y84 HydrophobicContact CB-CE2 3.6Å; P52-Y84 WeakPolarHBondContact CB-OH 3.31Å; P52-P91 VanDerWaalsContact O-CG 3.28Å; P52-P91 WeakPolarHBondContact O-CG 3.48Å
53Y92.6Very high92Very high67 Ų6764.6 Ų64.626%0.26333%0.331SS..  trans-138.4144.8176.765-102.1000109.1V50 E51 R58 Q78 Y84V50-Y53 HydrophobicContact CG2-CD1 4.36Å; V50-Y53 HydrophobicContact CG2-CE1 3.99Å; E51-Y53 WeakPolarHBondContact O-CD1 3.39Å; E51-Y53 PolarHBondContact O-N 2.78Å; Y53-R58 HydrophobicContact CE2-CG 4.18Å; Y53-R58 PolarHBondContact OH-NE 3.15Å; Y53-R58 PolarHBondContact OH-NH2 2.84Å; Y53-Q78 HydrophobicContact CE1-CG 4.08Å; Y53-Q78 PolarHBondContact O-OE1 3.44Å; Y53-Y84 VanDerWaalsContact O-CB 3.31Å; Y53-Y84 WeakPolarHBondContact O-CB 3.34Å
54N93.9Very high92.7Very high1 Ų164.8 Ų64.81%0.00533%0.327CS..  trans-77.9146.3174.6-167.2-74000110.7E56 C57 Y84 L85 Y89 N90N54-E56 PolarHBondContact O-N 3.02Å; N54-E56 VanDerWaalsContact O-N 3.11Å; N54-E56 WeakPolarHBondContact OD1-CB 3.16Å; N54-E56 WeakPolarHBondContact OD1-CG 3.37Å; N54-E56 PolarHBondContact OD1-N 3.11Å; N54-C57 VanDerWaalsContact O-CB 3.25Å; N54-C57 WeakPolarHBondContact O-CB 3.33Å; N54-C57 PolarHBondContact O-N 3.4Å; N54-Y84 CarbonylContact C-O 3.58Å; N54-Y84 WeakPolarHBondContact CA-O 3.44Å; N54-Y84 PolarHBondContact ND2-O 3.4Å; N54-L85 PolarHBondContact ND2-O 3.38Å; N54-L85 PolarHBondContact OD1-O 2.89Å; N54-Y89 PolarHBondContact ND2-O 2.98Å; N54-N90 HydrophobicContact CB-CB 3.72Å; N54-N90 VanDerWaalsContact CB-CG 3.49Å
55T93Very high93.1Very high16 Ų1668 Ų6810%0.09834%0.342CS..G310 helixtrans-48.1-36.1170-61.50000112.7C57 R58 E69 R70 Y84 A86T55-C57 PolarHBondContact O-N 2.84Å; T55-C57 VanDerWaalsContact O-N 3.12Å; T55-R58 WeakPolarHBondContact O-CB 3.25Å; T55-R58 PolarHBondContact O-N 3.31Å; T55-E69 WeakPolarHBondContact CG2-O 3.44Å; T55-R70 HydrophobicContact CG2-CB 3.72Å; T55-R70 HydrophobicContact CG2-CG 3.85Å; T55-R70 WeakPolarHBondContact O-CD 2.97Å; T55-Y84 PolarHBondContact N-O 3.06Å; T55-Y84 PolarHBondContact OG1-O 2.97Å; T55-A86 HydrophobicContact CG2-CB 4.43Å
56E91.4Very high93.2Very high80 Ų8071.5 Ų71.537%0.37435%0.35SS..G310 helixtrans-56-25.5175.4-74.1-170.2151.200114.1N54 R58 R70 A86 N90N54-E56 PolarHBondContact O-N 3.02Å; N54-E56 VanDerWaalsContact O-N 3.11Å; N54-E56 WeakPolarHBondContact OD1-CB 3.16Å; N54-E56 WeakPolarHBondContact OD1-CG 3.37Å; N54-E56 PolarHBondContact OD1-N 3.11Å; E56-R58 VanDerWaalsContact C-N 3.31Å; E56-R70 VanDerWaalsContact C-NH1 3.31Å; E56-R70 PolarHBondContact O-NH1 3.06Å; E56-A86 HydrophobicContact CG-CB 4.23Å; E56-N90 PolarHBondContact OE2-ND2 3.43Å
57C91.3Very high93.2Very high69 Ų6976.1 Ų76.147%0.46638%0.38SS..G310 helixtrans-76.9-16179.4-61.70000113.2N54 T55N54-C57 VanDerWaalsContact O-CB 3.25Å; N54-C57 WeakPolarHBondContact O-CB 3.33Å; N54-C57 PolarHBondContact O-N 3.4Å; T55-C57 PolarHBondContact O-N 2.84Å; T55-C57 VanDerWaalsContact O-N 3.12Å
58R92.3Very high92.9Very high50 Ų5078.7 Ų78.719%0.18940%0.404CS..SBendtrans-76.5152.1173.7-65.5-173.5171-148.8-3110.6Y53 T55 E56 R70 D75Y53-R58 HydrophobicContact CE2-CG 4.18Å; Y53-R58 PolarHBondContact OH-NE 3.15Å; Y53-R58 PolarHBondContact OH-NH2 2.84Å; T55-R58 WeakPolarHBondContact O-CB 3.25Å; T55-R58 PolarHBondContact O-N 3.31Å; E56-R58 VanDerWaalsContact C-N 3.31Å; R58-R70 HydrophobicContact CB-CB 4.07Å; R58-R70 WeakPolarHBondContact CD-O 3.29Å; R58-R70 PolarHBondContact NH1-O 2.92Å; R58-R70 PolarHBondContact O-NH1 3.04Å; R58-D75 IonicContact CZ-OD2 3.18Å; R58-D75 IonicContact NH1-OD2 2.63Å; R58-D75 PolarHBondContact NH1-OD2 3.05Å; R58-D75 IonicContact NH2-OD2 3.02Å; R58-D75 PolarHBondContact NH2-OD2 3.12Å
59S93.1Very high92.8Very high54 Ų5481.1 Ų81.138%0.37842%0.416SS..  trans-55.1126-178178.60000111.3W61 Y64S59-W61 PolarHBondContact O-N 3.35Å; S59-W61 PolarHBondContact OG-N 2.92Å; S59-Y64 PolarHBondContact N-OH 3.33Å; S59-Y64 WeakPolarHBondContact O-CE2 3.3Å; S59-Y64 PolarHBondContact O-OH 3.02Å; S59-Y64 VanDerWaalsContact O-OH 3.06Å
60P92.7Very high92.7Very high75 Ų7578.5 Ų78.549%0.48741%0.406SS..THydrogen-bonded Turntrans-75.4-9.2177.931-35.2000113.6
61W94.5Very high92.7Very high229 Ų22978.2 Ų78.287%0.86740%0.399SS*.THydrogen-bonded Turntrans-100.4-9.4-171.3-52.8117.2000114S59S59-W61 PolarHBondContact O-N 3.35Å; S59-W61 PolarHBondContact OG-N 2.92Å
62E94.3Very high92.9Very high109 Ų10973.3 Ų73.351%0.50938%0.378SS..SBendtrans-75136.5178.2-163.765.2-149.100110Y64E62-Y64 VanDerWaalsContact C-N 3.26Å; E62-Y64 HydrophobicContact CB-CD1 4.47Å; E62-Y64 HydrophobicContact CB-CD2 4.28Å; E62-Y64 HydrophobicContact CB-CE1 3.98Å; E62-Y64 HydrophobicContact CB-CE2 3.8Å; E62-Y64 HydrophobicContact CG-CD1 4.4Å; E62-Y64 HydrophobicContact CG-CE1 4.04Å; E62-Y64 VanDerWaalsContact O-CD2 3.3Å; E62-Y64 WeakPolarHBondContact O-CD2 3.39Å; E62-Y64 PolarHBondContact O-N 3.36Å
63P95.1Very high92.9Very high111 Ų11177.3 Ų77.372%0.72139%0.391SS*.  trans-77.673.1177.533.3-36.4000111.5
64Y95.4Very high92.7Very high30 Ų3078.9 Ų78.912%0.11840%0.404CS..  trans-63.6146.9179.1-61.2-70.7000113.4S59 E62 Y66 P67 R70 D72S59-Y64 PolarHBondContact N-OH 3.33Å; S59-Y64 WeakPolarHBondContact O-CE2 3.3Å; S59-Y64 PolarHBondContact O-OH 3.02Å; S59-Y64 VanDerWaalsContact O-OH 3.06Å; E62-Y64 VanDerWaalsContact C-N 3.26Å; E62-Y64 HydrophobicContact CB-CD1 4.47Å; E62-Y64 HydrophobicContact CB-CD2 4.28Å; E62-Y64 HydrophobicContact CB-CE1 3.98Å; E62-Y64 HydrophobicContact CB-CE2 3.8Å; E62-Y64 HydrophobicContact CG-CD1 4.4Å; E62-Y64 HydrophobicContact CG-CE1 4.04Å; E62-Y64 VanDerWaalsContact O-CD2 3.3Å; E62-Y64 WeakPolarHBondContact O-CD2 3.39Å; E62-Y64 PolarHBondContact O-N 3.36Å; Y64-Y66 PolarHBondContact O-N 3.03Å; Y64-P67 WeakPolarHBondContact O-CD 3.38Å; Y64-R70 VanDerWaalsContact CD1-C 3.44Å; Y64-R70 HydrophobicContact CD2-CB 3.65Å; Y64-R70 HydrophobicContact CD2-CG 4.02Å; Y64-R70 WeakPolarHBondContact CE1-O 3.28Å; Y64-R70 HydrophobicContact CE2-CB 3.39Å; Y64-R70 HydrophobicContact CE2-CG 3.81Å; Y64-R70 VanDerWaalsContact CG-C 3.44Å; Y64-R70 HydrophobicContact CG-CB 4.29Å; Y64-D72 VanDerWaalsContact CA-OD1 3.29Å; Y64-D72 WeakPolarHBondContact CA-OD1 3.41Å
65D96Very high92.6Very high102 Ų10281.2 Ų81.255%0.54542%0.416SS..SBendtrans-60.7-34.3171.8-69.5-37.6000112.3P67 D72 F73D65-P67 WeakPolarHBondContact O-CD 3.45Å; D65-D72 PolarHBondContact N-OD1 3.4Å; D65-F73 HydrophobicContact CB-CB 4.49Å; D65-F73 WeakPolarHBondContact OD2-CB 3.09Å; D65-F73 PolarHBondContact OD2-N 3.37Å
66Y93.2Very high92.5Very high92 Ų9281.9 Ų81.936%0.36142%0.421SS..BIsolated β-bridgetrans-117.385.9173.6-58-79.7000110.5Y64 S68 E69 R70 R71Y64-Y66 PolarHBondContact O-N 3.03Å; Y66-S68 VanDerWaalsContact C-N 3.29Å; Y66-S68 PolarHBondContact O-N 3.2Å; Y66-E69 CarbonylContact O-C 3.54Å; Y66-E69 PolarHBondContact O-N 3.23Å; Y66-E69 VanDerWaalsContact O-N 3.08Å; Y66-R70 PolarHBondContact O-N 3.47Å; Y66-R71 WeakPolarHBondContact CB-O 3.46Å; Y66-R71 WeakPolarHBondContact CD2-O 3.03Å; Y66-R71 PolarHBondContact N-O 3.49Å; Y66-R71 PolarHBondContact O-N 3.48Å
67P92.2Very high92.5Very high98 Ų9882.1 Ų82.164%0.63642%0.422SS*.THydrogen-bonded Turntrans-59.5-34-173.6-27.435.1000114.7Y64 D65 E69 R70Y64-P67 WeakPolarHBondContact O-CD 3.38Å; D65-P67 WeakPolarHBondContact O-CD 3.45Å; P67-E69 VanDerWaalsContact C-N 3.31Å; P67-E69 PolarHBondContact O-N 2.98Å; P67-R70 PolarHBondContact O-N 3.49Å
68S88.1Confident92.5Very high97 Ų9779.4 Ų79.468%0.67840%0.403SS*.THydrogen-bonded Turntrans-66.9-32178.353.10000113.2Y66Y66-S68 VanDerWaalsContact C-N 3.29Å; Y66-S68 PolarHBondContact O-N 3.2Å
69E90.2Very high92.5Very high64 Ų6482.3 Ų82.330%0.29942%0.417SS..THydrogen-bonded Turntrans-100.5-3.4-178.6-65.8177.1-163.700112.6T55 Y66 P67 R71 L85T55-E69 WeakPolarHBondContact CG2-O 3.44Å; Y66-E69 CarbonylContact O-C 3.54Å; Y66-E69 PolarHBondContact O-N 3.23Å; Y66-E69 VanDerWaalsContact O-N 3.08Å; P67-E69 VanDerWaalsContact C-N 3.31Å; P67-E69 PolarHBondContact O-N 2.98Å; E69-R71 VanDerWaalsContact C-N 3.26Å; E69-R71 HydrophobicContact CB-CB 4.25Å; E69-R71 PolarHBondContact O-N 3.25Å; E69-R71 IonicContact OE2-NE 2.83Å; E69-R71 PolarHBondContact OE2-NE 3.32Å; E69-R71 IonicContact OE2-NH2 3.5Å; E69-L85 HydrophobicContact CG-CD2 4.39Å
70R92.5Very high92.5Very high58 Ų5883.7 Ų83.722%0.21942%0.42CS..THydrogen-bonded Turntrans45.349.1-171.8-59.2-172.2-173.8164.26.8112.7T55 E56 R58 Y64 Y66 P67T55-R70 HydrophobicContact CG2-CB 3.72Å; T55-R70 HydrophobicContact CG2-CG 3.85Å; T55-R70 WeakPolarHBondContact O-CD 2.97Å; E56-R70 VanDerWaalsContact C-NH1 3.31Å; E56-R70 PolarHBondContact O-NH1 3.06Å; R58-R70 HydrophobicContact CB-CB 4.07Å; R58-R70 WeakPolarHBondContact CD-O 3.29Å; R58-R70 PolarHBondContact NH1-O 2.92Å; R58-R70 PolarHBondContact O-NH1 3.04Å; Y64-R70 VanDerWaalsContact CD1-C 3.44Å; Y64-R70 HydrophobicContact CD2-CB 3.65Å; Y64-R70 HydrophobicContact CD2-CG 4.02Å; Y64-R70 WeakPolarHBondContact CE1-O 3.28Å; Y64-R70 HydrophobicContact CE2-CB 3.39Å; Y64-R70 HydrophobicContact CE2-CG 3.81Å; Y64-R70 VanDerWaalsContact CG-C 3.44Å; Y64-R70 HydrophobicContact CG-CB 4.29Å; Y66-R70 PolarHBondContact O-N 3.47Å; P67-R70 PolarHBondContact O-N 3.49Å
71R92.8Very high92.4Very high41 Ų4180.8 Ų80.816%0.15540%0.402CS..BIsolated β-bridgetrans-136.1146-173.2-169.2-17964.978.16.1111.4Y66 E69 D75Y66-R71 WeakPolarHBondContact CB-O 3.46Å; Y66-R71 WeakPolarHBondContact CD2-O 3.03Å; Y66-R71 PolarHBondContact N-O 3.49Å; Y66-R71 PolarHBondContact O-N 3.48Å; E69-R71 VanDerWaalsContact C-N 3.26Å; E69-R71 HydrophobicContact CB-CB 4.25Å; E69-R71 PolarHBondContact O-N 3.25Å; E69-R71 IonicContact OE2-NE 2.83Å; E69-R71 PolarHBondContact OE2-NE 3.32Å; E69-R71 IonicContact OE2-NH2 3.5Å; R71-D75 HydrophobicContact CG-CB 3.57Å
72D94.3Very high92.3Very high51 Ų5178.1 Ų78.127%0.27340%0.399SS..  trans-93166.1175.9-62.5-41.8000112.5Y64 D65 D75Y64-D72 VanDerWaalsContact CA-OD1 3.29Å; Y64-D72 WeakPolarHBondContact CA-OD1 3.41Å; D65-D72 PolarHBondContact N-OD1 3.4Å; D72-D75 HydrophobicContact CB-CB 4.45Å; D72-D75 WeakPolarHBondContact O-CB 3.31Å; D72-D75 PolarHBondContact O-N 2.78Å
73F91.4Very high92.3Very high130 Ų13077.1 Ų77.157%0.5740%0.397SS*.THydrogen-bonded Turntrans-65.8138.1171.6-173.6-102.4000110D65 D75D65-F73 HydrophobicContact CB-CB 4.49Å; D65-F73 WeakPolarHBondContact OD2-CB 3.09Å; D65-F73 PolarHBondContact OD2-N 3.37Å; F73-D75 PolarHBondContact O-N 2.83Å
74N89.5Confident92.3Very high99 Ų9973.1 Ų73.153%0.52937%0.368SS..THydrogen-bonded Turntrans64.65.5-173.2-64.1-30.8000117.1
75D91Very high92.1Very high51 Ų5174.8 Ų74.827%0.27338%0.378SS..PPolyproline II helixtrans-66.4128.9173.3-13124.6000110.2R58 R71 D72 F73 Q77R58-D75 IonicContact CZ-OD2 3.18Å; R58-D75 IonicContact NH1-OD2 2.63Å; R58-D75 PolarHBondContact NH1-OD2 3.05Å; R58-D75 IonicContact NH2-OD2 3.02Å; R58-D75 PolarHBondContact NH2-OD2 3.12Å; R71-D75 HydrophobicContact CG-CB 3.57Å; D72-D75 HydrophobicContact CB-CB 4.45Å; D72-D75 WeakPolarHBondContact O-CB 3.31Å; D72-D75 PolarHBondContact O-N 2.78Å; F73-D75 PolarHBondContact O-N 2.83Å; D75-Q77 PolarHBondContact O-N 2.89Å
76P91Very high91.9Very high30 Ų3071.7 Ų71.720%0.19537%0.367CS..PPolyproline II helixtrans-68.8129.3-178.629.8-34.8000110.2L29 F48L29-P76 HydrophobicContact CD2-CG 3.75Å; L29-P76 HydrophobicContact CG-CG 4.19Å; F48-P76 HydrophobicContact CD1-CB 4.26Å; F48-P76 HydrophobicContact CE1-CB 3.5Å; F48-P76 HydrophobicContact CE2-CB 4.26Å; F48-P76 HydrophobicContact CZ-CB 3.5Å; F48-P76 VanDerWaalsContact CZ-CB 3.5Å; F48-P76 HydrophobicContact CZ-CG 4.27Å
77Q91.6Very high91.8Very high84 Ų8473.1 Ų73.139%0.39339%0.39SS..PPolyproline II helixtrans-92.2145.7-173.3-173.3164.742.100111.8Y47 F48 D75 A81Y47-Q77 VanDerWaalsContact CE1-O 3.28Å; Y47-Q77 WeakPolarHBondContact CE1-O 3.39Å; Y47-Q77 PolarHBondContact OH-O 3.29Å; F48-Q77 WeakPolarHBondContact CE1-O 3.49Å; F48-Q77 WeakPolarHBondContact CZ-O 3.49Å; D75-Q77 PolarHBondContact O-N 2.89Å; Q77-A81 VanDerWaalsContact CD-CB 3.5Å; Q77-A81 HydrophobicContact CG-CB 3.21Å; Q77-A81 VanDerWaalsContact NE2-CB 3.32Å
78Q91.9Very high91.8Very high13 Ų1370.1 Ų70.16%0.06138%0.377CS..PPolyproline II helixtrans-65.8149.8173.5-47-161-60.700110.6V50 E51 Y53 D80 A81V50-Q78 HydrophobicContact CG1-CB 4.06Å; V50-Q78 HydrophobicContact CG1-CG 3.67Å; E51-Q78 PolarHBondContact O-NE2 3.29Å; Y53-Q78 HydrophobicContact CE1-CG 4.08Å; Y53-Q78 PolarHBondContact O-OE1 3.44Å; Q78-D80 VanDerWaalsContact C-N 3.3Å; Q78-D80 PolarHBondContact O-N 2.8Å; Q78-A81 HydrophobicContact CB-CB 4.37Å; Q78-A81 VanDerWaalsContact O-CB 3.27Å; Q78-A81 WeakPolarHBondContact O-CB 3.29Å; Q78-A81 PolarHBondContact O-N 3.11Å; Q78-A81 VanDerWaalsContact O-N 3.08Å
79F92Very high92Very high110 Ų11070.3 Ų70.348%0.48236%0.364SS..THydrogen-bonded Turntrans-55.2-46180-177.2-102.4000112.2F37 P44 Y47 A81F37-F79 HydrophobicContact CE2-CB 4.14Å; F37-F79 HydrophobicContact CZ-CB 3.67Å; F37-F79 HydrophobicContact CZ-CG 4.09Å; P44-F79 HydrophobicContact CB-CD2 3.85Å; P44-F79 HydrophobicContact CB-CE2 3.39Å; P44-F79 HydrophobicContact CB-CZ 4.09Å; P44-F79 HydrophobicContact CG-CD2 3.85Å; P44-F79 HydrophobicContact CG-CE2 3.82Å; P44-F79 HydrophobicContact CG-CZ 4.42Å; Y47-F79 HydrophobicContact CD1-CB 4.12Å; Y47-F79 HydrophobicContact CD1-CD2 4.2Å; Y47-F79 HydrophobicContact CE1-CB 4.01Å; Y47-F79 HydrophobicContact CE1-CD2 4.45Å; F79-A81 PolarHBondContact O-N 2.87Å
80D92.4Very high92.1Very high83 Ų8368.3 Ų68.344%0.44436%0.355SS..THydrogen-bonded Turntrans-98.136.6177.6-62.2-47.6000112.8Q78 Q82 L83 Y84Q78-D80 VanDerWaalsContact C-N 3.3Å; Q78-D80 PolarHBondContact O-N 2.8Å; D80-Q82 PolarHBondContact O-N 3.47Å; D80-L83 HydrophobicContact CB-CB 4.25Å; D80-L83 WeakPolarHBondContact O-CB 3.19Å; D80-L83 PolarHBondContact O-N 3.18Å; D80-Y84 HydrophobicContact CB-CD2 4.09Å; D80-Y84 HydrophobicContact CB-CE2 3.86Å; D80-Y84 VanDerWaalsContact O-CD2 3.25Å; D80-Y84 WeakPolarHBondContact O-CD2 3.25Å; D80-Y84 PolarHBondContact O-N 2.84Å
81A92.1Very high92.1Very high14 Ų1467 Ų6712%0.11635%0.354CS..THydrogen-bonded Turntrans-57.3-27.6-174.300000114.4Q77 Q78 F79 L83 Y84 L85Q77-A81 VanDerWaalsContact CD-CB 3.5Å; Q77-A81 HydrophobicContact CG-CB 3.21Å; Q77-A81 VanDerWaalsContact NE2-CB 3.32Å; Q78-A81 HydrophobicContact CB-CB 4.37Å; Q78-A81 VanDerWaalsContact O-CB 3.27Å; Q78-A81 WeakPolarHBondContact O-CB 3.29Å; Q78-A81 PolarHBondContact O-N 3.11Å; Q78-A81 VanDerWaalsContact O-N 3.08Å; F79-A81 PolarHBondContact O-N 2.87Å; A81-L83 VanDerWaalsContact C-N 3.31Å; A81-L83 PolarHBondContact O-N 2.83Å; A81-Y84 CarbonylContact O-C 3.55Å; A81-Y84 PolarHBondContact O-N 2.92Å; A81-L85 PolarHBondContact O-N 3.45Å; A81-L85 VanDerWaalsContact O-N 3.16Å
82Q92.2Very high91.9Very high173 Ų17367.7 Ų67.781%0.80837%0.368SS*.THydrogen-bonded Turntrans-64.7-34.7174.7-66.8-171.8-3.400112.8D80 Y84 L85D80-Q82 PolarHBondContact O-N 3.47Å; Q82-Y84 VanDerWaalsContact C-N 3.31Å; Q82-L85 WeakPolarHBondContact O-CD1 3.47Å
83L94.2Very high91.7Very high89 Ų8970.1 Ų70.147%0.46638%0.377SS..THydrogen-bonded Turntrans-70.4-33.1176.1179.562.3000111.3D80 A81 G88 Y89D80-L83 HydrophobicContact CB-CB 4.25Å; D80-L83 WeakPolarHBondContact O-CB 3.19Å; D80-L83 PolarHBondContact O-N 3.18Å; A81-L83 VanDerWaalsContact C-N 3.31Å; A81-L83 PolarHBondContact O-N 2.83Å; L83-G88 CarbonylContact O-C 3.51Å; L83-G88 VanDerWaalsContact O-CA 3.29Å; L83-G88 WeakPolarHBondContact O-CA 3.42Å; L83-Y89 PolarHBondContact O-N 2.81Å
84Y94.1Very high91.5Very high27 Ų2766.5 Ų66.511%0.10636%0.363CS..THydrogen-bonded Turntrans-98.415.6-174.5-64.5-66.7000114.4P52 Y53 N54 T55 D80 A81 Q82 Y89 P91P52-Y84 HydrophobicContact CB-CD1 4.47Å; P52-Y84 HydrophobicContact CB-CD2 4.38Å; P52-Y84 HydrophobicContact CB-CE1 3.7Å; P52-Y84 HydrophobicContact CB-CE2 3.6Å; P52-Y84 WeakPolarHBondContact CB-OH 3.31Å; Y53-Y84 VanDerWaalsContact O-CB 3.31Å; Y53-Y84 WeakPolarHBondContact O-CB 3.34Å; N54-Y84 CarbonylContact C-O 3.58Å; N54-Y84 WeakPolarHBondContact CA-O 3.44Å; N54-Y84 PolarHBondContact ND2-O 3.4Å; T55-Y84 PolarHBondContact N-O 3.06Å; T55-Y84 PolarHBondContact OG1-O 2.97Å; D80-Y84 HydrophobicContact CB-CD2 4.09Å; D80-Y84 HydrophobicContact CB-CE2 3.86Å; D80-Y84 VanDerWaalsContact O-CD2 3.25Å; D80-Y84 WeakPolarHBondContact O-CD2 3.25Å; D80-Y84 PolarHBondContact O-N 2.84Å; A81-Y84 CarbonylContact O-C 3.55Å; A81-Y84 PolarHBondContact O-N 2.92Å; Q82-Y84 VanDerWaalsContact C-N 3.31Å; Y84-Y89 HydrophobicContact CD1-CD1 4.41Å; Y84-Y89 VanDerWaalsContact CD1-O 3.29Å; Y84-Y89 WeakPolarHBondContact CD1-O 3.29Å; Y84-Y89 AromaticContact CE1-CD1 3.6Å; Y84-Y89 HydrophobicContact CE1-CD1 3.6Å; Y84-Y89 HydrophobicContact CE1-CE1 4.25Å; Y84-P91 HydrophobicContact CE1-CG 4.13Å
85L92.4Very high91.5Very high64 Ų6469.3 Ų69.334%0.33537%0.371SS..SBendtrans-56.3165169.2-73.8169.2000111.2N54 E69 A81 Q82 S87 G88N54-L85 PolarHBondContact ND2-O 3.38Å; N54-L85 PolarHBondContact OD1-O 2.89Å; E69-L85 HydrophobicContact CG-CD2 4.39Å; A81-L85 PolarHBondContact O-N 3.45Å; A81-L85 VanDerWaalsContact O-N 3.16Å; Q82-L85 WeakPolarHBondContact O-CD1 3.47Å; L85-S87 PolarHBondContact O-N 3.1Å; L85-S87 VanDerWaalsContact O-N 3.1Å; L85-G88 WeakPolarHBondContact O-CA 3.37Å; L85-G88 PolarHBondContact O-N 3.22Å
86A90.8Very high91.4Very high37 Ų3774 Ų7431%0.30639%0.391SS..THydrogen-bonded Turntrans-55.5-34-177.700000113.8T55 E56T55-A86 HydrophobicContact CG2-CB 4.43Å; E56-A86 HydrophobicContact CG-CB 4.23Å
87S90.9Very high91.3Very high122 Ų12277.8 Ų77.885%0.85341%0.408SS*.THydrogen-bonded Turntrans-86.8-3.6175.460.40000114.5L85L85-S87 PolarHBondContact O-N 3.1Å; L85-S87 VanDerWaalsContact O-N 3.1Å
88G92Very high91.1Very high35 Ų3574.8 Ų74.836%0.36140%0.395SS..SBendtrans-89.5-159.5-170.700000114L83 L85L83-G88 CarbonylContact O-C 3.51Å; L83-G88 VanDerWaalsContact O-CA 3.29Å; L83-G88 WeakPolarHBondContact O-CA 3.42Å; L85-G88 WeakPolarHBondContact O-CA 3.37Å; L85-G88 PolarHBondContact O-N 3.22Å
89Y92.7Very high91Very high102 Ų10283 Ų8340%0.443%0.43SS..  trans-71.6132.3179.8177.9-118.9000110.8N54 L83 Y84 P91 L94N54-Y89 PolarHBondContact ND2-O 2.98Å; L83-Y89 PolarHBondContact O-N 2.81Å; Y84-Y89 HydrophobicContact CD1-CD1 4.41Å; Y84-Y89 VanDerWaalsContact CD1-O 3.29Å; Y84-Y89 WeakPolarHBondContact CD1-O 3.29Å; Y84-Y89 AromaticContact CE1-CD1 3.6Å; Y84-Y89 HydrophobicContact CE1-CD1 3.6Å; Y84-Y89 HydrophobicContact CE1-CE1 4.25Å; Y89-P91 HydrophobicContact CE1-CB 4.07Å; Y89-L94 HydrophobicContact CE2-CB 4.45Å; Y89-L94 HydrophobicContact CE2-CD2 3.91Å; Y89-L94 WeakPolarHBondContact OH-CD2 3.44Å
90N93.3Very high90.7Very high21 Ų2180.7 Ų80.711%0.11244%0.438CS..  trans-120.3102.9178.3-172.5-24000111N54 E56 A92 K93 L94N54-N90 HydrophobicContact CB-CB 3.72Å; N54-N90 VanDerWaalsContact CB-CG 3.49Å; E56-N90 PolarHBondContact OE2-ND2 3.43Å; N90-A92 PolarHBondContact O-N 2.79Å; N90-A92 PolarHBondContact OD1-N 3.16Å; N90-K93 HydrophobicContact CB-CB 3.86Å; N90-K93 VanDerWaalsContact CG-CB 3.46Å; N90-K93 PolarHBondContact O-N 3.37Å; N90-K93 PolarHBondContact OD1-N 2.93Å; N90-L94 WeakPolarHBondContact O-CB 3.46Å; N90-L94 PolarHBondContact O-N 3.32Å
91P90.8Very high90.5Very high31 Ų3180.1 Ų80.120%0.20143%0.433CS..Hα-helixtrans-68.2-35.8-175.725.3-31.3000112.4P52 Y84 Y89 L94 K95P52-P91 VanDerWaalsContact O-CG 3.28Å; P52-P91 WeakPolarHBondContact O-CG 3.48Å; Y84-P91 HydrophobicContact CE1-CG 4.13Å; Y89-P91 HydrophobicContact CE1-CB 4.07Å; P91-L94 PolarHBondContact O-N 3.23Å; P91-K95 WeakPolarHBondContact O-CB 3.39Å; P91-K95 PolarHBondContact O-N 2.95Å
92A89.4Confident90.5Very high55 Ų5582.5 Ų82.546%0.45545%0.447SS..Hα-helixtrans-66-47.1178.200000111.3N90 L94 K95 E96N90-A92 PolarHBondContact O-N 2.79Å; N90-A92 PolarHBondContact OD1-N 3.16Å; A92-L94 PolarHBondContact O-N 2.9Å; A92-K95 PolarHBondContact O-N 2.88Å; A92-E96 PolarHBondContact O-N 3.24Å
93K89.3Confident90.3Very high102 Ų10277.6 Ų77.644%0.44343%0.429SS..Hα-helixtrans-64.6-38.4177.2-168.4174.5-172.8173.50112N90 E96 I97N90-K93 HydrophobicContact CB-CB 3.86Å; N90-K93 VanDerWaalsContact CG-CB 3.46Å; N90-K93 PolarHBondContact O-N 3.37Å; N90-K93 PolarHBondContact OD1-N 2.93Å; K93-E96 PolarHBondContact O-N 3.27Å; K93-I97 HydrophobicContact CG-CD1 3.96Å; K93-I97 WeakPolarHBondContact O-CB 3.45Å; K93-I97 VanDerWaalsContact O-CG1 3.26Å; K93-I97 WeakPolarHBondContact O-CG1 3.27Å; K93-I97 PolarHBondContact O-N 3.21Å
94L88.9Confident90.2Very high55 Ų5581.7 Ų81.729%0.28844%0.438SS..Hα-helixtrans-61.4-46.5174.2-175.272.2000111.1Y89 N90 P91 A92 E96 I97 L98 V103Y89-L94 HydrophobicContact CE2-CB 4.45Å; Y89-L94 HydrophobicContact CE2-CD2 3.91Å; Y89-L94 WeakPolarHBondContact OH-CD2 3.44Å; N90-L94 WeakPolarHBondContact O-CB 3.46Å; N90-L94 PolarHBondContact O-N 3.32Å; P91-L94 PolarHBondContact O-N 3.23Å; A92-L94 PolarHBondContact O-N 2.9Å; L94-E96 VanDerWaalsContact C-N 3.27Å; L94-E96 PolarHBondContact O-N 3.45Å; L94-I97 PolarHBondContact O-N 3.46Å; L94-L98 HydrophobicContact CD1-CD1 3.77Å; L94-L98 HydrophobicContact CD1-CG 4.01Å; L94-L98 HydrophobicContact CD2-CD1 4Å; L94-L98 HydrophobicContact CG-CD1 3.57Å; L94-L98 HydrophobicContact CG-CG 4.13Å; L94-L98 VanDerWaalsContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 VanDerWaalsContact O-CG 3.23Å; L94-L98 WeakPolarHBondContact O-CG 2.96Å; L94-L98 PolarHBondContact O-N 2.83Å; L94-V103 HydrophobicContact CD2-CG2 4.36Å
95K88.1Confident90.1Very high158 Ų15884.9 Ų84.969%0.68745%0.451SS*.Hα-helixtrans-59.9-38.6178.3-169.7179.8-176.4178.70112P91 A92 K99 G100P91-K95 WeakPolarHBondContact O-CB 3.39Å; P91-K95 PolarHBondContact O-N 2.95Å; A92-K95 PolarHBondContact O-N 2.88Å; K95-K99 PolarHBondContact O-N 2.85Å; K95-K99 VanDerWaalsContact O-N 3.12Å; K95-G100 PolarHBondContact O-N 3.47Å
96E89.4Confident89.9Confident150 Ų15084.5 Ų84.570%0.70145%0.448SS*.Hα-helixtrans-65.4-52.9175-173-174167.800112.1A92 K93 L94 L98 K99A92-E96 PolarHBondContact O-N 3.24Å; K93-E96 PolarHBondContact O-N 3.27Å; L94-E96 VanDerWaalsContact C-N 3.27Å; L94-E96 PolarHBondContact O-N 3.45Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 3.39Å; E96-K99 PolarHBondContact O-N 3.08Å; E96-K99 VanDerWaalsContact O-N 3.07Å
97I88.1Confident90Very high109 Ų10987 Ų8756%0.55946%0.456SS*.Hα-helixtrans-58.6-44.4180-70.2167.1000110.9K93 L94 K99K93-I97 HydrophobicContact CG-CD1 3.96Å; K93-I97 WeakPolarHBondContact O-CB 3.45Å; K93-I97 VanDerWaalsContact O-CG1 3.26Å; K93-I97 WeakPolarHBondContact O-CG1 3.27Å; K93-I97 PolarHBondContact O-N 3.21Å; L94-I97 PolarHBondContact O-N 3.46Å; I97-K99 VanDerWaalsContact C-N 3.25Å; I97-K99 PolarHBondContact O-N 3.32Å
98L88.9Confident90.2Very high21 Ų2187.7 Ų87.711%0.1144%0.444CS..Hα-helixtrans-76.5-12.2-178.7-64.9176.8000113L94 E96 G100 Q101 V103 M106L94-L98 HydrophobicContact CD1-CD1 3.77Å; L94-L98 HydrophobicContact CD1-CG 4.01Å; L94-L98 HydrophobicContact CD2-CD1 4Å; L94-L98 HydrophobicContact CG-CD1 3.57Å; L94-L98 HydrophobicContact CG-CG 4.13Å; L94-L98 VanDerWaalsContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 VanDerWaalsContact O-CG 3.23Å; L94-L98 WeakPolarHBondContact O-CG 2.96Å; L94-L98 PolarHBondContact O-N 2.83Å; E96-L98 VanDerWaalsContact C-N 3.31Å; E96-L98 PolarHBondContact O-N 3.39Å; L98-G100 PolarHBondContact O-N 2.98Å; L98-G100 VanDerWaalsContact O-N 3.16Å; L98-Q101 WeakPolarHBondContact CB-O 3.47Å; L98-Q101 WeakPolarHBondContact CD1-O 3.18Å; L98-Q101 VanDerWaalsContact O-CB 3.23Å; L98-Q101 WeakPolarHBondContact O-CB 3.15Å; L98-Q101 WeakPolarHBondContact O-CG 3.37Å; L98-Q101 PolarHBondContact O-N 3.18Å; L98-V103 HydrophobicContact CD1-CG2 3.51Å; L98-V103 HydrophobicContact CD2-CG2 4.37Å; L98-M106 HydrophobicContact CD2-CB 4.25Å; L98-M106 HydrophobicContact CD2-CG 3.74Å
99K88.3Confident90.2Very high184 Ų18492 Ų9280%0.845%0.452SS*.THydrogen-bonded Turntrans49.139.7-173.8-61.6-177.7176.2-178.60112.6K95 E96 I97 Q101K95-K99 PolarHBondContact O-N 2.85Å; K95-K99 VanDerWaalsContact O-N 3.12Å; E96-K99 PolarHBondContact O-N 3.08Å; E96-K99 VanDerWaalsContact O-N 3.07Å; I97-K99 VanDerWaalsContact C-N 3.25Å; I97-K99 PolarHBondContact O-N 3.32Å; K99-Q101 PolarHBondContact O-N 3.04Å
100G86.4Confident90.2Very high63 Ų6391 Ų9165%0.64946%0.457SS*.THydrogen-bonded Turntrans73.73.9-17700000115.8K95 L98K95-G100 PolarHBondContact O-N 3.47Å; L98-G100 PolarHBondContact O-N 2.98Å; L98-G100 VanDerWaalsContact O-N 3.16Å
101Q89.2Confident90.3Very high71 Ų7194.7 Ų94.733%0.33247%0.472SS..  trans-76.8144.4173.2-58.2-170.6-39.700110.5L98 K99 Y105 M106L98-Q101 WeakPolarHBondContact CB-O 3.47Å; L98-Q101 WeakPolarHBondContact CD1-O 3.18Å; L98-Q101 VanDerWaalsContact O-CB 3.23Å; L98-Q101 WeakPolarHBondContact O-CB 3.15Å; L98-Q101 WeakPolarHBondContact O-CG 3.37Å; L98-Q101 PolarHBondContact O-N 3.18Å; K99-Q101 PolarHBondContact O-N 3.04Å; Q101-Y105 HydrophobicContact CB-CD1 4.33Å; Q101-M106 HydrophobicContact CB-CG 4.42Å; Q101-M106 PolarHBondContact OE1-SD 3.18Å; Q101-M106 VanDerWaalsContact OE1-SD 3.35Å
102P90.3Very high90.5Very high64 Ų6495 Ų9542%0.41648%0.478SS..  trans-70.6144.6175.630.5-34.6000110.6W104 Y105 M106P102-W104 VanDerWaalsContact C-N 3.26Å; P102-W104 HydrophobicContact CB-CG 4.49Å; P102-W104 HydrophobicContact CG-CZ2 4.39Å; P102-W104 VanDerWaalsContact CG-NE1 3.35Å; P102-W104 PolarHBondContact O-N 3.08Å; P102-Y105 WeakPolarHBondContact O-CB 3.36Å; P102-Y105 PolarHBondContact O-N 3.06Å; P102-M106 PolarHBondContact O-N 3.3Å
103V89Confident90.8Very high70 Ų7096.3 Ų96.342%0.42448%0.481SS..Hα-helixtrans-53.8-42.2-176.2177.40000112.1L94 L98 Y105 M106 L107L94-V103 HydrophobicContact CD2-CG2 4.36Å; L98-V103 HydrophobicContact CD1-CG2 3.51Å; L98-V103 HydrophobicContact CD2-CG2 4.37Å; V103-Y105 PolarHBondContact O-N 3.08Å; V103-M106 PolarHBondContact O-N 3.48Å; V103-M106 VanDerWaalsContact O-N 3.11Å; V103-L107 HydrophobicContact CG1-CD1 4.04Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.14Å; V103-L107 PolarHBondContact O-N 2.69Å
104W91.2Very high91.1Very high174 Ų17496.1 Ų96.166%0.65949%0.485SS*.Hα-helixtrans-59.4-33.8-179.173.3-97.6000112.6P102 F108P102-W104 VanDerWaalsContact C-N 3.26Å; P102-W104 HydrophobicContact CB-CG 4.49Å; P102-W104 HydrophobicContact CG-CZ2 4.39Å; P102-W104 VanDerWaalsContact CG-NE1 3.35Å; P102-W104 PolarHBondContact O-N 3.08Å; W104-F108 VanDerWaalsContact O-CB 3.32Å; W104-F108 WeakPolarHBondContact O-CB 3.28Å; W104-F108 PolarHBondContact O-N 3.49Å
105Y92.2Very high91.4Very high95 Ų95100 Ų10037%0.37350%0.499SS..Hα-helixtrans-71.4-39.3178.3178.9-100.1000111.4Q101 P102 V103 F108 K109Q101-Y105 HydrophobicContact CB-CD1 4.33Å; P102-Y105 WeakPolarHBondContact O-CB 3.36Å; P102-Y105 PolarHBondContact O-N 3.06Å; V103-Y105 PolarHBondContact O-N 3.08Å; Y105-F108 PolarHBondContact O-N 2.94Å; Y105-K109 VanDerWaalsContact O-CB 3.3Å; Y105-K109 WeakPolarHBondContact O-CB 3.47Å; Y105-K109 PolarHBondContact O-N 3.5Å
106M89.7Confident91.8Very high56 Ų5694 Ų9428%0.27648%0.483SS..Hα-helixtrans-65.9-41.6174.7-74.6-69.9-78.400112L98 Q101 P102 V103 K109 T110L98-M106 HydrophobicContact CD2-CB 4.25Å; L98-M106 HydrophobicContact CD2-CG 3.74Å; Q101-M106 HydrophobicContact CB-CG 4.42Å; Q101-M106 PolarHBondContact OE1-SD 3.18Å; Q101-M106 VanDerWaalsContact OE1-SD 3.35Å; P102-M106 PolarHBondContact O-N 3.3Å; V103-M106 PolarHBondContact O-N 3.48Å; V103-M106 VanDerWaalsContact O-N 3.11Å; M106-K109 PolarHBondContact O-N 2.76Å; M106-T110 WeakPolarHBondContact O-CB 3.42Å; M106-T110 PolarHBondContact O-N 2.91Å; M106-T110 PolarHBondContact O-OG1 3.41Å
107L92.7Very high92Very high90 Ų9091.8 Ų91.847%0.47148%0.475SS..Hα-helixtrans-60.7-49.7172.9-66.6175.4000110.2V103 K109 T110 F111V103-L107 HydrophobicContact CG1-CD1 4.04Å; V103-L107 HydrophobicContact CG1-CG 4.21Å; V103-L107 WeakPolarHBondContact O-CG 3.14Å; V103-L107 PolarHBondContact O-N 2.69Å; L107-K109 PolarHBondContact O-N 3.23Å; L107-T110 PolarHBondContact O-N 3.37Å; L107-T110 VanDerWaalsContact O-N 3.15Å; L107-F111 HydrophobicContact CB-CD2 4.29Å; L107-F111 HydrophobicContact CD2-CD2 4.45Å; L107-F111 HydrophobicContact CD2-CE2 3.94Å; L107-F111 WeakPolarHBondContact O-CB 3.15Å; L107-F111 WeakPolarHBondContact O-CD2 3.25Å; L107-F111 PolarHBondContact O-N 3.26Å
108F93.9Very high92.3Very high136 Ų13694.4 Ų94.460%0.59648%0.478SS*.Hα-helixtrans-58.9-45.7178.2-173.6-97.9000112W104 Y105 T110 F111 A112W104-F108 VanDerWaalsContact O-CB 3.32Å; W104-F108 WeakPolarHBondContact O-CB 3.28Å; W104-F108 PolarHBondContact O-N 3.49Å; Y105-F108 PolarHBondContact O-N 2.94Å; F108-T110 VanDerWaalsContact C-N 3.27Å; F108-T110 PolarHBondContact O-N 3.5Å; F108-F111 PolarHBondContact O-N 2.88Å; F108-A112 HydrophobicContact CD1-CB 4.39Å; F108-A112 HydrophobicContact CE1-CB 4.17Å; F108-A112 HydrophobicContact CZ-CB 4.23Å; F108-A112 WeakPolarHBondContact O-CA 3.41Å; F108-A112 WeakPolarHBondContact O-CB 3.08Å; F108-A112 PolarHBondContact O-N 3.2Å
109K92Very high92.6Very high125 Ų12599 Ų9954%0.54350%0.497SS..Hα-helixtrans-61.2-34.1177.5-174.8178.4177.2-177.50113Y105 M106 L107 P113Y105-K109 VanDerWaalsContact O-CB 3.3Å; Y105-K109 WeakPolarHBondContact O-CB 3.47Å; Y105-K109 PolarHBondContact O-N 3.5Å; M106-K109 PolarHBondContact O-N 2.76Å; L107-K109 PolarHBondContact O-N 3.23Å; K109-P113 WeakPolarHBondContact O-CD 3.42Å
110T92.9Very high92.8Very high81 Ų8194 Ų9450%0.49749%0.485SS..Hα-helixtrans-79.9-42.4179.7-530000111.7M106 L107 F108 P113M106-T110 WeakPolarHBondContact O-CB 3.42Å; M106-T110 PolarHBondContact O-N 2.91Å; M106-T110 PolarHBondContact O-OG1 3.41Å; L107-T110 PolarHBondContact O-N 3.37Å; L107-T110 VanDerWaalsContact O-N 3.15Å; F108-T110 VanDerWaalsContact C-N 3.27Å; F108-T110 PolarHBondContact O-N 3.5Å; T110-P113 WeakPolarHBondContact O-CD 3.48Å; T110-P113 WeakPolarHBondContact O-CG 3.46Å
111F95.5Very high93.1Very high98 Ų9896.1 Ų96.143%0.4348%0.481SS..Hα-helixtrans-88.6-30.3-174.2-73.3-69.4000114L107 F108 L114 F115L107-F111 HydrophobicContact CB-CD2 4.29Å; L107-F111 HydrophobicContact CD2-CD2 4.45Å; L107-F111 HydrophobicContact CD2-CE2 3.94Å; L107-F111 WeakPolarHBondContact O-CB 3.15Å; L107-F111 WeakPolarHBondContact O-CD2 3.25Å; L107-F111 PolarHBondContact O-N 3.26Å; F108-F111 PolarHBondContact O-N 2.88Å; F111-L114 HydrophobicContact CD1-CD1 3.98Å; F111-L114 HydrophobicContact CE1-CD1 4.34Å; F111-L114 WeakPolarHBondContact O-CB 3.37Å; F111-L114 PolarHBondContact O-N 3.28Å; F111-F115 HydrophobicContact CB-CD2 4.01Å; F111-F115 HydrophobicContact CB-CE2 3.97Å; F111-F115 VanDerWaalsContact O-CD2 3.23Å; F111-F115 WeakPolarHBondContact O-CD2 3.33Å; F111-F115 PolarHBondContact O-N 3.41Å
112A95.9Very high93.2Very high39 Ų3994.6 Ų94.632%0.32248%0.478SS..Hα-helixtrans-52-45.7176.500000113.9F108 F115 G116F108-A112 HydrophobicContact CD1-CB 4.39Å; F108-A112 HydrophobicContact CE1-CB 4.17Å; F108-A112 HydrophobicContact CZ-CB 4.23Å; F108-A112 WeakPolarHBondContact O-CA 3.41Å; F108-A112 WeakPolarHBondContact O-CB 3.08Å; F108-A112 PolarHBondContact O-N 3.2Å; A112-F115 PolarHBondContact O-N 2.74Å; A112-G116 PolarHBondContact O-N 3.46Å
113P95.7Very high93.2Very high81 Ų8194.9 Ų94.953%0.52648%0.475SS..Hα-helixtrans-68.9-32.1176.126.4-34.7000113K109 T110 G116 L117K109-P113 WeakPolarHBondContact O-CD 3.42Å; T110-P113 WeakPolarHBondContact O-CD 3.48Å; T110-P113 WeakPolarHBondContact O-CG 3.46Å; P113-G116 PolarHBondContact O-N 2.97Å; P113-L117 WeakPolarHBondContact O-CB 3.43Å; P113-L117 PolarHBondContact O-N 3.42Å
114L95.2Very high93.3Very high99 Ų9993.4 Ų93.452%0.51847%0.474SS..Hα-helixtrans-66.8-44.5175.6-66.2175000111.1F111 L117 W118F111-L114 HydrophobicContact CD1-CD1 3.98Å; F111-L114 HydrophobicContact CE1-CD1 4.34Å; F111-L114 WeakPolarHBondContact O-CB 3.37Å; F111-L114 PolarHBondContact O-N 3.28Å; L114-L117 PolarHBondContact O-N 2.86Å; L114-W118 WeakPolarHBondContact O-CB 3.19Å; L114-W118 PolarHBondContact O-N 3.36Å
115F95.3Very high93.1Very high136 Ų13692.2 Ų92.260%0.59648%0.476SS*.Hα-helixtrans-65.2-39.4173.5-78.9-67.5000112F111 A112 W118 F119F111-F115 HydrophobicContact CB-CD2 4.01Å; F111-F115 HydrophobicContact CB-CE2 3.97Å; F111-F115 VanDerWaalsContact O-CD2 3.23Å; F111-F115 WeakPolarHBondContact O-CD2 3.33Å; F111-F115 PolarHBondContact O-N 3.41Å; A112-F115 PolarHBondContact O-N 2.74Å; F115-W118 PolarHBondContact O-N 3.22Å; F115-F119 VanDerWaalsContact O-CB 3.27Å; F115-F119 WeakPolarHBondContact O-CB 3.46Å; F115-F119 PolarHBondContact O-N 2.78Å
116G95.1Very high92.9Very high33 Ų3394.7 Ų94.734%0.3449%0.493SS..Hα-helixtrans-61.9-45.8174.800000112.5A112 P113 F119 C120A112-G116 PolarHBondContact O-N 3.46Å; P113-G116 PolarHBondContact O-N 2.97Å; G116-F119 PolarHBondContact O-N 3.3Å; G116-C120 PolarHBondContact O-N 3.4Å; G116-C120 PolarHBondContact O-SG 2.99Å
117L95.1Very high92.6Very high102 Ų102101 Ų10153%0.53452%0.515SS..Hα-helixtrans-63.5-46.5175.9178.161.5000111.6P113 L114 F119 C120 L121P113-L117 WeakPolarHBondContact O-CB 3.43Å; P113-L117 PolarHBondContact O-N 3.42Å; L114-L117 PolarHBondContact O-N 2.86Å; L117-F119 VanDerWaalsContact C-N 3.3Å; L117-F119 PolarHBondContact O-N 2.79Å; L117-C120 PolarHBondContact O-N 3.18Å; L117-L121 HydrophobicContact CD1-CD1 4.33Å; L117-L121 HydrophobicContact CD1-CG 4.26Å; L117-L121 HydrophobicContact CG-CD1 4.17Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 3.24Å
118W94.6Very high92.1Very high164 Ų164100.5 Ų100.562%0.62152%0.518SS*.Hα-helixtrans-56.7-46.4175.8174.178.4000111.1L114 F115 C120 L121 S122L114-W118 WeakPolarHBondContact O-CB 3.19Å; L114-W118 PolarHBondContact O-N 3.36Å; F115-W118 PolarHBondContact O-N 3.22Å; W118-C120 PolarHBondContact O-N 3.05Å; W118-L121 PolarHBondContact O-N 3.1Å; W118-S122 PolarHBondContact O-N 2.96Å; W118-S122 PolarHBondContact O-OG 3.47Å
119F94.2Very high91.5Very high117 Ų117102.3 Ų102.351%0.51353%0.526SS..Hα-helixtrans-61.3-44.1176.7-178.1-105.1000112.4F115 G116 L117 L121 S122 L123F115-F119 VanDerWaalsContact O-CB 3.27Å; F115-F119 WeakPolarHBondContact O-CB 3.46Å; F115-F119 PolarHBondContact O-N 2.78Å; G116-F119 PolarHBondContact O-N 3.3Å; L117-F119 VanDerWaalsContact C-N 3.3Å; L117-F119 PolarHBondContact O-N 2.79Å; F119-L121 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 3.4Å; F119-S122 PolarHBondContact O-N 2.63Å; F119-L123 HydrophobicContact CD1-CD1 3.95Å; F119-L123 HydrophobicContact CE1-CD1 3.43Å; F119-L123 VanDerWaalsContact CE1-CD1 3.43Å; F119-L123 HydrophobicContact CE1-CG 4.23Å; F119-L123 HydrophobicContact CZ-CD1 3.8Å; F119-L123 HydrophobicContact CZ-CD2 4.47Å; F119-L123 HydrophobicContact CZ-CG 4.23Å; F119-L123 WeakPolarHBondContact O-CG 3.1Å; F119-L123 PolarHBondContact O-N 3.02Å
120C92.3Very high91.2Very high81 Ų81104.1 Ų104.155%0.54753%0.534SS..Hα-helixtrans-61.4-39.8174.7-72.20000112.5G116 L117 W118 L123 G124G116-C120 PolarHBondContact O-N 3.4Å; G116-C120 PolarHBondContact O-SG 2.99Å; L117-C120 PolarHBondContact O-N 3.18Å; W118-C120 PolarHBondContact O-N 3.05Å; C120-L123 PolarHBondContact O-N 3.3Å; C120-G124 PolarHBondContact O-N 3.1Å
121L93Very high90.8Very high107 Ų107107.1 Ų107.156%0.5654%0.541SS*.Hα-helixtrans-68.2-39.6176.4-69.6174000111.8L117 W118 F119 G124 Q125L117-L121 HydrophobicContact CD1-CD1 4.33Å; L117-L121 HydrophobicContact CD1-CG 4.26Å; L117-L121 HydrophobicContact CG-CD1 4.17Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 3.24Å; W118-L121 PolarHBondContact O-N 3.1Å; F119-L121 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 3.4Å; L121-G124 CarbonylContact O-C 3.59Å; L121-G124 PolarHBondContact O-N 2.86Å; L121-Q125 WeakPolarHBondContact O-CG 3.36Å; L121-Q125 PolarHBondContact O-N 2.79Å
122S90.9Very high90.4Very high39 Ų39108.3 Ų108.327%0.27356%0.558SS.*Hα-helixtrans-62.4-41174-63.20000112W118 F119 Q125 M126W118-S122 PolarHBondContact O-N 2.96Å; W118-S122 PolarHBondContact O-OG 3.47Å; F119-S122 PolarHBondContact O-N 2.63Å; S122-Q125 PolarHBondContact O-N 2.91Å; S122-M126 PolarHBondContact O-N 3.06Å
123L90.9Very high89.9Confident69 Ų69113 Ų11336%0.36158%0.578SS.*Hα-helixtrans-65.6-39.6171.7-70.5176.6000112F119 C120 Q125 M126 Y127F119-L123 HydrophobicContact CD1-CD1 3.95Å; F119-L123 HydrophobicContact CE1-CD1 3.43Å; F119-L123 VanDerWaalsContact CE1-CD1 3.43Å; F119-L123 HydrophobicContact CE1-CG 4.23Å; F119-L123 HydrophobicContact CZ-CD1 3.8Å; F119-L123 HydrophobicContact CZ-CD2 4.47Å; F119-L123 HydrophobicContact CZ-CG 4.23Å; F119-L123 WeakPolarHBondContact O-CG 3.1Å; F119-L123 PolarHBondContact O-N 3.02Å; C120-L123 PolarHBondContact O-N 3.3Å; L123-Q125 PolarHBondContact O-N 3.43Å; L123-M126 WeakPolarHBondContact O-CB 3.32Å; L123-M126 PolarHBondContact O-N 3.29Å; L123-Y127 WeakPolarHBondContact O-CD2 3.38Å; L123-Y127 PolarHBondContact O-N 3.22Å
124G90.7Very high89.3Confident39 Ų39118.6 Ų118.640%0.40259%0.593SS.*Hα-helixtrans-62.4-29175.400000113.6C120 L121 Y127 C128C120-G124 PolarHBondContact O-N 3.1Å; L121-G124 CarbonylContact O-C 3.59Å; L121-G124 PolarHBondContact O-N 2.86Å; G124-Y127 CarbonylContact O-C 3.5Å; G124-Y127 PolarHBondContact O-N 3.22Å; G124-C128 WeakPolarHBondContact O-CA 3.4Å; G124-C128 PolarHBondContact O-N 2.89Å; G124-C128 VanDerWaalsContact O-N 3.09Å
125Q88Confident88.7Confident149 Ų149118.2 Ų118.270%0.69661%0.605SS**Hα-helixtrans-72.4-30.2171.8-73.3-179.7-14.100112.8L121 S122 L123 C128L121-Q125 WeakPolarHBondContact O-CG 3.36Å; L121-Q125 PolarHBondContact O-N 2.79Å; S122-Q125 PolarHBondContact O-N 2.91Å; L123-Q125 PolarHBondContact O-N 3.43Å; Q125-C128 PolarHBondContact O-SG 2.94Å
126M86.9Confident88.1Confident148 Ų148119.1 Ų119.173%0.72961%0.608SS**Hα-helixtrans-72.6-34.3172.3-59.3-173.87900111.3S122 L123S122-M126 PolarHBondContact O-N 3.06Å; L123-M126 WeakPolarHBondContact O-CB 3.32Å; L123-M126 PolarHBondContact O-N 3.29Å
127Y84.6Confident87.4Confident188 Ų188122.5 Ų122.574%0.73762%0.615SS**THydrogen-bonded Turntrans-112.857.5177.9-61-77.1000111.3L123 G124 F129L123-Y127 WeakPolarHBondContact O-CD2 3.38Å; L123-Y127 PolarHBondContact O-N 3.22Å; G124-Y127 CarbonylContact O-C 3.5Å; G124-Y127 PolarHBondContact O-N 3.22Å; Y127-F129 PolarHBondContact O-N 2.84Å
128C80.6Confident86.5Confident80 Ų80123.8 Ų123.854%0.54161%0.614SS.*  trans-57.3122.3178.2-78.40000110.6G124 Q125 F130G124-C128 WeakPolarHBondContact O-CA 3.4Å; G124-C128 PolarHBondContact O-N 2.89Å; G124-C128 VanDerWaalsContact O-N 3.09Å; Q125-C128 PolarHBondContact O-SG 2.94Å; C128-F130 PolarHBondContact O-N 3.13Å
129F82Confident85.3Confident174 Ų174121.3 Ų121.376%0.76362%0.619SS**  trans-68.5119168.2-179.5-98.1000109Y127 F131Y127-F129 PolarHBondContact O-N 2.84Å; F129-F131 HydrophobicContact CE1-CD1 4.21Å; F129-F131 AromaticContact CE1-CE1 3.93Å; F129-F131 HydrophobicContact CE1-CE1 3.93Å; F129-F131 HydrophobicContact CE1-CE2 4.42Å; F129-F131 HydrophobicContact CE1-CZ 4.04Å; F129-F131 HydrophobicContact CZ-CE1 4.35Å
130F86.3Confident84.1Confident162 Ų162124.2 Ų124.271%0.71163%0.634SS**  trans-119143.1171.962.8-86.9000109.4C128C128-F130 PolarHBondContact O-N 3.13Å
131F84.9Confident82.7Confident144 Ų144122.5 Ų122.563%0.63263%0.625SS**  trans-68.6141.8170.5-70.9-74.9000109.3F129 L133F129-F131 HydrophobicContact CE1-CD1 4.21Å; F129-F131 AromaticContact CE1-CE1 3.93Å; F129-F131 HydrophobicContact CE1-CE1 3.93Å; F129-F131 HydrophobicContact CE1-CE2 4.42Å; F129-F131 HydrophobicContact CE1-CZ 4.04Å; F129-F131 HydrophobicContact CZ-CE1 4.35Å; F131-L133 HydrophobicContact CB-CB 4.49Å; F131-L133 HydrophobicContact CB-CD1 3.95Å; F131-L133 HydrophobicContact CB-CG 4Å; F131-L133 PolarHBondContact O-N 3.29Å
132P86.8Confident81.2Confident123 Ų123124.1 Ų124.180%0.79964%0.64SS**SBendtrans-74.853.3177.433.7-37.1000111
133L85.8Confident79.7Confident139 Ų139128.1 Ų128.173%0.72866%0.658SS**  trans-111.4144.5179.5-64.3174.7000108.5F131F131-L133 HydrophobicContact CB-CB 4.49Å; F131-L133 HydrophobicContact CB-CD1 3.95Å; F131-L133 HydrophobicContact CB-CG 4Å; F131-L133 PolarHBondContact O-N 3.29Å
134K81.8Confident78.2Confident197 Ų197134.6 Ų134.686%0.85768%0.683SS**PPolyproline II helixtrans-64.7154.2169.7-74.4-174.6176.1-177.90109.9
135A82.6Confident76.8Confident92 Ų92140 Ų14076%0.7670%0.698SS**PPolyproline II helixtrans-53.8145.117200000110.8Q137A135-Q137 PolarHBondContact O-N 3.49Å
136K83.3Confident75.7Confident155 Ų155139.8 Ų139.867%0.67470%0.701SS**PPolyproline II helixtrans-59.7122.4179.7-178.2170.7172.7-173.20109.9Y138K136-Y138 HydrophobicContact CB-CE2 4.19Å; K136-Y138 HydrophobicContact CD-CE1 4.06Å; K136-Y138 HydrophobicContact CD-CE2 4.41Å; K136-Y138 WeakPolarHBondContact CD-OH 3.45Å; K136-Y138 HydrophobicContact CG-CE1 4.31Å; K136-Y138 HydrophobicContact CG-CE2 4.11Å; K136-Y138 WeakPolarHBondContact O-CD2 3.4Å; K136-Y138 WeakPolarHBondContact O-CE2 3.48Å
137Q79.3Confident74.6Confident104 Ų104135.7 Ų135.749%0.48668%0.681SS.*PPolyproline II helixtrans-79.2138.2175.7-66.9179.3-33.200110A135 H147A135-Q137 PolarHBondContact O-N 3.49Å; Q137-H147 HydrophobicContact CG-CB 4.45Å; Q137-H147 PolarHBondContact NE2-O 2.9Å
138Y77.1Confident73.8Confident128 Ų128134.1 Ų134.150%0.50267%0.674SS.*  trans-122.5128.8-179.4-68.7-82.2000109.9K136 H140 A141 H147K136-Y138 HydrophobicContact CB-CE2 4.19Å; K136-Y138 HydrophobicContact CD-CE1 4.06Å; K136-Y138 HydrophobicContact CD-CE2 4.41Å; K136-Y138 WeakPolarHBondContact CD-OH 3.45Å; K136-Y138 HydrophobicContact CG-CE1 4.31Å; K136-Y138 HydrophobicContact CG-CE2 4.11Å; K136-Y138 WeakPolarHBondContact O-CD2 3.4Å; K136-Y138 WeakPolarHBondContact O-CE2 3.48Å; Y138-H140 PolarHBondContact O-N 2.97Å; Y138-A141 PolarHBondContact O-N 3.18Å; Y138-H147 PolarHBondContact O-NE2 3.1Å; Y138-H147 VanDerWaalsContact O-NE2 3.1Å
139P70Confident73Confident113 Ų113137 Ų13773%0.73469%0.69SS**THydrogen-bonded Turntrans-64.3-8.9-171.123.2-32.9000115.6
140H68.3Low72.4Confident178 Ų178136 Ų13682%0.82469%0.686SS**THydrogen-bonded Turntrans-140.533.4-179.6-58-61.8000112.6Y138Y138-H140 PolarHBondContact O-N 2.97Å
141A63.5Low71Confident44 Ų44137 Ų13736%0.36469%0.692SS.*  trans-57.3144.2176.400000111.2Y138 D143Y138-A141 PolarHBondContact O-N 3.18Å; A141-D143 CarbonylContact O-C 3.07Å; A141-D143 PolarHBondContact O-N 3.23Å; A141-D143 VanDerWaalsContact O-N 3.16Å
142V61.4Low69.7Low142 Ų142139.5 Ų139.586%0.86170%0.703SS**SBendtrans-57.4-30.5-176.4178.40000111.6K144V142-K144 PolarHBondContact O-N 3.11Å
143D59.8Low68.3Low123 Ų123142.3 Ų142.366%0.65871%0.71SS**SBendtrans-82.1112170.3-61.1-33.5000109A141 E145A141-D143 CarbonylContact O-C 3.07Å; A141-D143 PolarHBondContact O-N 3.23Å; A141-D143 VanDerWaalsContact O-N 3.16Å; D143-E145 PolarHBondContact O-N 3.38Å
144K58.1Low66.8Low204 Ų204142.9 Ų142.989%0.88775%0.75SS**  trans-67.434.7-178.5-65.5178.5177.3175.80113.9V142 N146V142-K144 PolarHBondContact O-N 3.11Å; K144-N146 PolarHBondContact O-N 3.48Å
145E62.7Low66Low152 Ų152140.2 Ų140.271%0.7174%0.744SS**  trans-81.8116.8-179.9-67.9-168.4166.100110.4D143 H147D143-E145 PolarHBondContact O-N 3.38Å; E145-H147 PolarHBondContact O-N 3.08Å
146N64.2Low65.2Low145 Ų145142.7 Ų142.778%0.77574%0.744SS**  trans-59.1119.4174-69.6-40.7000109.6K144 Y148K144-N146 PolarHBondContact O-N 3.48Å; N146-Y148 PolarHBondContact O-N 3.37Å
147H64.1Low64.2Low63 Ų63142.1 Ų142.129%0.29275%0.747SS.*SBendtrans-71.31-178.5-68.7-36.6000115.1Q137 Y138 E145Q137-H147 HydrophobicContact CG-CB 4.45Å; Q137-H147 PolarHBondContact NE2-O 2.9Å; Y138-H147 PolarHBondContact O-NE2 3.1Å; Y138-H147 VanDerWaalsContact O-NE2 3.1Å; E145-H147 PolarHBondContact O-N 3.08Å
148Y67Low63.3Low154 Ų154144.3 Ų144.360%0.60476%0.763SS**  trans-135.1115.1-171.9-46.4-60.3000109.5N146 F150N146-Y148 PolarHBondContact O-N 3.37Å; Y148-F150 AromaticContact CD1-CE1 3.55Å; Y148-F150 HydrophobicContact CD1-CE1 3.55Å; Y148-F150 AromaticContact CD1-CZ 3.98Å; Y148-F150 HydrophobicContact CD1-CZ 3.98Å; Y148-F150 AromaticContact CG-CE1 3.69Å; Y148-F150 HydrophobicContact CG-CE1 3.69Å; Y148-F150 AromaticContact CG-CZ 3.79Å; Y148-F150 HydrophobicContact CG-CZ 3.79Å
149T64.4Low62.4Low142 Ų142145.3 Ų145.387%0.87178%0.779SS**  trans-111.412.8172.850.80000112.5
150F68.5Low61.9Low153 Ų153147.5 Ų147.567%0.67178%0.782SS**PPolyproline II helixtrans-65.5138.3173.344.8-102.6000110Y148 K152Y148-F150 AromaticContact CD1-CE1 3.55Å; Y148-F150 HydrophobicContact CD1-CE1 3.55Å; Y148-F150 AromaticContact CD1-CZ 3.98Å; Y148-F150 HydrophobicContact CD1-CZ 3.98Å; Y148-F150 AromaticContact CG-CE1 3.69Å; Y148-F150 HydrophobicContact CG-CE1 3.69Å; Y148-F150 AromaticContact CG-CZ 3.79Å; Y148-F150 HydrophobicContact CG-CZ 3.79Å; F150-K152 PolarHBondContact O-N 3.03Å
151E56.8Low61.4Low181 Ų181145.3 Ų145.385%0.84678%0.779SS**PPolyproline II helixtrans-56.9135.5172-71.6-177.3162.500109.1L153E151-L153 PolarHBondContact O-N 3.27Å; E151-L153 VanDerWaalsContact O-N 3.14Å
152K58.8Low61.3Low198 Ų198153.1 Ų153.186%0.86181%0.811SS**PPolyproline II helixtrans-63.4117.3168.5-77.2-178.7176178.90106.9F150 G154F150-K152 PolarHBondContact O-N 3.03Å; K152-G154 PolarHBondContact O-N 2.81Å
153L56.5Low61.3Low182 Ų182154 Ų15495%0.95381%0.807SS**  trans-53.7115162.3-82151.5000107E151E151-L153 PolarHBondContact O-N 3.27Å; E151-L153 VanDerWaalsContact O-N 3.14Å
154G54.3Low61.4Low151 Ų151156.8 Ų156.8100%1.55782%0.821SS**  trans-64.90179.400000113.3K152K152-G154 PolarHBondContact O-N 2.81Å

Retrieved 154 of 154 residues in 256.6 ms (Link to these results)

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