A0A087XI26_POEFO Loading...

Connector enhancer of kinase suppressor of Ras 2

AlphaFold DB , UniProt , Accession A0A087XI26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 952 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
1M33Very low65.6Low245 Ų24579.7 Ų79.7100%1.20743%0.427SS*.  0150.40-73.8164.916300107.9
2A28.8Very low67.5Low90 Ų9076.3 Ų76.374%0.74441%0.414SS*.  trans-70.7140.4170.100000109.3I4A2-I4 PolarHBondContact O-N 2.7Å; A2-I4 VanDerWaalsContact O-N 3.11Å
3L44.3Very low69.1Low115 Ų11573.8 Ų73.860%0.60240%0.404SS*.  trans-69.1106.9170.7-71.6171.6000107.9M5L3-M5 PolarHBondContact O-N 2.76Å
4I58.2Low70.4Confident91 Ų9173.6 Ų73.647%0.46741%0.411SS..SBendtrans-65.4-20-179.6-66.5174.1000111.4A2 L219 V221 T298A2-I4 PolarHBondContact O-N 2.7Å; A2-I4 VanDerWaalsContact O-N 3.11Å; I4-L219 HydrophobicContact CB-CB 4.4Å; I4-L219 HydrophobicContact CB-CD1 4.39Å; I4-L219 HydrophobicContact CD1-CB 4.35Å; I4-L219 HydrophobicContact CG2-CB 3.89Å; I4-L219 HydrophobicContact CG2-CD1 4.2Å; I4-V221 HydrophobicContact CG2-CG2 3.6Å; I4-T298 HydrophobicContact CG2-CG2 4.33Å
5M70.1Confident71.6Confident18 Ų1873.3 Ų73.39%0.08941%0.405CS..SBendtrans-143141.9177.3-175.1-17877.500108.5L3 L76 L80 L219 I269 Q270L3-M5 PolarHBondContact O-N 2.76Å; M5-L76 HydrophobicContact CE-CD2 3.77Å; M5-L76 HydrophobicContact CE-CG 4.03Å; M5-L76 HydrophobicContact SD-CD2 4.07Å; M5-L80 HydrophobicContact CE-CD1 3.57Å; M5-L219 HydrophobicContact CB-CD1 4.09Å; M5-I269 HydrophobicContact SD-CG2 3.91Å; M5-Q270 HydrophobicContact SD-CG 4.05Å
6E73.3Confident72.6Confident95 Ų9568.8 Ų68.844%0.44438%0.38SS..  trans-71.8130.9171.3-176.4166.1-144.600110.2K10E6-K10 HydrophobicContact CG-CB 3.96Å; E6-K10 HydrophobicContact CG-CD 4.33Å
7P77.9Confident73.6Confident33 Ų3365.1 Ų65.121%0.21436%0.36CS..  trans-60.3142.7179.324.2-35.6000111.7S9 K10 N77P7-S9 PolarHBondContact O-N 3.17Å; P7-S9 VanDerWaalsContact O-N 3.13Å; P7-K10 HydrophobicContact CG-CD 4Å; P7-K10 HydrophobicContact CG-CG 4.15Å; P7-K10 PolarHBondContact O-N 3.48Å; P7-N77 WeakPolarHBondContact CB-OD1 3.31Å
8V81.5Confident74.4Confident0 Ų064.9 Ų64.90%036%0.358CS..G310 helixtrans-58-32.1-174.4-175.10000111.6K10 W11 G41 L45 L73 N77V8-K10 PolarHBondContact O-N 2.7Å; V8-K10 VanDerWaalsContact O-N 3.11Å; V8-W11 HydrophobicContact CB-CD2 4.45Å; V8-W11 HydrophobicContact CB-CZ2 4.24Å; V8-W11 HydrophobicContact CG1-CD2 3.96Å; V8-W11 HydrophobicContact CG1-CE3 3.95Å; V8-W11 HydrophobicContact CG1-CH2 4.07Å; V8-W11 HydrophobicContact CG1-CZ2 4.1Å; V8-W11 HydrophobicContact CG1-CZ3 4.01Å; V8-W11 HydrophobicContact CG2-CH2 4.17Å; V8-W11 HydrophobicContact CG2-CZ2 3.7Å; V8-W11 PolarHBondContact O-N 3.34Å; V8-W11 VanDerWaalsContact O-N 3.13Å; V8-G41 CarbonylContact O-C 3.55Å; V8-G41 VanDerWaalsContact O-CA 3.25Å; V8-G41 WeakPolarHBondContact O-CA 3.43Å; V8-L45 HydrophobicContact CB-CD1 4.05Å; V8-L45 HydrophobicContact CB-CD2 4.14Å; V8-L45 HydrophobicContact CB-CG 4.34Å; V8-L45 HydrophobicContact CG1-CD1 4.19Å; V8-L45 HydrophobicContact CG1-CD2 3.81Å; V8-L45 HydrophobicContact CG1-CG 3.96Å; V8-L73 HydrophobicContact CG1-CB 4.41Å; V8-L73 HydrophobicContact CG1-CD1 4.14Å; V8-L73 HydrophobicContact CG2-CD2 4.49Å; V8-N77 HydrophobicContact CB-CB 4.06Å; V8-N77 HydrophobicContact CG2-CB 3.88Å; V8-N77 PolarHBondContact N-OD1 3.38Å
9S81.2Confident75.3Confident43 Ų4361.5 Ų61.530%0.30134%0.339SS..G310 helixtrans-62.9-15.8176.555.20000114.7P7 D42P7-S9 PolarHBondContact O-N 3.17Å; P7-S9 VanDerWaalsContact O-N 3.13Å; S9-D42 WeakPolarHBondContact O-CB 3.46Å; S9-D42 PolarHBondContact O-N 2.86Å
10K84.9Confident76Confident134 Ų13458.5 Ų58.558%0.58332%0.323SS*.G310 helixtrans-95.3-6.8176.7-68.7-174179.3-176.70114.4E6 P7 V8 S12E6-K10 HydrophobicContact CG-CB 3.96Å; E6-K10 HydrophobicContact CG-CD 4.33Å; P7-K10 HydrophobicContact CG-CD 4Å; P7-K10 HydrophobicContact CG-CG 4.15Å; P7-K10 PolarHBondContact O-N 3.48Å; V8-K10 PolarHBondContact O-N 2.7Å; V8-K10 VanDerWaalsContact O-N 3.11Å; K10-S12 PolarHBondContact O-N 3.24Å
11W88.3Confident76.6Confident13 Ų1360.1 Ų60.15%0.04933%0.326CS..  trans-60.5136.8-171.9-69.61.8000112.9V8 Q15 V16 W19 G41 L73 T275V8-W11 HydrophobicContact CB-CD2 4.45Å; V8-W11 HydrophobicContact CB-CZ2 4.24Å; V8-W11 HydrophobicContact CG1-CD2 3.96Å; V8-W11 HydrophobicContact CG1-CE3 3.95Å; V8-W11 HydrophobicContact CG1-CH2 4.07Å; V8-W11 HydrophobicContact CG1-CZ2 4.1Å; V8-W11 HydrophobicContact CG1-CZ3 4.01Å; V8-W11 HydrophobicContact CG2-CH2 4.17Å; V8-W11 HydrophobicContact CG2-CZ2 3.7Å; V8-W11 PolarHBondContact O-N 3.34Å; V8-W11 VanDerWaalsContact O-N 3.13Å; W11-Q15 VanDerWaalsContact CA-OE1 3.24Å; W11-Q15 HydrophobicContact CB-CB 4.03Å; W11-Q15 HydrophobicContact CG-CB 4.26Å; W11-V16 HydrophobicContact CB-CG2 4.27Å; W11-V16 HydrophobicContact CE3-CG2 4.38Å; W11-W19 HydrophobicContact CZ3-CB 4.04Å; W11-W19 HydrophobicContact CZ3-CG 4.04Å; W11-G41 PolarHBondContact O-N 2.76Å; W11-L73 HydrophobicContact CH2-CD1 4.17Å; W11-L73 HydrophobicContact CH2-CD2 3.74Å; W11-L73 HydrophobicContact CZ3-CD1 3.93Å; W11-L73 HydrophobicContact CZ3-CD2 4.34Å; W11-T275 HydrophobicContact CH2-CG2 3.71Å; W11-T275 HydrophobicContact CZ2-CG2 3.92Å; W11-T275 WeakPolarHBondContact CZ2-OG1 3.4Å
12S88Confident79Confident39 Ų3948.5 Ų48.527%0.27327%0.27SS..  trans-65.5158.1170.770.90000111.2K10 S14 Q15 V16K10-S12 PolarHBondContact O-N 3.24Å; S12-S14 PolarHBondContact O-N 3.3Å; S12-S14 PolarHBondContact OG-N 3.45Å; S12-S14 PolarHBondContact OG-OG 3.26Å; S12-Q15 PolarHBondContact O-N 3.28Å; S12-Q15 VanDerWaalsContact O-N 3.07Å; S12-Q15 WeakPolarHBondContact OG-CG 3.22Å; S12-Q15 PolarHBondContact OG-N 2.77Å; S12-Q15 VanDerWaalsContact OG-N 3.11Å; S12-Q15 PolarHBondContact OG-OE1 3.25Å; S12-V16 PolarHBondContact O-N 3.43Å
13P88.3Confident81.7Confident43 Ų4344.5 Ų44.528%0.27924%0.236SC..Hα-helixtrans-58.8-27.9172.4-25.836000113.4V17 K38 V39P13-V17 WeakPolarHBondContact O-CB 3.49Å; P13-V17 VanDerWaalsContact O-CG2 3.31Å; P13-V17 WeakPolarHBondContact O-CG2 3.18Å; P13-V17 PolarHBondContact O-N 2.92Å; P13-K38 HydrophobicContact CB-CB 4.33Å; P13-K38 HydrophobicContact CG-CB 4.01Å; P13-K38 WeakPolarHBondContact CG-O 3.42Å; P13-V39 WeakPolarHBondContact CA-O 3.46Å
14S88.1Confident83.7Confident72 Ų7240.9 Ų40.950%0.50322%0.217SC..Hα-helixtrans-68.2-43.1172.9540000112.5S12 V16 V17 D18S12-S14 PolarHBondContact O-N 3.3Å; S12-S14 PolarHBondContact OG-N 3.45Å; S12-S14 PolarHBondContact OG-OG 3.26Å; S14-V16 VanDerWaalsContact C-N 3.33Å; S14-V16 PolarHBondContact O-N 2.6Å; S14-V17 WeakPolarHBondContact O-CB 3.48Å; S14-V17 PolarHBondContact O-N 2.97Å; S14-D18 WeakPolarHBondContact O-CB 3.3Å; S14-D18 PolarHBondContact O-N 3.38Å
15Q87.4Confident85.1Confident68 Ų6841.4 Ų41.432%0.31822%0.221SC..Hα-helixtrans-64.1-36.8174.6-73.1166.7-41.300112W11 S12 D18 W19W11-Q15 VanDerWaalsContact CA-OE1 3.24Å; W11-Q15 HydrophobicContact CB-CB 4.03Å; W11-Q15 HydrophobicContact CG-CB 4.26Å; S12-Q15 PolarHBondContact O-N 3.28Å; S12-Q15 VanDerWaalsContact O-N 3.07Å; S12-Q15 WeakPolarHBondContact OG-CG 3.22Å; S12-Q15 PolarHBondContact OG-N 2.77Å; S12-Q15 VanDerWaalsContact OG-N 3.11Å; S12-Q15 PolarHBondContact OG-OE1 3.25Å; Q15-D18 PolarHBondContact O-N 3.4Å; Q15-W19 WeakPolarHBondContact O-CB 3.46Å; Q15-W19 PolarHBondContact O-N 3.12Å
16V88.7Confident85.9Confident1 Ų142.4 Ų42.41%0.00623%0.229CC..Hα-helixtrans-64-44.7172.4170.30000111.2W11 S12 S14 W19 M20 F34 L44W11-V16 HydrophobicContact CB-CG2 4.27Å; W11-V16 HydrophobicContact CE3-CG2 4.38Å; S12-V16 PolarHBondContact O-N 3.43Å; S14-V16 VanDerWaalsContact C-N 3.33Å; S14-V16 PolarHBondContact O-N 2.6Å; V16-W19 PolarHBondContact O-N 3.43Å; V16-M20 WeakPolarHBondContact O-CB 3.48Å; V16-M20 PolarHBondContact O-N 2.93Å; V16-F34 HydrophobicContact CG1-CD1 4.48Å; V16-L44 HydrophobicContact CG1-CD1 4.48Å; V16-L44 HydrophobicContact CG1-CD2 4.11Å; V16-L44 HydrophobicContact CG2-CD2 4.18Å
17V89.8Confident86.5Confident6 Ų637.9 Ų37.94%0.03621%0.208CC..Hα-helixtrans-61.8-44174.7154.90000112P13 S14 M20 K21 I31 E35P13-V17 WeakPolarHBondContact O-CB 3.49Å; P13-V17 VanDerWaalsContact O-CG2 3.31Å; P13-V17 WeakPolarHBondContact O-CG2 3.18Å; P13-V17 PolarHBondContact O-N 2.92Å; S14-V17 WeakPolarHBondContact O-CB 3.48Å; S14-V17 PolarHBondContact O-N 2.97Å; V17-M20 PolarHBondContact O-N 3.03Å; V17-K21 WeakPolarHBondContact O-CG 3.25Å; V17-K21 PolarHBondContact O-N 3.16Å; V17-I31 HydrophobicContact CG1-CG2 3.69Å; V17-I31 HydrophobicContact CG2-CG2 4.29Å; V17-E35 HydrophobicContact CG2-CB 3.92Å
18D88Confident87Confident62 Ų6239.4 Ų39.433%0.33221%0.212SC..Hα-helixtrans-69.8-34.1179.2-72.4-35.6000112.5S14 Q15 K21 W279S14-D18 WeakPolarHBondContact O-CB 3.3Å; S14-D18 PolarHBondContact O-N 3.38Å; Q15-D18 PolarHBondContact O-N 3.4Å; D18-K21 WeakPolarHBondContact OD1-CE 3.3Å; D18-K21 IonicContact OD1-NZ 2.75Å; D18-K21 PolarHBondContact OD1-NZ 2.96Å; D18-W279 WeakPolarHBondContact O-CZ2 3.39Å
19W90.8Very high87.3Confident0 Ų044.4 Ų44.40%024%0.236CC..Hα-helixtrans-63.9-45.916717178.7000112.1W11 Q15 V16 K21 G22 L23 L44 A69 V70 L73 V277 W279W11-W19 HydrophobicContact CZ3-CB 4.04Å; W11-W19 HydrophobicContact CZ3-CG 4.04Å; Q15-W19 WeakPolarHBondContact O-CB 3.46Å; Q15-W19 PolarHBondContact O-N 3.12Å; V16-W19 PolarHBondContact O-N 3.43Å; W19-K21 VanDerWaalsContact C-N 3.28Å; W19-K21 PolarHBondContact O-N 2.72Å; W19-G22 PolarHBondContact O-N 3.03Å; W19-L23 HydrophobicContact CE3-CD1 4.43Å; W19-L23 HydrophobicContact CH2-CD1 3.79Å; W19-L23 HydrophobicContact CH2-CD2 4.34Å; W19-L23 HydrophobicContact CZ2-CD1 4.13Å; W19-L23 HydrophobicContact CZ2-CD2 3.82Å; W19-L23 HydrophobicContact CZ2-CG 4.47Å; W19-L23 HydrophobicContact CZ3-CD1 3.94Å; W19-L44 HydrophobicContact CE3-CD2 3.96Å; W19-L44 HydrophobicContact CH2-CD2 4.35Å; W19-L44 HydrophobicContact CZ3-CD1 4.02Å; W19-L44 HydrophobicContact CZ3-CD2 3.77Å; W19-L44 HydrophobicContact CZ3-CG 4.46Å; W19-A69 HydrophobicContact CH2-CB 3.94Å; W19-A69 HydrophobicContact CZ2-CB 3.66Å; W19-V70 HydrophobicContact CH2-CG2 3.96Å; W19-L73 HydrophobicContact CD2-CD1 3.97Å; W19-L73 VanDerWaalsContact CE2-CD1 3.49Å; W19-L73 HydrophobicContact CE3-CD1 4.38Å; W19-L73 HydrophobicContact CH2-CD1 3.91Å; W19-L73 HydrophobicContact CZ2-CD1 3.44Å; W19-L73 VanDerWaalsContact CZ2-CD1 3.44Å; W19-L73 HydrophobicContact CZ2-CG 3.87Å; W19-L73 HydrophobicContact CZ3-CD1 4.36Å; W19-V277 PolarHBondContact NE1-O 3.26Å; W19-W279 AromaticContact CD1-CD1 3.91Å; W19-W279 AromaticContact CD1-NE1 3.36Å; W19-W279 AromaticContact CG-NE1 4Å; W19-W279 AromaticContact NE1-CD1 3.99Å; W19-W279 AromaticContact NE1-NE1 3.91Å; W19-W279 PolarHBondContact O-NE1 3.26Å
20M88.8Confident87.6Confident1 Ų143.1 Ų43.11%0.00522%0.224CC..Hα-helixtrans-66.8-28.5-176.5-164.7165.57000112.9V16 V17 G22 L23 I31 F34V16-M20 WeakPolarHBondContact O-CB 3.48Å; V16-M20 PolarHBondContact O-N 2.93Å; V17-M20 PolarHBondContact O-N 3.03Å; M20-G22 PolarHBondContact O-N 2.61Å; M20-L23 HydrophobicContact CG-CD1 4.1Å; M20-L23 PolarHBondContact O-N 2.85Å; M20-I31 HydrophobicContact CE-CB 4.22Å; M20-I31 HydrophobicContact CE-CG1 3.67Å; M20-F34 HydrophobicContact CE-CB 3.83Å; M20-F34 HydrophobicContact CE-CD1 4.13Å; M20-F34 HydrophobicContact CE-CD2 3.7Å; M20-F34 HydrophobicContact CE-CE2 4.27Å; M20-F34 HydrophobicContact CE-CG 3.62Å; M20-F34 HydrophobicContact SD-CD1 4.11Å; M20-F34 HydrophobicContact SD-CD2 4.22Å; M20-F34 HydrophobicContact SD-CE1 4.14Å; M20-F34 HydrophobicContact SD-CE2 4.24Å; M20-F34 HydrophobicContact SD-CG 4.16Å; M20-F34 HydrophobicContact SD-CZ 4.2Å
21K88.8Confident87.7Confident93 Ų9337.6 Ų37.640%0.40420%0.201SC..Hα-helixtrans-55.2-30.6170-74.2168.6-163166.40113.1V17 D18 W19 Q28 I31V17-K21 WeakPolarHBondContact O-CG 3.25Å; V17-K21 PolarHBondContact O-N 3.16Å; D18-K21 WeakPolarHBondContact OD1-CE 3.3Å; D18-K21 IonicContact OD1-NZ 2.75Å; D18-K21 PolarHBondContact OD1-NZ 2.96Å; W19-K21 VanDerWaalsContact C-N 3.28Å; W19-K21 PolarHBondContact O-N 2.72Å; K21-Q28 PolarHBondContact O-NE2 3.2Å; K21-I31 HydrophobicContact CB-CD1 4.4Å; K21-I31 HydrophobicContact CG-CD1 3.55Å
22G84.1Confident87.6Confident2 Ų245 Ų452%0.02123%0.234CC..THydrogen-bonded Turntrans-88.9-7.3-175.200000116.5W19 M20 W279 Q280 N283W19-G22 PolarHBondContact O-N 3.03Å; M20-G22 PolarHBondContact O-N 2.61Å; G22-W279 WeakPolarHBondContact O-CA 3.45Å; G22-W279 WeakPolarHBondContact O-CB 3.38Å; G22-Q280 PolarHBondContact O-N 3.45Å; G22-Q280 VanDerWaalsContact O-N 3.1Å; G22-N283 PolarHBondContact O-ND2 2.86Å
23L85.7Confident87.6Confident6 Ų645.4 Ų45.43%0.03123%0.234CC..SBendtrans-70.1-95.1-178.8-58-177.4000112.1W19 M20 L27 A69 G278 Q280W19-L23 HydrophobicContact CE3-CD1 4.43Å; W19-L23 HydrophobicContact CH2-CD1 3.79Å; W19-L23 HydrophobicContact CH2-CD2 4.34Å; W19-L23 HydrophobicContact CZ2-CD1 4.13Å; W19-L23 HydrophobicContact CZ2-CD2 3.82Å; W19-L23 HydrophobicContact CZ2-CG 4.47Å; W19-L23 HydrophobicContact CZ3-CD1 3.94Å; M20-L23 HydrophobicContact CG-CD1 4.1Å; M20-L23 PolarHBondContact O-N 2.85Å; L23-L27 HydrophobicContact CB-CD1 3.9Å; L23-L27 HydrophobicContact CD1-CD1 3.95Å; L23-A69 HydrophobicContact CD1-CB 4.18Å; L23-A69 HydrophobicContact CD2-CB 3.75Å; L23-G278 WeakPolarHBondContact CD2-O 3.37Å; L23-Q280 WeakPolarHBondContact O-CB 3.4Å; L23-Q280 VanDerWaalsContact O-CD 3.31Å; L23-Q280 WeakPolarHBondContact O-CG 3.48Å
24D86.5Confident87.5Confident38 Ų3843.4 Ų43.420%0.20322%0.221CC..  trans-129156.5-179.8-170.7-74.5000110.9C26 L27 Q28 Q280D24-C26 VanDerWaalsContact C-N 3.28Å; D24-C26 PolarHBondContact O-N 2.72Å; D24-C26 WeakPolarHBondContact OD1-CB 3.2Å; D24-C26 PolarHBondContact OD1-N 3.06Å; D24-C26 PolarHBondContact OD1-SG 2.72Å; D24-L27 HydrophobicContact CB-CD1 4.36Å; D24-L27 HydrophobicContact CB-CG 4.28Å; D24-L27 PolarHBondContact O-N 3.42Å; D24-Q28 PolarHBondContact O-NE2 2.8Å; D24-Q280 PolarHBondContact OD2-NE2 3.28Å
25D86.2Confident87.5Confident102 Ų10245.5 Ų45.555%0.54522%0.223SC..THydrogen-bonded Turntrans-68.1-27.8179.6-55.5-23000111.8L27 Q28 K282D25-L27 VanDerWaalsContact C-N 3.29Å; D25-L27 PolarHBondContact O-N 2.74Å; D25-Q28 VanDerWaalsContact O-CG 3.28Å; D25-Q28 WeakPolarHBondContact O-CG 3.38Å; D25-K282 WeakPolarHBondContact OD1-CE 3.46Å; D25-K282 IonicContact OD1-NZ 2.73Å; D25-K282 PolarHBondContact OD1-NZ 3.14Å; D25-K282 IonicContact OD2-NZ 2.75Å; D25-K282 PolarHBondContact OD2-NZ 3.32Å
26C87.5Confident87.5Confident39 Ų3949.3 Ų49.326%0.26424%0.239SC..THydrogen-bonded Turntrans-74.2-17.2177.375.80000113.8D24 Q29 H62D24-C26 VanDerWaalsContact C-N 3.28Å; D24-C26 PolarHBondContact O-N 2.72Å; D24-C26 WeakPolarHBondContact OD1-CB 3.2Å; D24-C26 PolarHBondContact OD1-N 3.06Å; D24-C26 PolarHBondContact OD1-SG 2.72Å; C26-Q29 WeakPolarHBondContact O-CG 3.29Å; C26-H62 PolarHBondContact O-CE1 2.83Å
27L86.8Confident87.3Confident1 Ų153.8 Ų53.81%0.00526%0.259CS..THydrogen-bonded Turntrans-88.8-17.4178.3-59.9-178.8000112.8L23 D24 D25 Q29 Y30 H62 L65 I66L23-L27 HydrophobicContact CB-CD1 3.9Å; L23-L27 HydrophobicContact CD1-CD1 3.95Å; D24-L27 HydrophobicContact CB-CD1 4.36Å; D24-L27 HydrophobicContact CB-CG 4.28Å; D24-L27 PolarHBondContact O-N 3.42Å; D25-L27 VanDerWaalsContact C-N 3.29Å; D25-L27 PolarHBondContact O-N 2.74Å; L27-Q29 PolarHBondContact O-N 3.24Å; L27-Y30 HydrophobicContact CD2-CD2 4.24Å; L27-Y30 HydrophobicContact CD2-CE2 4.12Å; L27-Y30 WeakPolarHBondContact O-CD2 3.21Å; L27-Y30 PolarHBondContact O-N 2.89Å; L27-H62 HydrophobicContact CD2-CB 3.79Å; L27-L65 HydrophobicContact CD1-CB 4.21Å; L27-I66 HydrophobicContact CD1-CG1 3.81Å; L27-I66 HydrophobicContact CD2-CD1 4.16Å; L27-I66 HydrophobicContact CD2-CG1 4.07Å
28Q87.1Confident87.2Confident64 Ų6460.7 Ų60.730%0.29929%0.289SS..G310 helixtrans-56.5-30-177.7-52.9-65-51.400112.9K21 D24 D25 Y30 I31K21-Q28 PolarHBondContact O-NE2 3.2Å; D24-Q28 PolarHBondContact O-NE2 2.8Å; D25-Q28 VanDerWaalsContact O-CG 3.28Å; D25-Q28 WeakPolarHBondContact O-CG 3.38Å; Q28-Y30 PolarHBondContact O-N 2.74Å; Q28-I31 HydrophobicContact CB-CD1 4.16Å; Q28-I31 WeakPolarHBondContact O-CB 3.39Å; Q28-I31 WeakPolarHBondContact O-CG1 3.32Å; Q28-I31 PolarHBondContact O-N 3.49Å; Q28-I31 VanDerWaalsContact OE1-CD1 3.24Å
29Q88Confident87.1Confident105 Ų10557.8 Ų57.849%0.49127%0.274SS..G310 helixtrans-61.6-23.6177.867.7-176.918.700113.8C26 L27C26-Q29 WeakPolarHBondContact O-CG 3.29Å; L27-Q29 PolarHBondContact O-N 3.24Å
30Y87.3Confident86.9Confident16 Ų1658.7 Ų58.76%0.06328%0.282CS..G310 helixtrans-91.6-10.6-179.9-53.9-65000114.1L27 Q28 K32 T33 F34 G56 V57 H62L27-Y30 HydrophobicContact CD2-CD2 4.24Å; L27-Y30 HydrophobicContact CD2-CE2 4.12Å; L27-Y30 WeakPolarHBondContact O-CD2 3.21Å; L27-Y30 PolarHBondContact O-N 2.89Å; Q28-Y30 PolarHBondContact O-N 2.74Å; Y30-K32 VanDerWaalsContact C-N 3.25Å; Y30-K32 PolarHBondContact O-N 3.07Å; Y30-T33 WeakPolarHBondContact O-CA 3.37Å; Y30-T33 WeakPolarHBondContact O-CB 3.22Å; Y30-T33 PolarHBondContact O-N 3.41Å; Y30-F34 PolarHBondContact O-N 3.45Å; Y30-G56 WeakPolarHBondContact CE1-O 3.32Å; Y30-V57 HydrophobicContact CD1-CG2 3.84Å; Y30-V57 HydrophobicContact CD2-CG1 4.4Å; Y30-V57 HydrophobicContact CD2-CG2 4.1Å; Y30-V57 HydrophobicContact CE1-CB 4.27Å; Y30-V57 HydrophobicContact CE1-CG1 4.42Å; Y30-V57 HydrophobicContact CE1-CG2 4Å; Y30-V57 HydrophobicContact CE2-CB 4.5Å; Y30-V57 HydrophobicContact CE2-CG1 3.85Å; Y30-V57 HydrophobicContact CE2-CG2 4.25Å; Y30-V57 HydrophobicContact CG-CG2 3.89Å; Y30-H62 HydrophobicContact CE2-CB 4.14Å; Y30-H62 AromaticContact CE2-ND1 3.3Å; Y30-H62 VanDerWaalsContact CE2-ND1 3.3Å; Y30-H62 WeakPolarHBondContact CE2-ND1 3.37Å; Y30-H62 AromaticContact CZ-ND1 3.57Å; Y30-H62 PolarHBondContact OH-ND1 3.16Å
31I87.3Confident86.8Confident18 Ų1858.7 Ų58.79%0.09228%0.283CS..Hα-helixtrans-54.1-45.2-177.5-69.9169.2000111.1V17 M20 K21 Q28 T33 F34 E35V17-I31 HydrophobicContact CG1-CG2 3.69Å; V17-I31 HydrophobicContact CG2-CG2 4.29Å; M20-I31 HydrophobicContact CE-CB 4.22Å; M20-I31 HydrophobicContact CE-CG1 3.67Å; K21-I31 HydrophobicContact CB-CD1 4.4Å; K21-I31 HydrophobicContact CG-CD1 3.55Å; Q28-I31 HydrophobicContact CB-CD1 4.16Å; Q28-I31 WeakPolarHBondContact O-CB 3.39Å; Q28-I31 WeakPolarHBondContact O-CG1 3.32Å; Q28-I31 PolarHBondContact O-N 3.49Å; Q28-I31 VanDerWaalsContact OE1-CD1 3.24Å; I31-T33 PolarHBondContact O-N 2.83Å; I31-F34 PolarHBondContact O-N 3.08Å; I31-E35 VanDerWaalsContact O-CB 3.27Å; I31-E35 WeakPolarHBondContact O-CB 3.37Å; I31-E35 PolarHBondContact O-N 3.18Å
32K86.1Confident86.6Confident170 Ų17057.6 Ų57.674%0.73928%0.282SS*.Hα-helixtrans-63.8-26.3178.7-62.1-174.1178.7-175.10113.1Y30 K36Y30-K32 VanDerWaalsContact C-N 3.25Å; Y30-K32 PolarHBondContact O-N 3.07Å; K32-K36 WeakPolarHBondContact O-CB 3.19Å; K32-K36 PolarHBondContact O-N 3.41Å; K32-K36 VanDerWaalsContact O-N 3.15Å
33T87.7Confident86.7Confident46 Ų4661.1 Ų61.128%0.28230%0.297SS..Hα-helixtrans-79.2-46.6175.3-42.70000111Y30 I31 E35 K36 E37 L55Y30-T33 WeakPolarHBondContact O-CA 3.37Å; Y30-T33 WeakPolarHBondContact O-CB 3.22Å; Y30-T33 PolarHBondContact O-N 3.41Å; I31-T33 PolarHBondContact O-N 2.83Å; T33-E35 VanDerWaalsContact C-N 3.28Å; T33-E35 PolarHBondContact O-N 2.95Å; T33-K36 PolarHBondContact O-N 2.81Å; T33-E37 HydrophobicContact CG2-CG 4.37Å; T33-E37 WeakPolarHBondContact O-CG 3.26Å; T33-E37 PolarHBondContact O-N 3.3Å; T33-L55 WeakPolarHBondContact CG2-O 3.48Å
34F86.2Confident86.7Confident2 Ų260.9 Ų60.91%0.00930%0.296CS..Hα-helixtrans-62.2-36176.2-83.8-116.9000112.2V16 M20 Y30 I31 K38 V39 I47 L52 L55 V57 I66V16-F34 HydrophobicContact CG1-CD1 4.48Å; M20-F34 HydrophobicContact CE-CB 3.83Å; M20-F34 HydrophobicContact CE-CD1 4.13Å; M20-F34 HydrophobicContact CE-CD2 3.7Å; M20-F34 HydrophobicContact CE-CE2 4.27Å; M20-F34 HydrophobicContact CE-CG 3.62Å; M20-F34 HydrophobicContact SD-CD1 4.11Å; M20-F34 HydrophobicContact SD-CD2 4.22Å; M20-F34 HydrophobicContact SD-CE1 4.14Å; M20-F34 HydrophobicContact SD-CE2 4.24Å; M20-F34 HydrophobicContact SD-CG 4.16Å; M20-F34 HydrophobicContact SD-CZ 4.2Å; Y30-F34 PolarHBondContact O-N 3.45Å; I31-F34 PolarHBondContact O-N 3.08Å; F34-K38 WeakPolarHBondContact O-CA 3.27Å; F34-K38 PolarHBondContact O-N 3.16Å; F34-V39 HydrophobicContact CB-CG2 4.41Å; F34-V39 HydrophobicContact CD1-CB 3.9Å; F34-V39 HydrophobicContact CD1-CG1 4.1Å; F34-V39 HydrophobicContact CD1-CG2 3.86Å; F34-V39 HydrophobicContact CE1-CG1 4.32Å; F34-V39 HydrophobicContact CE1-CG2 4.42Å; F34-V39 HydrophobicContact CG-CG2 4.21Å; F34-V39 PolarHBondContact O-N 2.85Å; F34-V39 VanDerWaalsContact O-N 3.11Å; F34-I47 HydrophobicContact CE1-CD1 4.06Å; F34-I47 HydrophobicContact CZ-CD1 4.13Å; F34-L52 HydrophobicContact CZ-CD2 3.93Å; F34-L55 HydrophobicContact CE1-CD1 4.24Å; F34-L55 HydrophobicContact CE2-CB 4.22Å; F34-L55 HydrophobicContact CE2-CD1 4.13Å; F34-L55 HydrophobicContact CZ-CD1 3.9Å; F34-V57 HydrophobicContact CE2-CG2 4.1Å; F34-I66 HydrophobicContact CZ-CD1 4.43Å
35E88.1Confident86.7Confident116 Ų11659.7 Ų59.754%0.54229%0.29SS..Hα-helixtrans-66.2-45.2172.6-172.9172.3-148.700112.1V17 I31 T33 K38V17-E35 HydrophobicContact CG2-CB 3.92Å; I31-E35 VanDerWaalsContact O-CB 3.27Å; I31-E35 WeakPolarHBondContact O-CB 3.37Å; I31-E35 PolarHBondContact O-N 3.18Å; T33-E35 VanDerWaalsContact C-N 3.28Å; T33-E35 PolarHBondContact O-N 2.95Å; E35-K38 WeakPolarHBondContact O-CG 3.26Å; E35-K38 PolarHBondContact O-N 3.06Å
36K87.1Confident86.5Confident148 Ų14861.6 Ų61.664%0.64329%0.289SS*.Hα-helixtrans-64.5-46.5178.6176.3179.1169.2-77.40112.6K32 T33 K38K32-K36 WeakPolarHBondContact O-CB 3.19Å; K32-K36 PolarHBondContact O-N 3.41Å; K32-K36 VanDerWaalsContact O-N 3.15Å; T33-K36 PolarHBondContact O-N 2.81Å; K36-K38 PolarHBondContact O-N 3.38Å
37E86.3Confident86.5Confident94 Ų9460.3 Ų60.344%0.43928%0.279SS..THydrogen-bonded Turntrans-80.6-2.5177.5-55.7-44.4132.300112.9T33 V39 L55T33-E37 HydrophobicContact CG2-CG 4.37Å; T33-E37 WeakPolarHBondContact O-CG 3.26Å; T33-E37 PolarHBondContact O-N 3.3Å; E37-V39 HydrophobicContact CB-CG2 4.42Å; E37-V39 PolarHBondContact O-N 3.2Å; E37-L55 HydrophobicContact CB-CD2 3.78Å; E37-L55 HydrophobicContact CG-CD2 3.72Å
38K86.8Confident86.5Confident152 Ų15263.4 Ų63.466%0.66130%0.299SS*.THydrogen-bonded Turntrans54.345.4174.9-60.3-178.3-178.7179.70113.8P13 F34 E35 K36 G40P13-K38 HydrophobicContact CB-CB 4.33Å; P13-K38 HydrophobicContact CG-CB 4.01Å; P13-K38 WeakPolarHBondContact CG-O 3.42Å; F34-K38 WeakPolarHBondContact O-CA 3.27Å; F34-K38 PolarHBondContact O-N 3.16Å; E35-K38 WeakPolarHBondContact O-CG 3.26Å; E35-K38 PolarHBondContact O-N 3.06Å; K36-K38 PolarHBondContact O-N 3.38Å; K38-G40 PolarHBondContact O-N 2.87Å
39V85.9Confident86.5Confident1 Ų165.4 Ų65.41%0.00631%0.308CS..  trans-60.8108.9-179.2-177.50000110.1P13 F34 E37 Q43 L44 L55P13-V39 WeakPolarHBondContact CA-O 3.46Å; F34-V39 HydrophobicContact CB-CG2 4.41Å; F34-V39 HydrophobicContact CD1-CB 3.9Å; F34-V39 HydrophobicContact CD1-CG1 4.1Å; F34-V39 HydrophobicContact CD1-CG2 3.86Å; F34-V39 HydrophobicContact CE1-CG1 4.32Å; F34-V39 HydrophobicContact CE1-CG2 4.42Å; F34-V39 HydrophobicContact CG-CG2 4.21Å; F34-V39 PolarHBondContact O-N 2.85Å; F34-V39 VanDerWaalsContact O-N 3.11Å; E37-V39 HydrophobicContact CB-CG2 4.42Å; E37-V39 PolarHBondContact O-N 3.2Å; V39-Q43 HydrophobicContact CG1-CB 4.28Å; V39-Q43 HydrophobicContact CG1-CG 4.28Å; V39-L44 HydrophobicContact CG1-CB 4.49Å; V39-L55 HydrophobicContact CG2-CD1 4.03Å; V39-L55 HydrophobicContact CG2-CD2 3.93Å
40G87.7Confident86.4Confident18 Ų1865.7 Ų65.719%0.18631%0.309CS..  trans-84.9164.2178.100000112.8K38 D42 Q43 L44K38-G40 PolarHBondContact O-N 2.87Å; G40-D42 VanDerWaalsContact C-N 3.33Å; G40-D42 PolarHBondContact O-N 2.97Å; G40-Q43 WeakPolarHBondContact O-CB 3.48Å; G40-Q43 PolarHBondContact O-N 3.49Å; G40-L44 PolarHBondContact O-N 2.86Å
41G85.7Confident86.3Confident1 Ų168.1 Ų68.11%0.0132%0.321CS..Hα-helixtrans-58.6-38.2-176.400000114.9V8 W11 Q43 L44 L45V8-G41 CarbonylContact O-C 3.55Å; V8-G41 VanDerWaalsContact O-CA 3.25Å; V8-G41 WeakPolarHBondContact O-CA 3.43Å; W11-G41 PolarHBondContact O-N 2.76Å; G41-Q43 VanDerWaalsContact C-N 3.29Å; G41-Q43 PolarHBondContact O-N 2.79Å; G41-L44 PolarHBondContact O-N 3.33Å; G41-L45 WeakPolarHBondContact O-CG 3.41Å; G41-L45 PolarHBondContact O-N 3.08Å
42D84.6Confident86.3Confident71 Ų7167.2 Ų67.238%0.3832%0.317SS..Hα-helixtrans-64.5-29.7174.6-175.361.9000113.6S9 G40 R46S9-D42 WeakPolarHBondContact O-CB 3.46Å; S9-D42 PolarHBondContact O-N 2.86Å; G40-D42 VanDerWaalsContact C-N 3.33Å; G40-D42 PolarHBondContact O-N 2.97Å; D42-R46 VanDerWaalsContact O-CZ 3.25Å; D42-R46 PolarHBondContact O-NH1 3.38Å; D42-R46 PolarHBondContact O-NH2 3.28Å; D42-R46 IonicContact OD1-CZ 3.78Å; D42-R46 IonicContact OD1-NH1 2.97Å; D42-R46 PolarHBondContact OD1-NH1 3.22Å; D42-R46 IonicContact OD2-CZ 3.82Å; D42-R46 VanDerWaalsContact OD2-CZ 3.23Å; D42-R46 IonicContact OD2-NH1 2.68Å; D42-R46 PolarHBondContact OD2-NH1 2.67Å; D42-R46 IonicContact OD2-NH2 2.71Å; D42-R46 PolarHBondContact OD2-NH2 2.79Å
43Q85.2Confident86.4Confident76 Ų7663.4 Ų63.436%0.35530%0.301SS..Hα-helixtrans-79-42.5174.3-172.1179.110.500110.7V39 G40 G41 L45 R46 I47V39-Q43 HydrophobicContact CG1-CB 4.28Å; V39-Q43 HydrophobicContact CG1-CG 4.28Å; G40-Q43 WeakPolarHBondContact O-CB 3.48Å; G40-Q43 PolarHBondContact O-N 3.49Å; G41-Q43 VanDerWaalsContact C-N 3.29Å; G41-Q43 PolarHBondContact O-N 2.79Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-L45 PolarHBondContact O-N 3.44Å; Q43-R46 PolarHBondContact O-N 3.31Å; Q43-R46 VanDerWaalsContact O-N 3.07Å; Q43-I47 PolarHBondContact O-N 3.26Å; Q43-I47 VanDerWaalsContact O-N 3.17Å
44L87.6Confident86.3Confident1 Ų166.9 Ų66.91%0.00532%0.318CS..Hα-helixtrans-56.1-43.7176-177.370.5000111.9V16 W19 V39 G40 G41 R46 I47 V70 L73V16-L44 HydrophobicContact CG1-CD1 4.48Å; V16-L44 HydrophobicContact CG1-CD2 4.11Å; V16-L44 HydrophobicContact CG2-CD2 4.18Å; W19-L44 HydrophobicContact CE3-CD2 3.96Å; W19-L44 HydrophobicContact CH2-CD2 4.35Å; W19-L44 HydrophobicContact CZ3-CD1 4.02Å; W19-L44 HydrophobicContact CZ3-CD2 3.77Å; W19-L44 HydrophobicContact CZ3-CG 4.46Å; V39-L44 HydrophobicContact CG1-CB 4.49Å; G40-L44 PolarHBondContact O-N 2.86Å; G41-L44 PolarHBondContact O-N 3.33Å; L44-R46 PolarHBondContact O-N 3.35Å; L44-I47 WeakPolarHBondContact O-CB 3.26Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.42Å; L44-I47 PolarHBondContact O-N 3.47Å; L44-V70 HydrophobicContact CD1-CG2 3.7Å; L44-V70 HydrophobicContact CG-CG2 3.91Å; L44-V70 VanDerWaalsContact O-CG1 3.32Å; L44-V70 WeakPolarHBondContact O-CG1 3.44Å; L44-L73 HydrophobicContact CD2-CD1 3.83Å
45L84.8Confident86.2Confident13 Ų1367.5 Ų67.57%0.06832%0.322CS..THydrogen-bonded Turntrans-66.6-11.2178.6-70.9174.4000114.9V8 G41 Q43 L73 C74 N77V8-L45 HydrophobicContact CB-CD1 4.05Å; V8-L45 HydrophobicContact CB-CD2 4.14Å; V8-L45 HydrophobicContact CB-CG 4.34Å; V8-L45 HydrophobicContact CG1-CD1 4.19Å; V8-L45 HydrophobicContact CG1-CD2 3.81Å; V8-L45 HydrophobicContact CG1-CG 3.96Å; G41-L45 WeakPolarHBondContact O-CG 3.41Å; G41-L45 PolarHBondContact O-N 3.08Å; Q43-L45 VanDerWaalsContact C-N 3.31Å; Q43-L45 PolarHBondContact O-N 3.44Å; L45-L73 HydrophobicContact CD2-CB 4.28Å; L45-C74 VanDerWaalsContact CD2-SG 3.55Å; L45-N77 HydrophobicContact CD2-CB 4.42Å
46R83.8Confident85.9Confident141 Ų14164 Ų6453%0.53232%0.316SS..THydrogen-bonded Turntrans-115.43.1176.8-69.2-166.7-61.9-84.9-3.3113.4D42 Q43 L44 T48D42-R46 VanDerWaalsContact O-CZ 3.25Å; D42-R46 PolarHBondContact O-NH1 3.38Å; D42-R46 PolarHBondContact O-NH2 3.28Å; D42-R46 IonicContact OD1-CZ 3.78Å; D42-R46 IonicContact OD1-NH1 2.97Å; D42-R46 PolarHBondContact OD1-NH1 3.22Å; D42-R46 IonicContact OD2-CZ 3.82Å; D42-R46 VanDerWaalsContact OD2-CZ 3.23Å; D42-R46 IonicContact OD2-NH1 2.68Å; D42-R46 PolarHBondContact OD2-NH1 2.67Å; D42-R46 IonicContact OD2-NH2 2.71Å; D42-R46 PolarHBondContact OD2-NH2 2.79Å; Q43-R46 PolarHBondContact O-N 3.31Å; Q43-R46 VanDerWaalsContact O-N 3.07Å; L44-R46 PolarHBondContact O-N 3.35Å; R46-T48 PolarHBondContact O-N 3.01Å
47I86.8Confident85.9Confident12 Ų1256.9 Ų56.96%0.06229%0.285CS..  trans-62125.4-165.9-156.8172.3000111.6F34 Q43 L44 E51 L52 L55 L67 V70F34-I47 HydrophobicContact CE1-CD1 4.06Å; F34-I47 HydrophobicContact CZ-CD1 4.13Å; Q43-I47 PolarHBondContact O-N 3.26Å; Q43-I47 VanDerWaalsContact O-N 3.17Å; L44-I47 WeakPolarHBondContact O-CB 3.26Å; L44-I47 VanDerWaalsContact O-CG2 3.23Å; L44-I47 WeakPolarHBondContact O-CG2 3.42Å; L44-I47 PolarHBondContact O-N 3.47Å; I47-E51 HydrophobicContact CG1-CB 4.16Å; I47-L52 HydrophobicContact CD1-CD2 3.62Å; I47-L52 HydrophobicContact CD1-CG 3.97Å; I47-L52 HydrophobicContact CG1-CD2 4.29Å; I47-L52 HydrophobicContact CG1-CG 4.07Å; I47-L55 HydrophobicContact CD1-CD1 3.84Å; I47-L67 HydrophobicContact CG2-CD2 4.01Å; I47-L67 WeakPolarHBondContact O-CD2 3.3Å; I47-V70 HydrophobicContact CG2-CG1 4.33Å; I47-V70 HydrophobicContact CG2-CG2 4.16Å
48T86.6Confident85.8Confident66 Ų6656.8 Ų56.841%0.40530%0.295SS..  trans-96.4165.2-179.9610000112.1R46 Q50 E51 L52R46-T48 PolarHBondContact O-N 3.01Å; T48-Q50 PolarHBondContact O-N 3.22Å; T48-E51 WeakPolarHBondContact CB-OE2 3.38Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.37Å; T48-E51 PolarHBondContact N-OE2 3.44Å; T48-E51 PolarHBondContact O-N 3.08Å; T48-E51 WeakPolarHBondContact OG1-CG 3.28Å; T48-E51 PolarHBondContact OG1-N 2.83Å; T48-E51 PolarHBondContact OG1-OE2 2.87Å; T48-L52 WeakPolarHBondContact O-CG 3.07Å; T48-L52 PolarHBondContact O-N 3.47Å
49H86.4Confident85.8Confident107 Ų10756 Ų5650%0.49529%0.288SS..Hα-helixtrans-54.1-39.2170.9-67.584000112L52 E53 L67H49-L52 PolarHBondContact O-N 2.89Å; H49-E53 PolarHBondContact O-N 2.93Å; H49-E53 VanDerWaalsContact O-N 3.09Å; H49-L67 VanDerWaalsContact CE1-CD1 3.46Å; H49-L67 WeakPolarHBondContact CE1-CD1 3.36Å; H49-L67 WeakPolarHBondContact NE2-CD1 3.48Å
50Q85.6Confident85.8Confident111 Ų11161.4 Ų61.452%0.51932%0.315SS..Hα-helixtrans-67.5-47.3178.6-173.462.165.500111.8T48 L52 E53 D54T48-Q50 PolarHBondContact O-N 3.22Å; Q50-L52 PolarHBondContact O-N 2.97Å; Q50-E53 WeakPolarHBondContact O-CB 3.31Å; Q50-E53 PolarHBondContact O-N 3.1Å; Q50-D54 PolarHBondContact NE2-OD1 3Å; Q50-D54 VanDerWaalsContact O-CG 3.22Å; Q50-D54 PolarHBondContact O-N 2.83Å
51E86Confident85.7Confident66 Ų6662.4 Ų62.431%0.30833%0.325SS..Hα-helixtrans-63.3-31.4177.5-70.1161.3122.800111.8I47 T48 D54 L55I47-E51 HydrophobicContact CG1-CB 4.16Å; T48-E51 WeakPolarHBondContact CB-OE2 3.38Å; T48-E51 WeakPolarHBondContact CG2-OE2 3.37Å; T48-E51 PolarHBondContact N-OE2 3.44Å; T48-E51 PolarHBondContact O-N 3.08Å; T48-E51 WeakPolarHBondContact OG1-CG 3.28Å; T48-E51 PolarHBondContact OG1-N 2.83Å; T48-E51 PolarHBondContact OG1-OE2 2.87Å; E51-D54 PolarHBondContact O-N 2.99Å; E51-L55 VanDerWaalsContact O-CB 3.31Å; E51-L55 WeakPolarHBondContact O-CB 3.27Å; E51-L55 WeakPolarHBondContact O-CD1 3.32Å; E51-L55 WeakPolarHBondContact O-CG 3.34Å; E51-L55 PolarHBondContact O-N 2.72Å
52L87.7Confident85.9Confident0 Ų063.3 Ų63.30%033%0.329CS..Hα-helixtrans-65.7-39.7170.8-77.8170.1000112.4F34 I47 T48 H49 Q50 L55 G56 V57 Q63 I66 L67F34-L52 HydrophobicContact CZ-CD2 3.93Å; I47-L52 HydrophobicContact CD1-CD2 3.62Å; I47-L52 HydrophobicContact CD1-CG 3.97Å; I47-L52 HydrophobicContact CG1-CD2 4.29Å; I47-L52 HydrophobicContact CG1-CG 4.07Å; T48-L52 WeakPolarHBondContact O-CG 3.07Å; T48-L52 PolarHBondContact O-N 3.47Å; H49-L52 PolarHBondContact O-N 2.89Å; Q50-L52 PolarHBondContact O-N 2.97Å; L52-L55 CarbonylContact O-C 3.55Å; L52-L55 PolarHBondContact O-N 3.03Å; L52-G56 PolarHBondContact O-N 2.72Å; L52-V57 HydrophobicContact CB-CB 4.22Å; L52-V57 HydrophobicContact CD2-CB 4.37Å; L52-V57 HydrophobicContact CD2-CG2 4.09Å; L52-V57 WeakPolarHBondContact O-CA 3.39Å; L52-V57 WeakPolarHBondContact O-CB 3.48Å; L52-V57 PolarHBondContact O-N 3.47Å; L52-Q63 HydrophobicContact CB-CG 4.22Å; L52-Q63 HydrophobicContact CD1-CB 4.1Å; L52-Q63 HydrophobicContact CD1-CG 4.42Å; L52-I66 HydrophobicContact CD2-CB 4.46Å; L52-I66 HydrophobicContact CD2-CD1 3.94Å; L52-I66 HydrophobicContact CD2-CG2 4.06Å; L52-L67 HydrophobicContact CD1-CD1 3.96Å; L52-L67 HydrophobicContact CD1-CD2 3.81Å; L52-L67 HydrophobicContact CD1-CG 3.66Å
53E87.1Confident86Confident90 Ų9060.1 Ų60.142%0.42131%0.312SS..Hα-helixtrans-65.8-41.5173.4-70.2-172.717600112.3H49 Q50 L55 G56 Q63H49-E53 PolarHBondContact O-N 2.93Å; H49-E53 VanDerWaalsContact O-N 3.09Å; Q50-E53 WeakPolarHBondContact O-CB 3.31Å; Q50-E53 PolarHBondContact O-N 3.1Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 2.79Å; E53-G56 WeakPolarHBondContact O-CA 3.26Å; E53-G56 PolarHBondContact O-N 2.83Å; E53-Q63 PolarHBondContact OE1-NE2 3.21Å
54D85.8Confident86.1Confident119 Ų11961.7 Ų61.764%0.63632%0.319SS*.Hα-helixtrans-65-33.5176.8-60-12.4000111.4Q50 E51 G56Q50-D54 PolarHBondContact NE2-OD1 3Å; Q50-D54 VanDerWaalsContact O-CG 3.22Å; Q50-D54 PolarHBondContact O-N 2.83Å; E51-D54 PolarHBondContact O-N 2.99Å; D54-G56 PolarHBondContact O-N 2.85Å
55L84.5Confident86.1Confident15 Ų1564.9 Ų64.98%0.07934%0.336CS..THydrogen-bonded Turntrans-76.37.5168.6-69.6167.1000113.8T33 F34 E37 V39 I47 E51 L52 E53T33-L55 WeakPolarHBondContact CG2-O 3.48Å; F34-L55 HydrophobicContact CE1-CD1 4.24Å; F34-L55 HydrophobicContact CE2-CB 4.22Å; F34-L55 HydrophobicContact CE2-CD1 4.13Å; F34-L55 HydrophobicContact CZ-CD1 3.9Å; E37-L55 HydrophobicContact CB-CD2 3.78Å; E37-L55 HydrophobicContact CG-CD2 3.72Å; V39-L55 HydrophobicContact CG2-CD1 4.03Å; V39-L55 HydrophobicContact CG2-CD2 3.93Å; I47-L55 HydrophobicContact CD1-CD1 3.84Å; E51-L55 VanDerWaalsContact O-CB 3.31Å; E51-L55 WeakPolarHBondContact O-CB 3.27Å; E51-L55 WeakPolarHBondContact O-CD1 3.32Å; E51-L55 WeakPolarHBondContact O-CG 3.34Å; E51-L55 PolarHBondContact O-N 2.72Å; L52-L55 CarbonylContact O-C 3.55Å; L52-L55 PolarHBondContact O-N 3.03Å; E53-L55 VanDerWaalsContact C-N 3.29Å; E53-L55 PolarHBondContact O-N 2.79Å
56G82.1Confident86.3Confident41 Ų4164.3 Ų64.342%0.42333%0.333SS..THydrogen-bonded Turntrans82.95.8175.600000115.5Y30 L52 E53 D54 S58Y30-G56 WeakPolarHBondContact CE1-O 3.32Å; L52-G56 PolarHBondContact O-N 2.72Å; E53-G56 WeakPolarHBondContact O-CA 3.26Å; E53-G56 PolarHBondContact O-N 2.83Å; D54-G56 PolarHBondContact O-N 2.85Å; G56-S58 PolarHBondContact O-N 2.69Å
57V87.2Confident86.4Confident0 Ų058.9 Ų58.90%032%0.315CS..  trans-83.362175.9-164.30000110.1Y30 F34 L52 R59 H62 Q63 I66Y30-V57 HydrophobicContact CD1-CG2 3.84Å; Y30-V57 HydrophobicContact CD2-CG1 4.4Å; Y30-V57 HydrophobicContact CD2-CG2 4.1Å; Y30-V57 HydrophobicContact CE1-CB 4.27Å; Y30-V57 HydrophobicContact CE1-CG1 4.42Å; Y30-V57 HydrophobicContact CE1-CG2 4Å; Y30-V57 HydrophobicContact CE2-CB 4.5Å; Y30-V57 HydrophobicContact CE2-CG1 3.85Å; Y30-V57 HydrophobicContact CE2-CG2 4.25Å; Y30-V57 HydrophobicContact CG-CG2 3.89Å; F34-V57 HydrophobicContact CE2-CG2 4.1Å; L52-V57 HydrophobicContact CB-CB 4.22Å; L52-V57 HydrophobicContact CD2-CB 4.37Å; L52-V57 HydrophobicContact CD2-CG2 4.09Å; L52-V57 WeakPolarHBondContact O-CA 3.39Å; L52-V57 WeakPolarHBondContact O-CB 3.48Å; L52-V57 PolarHBondContact O-N 3.47Å; V57-R59 PolarHBondContact O-N 2.88Å; V57-R59 VanDerWaalsContact O-N 3.14Å; V57-H62 HydrophobicContact CG1-CB 3.79Å; V57-Q63 HydrophobicContact CB-CG 4.5Å; V57-Q63 HydrophobicContact CG1-CG 4.04Å; V57-Q63 WeakPolarHBondContact O-CG 3.47Å; V57-Q63 PolarHBondContact O-NE2 3.5Å; V57-I66 HydrophobicContact CG1-CD1 4.14Å; V57-I66 HydrophobicContact CG2-CD1 4.23Å
58S83.4Confident86.3Confident91 Ų9162.7 Ų62.764%0.63633%0.332SS*.  trans-77.412.2-178.459.30000115.5G56G56-S58 PolarHBondContact O-N 2.69Å
59R87.2Confident86.3Confident136 Ų13659.8 Ų59.851%0.51332%0.315SS..  trans-108113.6177-68.7-176-172.2170.86.9109.3V57 G61 H62 Q63V57-R59 PolarHBondContact O-N 2.88Å; V57-R59 VanDerWaalsContact O-N 3.14Å; R59-G61 VanDerWaalsContact C-N 3.35Å; R59-G61 PolarHBondContact O-N 2.91Å; R59-H62 HydrophobicContact CB-CB 3.98Å; R59-H62 PolarHBondContact NH1-CE1 2.86Å; R59-H62 PolarHBondContact NH1-NE2 2.86Å; R59-H62 VanDerWaalsContact NH1-NE2 3.18Å; R59-H62 CarbonylContact O-C 3.59Å; R59-H62 WeakPolarHBondContact O-CA 3.28Å; R59-H62 WeakPolarHBondContact O-CB 3.31Å; R59-H62 PolarHBondContact O-N 2.88Å; R59-Q63 PolarHBondContact O-N 2.96Å
60I86.1Confident86.3Confident114 Ų11455 Ų5559%0.58529%0.293SS*.Hα-helixtrans-46.8-53.4179.5-58.3169.7000112H62 Q63 E64I60-H62 PolarHBondContact O-N 2.84Å; I60-H62 VanDerWaalsContact O-N 3.1Å; I60-Q63 WeakPolarHBondContact O-CA 3.44Å; I60-Q63 WeakPolarHBondContact O-CB 3.35Å; I60-Q63 PolarHBondContact O-N 3.02Å; I60-E64 HydrophobicContact CG2-CG 4.33Å; I60-E64 PolarHBondContact O-N 2.99Å
61G85.5Confident86.1Confident39 Ų3955.2 Ų55.240%0.40230%0.298SS..Hα-helixtrans-68.1-9.6178.800000115.9R59 L65R59-G61 VanDerWaalsContact C-N 3.35Å; R59-G61 PolarHBondContact O-N 2.91Å; G61-L65 WeakPolarHBondContact O-CD1 3.43Å; G61-L65 WeakPolarHBondContact O-CG 3.36Å
62H89.4Confident85.9Confident20 Ų2053.4 Ų53.49%0.09329%0.29CS..Hα-helixtrans-91-34166.4-67.9-159.1000111C26 L27 Y30 V57 R59 I60 I66C26-H62 PolarHBondContact O-CE1 2.83Å; L27-H62 HydrophobicContact CD2-CB 3.79Å; Y30-H62 HydrophobicContact CE2-CB 4.14Å; Y30-H62 AromaticContact CE2-ND1 3.3Å; Y30-H62 VanDerWaalsContact CE2-ND1 3.3Å; Y30-H62 WeakPolarHBondContact CE2-ND1 3.37Å; Y30-H62 AromaticContact CZ-ND1 3.57Å; Y30-H62 PolarHBondContact OH-ND1 3.16Å; V57-H62 HydrophobicContact CG1-CB 3.79Å; R59-H62 HydrophobicContact CB-CB 3.98Å; R59-H62 PolarHBondContact NH1-CE1 2.86Å; R59-H62 PolarHBondContact NH1-NE2 2.86Å; R59-H62 VanDerWaalsContact NH1-NE2 3.18Å; R59-H62 CarbonylContact O-C 3.59Å; R59-H62 WeakPolarHBondContact O-CA 3.28Å; R59-H62 WeakPolarHBondContact O-CB 3.31Å; R59-H62 PolarHBondContact O-N 2.88Å; I60-H62 PolarHBondContact O-N 2.84Å; I60-H62 VanDerWaalsContact O-N 3.1Å; H62-I66 WeakPolarHBondContact O-CG1 3.3Å; H62-I66 PolarHBondContact O-N 3.45Å
63Q87.3Confident85.6Confident5 Ų553.4 Ų53.42%0.02329%0.29CS..Hα-helixtrans-61.8-50.6172-60.9165.6-6.700110.2L52 E53 V57 R59 I60 L65 I66 L67L52-Q63 HydrophobicContact CB-CG 4.22Å; L52-Q63 HydrophobicContact CD1-CB 4.1Å; L52-Q63 HydrophobicContact CD1-CG 4.42Å; E53-Q63 PolarHBondContact OE1-NE2 3.21Å; V57-Q63 HydrophobicContact CB-CG 4.5Å; V57-Q63 HydrophobicContact CG1-CG 4.04Å; V57-Q63 WeakPolarHBondContact O-CG 3.47Å; V57-Q63 PolarHBondContact O-NE2 3.5Å; R59-Q63 PolarHBondContact O-N 2.96Å; I60-Q63 WeakPolarHBondContact O-CA 3.44Å; I60-Q63 WeakPolarHBondContact O-CB 3.35Å; I60-Q63 PolarHBondContact O-N 3.02Å; Q63-L65 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 2.79Å; Q63-I66 PolarHBondContact O-N 3.08Å; Q63-I66 VanDerWaalsContact O-N 3.09Å; Q63-L67 WeakPolarHBondContact O-CB 3.26Å; Q63-L67 WeakPolarHBondContact O-CG 3.34Å; Q63-L67 PolarHBondContact O-N 2.84Å
64E87.1Confident85.3Confident108 Ų10850.3 Ų50.351%0.50528%0.278SS..Hα-helixtrans-57.3-43.8179.3-70.8179.7146.400111.7I60 I66 L67 E68I60-E64 HydrophobicContact CG2-CG 4.33Å; I60-E64 PolarHBondContact O-N 2.99Å; E64-I66 VanDerWaalsContact C-N 3.33Å; E64-I66 PolarHBondContact O-N 3.45Å; E64-L67 PolarHBondContact O-N 3.36Å; E64-E68 WeakPolarHBondContact O-CB 3.42Å; E64-E68 WeakPolarHBondContact O-CG 3.34Å; E64-E68 PolarHBondContact O-N 3.34Å
65L87.5Confident84.7Confident69 Ų6946.5 Ų46.536%0.36126%0.263SS..Hα-helixtrans-63.4-34176.3-74.2173.6000113.7L27 G61 Q63 A69L27-L65 HydrophobicContact CD1-CB 4.21Å; G61-L65 WeakPolarHBondContact O-CD1 3.43Å; G61-L65 WeakPolarHBondContact O-CG 3.36Å; Q63-L65 VanDerWaalsContact C-N 3.34Å; Q63-L65 PolarHBondContact O-N 2.79Å; L65-A69 WeakPolarHBondContact O-CB 3.46Å; L65-A69 PolarHBondContact O-N 2.96Å
66I88.4Confident84.2Confident0 Ų046 Ų460%026%0.261CS..Hα-helixtrans-73.1-44.4173.7-65.8170.4000109.8L27 F34 L52 V57 H62 Q63 E64 A69 V70L27-I66 HydrophobicContact CD1-CG1 3.81Å; L27-I66 HydrophobicContact CD2-CD1 4.16Å; L27-I66 HydrophobicContact CD2-CG1 4.07Å; F34-I66 HydrophobicContact CZ-CD1 4.43Å; L52-I66 HydrophobicContact CD2-CB 4.46Å; L52-I66 HydrophobicContact CD2-CD1 3.94Å; L52-I66 HydrophobicContact CD2-CG2 4.06Å; V57-I66 HydrophobicContact CG1-CD1 4.14Å; V57-I66 HydrophobicContact CG2-CD1 4.23Å; H62-I66 WeakPolarHBondContact O-CG1 3.3Å; H62-I66 PolarHBondContact O-N 3.45Å; Q63-I66 PolarHBondContact O-N 3.08Å; Q63-I66 VanDerWaalsContact O-N 3.09Å; E64-I66 VanDerWaalsContact C-N 3.33Å; E64-I66 PolarHBondContact O-N 3.45Å; I66-A69 PolarHBondContact O-N 3.33Å; I66-V70 HydrophobicContact CG2-CG2 4.18Å; I66-V70 WeakPolarHBondContact O-CB 3.26Å; I66-V70 WeakPolarHBondContact O-CG2 3.4Å; I66-V70 PolarHBondContact O-N 2.8Å
67L86.5Confident83.8Confident28 Ų2845.6 Ų45.615%0.14725%0.249CC..Hα-helixtrans-68.1-40.1-176.8-68.9170.3000112.6I47 H49 L52 Q63 E64 A69 V70 D71I47-L67 HydrophobicContact CG2-CD2 4.01Å; I47-L67 WeakPolarHBondContact O-CD2 3.3Å; H49-L67 VanDerWaalsContact CE1-CD1 3.46Å; H49-L67 WeakPolarHBondContact CE1-CD1 3.36Å; H49-L67 WeakPolarHBondContact NE2-CD1 3.48Å; L52-L67 HydrophobicContact CD1-CD1 3.96Å; L52-L67 HydrophobicContact CD1-CD2 3.81Å; L52-L67 HydrophobicContact CD1-CG 3.66Å; Q63-L67 WeakPolarHBondContact O-CB 3.26Å; Q63-L67 WeakPolarHBondContact O-CG 3.34Å; Q63-L67 PolarHBondContact O-N 2.84Å; E64-L67 PolarHBondContact O-N 3.36Å; L67-A69 VanDerWaalsContact C-N 3.32Å; L67-A69 PolarHBondContact O-N 3.13Å; L67-V70 PolarHBondContact O-N 2.93Å; L67-D71 WeakPolarHBondContact O-CB 3.39Å; L67-D71 PolarHBondContact O-N 3.1Å
68E85.5Confident82.7Confident92 Ų9251.8 Ų51.843%0.4327%0.273SS..Hα-helixtrans-59.5-43171.5-74.2-171.7158.500111.1E64 D71 L72E64-E68 WeakPolarHBondContact O-CB 3.42Å; E64-E68 WeakPolarHBondContact O-CG 3.34Å; E64-E68 PolarHBondContact O-N 3.34Å; E68-D71 PolarHBondContact O-N 3.48Å; E68-L72 WeakPolarHBondContact O-CG 3.34Å; E68-L72 PolarHBondContact O-N 2.79Å; E68-L72 VanDerWaalsContact O-N 3.16Å
69A85.9Confident81.6Confident4 Ų447.6 Ų47.63%0.03324%0.244CC..Hα-helixtrans-69.6-34.7177.900000112.6W19 L23 L65 I66 L67 L72 L73W19-A69 HydrophobicContact CH2-CB 3.94Å; W19-A69 HydrophobicContact CZ2-CB 3.66Å; L23-A69 HydrophobicContact CD1-CB 4.18Å; L23-A69 HydrophobicContact CD2-CB 3.75Å; L65-A69 WeakPolarHBondContact O-CB 3.46Å; L65-A69 PolarHBondContact O-N 2.96Å; I66-A69 PolarHBondContact O-N 3.33Å; L67-A69 VanDerWaalsContact C-N 3.32Å; L67-A69 PolarHBondContact O-N 3.13Å; A69-L72 PolarHBondContact O-N 2.99Å; A69-L73 PolarHBondContact O-N 3.48Å; A69-L73 VanDerWaalsContact O-N 3.11Å
70V86.4Confident80.1Confident7 Ų742.3 Ų42.34%0.04223%0.226CC..Hα-helixtrans-69.2-40.2172.6168.60000111.4W19 L44 I47 I66 L67 L72 L73 C74W19-V70 HydrophobicContact CH2-CG2 3.96Å; L44-V70 HydrophobicContact CD1-CG2 3.7Å; L44-V70 HydrophobicContact CG-CG2 3.91Å; L44-V70 VanDerWaalsContact O-CG1 3.32Å; L44-V70 WeakPolarHBondContact O-CG1 3.44Å; I47-V70 HydrophobicContact CG2-CG1 4.33Å; I47-V70 HydrophobicContact CG2-CG2 4.16Å; I66-V70 HydrophobicContact CG2-CG2 4.18Å; I66-V70 WeakPolarHBondContact O-CB 3.26Å; I66-V70 WeakPolarHBondContact O-CG2 3.4Å; I66-V70 PolarHBondContact O-N 2.8Å; L67-V70 PolarHBondContact O-N 2.93Å; V70-L72 PolarHBondContact O-N 2.93Å; V70-L73 CarbonylContact O-C 3.5Å; V70-L73 WeakPolarHBondContact O-CA 3.13Å; V70-L73 WeakPolarHBondContact O-CB 3.33Å; V70-L73 PolarHBondContact O-N 3Å; V70-C74 PolarHBondContact O-N 2.94Å; V70-C74 PolarHBondContact O-SG 3.46Å
71D82.3Confident78.4Confident116 Ų11644.6 Ų44.662%0.6223%0.234SC*.Hα-helixtrans-58.2-38.6174.1-96.7-7.6000111.1L67 E68 C74 A75L67-D71 WeakPolarHBondContact O-CB 3.39Å; L67-D71 PolarHBondContact O-N 3.1Å; E68-D71 PolarHBondContact O-N 3.48Å; D71-C74 PolarHBondContact O-N 2.69Å; D71-A75 WeakPolarHBondContact O-CB 3.49Å; D71-A75 PolarHBondContact O-N 3.05Å
72L80.6Confident76.8Confident28 Ų2846 Ų4615%0.14724%0.235CC..Hα-helixtrans-68.8-36172.4-64.6-173.2000113.2E68 A69 V70 A75 L76 D242 L244 V277E68-L72 WeakPolarHBondContact O-CG 3.34Å; E68-L72 PolarHBondContact O-N 2.79Å; E68-L72 VanDerWaalsContact O-N 3.16Å; A69-L72 PolarHBondContact O-N 2.99Å; V70-L72 PolarHBondContact O-N 2.93Å; L72-A75 PolarHBondContact O-N 2.53Å; L72-L76 WeakPolarHBondContact O-CB 3.1Å; L72-L76 PolarHBondContact O-N 3.46Å; L72-D242 HydrophobicContact CD1-CB 4.38Å; L72-D242 WeakPolarHBondContact CD1-O 3.49Å; L72-L244 HydrophobicContact CD1-CD2 3.94Å; L72-L244 HydrophobicContact CD1-CG 3.78Å; L72-L244 HydrophobicContact CD2-CD1 4.08Å; L72-L244 HydrophobicContact CD2-CD2 4.03Å; L72-L244 HydrophobicContact CD2-CG 3.95Å; L72-L244 HydrophobicContact CG-CD2 4.48Å; L72-V277 HydrophobicContact CB-CG1 3.52Å; L72-V277 HydrophobicContact CD1-CG1 4.34Å
73L81.9Confident75.4Confident0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-66.6-36.7171.1-72.7-174.9000112.4V8 W11 W19 L44 L45 A69 V70 L76 N77 T275 V277V8-L73 HydrophobicContact CG1-CB 4.41Å; V8-L73 HydrophobicContact CG1-CD1 4.14Å; V8-L73 HydrophobicContact CG2-CD2 4.49Å; W11-L73 HydrophobicContact CH2-CD1 4.17Å; W11-L73 HydrophobicContact CH2-CD2 3.74Å; W11-L73 HydrophobicContact CZ3-CD1 3.93Å; W11-L73 HydrophobicContact CZ3-CD2 4.34Å; W19-L73 HydrophobicContact CD2-CD1 3.97Å; W19-L73 VanDerWaalsContact CE2-CD1 3.49Å; W19-L73 HydrophobicContact CE3-CD1 4.38Å; W19-L73 HydrophobicContact CH2-CD1 3.91Å; W19-L73 HydrophobicContact CZ2-CD1 3.44Å; W19-L73 VanDerWaalsContact CZ2-CD1 3.44Å; W19-L73 HydrophobicContact CZ2-CG 3.87Å; W19-L73 HydrophobicContact CZ3-CD1 4.36Å; L44-L73 HydrophobicContact CD2-CD1 3.83Å; L45-L73 HydrophobicContact CD2-CB 4.28Å; A69-L73 PolarHBondContact O-N 3.48Å; A69-L73 VanDerWaalsContact O-N 3.11Å; V70-L73 CarbonylContact O-C 3.5Å; V70-L73 WeakPolarHBondContact O-CA 3.13Å; V70-L73 WeakPolarHBondContact O-CB 3.33Å; V70-L73 PolarHBondContact O-N 3Å; L73-L76 WeakPolarHBondContact O-CB 3.39Å; L73-L76 PolarHBondContact O-N 2.86Å; L73-N77 VanDerWaalsContact O-CB 3.26Å; L73-N77 WeakPolarHBondContact O-CB 3.38Å; L73-N77 PolarHBondContact O-N 3.21Å; L73-T275 HydrophobicContact CD2-CG2 4.11Å; L73-V277 HydrophobicContact CD2-CB 4.21Å; L73-V277 HydrophobicContact CD2-CG1 4.48Å
74C80.7Confident74.3Confident24 Ų2447.7 Ų47.716%0.16224%0.244CC..Hα-helixtrans-64.3-48.4172.5-74.60000110.9L45 V70 D71 L76 N77 Y78L45-C74 VanDerWaalsContact CD2-SG 3.55Å; V70-C74 PolarHBondContact O-N 2.94Å; V70-C74 PolarHBondContact O-SG 3.46Å; D71-C74 PolarHBondContact O-N 2.69Å; C74-L76 PolarHBondContact O-N 3.2Å; C74-N77 PolarHBondContact O-N 3.04Å; C74-Y78 HydrophobicContact CB-CD2 4.24Å; C74-Y78 HydrophobicContact CB-CE2 4.44Å; C74-Y78 VanDerWaalsContact O-CD2 3.29Å; C74-Y78 WeakPolarHBondContact O-CD2 3.35Å; C74-Y78 PolarHBondContact O-N 3.01Å
75A73.9Confident73.5Confident39 Ų3942.6 Ų42.632%0.32222%0.22SC..Hα-helixtrans-62.6-24.6175.100000113D71 L72 G79D71-A75 WeakPolarHBondContact O-CB 3.49Å; D71-A75 PolarHBondContact O-N 3.05Å; L72-A75 PolarHBondContact O-N 2.53Å; A75-G79 VanDerWaalsContact O-CA 3.26Å; A75-G79 WeakPolarHBondContact O-CA 3.47Å; A75-G79 PolarHBondContact O-N 3.46Å
76L74Confident72.7Confident6 Ų642.7 Ų42.73%0.03122%0.218CC..Hα-helixtrans-75.4-59.1168.9-171.872.3000111.1M5 L72 L73 C74 Y78 G79 L80 I269 T275 V277M5-L76 HydrophobicContact CE-CD2 3.77Å; M5-L76 HydrophobicContact CE-CG 4.03Å; M5-L76 HydrophobicContact SD-CD2 4.07Å; L72-L76 WeakPolarHBondContact O-CB 3.1Å; L72-L76 PolarHBondContact O-N 3.46Å; L73-L76 WeakPolarHBondContact O-CB 3.39Å; L73-L76 PolarHBondContact O-N 2.86Å; C74-L76 PolarHBondContact O-N 3.2Å; L76-Y78 PolarHBondContact O-N 2.97Å; L76-G79 PolarHBondContact O-N 3.35Å; L76-L80 HydrophobicContact CD1-CD1 3.68Å; L76-L80 HydrophobicContact CD1-CD2 4.14Å; L76-L80 HydrophobicContact CD1-CG 3.87Å; L76-L80 HydrophobicContact CG-CD1 3.84Å; L76-L80 HydrophobicContact CG-CG 4.33Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 WeakPolarHBondContact O-CD1 3.23Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.08Å; L76-L80 VanDerWaalsContact O-N 3.13Å; L76-I269 HydrophobicContact CD1-CB 4.5Å; L76-I269 HydrophobicContact CD1-CD1 3.85Å; L76-I269 HydrophobicContact CD1-CG1 4.15Å; L76-I269 HydrophobicContact CD1-CG2 3.55Å; L76-I269 HydrophobicContact CD2-CG2 3.62Å; L76-I269 HydrophobicContact CG-CG2 4.19Å; L76-T275 HydrophobicContact CD2-CG2 4.13Å; L76-V277 HydrophobicContact CD2-CG2 4.1Å
77N72.4Confident72.1Confident31 Ų3145 Ų4517%0.16623%0.232CC..Hα-helixtrans-61.7-39.1-171.4-170.668.3000113.4P7 V8 L45 L73 C74P7-N77 WeakPolarHBondContact CB-OD1 3.31Å; V8-N77 HydrophobicContact CB-CB 4.06Å; V8-N77 HydrophobicContact CG2-CB 3.88Å; V8-N77 PolarHBondContact N-OD1 3.38Å; L45-N77 HydrophobicContact CD2-CB 4.42Å; L73-N77 VanDerWaalsContact O-CB 3.26Å; L73-N77 WeakPolarHBondContact O-CB 3.38Å; L73-N77 PolarHBondContact O-N 3.21Å; C74-N77 PolarHBondContact O-N 3.04Å
78Y64.9Low71.5Confident130 Ų13043.8 Ų43.851%0.5123%0.226SC..THydrogen-bonded Turntrans-98.4-23.2-179.9-57.6-67.7000113.2C74 L76 T82C74-Y78 HydrophobicContact CB-CD2 4.24Å; C74-Y78 HydrophobicContact CB-CE2 4.44Å; C74-Y78 VanDerWaalsContact O-CD2 3.29Å; C74-Y78 WeakPolarHBondContact O-CD2 3.35Å; C74-Y78 PolarHBondContact O-N 3.01Å; L76-Y78 PolarHBondContact O-N 2.97Å; Y78-T82 PolarHBondContact O-OG1 2.69Å
79G59.6Low71.2Confident3 Ų339.4 Ų39.43%0.03121%0.205CC..THydrogen-bonded Turntrans-88.8-23.8-174.800000115.4A75 L76 E81 E83A75-G79 VanDerWaalsContact O-CA 3.26Å; A75-G79 WeakPolarHBondContact O-CA 3.47Å; A75-G79 PolarHBondContact O-N 3.46Å; L76-G79 PolarHBondContact O-N 3.35Å; G79-E81 PolarHBondContact O-N 2.94Å; G79-E83 WeakPolarHBondContact O-CB 3.47Å; G79-E83 PolarHBondContact O-N 3.04Å
80L57Low71Confident25 Ų2543.6 Ų43.613%0.13122%0.224CC..THydrogen-bonded Turntrans-60.2-44.6-175.1-84.7170.5000114.3M5 L76 L219 K300M5-L80 HydrophobicContact CE-CD1 3.57Å; L76-L80 HydrophobicContact CD1-CD1 3.68Å; L76-L80 HydrophobicContact CD1-CD2 4.14Å; L76-L80 HydrophobicContact CD1-CG 3.87Å; L76-L80 HydrophobicContact CG-CD1 3.84Å; L76-L80 HydrophobicContact CG-CG 4.33Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 WeakPolarHBondContact O-CD1 3.23Å; L76-L80 WeakPolarHBondContact O-CG 3.49Å; L76-L80 PolarHBondContact O-N 3.08Å; L76-L80 VanDerWaalsContact O-N 3.13Å; L80-L219 HydrophobicContact CD1-CD1 4.06Å; L80-L219 HydrophobicContact CD2-CD1 4.36Å; L80-L219 HydrophobicContact CD2-CD2 3.62Å; L80-L219 HydrophobicContact CD2-CG 3.95Å; L80-K300 HydrophobicContact CD2-CD 3.93Å; L80-K300 HydrophobicContact CD2-CG 4.31Å
81E49.5Very low70.9Confident163 Ų16348.2 Ų48.276%0.76224%0.243SC*.THydrogen-bonded Turntrans-95.7-16.5-175.8-61.3-169.6153.200113.6G79G79-E81 PolarHBondContact O-N 2.94Å
82T51.7Low71Confident67 Ų6742.7 Ų42.741%0.41121%0.214SC..THydrogen-bonded Turntrans-115.1-10.6-166.579.20000115.9Y78 T87Y78-T82 PolarHBondContact O-OG1 2.69Å; T82-T87 PolarHBondContact O-OG1 3.33Å
83E59.9Low71.3Confident22 Ų2241.6 Ų41.610%0.10321%0.209CC..  trans-99.286.6-176.7-67.1-173.9164.300113.6G79 L88 W141 R144G79-E83 WeakPolarHBondContact O-CB 3.47Å; G79-E83 PolarHBondContact O-N 3.04Å; E83-L88 HydrophobicContact CB-CD1 4.11Å; E83-L88 HydrophobicContact CB-CG 4.32Å; E83-L88 HydrophobicContact CG-CD1 4.26Å; E83-L88 HydrophobicContact CG-CD2 3.98Å; E83-L88 HydrophobicContact CG-CG 4.21Å; E83-W141 PolarHBondContact O-NE1 3.02Å; E83-R144 IonicContact OE2-NH1 2.82Å
84N64.9Low71.5Confident39 Ų3943.9 Ų43.921%0.20923%0.227CC..  trans-99162.1152.163.355.1000109.4K86 T87 L88N84-K86 PolarHBondContact O-N 2.81Å; N84-K86 VanDerWaalsContact O-N 3.14Å; N84-K86 WeakPolarHBondContact OD1-CB 3.21Å; N84-K86 PolarHBondContact OD1-N 3.09Å; N84-T87 PolarHBondContact N-OG1 2.64Å; N84-T87 PolarHBondContact O-N 2.75Å; N84-T87 PolarHBondContact O-OG1 2.71Å; N84-T87 PolarHBondContact OD1-N 2.9Å; N84-T87 PolarHBondContact OD1-OG1 3.28Å; N84-L88 PolarHBondContact O-N 2.77Å; N84-L88 VanDerWaalsContact O-N 3.1Å
85L69.4Low71.8Confident1 Ų143.7 Ų43.71%0.00523%0.226CC..Hα-helixtrans-60.4-29.4-175.2-177.261000112S89 L138 W141 L142 Y159 I204 V213L85-S89 VanDerWaalsContact O-CB 3.3Å; L85-S89 WeakPolarHBondContact O-CB 3.33Å; L85-S89 PolarHBondContact O-N 3.18Å; L85-S89 PolarHBondContact O-OG 3.03Å; L85-L138 HydrophobicContact CD1-CD1 3.5Å; L85-L138 VanDerWaalsContact CD1-CD1 3.5Å; L85-W141 HydrophobicContact CB-CD2 4.47Å; L85-W141 HydrophobicContact CB-CE3 4.14Å; L85-W141 HydrophobicContact CB-CH2 3.88Å; L85-W141 HydrophobicContact CB-CZ2 4.21Å; L85-W141 HydrophobicContact CB-CZ3 3.85Å; L85-W141 HydrophobicContact CD1-CE3 3.96Å; L85-W141 HydrophobicContact CD1-CZ3 4.27Å; L85-W141 HydrophobicContact CD2-CZ3 4.12Å; L85-W141 HydrophobicContact CG-CE3 4.46Å; L85-W141 HydrophobicContact CG-CZ3 4.31Å; L85-L142 HydrophobicContact CD1-CD2 4.1Å; L85-L142 HydrophobicContact CD1-CG 4.48Å; L85-Y159 HydrophobicContact CD2-CE1 4.14Å; L85-I204 HydrophobicContact CD1-CG2 4.34Å; L85-I204 HydrophobicContact CD2-CG2 3.9Å; L85-I204 HydrophobicContact CG-CG2 3.82Å; L85-V213 HydrophobicContact CB-CG1 4.14Å; L85-V213 HydrophobicContact CD2-CG1 4.14Å; L85-V213 HydrophobicContact CD2-CG2 4.32Å; L85-V213 HydrophobicContact CG-CG1 4.33Å
86K71.1Confident72.5Confident72 Ų7241.9 Ų41.931%0.31321%0.211SC..Hα-helixtrans-72.2-44.3177.4-172165.4-174.1156.30112.9N84 S89 H90 S208N84-K86 PolarHBondContact O-N 2.81Å; N84-K86 VanDerWaalsContact O-N 3.14Å; N84-K86 WeakPolarHBondContact OD1-CB 3.21Å; N84-K86 PolarHBondContact OD1-N 3.09Å; K86-S89 PolarHBondContact O-N 3.29Å; K86-H90 WeakPolarHBondContact O-CB 3.43Å; K86-H90 PolarHBondContact O-CD2 3.23Å; K86-H90 PolarHBondContact O-N 3.25Å; K86-S208 PolarHBondContact NZ-OG 3.05Å; K86-S208 VanDerWaalsContact NZ-OG 3.15Å
87T76.2Confident73.1Confident49 Ų4945.3 Ų45.330%0.30123%0.226SC..Hα-helixtrans-67.5-36.9175.653.30000111.9T82 N84 H90 K91T82-T87 PolarHBondContact O-OG1 3.33Å; N84-T87 PolarHBondContact N-OG1 2.64Å; N84-T87 PolarHBondContact O-N 2.75Å; N84-T87 PolarHBondContact O-OG1 2.71Å; N84-T87 PolarHBondContact OD1-N 2.9Å; N84-T87 PolarHBondContact OD1-OG1 3.28Å; T87-H90 PolarHBondContact O-N 2.99Å; T87-K91 WeakPolarHBondContact O-CB 3.38Å; T87-K91 VanDerWaalsContact O-CG 3.32Å; T87-K91 WeakPolarHBondContact O-CG 3.38Å; T87-K91 PolarHBondContact O-N 2.73Å
88L74.7Confident73.8Confident2 Ų248.9 Ų48.91%0.0125%0.245CC..Hα-helixtrans-64.6-45172.3-73173.9000112E83 N84 H90 K91 L92 L138 W141E83-L88 HydrophobicContact CB-CD1 4.11Å; E83-L88 HydrophobicContact CB-CG 4.32Å; E83-L88 HydrophobicContact CG-CD1 4.26Å; E83-L88 HydrophobicContact CG-CD2 3.98Å; E83-L88 HydrophobicContact CG-CG 4.21Å; N84-L88 PolarHBondContact O-N 2.77Å; N84-L88 VanDerWaalsContact O-N 3.1Å; L88-H90 PolarHBondContact O-N 3.19Å; L88-K91 PolarHBondContact O-N 2.83Å; L88-L92 WeakPolarHBondContact O-CB 3.35Å; L88-L92 PolarHBondContact O-N 2.76Å; L88-L138 HydrophobicContact CB-CD1 3.77Å; L88-W141 HydrophobicContact CD1-CB 3.62Å; L88-W141 VanDerWaalsContact CD1-CD1 3.42Å; L88-W141 HydrophobicContact CD1-CG 3.65Å
89S79Confident74.9Confident0 Ų042.8 Ų42.80%022%0.221CC..Hα-helixtrans-64.4-38.1176.1-57.70000112.2L85 K86 L92 S93 I204L85-S89 VanDerWaalsContact O-CB 3.3Å; L85-S89 WeakPolarHBondContact O-CB 3.33Å; L85-S89 PolarHBondContact O-N 3.18Å; L85-S89 PolarHBondContact O-OG 3.03Å; K86-S89 PolarHBondContact O-N 3.29Å; S89-L92 PolarHBondContact O-N 2.93Å; S89-S93 WeakPolarHBondContact O-CB 3.36Å; S89-S93 PolarHBondContact O-N 3.11Å; S89-I204 WeakPolarHBondContact OG-CG2 3.23Å
90H81.1Confident76.2Confident92 Ų9244.6 Ų44.643%0.42623%0.229SC..Hα-helixtrans-67.4-42.1173.3-76.2-57.3000112.6K86 T87 L88 L92 S93 A94 I205K86-H90 WeakPolarHBondContact O-CB 3.43Å; K86-H90 PolarHBondContact O-CD2 3.23Å; K86-H90 PolarHBondContact O-N 3.25Å; T87-H90 PolarHBondContact O-N 2.99Å; L88-H90 PolarHBondContact O-N 3.19Å; H90-L92 VanDerWaalsContact C-N 3.31Å; H90-L92 PolarHBondContact O-N 2.81Å; H90-S93 PolarHBondContact O-N 2.78Å; H90-A94 WeakPolarHBondContact O-CB 3.37Å; H90-A94 PolarHBondContact O-N 3.49Å; H90-I205 WeakPolarHBondContact ND1-CD1 3.45Å
91K83.6Confident77.6Confident104 Ų10448.4 Ų48.445%0.45225%0.249SC..Hα-helixtrans-57.9-44.1173.3-77.9173.6-179.8177.50110.9T87 L88 A94 S95T87-K91 WeakPolarHBondContact O-CB 3.38Å; T87-K91 VanDerWaalsContact O-CG 3.32Å; T87-K91 WeakPolarHBondContact O-CG 3.38Å; T87-K91 PolarHBondContact O-N 2.73Å; L88-K91 PolarHBondContact O-N 2.83Å; K91-A94 PolarHBondContact O-N 2.7Å; K91-S95 WeakPolarHBondContact O-CB 3.48Å; K91-S95 PolarHBondContact O-N 2.78Å
92L85.4Confident79.2Confident0 Ų043.7 Ų43.70%023%0.226CC..Hα-helixtrans-69-46.5179.8-173.453.7000112.6L88 S89 H90 A94 S95 A96 L131 A134 A135 L138 L197 C201L88-L92 WeakPolarHBondContact O-CB 3.35Å; L88-L92 PolarHBondContact O-N 2.76Å; S89-L92 PolarHBondContact O-N 2.93Å; H90-L92 VanDerWaalsContact C-N 3.31Å; H90-L92 PolarHBondContact O-N 2.81Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 3.33Å; L92-S95 PolarHBondContact O-N 3.37Å; L92-A96 WeakPolarHBondContact O-CB 3.48Å; L92-A96 PolarHBondContact O-N 3Å; L92-L131 HydrophobicContact CD1-CD1 3.62Å; L92-A134 HydrophobicContact CB-CB 4.47Å; L92-A134 HydrophobicContact CD1-CB 3.9Å; L92-A135 HydrophobicContact CD1-CB 3.84Å; L92-A135 HydrophobicContact CD2-CB 4.14Å; L92-L138 HydrophobicContact CD2-CB 4.24Å; L92-L138 HydrophobicContact CD2-CD2 3.41Å; L92-L138 VanDerWaalsContact CD2-CD2 3.41Å; L92-L138 HydrophobicContact CD2-CG 4.45Å; L92-L197 HydrophobicContact CD1-CD2 4.06Å; L92-L197 HydrophobicContact CD1-CG 4.49Å; L92-L197 HydrophobicContact CD2-CD1 4.09Å; L92-L197 HydrophobicContact CD2-CG 4.36Å; L92-L197 HydrophobicContact CG-CD2 4.42Å; L92-L197 HydrophobicContact CG-CG 4.32Å; L92-C201 VanDerWaalsContact CG-SG 3.54Å
93S86.4Confident80.7Confident5 Ų540.5 Ų40.54%0.03521%0.207CC..Hα-helixtrans-59-40.6174.5-167.80000111.4S89 H90 K97 D202S89-S93 WeakPolarHBondContact O-CB 3.36Å; S89-S93 PolarHBondContact O-N 3.11Å; H90-S93 PolarHBondContact O-N 2.78Å; S93-K97 WeakPolarHBondContact O-CB 3.43Å; S93-K97 WeakPolarHBondContact O-CD 3.26Å; S93-K97 WeakPolarHBondContact O-CG 3.43Å; S93-K97 PolarHBondContact O-N 2.77Å; S93-K97 PolarHBondContact OG-NZ 3.16Å; S93-D202 PolarHBondContact OG-OD1 3.44Å
94A86.4Confident81.8Confident47 Ų4742 Ų4239%0.38822%0.217SC..Hα-helixtrans-67.2-45.7175.800000112.8H90 K91 L92 A96 K97 N98H90-A94 WeakPolarHBondContact O-CB 3.37Å; H90-A94 PolarHBondContact O-N 3.49Å; K91-A94 PolarHBondContact O-N 2.7Å; L92-A94 VanDerWaalsContact C-N 3.31Å; L92-A94 PolarHBondContact O-N 3.33Å; A94-A96 PolarHBondContact O-N 3.47Å; A94-K97 PolarHBondContact O-N 2.73Å; A94-N98 WeakPolarHBondContact O-CB 3.48Å; A94-N98 VanDerWaalsContact O-CG 3.27Å; A94-N98 PolarHBondContact O-N 3.39Å
95S86.6Confident82.5Confident21 Ų2142 Ų4215%0.14723%0.227CC..Hα-helixtrans-61.3-44176.3-174.30000111.5K91 L92 K97 N98 L99 L131K91-S95 WeakPolarHBondContact O-CB 3.48Å; K91-S95 PolarHBondContact O-N 2.78Å; L92-S95 PolarHBondContact O-N 3.37Å; S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 3.36Å; S95-N98 PolarHBondContact O-N 3.17Å; S95-L99 PolarHBondContact O-N 2.77Å; S95-L131 WeakPolarHBondContact OG-CA 3.38Å; S95-L131 PolarHBondContact OG-N 3.3Å
96A87.9Confident82.8Confident0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-61.9-38.6176.100000112.2L92 A94 Q100 L131 C194 S198L92-A96 WeakPolarHBondContact O-CB 3.48Å; L92-A96 PolarHBondContact O-N 3Å; A94-A96 PolarHBondContact O-N 3.47Å; A96-Q100 VanDerWaalsContact C-NE2 3.33Å; A96-Q100 VanDerWaalsContact O-CG 3.32Å; A96-Q100 WeakPolarHBondContact O-CG 3.4Å; A96-Q100 PolarHBondContact O-N 2.75Å; A96-Q100 VanDerWaalsContact O-N 3.13Å; A96-Q100 PolarHBondContact O-NE2 2.8Å; A96-L131 HydrophobicContact CB-CD1 3.92Å; A96-C194 HydrophobicContact CB-CB 4.37Å; A96-S198 WeakPolarHBondContact CB-OG 2.87Å
97K87.4Confident83Confident79 Ų7943.8 Ų43.834%0.34323%0.232SC..Hα-helixtrans-72.7-34.5177-73.6163.3-176.3161.60111.9S93 A94 S95 Q100 N101 D202S93-K97 WeakPolarHBondContact O-CB 3.43Å; S93-K97 WeakPolarHBondContact O-CD 3.26Å; S93-K97 WeakPolarHBondContact O-CG 3.43Å; S93-K97 PolarHBondContact O-N 2.77Å; S93-K97 PolarHBondContact OG-NZ 3.16Å; A94-K97 PolarHBondContact O-N 2.73Å; S95-K97 VanDerWaalsContact C-N 3.32Å; S95-K97 PolarHBondContact O-N 3.36Å; K97-Q100 PolarHBondContact O-N 3Å; K97-N101 WeakPolarHBondContact O-CB 3.44Å; K97-N101 PolarHBondContact O-N 3.42Å; K97-N101 PolarHBondContact O-ND2 2.89Å; K97-D202 IonicContact NZ-OD1 2.82Å; K97-D202 PolarHBondContact NZ-OD1 2.77Å; K97-D202 IonicContact NZ-OD2 2.9Å; K97-D202 PolarHBondContact NZ-OD2 3.41Å
98N87.3Confident82.9Confident106 Ų10651.8 Ų51.857%0.56726%0.257SS*.Hα-helixtrans-63.6-45.3172.2-73-12.9000112A94 S95 Q100 N101 F102A94-N98 WeakPolarHBondContact O-CB 3.48Å; A94-N98 VanDerWaalsContact O-CG 3.27Å; A94-N98 PolarHBondContact O-N 3.39Å; S95-N98 PolarHBondContact O-N 3.17Å; N98-Q100 PolarHBondContact O-N 2.77Å; N98-N101 PolarHBondContact O-N 2.87Å; N98-F102 WeakPolarHBondContact O-CB 3.5Å; N98-F102 PolarHBondContact O-N 3.24Å
99L87.1Confident82.6Confident1 Ų154.8 Ų54.81%0.00528%0.277CS..Hα-helixtrans-64.4-38.6176.5-176.552.7000112.1S95 F102 I103 F124 V128 L131 I190S95-L99 PolarHBondContact O-N 2.77Å; L99-F102 PolarHBondContact O-N 2.7Å; L99-I103 HydrophobicContact CD1-CD1 4.29Å; L99-I103 HydrophobicContact CD1-CG1 4.42Å; L99-I103 HydrophobicContact CG-CD1 4.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.36Å; L99-F124 HydrophobicContact CD1-CD2 3.81Å; L99-F124 HydrophobicContact CD1-CE2 3.6Å; L99-F124 HydrophobicContact CD1-CZ 4.37Å; L99-V128 HydrophobicContact CD1-CG2 4.41Å; L99-V128 HydrophobicContact CD2-CG2 3.69Å; L99-L131 HydrophobicContact CD2-CD2 3.77Å; L99-I190 HydrophobicContact CD2-CG2 3.85Å; L99-I190 HydrophobicContact CG-CG2 4.3Å
100Q87.4Confident81.4Confident41 Ų4158.7 Ų58.719%0.19232%0.318CS..Hα-helixtrans-61.4-44.1171.2-74.9166.284.200112.4A96 K97 N98 F102 T104 L191 C194 S198A96-Q100 VanDerWaalsContact C-NE2 3.33Å; A96-Q100 VanDerWaalsContact O-CG 3.32Å; A96-Q100 WeakPolarHBondContact O-CG 3.4Å; A96-Q100 PolarHBondContact O-N 2.75Å; A96-Q100 VanDerWaalsContact O-N 3.13Å; A96-Q100 PolarHBondContact O-NE2 2.8Å; K97-Q100 PolarHBondContact O-N 3Å; N98-Q100 PolarHBondContact O-N 2.77Å; Q100-F102 VanDerWaalsContact C-N 3.34Å; Q100-F102 PolarHBondContact O-N 2.72Å; Q100-T104 WeakPolarHBondContact O-CB 3.33Å; Q100-T104 WeakPolarHBondContact O-CG2 3.34Å; Q100-T104 PolarHBondContact O-N 2.76Å; Q100-T104 PolarHBondContact O-OG1 2.85Å; Q100-L191 HydrophobicContact CB-CD2 4.13Å; Q100-L191 HydrophobicContact CG-CD2 3.84Å; Q100-C194 HydrophobicContact CG-CB 3.74Å; Q100-S198 PolarHBondContact NE2-OG 3.06Å
101N86.4Confident80.3Confident105 Ų10562.9 Ų62.956%0.56134%0.337SS*.Hα-helixtrans-63.8-37.9176.4-72.3-23.9000112K97 N98 T104 G105K97-N101 WeakPolarHBondContact O-CB 3.44Å; K97-N101 PolarHBondContact O-N 3.42Å; K97-N101 PolarHBondContact O-ND2 2.89Å; N98-N101 PolarHBondContact O-N 2.87Å; N101-T104 WeakPolarHBondContact CA-OG1 3.35Å; N101-T104 PolarHBondContact O-OG1 2.97Å; N101-G105 WeakPolarHBondContact O-CA 3.25Å; N101-G105 PolarHBondContact O-N 3.32Å
102F83.6Confident79.4Confident65 Ų6561.1 Ų61.129%0.28533%0.328SS..Hα-helixtrans-66.9-47.4177.7-173.8-124.1000111.9N98 L99 Q100 G105 R106 D123 F124N98-F102 WeakPolarHBondContact O-CB 3.5Å; N98-F102 PolarHBondContact O-N 3.24Å; L99-F102 PolarHBondContact O-N 2.7Å; Q100-F102 VanDerWaalsContact C-N 3.34Å; Q100-F102 PolarHBondContact O-N 2.72Å; F102-G105 PolarHBondContact O-N 3.35Å; F102-R106 WeakPolarHBondContact O-CG 3.24Å; F102-R106 PolarHBondContact O-N 2.82Å; F102-D123 HydrophobicContact CE1-CB 4.35Å; F102-D123 HydrophobicContact CZ-CB 3.86Å; F102-F124 HydrophobicContact CD1-CD2 4.04Å; F102-F124 HydrophobicContact CE1-CB 3.95Å; F102-F124 HydrophobicContact CE1-CD2 4.11Å
103I83Confident78.2Confident0 Ų065.3 Ų65.30%035%0.35CS..Hα-helixtrans-60.9-49.8175.5-66.1166.2000111.2L99 G105 R106 R107 F124 E187 I190 L191L99-I103 HydrophobicContact CD1-CD1 4.29Å; L99-I103 HydrophobicContact CD1-CG1 4.42Å; L99-I103 HydrophobicContact CG-CD1 4.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.36Å; I103-G105 VanDerWaalsContact C-N 3.32Å; I103-G105 PolarHBondContact O-N 2.92Å; I103-R106 PolarHBondContact O-N 3.33Å; I103-R107 WeakPolarHBondContact O-CG 3.26Å; I103-R107 PolarHBondContact O-N 3.21Å; I103-F124 HydrophobicContact CD1-CE2 3.83Å; I103-F124 HydrophobicContact CD1-CZ 4.35Å; I103-F124 HydrophobicContact CG1-CD2 4.44Å; I103-F124 HydrophobicContact CG1-CE2 3.64Å; I103-E187 HydrophobicContact CG1-CG 4.21Å; I103-E187 HydrophobicContact CG2-CB 3.91Å; I103-E187 HydrophobicContact CG2-CG 4Å; I103-I190 HydrophobicContact CD1-CG2 3.98Å; I103-L191 HydrophobicContact CB-CD2 4.04Å; I103-L191 HydrophobicContact CB-CG 4.34Å; I103-L191 HydrophobicContact CD1-CD2 3.89Å; I103-L191 HydrophobicContact CD1-CG 3.9Å; I103-L191 HydrophobicContact CG2-CD1 3.71Å; I103-L191 HydrophobicContact CG2-CD2 3.99Å; I103-L191 HydrophobicContact CG2-CG 3.82Å
104T82.9Confident77Confident52 Ų5265.4 Ų65.432%0.31935%0.352SS..Hα-helixtrans-69.2-30.3-178.654.50000112.6Q100 N101 R108Q100-T104 WeakPolarHBondContact O-CB 3.33Å; Q100-T104 WeakPolarHBondContact O-CG2 3.34Å; Q100-T104 PolarHBondContact O-N 2.76Å; Q100-T104 PolarHBondContact O-OG1 2.85Å; N101-T104 WeakPolarHBondContact CA-OG1 3.35Å; N101-T104 PolarHBondContact O-OG1 2.97Å; T104-R108 VanDerWaalsContact O-CG 3.26Å; T104-R108 WeakPolarHBondContact O-CG 3.42Å; T104-R108 PolarHBondContact O-N 2.88Å; T104-R108 VanDerWaalsContact O-N 3.17Å
105G79.6Confident75.7Confident41 Ų4174 Ų7442%0.42338%0.375SS..Hα-helixtrans-63-49.4169.500000112.3N101 F102 I103 R107 R108 S109N101-G105 WeakPolarHBondContact O-CA 3.25Å; N101-G105 PolarHBondContact O-N 3.32Å; F102-G105 PolarHBondContact O-N 3.35Å; I103-G105 VanDerWaalsContact C-N 3.32Å; I103-G105 PolarHBondContact O-N 2.92Å; G105-R107 VanDerWaalsContact C-N 3.35Å; G105-R107 PolarHBondContact O-N 3.46Å; G105-R108 PolarHBondContact O-N 3.42Å; G105-R108 VanDerWaalsContact O-N 3.1Å; G105-S109 PolarHBondContact O-N 2.87Å
106R76.1Confident74.2Confident45 Ų4576 Ų7617%0.1739%0.393CS..Hα-helixtrans-59.1-43.8175.7-70.7-161.1-58.8-142.55.8112.4F102 I103 R108 S109 Y112 E187F102-R106 WeakPolarHBondContact O-CG 3.24Å; F102-R106 PolarHBondContact O-N 2.82Å; I103-R106 PolarHBondContact O-N 3.33Å; R106-R108 PolarHBondContact O-N 3.42Å; R106-S109 VanDerWaalsContact O-CB 3.27Å; R106-S109 WeakPolarHBondContact O-CB 3.42Å; R106-S109 PolarHBondContact O-N 3Å; R106-Y112 HydrophobicContact CB-CD2 4.29Å; R106-E187 IonicContact CZ-OE1 3.35Å; R106-E187 IonicContact NE-OE1 3.16Å; R106-E187 PolarHBondContact NE-OE1 3.23Å; R106-E187 VanDerWaalsContact NE-OE1 3.16Å; R106-E187 IonicContact NH2-OE1 2.7Å; R106-E187 PolarHBondContact NH2-OE1 3.25Å
107R75.9Confident72.7Confident65 Ų6579.2 Ų79.225%0.24541%0.412CS..Hα-helixtrans-67.5-15.5177.4-69.6170.5175.7-146.1-11114.6I103 G105 Y112 Y184 E187 N188I103-R107 WeakPolarHBondContact O-CG 3.26Å; I103-R107 PolarHBondContact O-N 3.21Å; G105-R107 VanDerWaalsContact C-N 3.35Å; G105-R107 PolarHBondContact O-N 3.46Å; R107-Y112 HydrophobicContact CG-CD2 4.16Å; R107-Y112 HydrophobicContact CG-CE1 4.34Å; R107-Y112 HydrophobicContact CG-CE2 3.71Å; R107-Y184 PolarHBondContact NH2-O 2.93Å; R107-E187 IonicContact CZ-OE2 3.45Å; R107-E187 IonicContact NE-OE2 2.81Å; R107-E187 PolarHBondContact NE-OE2 2.95Å; R107-E187 IonicContact NH2-OE2 3.07Å; R107-E187 PolarHBondContact NH2-OE2 2.96Å; R107-N188 VanDerWaalsContact CZ-OD1 3.3Å; R107-N188 PolarHBondContact NH1-OD1 3.04Å; R107-N188 PolarHBondContact NH2-OD1 3.08Å
108R73.4Confident71.3Confident217 Ų21783.7 Ų83.782%0.81943%0.434SS*.Hα-helixtrans-92.7-8.1171.4-73.1171.2178.5-175.60.8113T104 G105 R106T104-R108 VanDerWaalsContact O-CG 3.26Å; T104-R108 WeakPolarHBondContact O-CG 3.42Å; T104-R108 PolarHBondContact O-N 2.88Å; T104-R108 VanDerWaalsContact O-N 3.17Å; G105-R108 PolarHBondContact O-N 3.42Å; G105-R108 VanDerWaalsContact O-N 3.1Å; R106-R108 PolarHBondContact O-N 3.42Å
109S68.8Low70.1Confident64 Ų6487.3 Ų87.345%0.44845%0.445SS..SBendtrans-76.5130.4171.8-174.20000110.2G105 R106 H111 Y112G105-S109 PolarHBondContact O-N 2.87Å; R106-S109 VanDerWaalsContact O-CB 3.27Å; R106-S109 WeakPolarHBondContact O-CB 3.42Å; R106-S109 PolarHBondContact O-N 3Å; S109-H111 PolarHBondContact O-N 2.89Å; S109-Y112 PolarHBondContact O-N 2.87Å
110G52.8Low69.3Low82 Ų8288.6 Ų88.685%0.84545%0.451SS*.THydrogen-bonded Turntrans-65.1-2.6-179.200000115.6
111H59.2Low68.7Low180 Ų18089.3 Ų89.383%0.83346%0.46SS*.THydrogen-bonded Turntrans-112.124.9177.9-66.283000112.6S109 D113S109-H111 PolarHBondContact O-N 2.89Å; H111-D113 PolarHBondContact O-N 3.01Å
112Y64.6Low68.4Low67 Ų6790.2 Ų90.226%0.26346%0.464SS..  trans-73.693.6179.1-178.5-94.3000112.2R106 R107 S109 G114 Y184 E187R106-Y112 HydrophobicContact CB-CD2 4.29Å; R107-Y112 HydrophobicContact CG-CD2 4.16Å; R107-Y112 HydrophobicContact CG-CE1 4.34Å; R107-Y112 HydrophobicContact CG-CE2 3.71Å; S109-Y112 PolarHBondContact O-N 2.87Å; Y112-G114 PolarHBondContact O-N 3.48Å; Y112-Y184 HydrophobicContact CE1-CD2 4.01Å; Y112-E187 WeakPolarHBondContact CE2-OE2 3.13Å; Y112-E187 PolarHBondContact OH-OE2 2.88Å
113D60.3Low68.1Low88 Ų8892.2 Ų92.247%0.47148%0.478SS..  trans-92.779166.1-165.2-17.5000111.6H111 R115 A116 T117H111-D113 PolarHBondContact O-N 3.01Å; D113-R115 PolarHBondContact O-N 3Å; D113-R115 PolarHBondContact OD1-N 2.94Å; D113-A116 PolarHBondContact OD1-N 3.39Å; D113-A116 WeakPolarHBondContact OD2-CB 3.14Å; D113-T117 PolarHBondContact O-OG1 3.08Å
114G60.3Low68.1Low7 Ų792.2 Ų92.27%0.07248%0.478CS..THydrogen-bonded Turntrans-75.68.1172.300000115.1Y112 Y184Y112-G114 PolarHBondContact O-N 3.48Å; G114-Y184 PolarHBondContact O-N 2.79Å
115R58.7Low68.1Low228 Ų22892.6 Ų92.686%0.8648%0.478SS*.THydrogen-bonded Turntrans-109.5-39.4177.1-71.3-172-177-94.84.8113.3D113D113-R115 PolarHBondContact O-N 3Å; D113-R115 PolarHBondContact OD1-N 2.94Å
116A55.7Low68.3Low64 Ų6494.4 Ų94.453%0.52948%0.481SS..THydrogen-bonded Turntrans-86.7-20.3-178.100000114.1D113 H118D113-A116 PolarHBondContact OD1-N 3.39Å; D113-A116 WeakPolarHBondContact OD2-CB 3.14Å; A116-H118 PolarHBondContact O-N 2.93Å
117T56.6Low68.7Low66 Ų6693.8 Ų93.841%0.40548%0.484SS..  trans-80.2100.1-177.246.50000111.8D113 K119 V183D113-T117 PolarHBondContact O-OG1 3.08Å; T117-K119 VanDerWaalsContact C-N 3.27Å; T117-K119 PolarHBondContact O-N 3.17Å; T117-V183 WeakPolarHBondContact O-CG2 3.45Å
118H58.2Low69.2Low174 Ų17491 Ų9181%0.80647%0.473SS*.  trans-83.27171.4-82.1-85.7000114.2A116A116-H118 PolarHBondContact O-N 2.93Å
119K62.2Low69.8Low181 Ų18185 Ų8579%0.78746%0.461SS*.SBendtrans-133.1126.3178.9-66.2-173.2178.1-176.60110.2T117T117-K119 VanDerWaalsContact C-N 3.27Å; T117-K119 PolarHBondContact O-N 3.17Å
120L69.4Low70.6Confident28 Ų2886.1 Ų86.115%0.14746%0.462CS..  trans-68.1134.4173-69.2165.4000109.6F124 L125 V177 V183L120-F124 HydrophobicContact CB-CD1 4.07Å; L120-F124 HydrophobicContact CD1-CD1 3.99Å; L120-F124 HydrophobicContact CD1-CE1 3.95Å; L120-F124 HydrophobicContact CD2-CD1 3.76Å; L120-F124 HydrophobicContact CD2-CE1 3.75Å; L120-F124 HydrophobicContact CD2-CG 4.49Å; L120-F124 HydrophobicContact CD2-CZ 4.47Å; L120-F124 HydrophobicContact CG-CD1 4.16Å; L120-F124 HydrophobicContact CG-CE1 4.36Å; L120-L125 HydrophobicContact CB-CD2 4.04Å; L120-L125 HydrophobicContact CB-CG 4.31Å; L120-L125 HydrophobicContact CD1-CD2 3.98Å; L120-V177 HydrophobicContact CD1-CG1 4.26Å; L120-V183 HydrophobicContact CD2-CG1 4.34Å; L120-V183 HydrophobicContact CD2-CG2 3.91Å; L120-V183 HydrophobicContact CG-CG2 4.45Å
121P75.4Confident72.2Confident56 Ų5682.3 Ų82.336%0.36442%0.422SS..  trans-60.2144.3176.3-26.736000112.5D123 F124 L125P121-D123 VanDerWaalsContact C-N 3.3Å; P121-D123 PolarHBondContact O-N 2.9Å; P121-F124 WeakPolarHBondContact O-CA 3.24Å; P121-F124 WeakPolarHBondContact O-CB 3.43Å; P121-F124 PolarHBondContact O-N 2.75Å; P121-L125 PolarHBondContact O-N 2.82Å
122N78.8Confident73.4Confident124 Ų12475.2 Ų75.266%0.66339%0.39SS*.Hα-helixtrans-54.8-42.7-174.2-67.3-11.1000113F124 L125 T126N122-F124 PolarHBondContact O-N 2.82Å; N122-F124 VanDerWaalsContact O-N 3.11Å; N122-L125 WeakPolarHBondContact O-CA 3.44Å; N122-L125 WeakPolarHBondContact O-CB 3.17Å; N122-L125 PolarHBondContact O-N 3.19Å; N122-T126 PolarHBondContact O-N 3.14Å; N122-T126 PolarHBondContact O-OG1 3.5Å
123D78.6Confident74.2Confident107 Ų10774.2 Ų74.257%0.57240%0.396SS*.Hα-helixtrans-60-26179-37.8-48000112.9F102 P121 S127F102-D123 HydrophobicContact CE1-CB 4.35Å; F102-D123 HydrophobicContact CZ-CB 3.86Å; P121-D123 VanDerWaalsContact C-N 3.3Å; P121-D123 PolarHBondContact O-N 2.9Å; D123-S127 WeakPolarHBondContact O-CB 3.33Å; D123-S127 PolarHBondContact O-N 3.2Å; D123-S127 PolarHBondContact O-OG 3.45Å
124F81.9Confident75.2Confident0 Ų070.9 Ų70.90%038%0.38CS..Hα-helixtrans-69.9-44.7172.5-171.7-102.7000111.7L99 F102 I103 L120 P121 N122 S127 V128 E187 I190L99-F124 HydrophobicContact CD1-CD2 3.81Å; L99-F124 HydrophobicContact CD1-CE2 3.6Å; L99-F124 HydrophobicContact CD1-CZ 4.37Å; F102-F124 HydrophobicContact CD1-CD2 4.04Å; F102-F124 HydrophobicContact CE1-CB 3.95Å; F102-F124 HydrophobicContact CE1-CD2 4.11Å; I103-F124 HydrophobicContact CD1-CE2 3.83Å; I103-F124 HydrophobicContact CD1-CZ 4.35Å; I103-F124 HydrophobicContact CG1-CD2 4.44Å; I103-F124 HydrophobicContact CG1-CE2 3.64Å; L120-F124 HydrophobicContact CB-CD1 4.07Å; L120-F124 HydrophobicContact CD1-CD1 3.99Å; L120-F124 HydrophobicContact CD1-CE1 3.95Å; L120-F124 HydrophobicContact CD2-CD1 3.76Å; L120-F124 HydrophobicContact CD2-CE1 3.75Å; L120-F124 HydrophobicContact CD2-CG 4.49Å; L120-F124 HydrophobicContact CD2-CZ 4.47Å; L120-F124 HydrophobicContact CG-CD1 4.16Å; L120-F124 HydrophobicContact CG-CE1 4.36Å; P121-F124 WeakPolarHBondContact O-CA 3.24Å; P121-F124 WeakPolarHBondContact O-CB 3.43Å; P121-F124 PolarHBondContact O-N 2.75Å; N122-F124 PolarHBondContact O-N 2.82Å; N122-F124 VanDerWaalsContact O-N 3.11Å; F124-S127 PolarHBondContact O-N 3.18Å; F124-V128 HydrophobicContact CD1-CG2 4.23Å; F124-V128 HydrophobicContact CE1-CG2 3.97Å; F124-V128 HydrophobicContact CZ-CG2 4.3Å; F124-V128 WeakPolarHBondContact O-CG2 3.21Å; F124-V128 PolarHBondContact O-N 3.39Å; F124-E187 HydrophobicContact CE2-CG 4.45Å; F124-I190 HydrophobicContact CE1-CD1 3.67Å; F124-I190 HydrophobicContact CZ-CD1 3.55Å; F124-I190 HydrophobicContact CZ-CG2 4.18Å
125L82.9Confident76.3Confident61 Ų6170.5 Ų70.532%0.31938%0.377SS..Hα-helixtrans-66.3-42179.6-59.7176000109.8L120 P121 N122 V128 V129 V177L120-L125 HydrophobicContact CB-CD2 4.04Å; L120-L125 HydrophobicContact CB-CG 4.31Å; L120-L125 HydrophobicContact CD1-CD2 3.98Å; P121-L125 PolarHBondContact O-N 2.82Å; N122-L125 WeakPolarHBondContact O-CA 3.44Å; N122-L125 WeakPolarHBondContact O-CB 3.17Å; N122-L125 PolarHBondContact O-N 3.19Å; L125-V128 PolarHBondContact O-N 3.3Å; L125-V129 WeakPolarHBondContact O-CG2 3.42Å; L125-V129 PolarHBondContact O-N 3.49Å; L125-V177 HydrophobicContact CD2-CG1 3.62Å
126T85.3Confident77.2Confident78 Ų7866.5 Ų66.548%0.47937%0.366SS..Hα-helixtrans-56.2-51.7169.9-48.40000111.1N122 V128 V129 D130N122-T126 PolarHBondContact O-N 3.14Å; N122-T126 PolarHBondContact O-OG1 3.5Å; T126-V128 VanDerWaalsContact C-N 3.26Å; T126-V128 PolarHBondContact O-N 2.92Å; T126-V129 PolarHBondContact O-N 2.9Å; T126-D130 PolarHBondContact O-N 3.41Å
127S84.6Confident78.1Confident33 Ų3365.7 Ų65.723%0.23136%0.356CS..Hα-helixtrans-60.4-32179-58.90000113.6D123 F124 L131D123-S127 WeakPolarHBondContact O-CB 3.33Å; D123-S127 PolarHBondContact O-N 3.2Å; D123-S127 PolarHBondContact O-OG 3.45Å; F124-S127 PolarHBondContact O-N 3.18Å; S127-L131 WeakPolarHBondContact O-CB 3.43Å; S127-L131 PolarHBondContact O-N 3.06Å
128V86.2Confident78.9Confident5 Ų562.5 Ų62.53%0.0334%0.337CS..Hα-helixtrans-74.5-39.6173.41700000111.5L99 F124 L125 T126 L131 I132 L173 V177L99-V128 HydrophobicContact CD1-CG2 4.41Å; L99-V128 HydrophobicContact CD2-CG2 3.69Å; F124-V128 HydrophobicContact CD1-CG2 4.23Å; F124-V128 HydrophobicContact CE1-CG2 3.97Å; F124-V128 HydrophobicContact CZ-CG2 4.3Å; F124-V128 WeakPolarHBondContact O-CG2 3.21Å; F124-V128 PolarHBondContact O-N 3.39Å; L125-V128 PolarHBondContact O-N 3.3Å; T126-V128 VanDerWaalsContact C-N 3.26Å; T126-V128 PolarHBondContact O-N 2.92Å; V128-L131 WeakPolarHBondContact O-CB 3.4Å; V128-L131 PolarHBondContact O-N 3.07Å; V128-I132 HydrophobicContact CG1-CD1 3.83Å; V128-I132 HydrophobicContact CG1-CG1 4.46Å; V128-I132 WeakPolarHBondContact O-CG1 3.29Å; V128-I132 PolarHBondContact O-N 3.01Å; V128-L173 HydrophobicContact CG1-CD1 3.92Å; V128-L173 HydrophobicContact CG1-CD2 4.1Å; V128-L173 HydrophobicContact CG1-CG 3.85Å; V128-L173 HydrophobicContact CG2-CD1 4.3Å; V128-V177 HydrophobicContact CG1-CG2 4.1Å; V128-V177 HydrophobicContact CG2-CG2 4.39Å
129V85.7Confident79.7Confident93 Ų9355.4 Ų55.456%0.56430%0.304SS*.Hα-helixtrans-63.6-43.91751690000110.7L125 T126 L131 I132 A133L125-V129 WeakPolarHBondContact O-CG2 3.42Å; L125-V129 PolarHBondContact O-N 3.49Å; T126-V129 PolarHBondContact O-N 2.9Å; V129-L131 VanDerWaalsContact C-N 3.29Å; V129-L131 PolarHBondContact O-N 3.35Å; V129-I132 CarbonylContact O-C 3.52Å; V129-I132 PolarHBondContact O-N 2.88Å; V129-A133 WeakPolarHBondContact O-CB 3.09Å; V129-A133 PolarHBondContact O-N 3.3Å
130D84.6Confident79.9Confident87 Ų8749 Ų4947%0.46529%0.285SS..Hα-helixtrans-60.5-38.1174.3-68.4-27.7000112T126 A133 A134T126-D130 PolarHBondContact O-N 3.41Å; D130-A133 PolarHBondContact O-N 2.84Å; D130-A134 WeakPolarHBondContact O-CB 3.42Å; D130-A134 PolarHBondContact O-N 2.89Å
131L86.3Confident79.8Confident1 Ų148.1 Ų48.11%0.00528%0.279CS..Hα-helixtrans-66.7-43.9175.2-176.858.6000111.9L92 S95 A96 L99 S127 V128 V129 A133 A135 L173 L197L92-L131 HydrophobicContact CD1-CD1 3.62Å; S95-L131 WeakPolarHBondContact OG-CA 3.38Å; S95-L131 PolarHBondContact OG-N 3.3Å; A96-L131 HydrophobicContact CB-CD1 3.92Å; L99-L131 HydrophobicContact CD2-CD2 3.77Å; S127-L131 WeakPolarHBondContact O-CB 3.43Å; S127-L131 PolarHBondContact O-N 3.06Å; V128-L131 WeakPolarHBondContact O-CB 3.4Å; V128-L131 PolarHBondContact O-N 3.07Å; V129-L131 VanDerWaalsContact C-N 3.29Å; V129-L131 PolarHBondContact O-N 3.35Å; L131-A133 VanDerWaalsContact C-N 3.33Å; L131-A135 WeakPolarHBondContact O-CB 3.47Å; L131-A135 PolarHBondContact O-N 3.22Å; L131-L173 HydrophobicContact CD2-CD2 3.79Å; L131-L173 HydrophobicContact CG-CD2 4.14Å; L131-L197 HydrophobicContact CD1-CD2 3.92Å; L131-L197 HydrophobicContact CD2-CD2 4.31Å; L131-L197 HydrophobicContact CG-CD2 4.21Å
132I84.9Confident79.4Confident31 Ų3146 Ų4616%0.15927%0.265CS..Hα-helixtrans-66.2-36.3175.3-68.6167.5000110.8V128 V129 A135 K136 L173V128-I132 HydrophobicContact CG1-CD1 3.83Å; V128-I132 HydrophobicContact CG1-CG1 4.46Å; V128-I132 WeakPolarHBondContact O-CG1 3.29Å; V128-I132 PolarHBondContact O-N 3.01Å; V129-I132 CarbonylContact O-C 3.52Å; V129-I132 PolarHBondContact O-N 2.88Å; I132-A135 PolarHBondContact O-N 3.02Å; I132-K136 HydrophobicContact CG2-CD 4.37Å; I132-K136 HydrophobicContact CG2-CG 4.44Å; I132-K136 WeakPolarHBondContact O-CB 3.39Å; I132-K136 VanDerWaalsContact O-CG 3.31Å; I132-K136 WeakPolarHBondContact O-CG 3.26Å; I132-K136 PolarHBondContact O-N 3.01Å; I132-L173 HydrophobicContact CD1-CD2 4.27Å; I132-L173 HydrophobicContact CD1-CG 4.35Å; I132-L173 HydrophobicContact CG1-CD2 3.82Å; I132-L173 HydrophobicContact CG1-CG 4.42Å
133A81Confident78.5Confident46 Ų4642 Ų4238%0.3824%0.244SC..Hα-helixtrans-65.5-49.5176.200000111.5V129 D130 L131 A135 K136 S137V129-A133 WeakPolarHBondContact O-CB 3.09Å; V129-A133 PolarHBondContact O-N 3.3Å; D130-A133 PolarHBondContact O-N 2.84Å; L131-A133 VanDerWaalsContact C-N 3.33Å; A133-A135 PolarHBondContact O-N 3.47Å; A133-K136 WeakPolarHBondContact O-CB 3.39Å; A133-K136 PolarHBondContact O-N 3.35Å; A133-K136 VanDerWaalsContact O-N 3.14Å; A133-S137 PolarHBondContact O-N 2.68Å; A133-S137 PolarHBondContact O-OG 3.43Å
134A81.9Confident77.3Confident18 Ų1839.6 Ų39.615%0.14923%0.227CC..Hα-helixtrans-59.1-37.3174.500000112.2L92 D130 S137 L138L92-A134 HydrophobicContact CB-CB 4.47Å; L92-A134 HydrophobicContact CD1-CB 3.9Å; D130-A134 WeakPolarHBondContact O-CB 3.42Å; D130-A134 PolarHBondContact O-N 2.89Å; A134-S137 PolarHBondContact O-N 3.15Å; A134-L138 PolarHBondContact O-N 2.98Å; A134-L138 VanDerWaalsContact O-N 3.11Å
135A82.9Confident75.6Confident0 Ų040 Ų400%023%0.229CC..Hα-helixtrans-70.3-39.2175.700000112.5L92 L131 I132 A133 S137 L138 L139 V166 C170L92-A135 HydrophobicContact CD1-CB 3.84Å; L92-A135 HydrophobicContact CD2-CB 4.14Å; L131-A135 WeakPolarHBondContact O-CB 3.47Å; L131-A135 PolarHBondContact O-N 3.22Å; I132-A135 PolarHBondContact O-N 3.02Å; A133-A135 PolarHBondContact O-N 3.47Å; A135-S137 VanDerWaalsContact C-N 3.34Å; A135-S137 PolarHBondContact O-N 2.96Å; A135-L138 PolarHBondContact O-N 3.18Å; A135-L139 VanDerWaalsContact O-CB 3.32Å; A135-L139 WeakPolarHBondContact O-CB 3.26Å; A135-L139 VanDerWaalsContact O-CG 3.28Å; A135-L139 WeakPolarHBondContact O-CG 3.45Å; A135-L139 PolarHBondContact O-N 3.16Å; A135-V166 HydrophobicContact CB-CG1 4.34Å; A135-C170 WeakPolarHBondContact CB-SG 3.42Å
136K78.7Confident73.6Confident144 Ų14439.7 Ų39.763%0.62623%0.233SC*.Hα-helixtrans-58.9-42.3171.6-79.7175.2175.1-175.10111.4I132 A133 L139 A140I132-K136 HydrophobicContact CG2-CD 4.37Å; I132-K136 HydrophobicContact CG2-CG 4.44Å; I132-K136 WeakPolarHBondContact O-CB 3.39Å; I132-K136 VanDerWaalsContact O-CG 3.31Å; I132-K136 WeakPolarHBondContact O-CG 3.26Å; I132-K136 PolarHBondContact O-N 3.01Å; A133-K136 WeakPolarHBondContact O-CB 3.39Å; A133-K136 PolarHBondContact O-N 3.35Å; A133-K136 VanDerWaalsContact O-N 3.14Å; K136-L139 PolarHBondContact O-N 3.43Å; K136-A140 VanDerWaalsContact O-CB 3.28Å; K136-A140 WeakPolarHBondContact O-CB 3.38Å; K136-A140 PolarHBondContact O-N 3.16Å
137S73.8Confident71.5Confident46 Ų4642.3 Ų42.332%0.32224%0.237SC..Hα-helixtrans-63.9-44.9175.8-57.40000112.3A133 A134 A135 A140 W141A133-S137 PolarHBondContact O-N 2.68Å; A133-S137 PolarHBondContact O-OG 3.43Å; A134-S137 PolarHBondContact O-N 3.15Å; A135-S137 VanDerWaalsContact C-N 3.34Å; A135-S137 PolarHBondContact O-N 2.96Å; S137-A140 PolarHBondContact O-N 3.47Å; S137-W141 PolarHBondContact O-N 3.32Å; S137-W141 VanDerWaalsContact O-N 3.12Å
138L74.7Confident69.5Low0 Ų043.1 Ų43.10%024%0.237CC..Hα-helixtrans-61.6-45.9175.2-176.168.8000111.5L85 L88 L92 A134 A135 W141 L142 I204L85-L138 HydrophobicContact CD1-CD1 3.5Å; L85-L138 VanDerWaalsContact CD1-CD1 3.5Å; L88-L138 HydrophobicContact CB-CD1 3.77Å; L92-L138 HydrophobicContact CD2-CB 4.24Å; L92-L138 HydrophobicContact CD2-CD2 3.41Å; L92-L138 VanDerWaalsContact CD2-CD2 3.41Å; L92-L138 HydrophobicContact CD2-CG 4.45Å; A134-L138 PolarHBondContact O-N 2.98Å; A134-L138 VanDerWaalsContact O-N 3.11Å; A135-L138 PolarHBondContact O-N 3.18Å; L138-W141 PolarHBondContact O-N 3.05Å; L138-L142 HydrophobicContact CG-CD1 4.27Å; L138-L142 WeakPolarHBondContact O-CG 3.46Å; L138-L142 PolarHBondContact O-N 3.09Å; L138-L142 VanDerWaalsContact O-N 3.08Å; L138-I204 HydrophobicContact CD2-CD1 4.09Å
139L73.3Confident67Low25 Ų2553.3 Ų53.313%0.13128%0.281CS..Hα-helixtrans-63-43.9176.7-74.2174.6000111.6A135 K136 W141 L142 D143 R163 V166 I167A135-L139 VanDerWaalsContact O-CB 3.32Å; A135-L139 WeakPolarHBondContact O-CB 3.26Å; A135-L139 VanDerWaalsContact O-CG 3.28Å; A135-L139 WeakPolarHBondContact O-CG 3.45Å; A135-L139 PolarHBondContact O-N 3.16Å; K136-L139 PolarHBondContact O-N 3.43Å; L139-W141 VanDerWaalsContact C-N 3.26Å; L139-W141 PolarHBondContact O-N 2.72Å; L139-L142 CarbonylContact O-C 3.54Å; L139-L142 PolarHBondContact O-N 2.85Å; L139-L142 VanDerWaalsContact O-N 3.09Å; L139-D143 VanDerWaalsContact O-CB 3.22Å; L139-D143 WeakPolarHBondContact O-CB 3.37Å; L139-D143 PolarHBondContact O-N 2.84Å; L139-D143 VanDerWaalsContact O-OD1 3.12Å; L139-R163 HydrophobicContact CD2-CG 4.08Å; L139-V166 HydrophobicContact CD1-CG1 4.03Å; L139-V166 HydrophobicContact CD2-CB 4Å; L139-V166 HydrophobicContact CD2-CG1 3.86Å; L139-V166 HydrophobicContact CG-CG1 3.82Å; L139-I167 HydrophobicContact CD1-CG1 3.71Å; L139-I167 HydrophobicContact CD2-CD1 4.28Å; L139-I167 HydrophobicContact CD2-CG1 3.65Å; L139-I167 HydrophobicContact CG-CG1 4.33Å
140A67.9Low64.9Low45 Ų4558.1 Ų58.137%0.37229%0.289SS..Hα-helixtrans-57.3-39.3175.800000111.9K136 S137 D143 R144K136-A140 VanDerWaalsContact O-CB 3.28Å; K136-A140 WeakPolarHBondContact O-CB 3.38Å; K136-A140 PolarHBondContact O-N 3.16Å; S137-A140 PolarHBondContact O-N 3.47Å; A140-D143 PolarHBondContact O-N 2.88Å; A140-R144 WeakPolarHBondContact O-CB 3.44Å; A140-R144 WeakPolarHBondContact O-CG 3.11Å; A140-R144 PolarHBondContact O-N 2.95Å
141W67.5Low62.9Low10 Ų1054.8 Ų54.84%0.03827%0.273CS..Hα-helixtrans-66.5-40.9175.4-153.5105.3000112.4E83 L85 L88 S137 L138 L139 C145 F153 P303E83-W141 PolarHBondContact O-NE1 3.02Å; L85-W141 HydrophobicContact CB-CD2 4.47Å; L85-W141 HydrophobicContact CB-CE3 4.14Å; L85-W141 HydrophobicContact CB-CH2 3.88Å; L85-W141 HydrophobicContact CB-CZ2 4.21Å; L85-W141 HydrophobicContact CB-CZ3 3.85Å; L85-W141 HydrophobicContact CD1-CE3 3.96Å; L85-W141 HydrophobicContact CD1-CZ3 4.27Å; L85-W141 HydrophobicContact CD2-CZ3 4.12Å; L85-W141 HydrophobicContact CG-CE3 4.46Å; L85-W141 HydrophobicContact CG-CZ3 4.31Å; L88-W141 HydrophobicContact CD1-CB 3.62Å; L88-W141 VanDerWaalsContact CD1-CD1 3.42Å; L88-W141 HydrophobicContact CD1-CG 3.65Å; S137-W141 PolarHBondContact O-N 3.32Å; S137-W141 VanDerWaalsContact O-N 3.12Å; L138-W141 PolarHBondContact O-N 3.05Å; L139-W141 VanDerWaalsContact C-N 3.26Å; L139-W141 PolarHBondContact O-N 2.72Å; W141-C145 PolarHBondContact O-SG 3.21Å; W141-F153 HydrophobicContact CZ3-CE2 4.08Å; W141-F153 HydrophobicContact CZ3-CZ 4.31Å; W141-P303 HydrophobicContact CH2-CG 3.84Å; W141-P303 HydrophobicContact CZ2-CG 3.98Å
142L65.3Low60.9Low11 Ų1157.4 Ų57.46%0.05829%0.29CS..Hα-helixtrans-70.2-32.4174-65.2169.8000112.6L85 L138 L139 C145 S146 R163L85-L142 HydrophobicContact CD1-CD2 4.1Å; L85-L142 HydrophobicContact CD1-CG 4.48Å; L138-L142 HydrophobicContact CG-CD1 4.27Å; L138-L142 WeakPolarHBondContact O-CG 3.46Å; L138-L142 PolarHBondContact O-N 3.09Å; L138-L142 VanDerWaalsContact O-N 3.08Å; L139-L142 CarbonylContact O-C 3.54Å; L139-L142 PolarHBondContact O-N 2.85Å; L139-L142 VanDerWaalsContact O-N 3.09Å; L142-C145 WeakPolarHBondContact O-CB 3.35Å; L142-C145 PolarHBondContact O-N 2.79Å; L142-S146 WeakPolarHBondContact O-CB 3.42Å; L142-S146 PolarHBondContact O-N 3.18Å; L142-R163 HydrophobicContact CD1-CB 4.32Å
143D59.8Low59Low42 Ų4256.6 Ų56.623%0.22529%0.285CS..Hα-helixtrans-78.4-39.7-178.2-89.657.7000112.7L139 A140 C145 S146 F147 R163L139-D143 VanDerWaalsContact O-CB 3.22Å; L139-D143 WeakPolarHBondContact O-CB 3.37Å; L139-D143 PolarHBondContact O-N 2.84Å; L139-D143 VanDerWaalsContact O-OD1 3.12Å; A140-D143 PolarHBondContact O-N 2.88Å; D143-C145 PolarHBondContact O-N 2.88Å; D143-C145 VanDerWaalsContact O-N 3.16Å; D143-S146 PolarHBondContact O-N 2.95Å; D143-F147 PolarHBondContact O-N 3.48Å; D143-R163 VanDerWaalsContact CG-NH2 3.35Å; D143-R163 IonicContact OD1-CZ 4Å; D143-R163 IonicContact OD1-NE 2.77Å; D143-R163 IonicContact OD1-NH1 2.75Å; D143-R163 PolarHBondContact OD1-NH1 3.48Å; D143-R163 IonicContact OD1-NH2 2.7Å; D143-R163 PolarHBondContact OD1-NH2 2.87Å; D143-R163 IonicContact OD2-CZ 3.49Å; D143-R163 IonicContact OD2-NH1 2.73Å; D143-R163 PolarHBondContact OD2-NH1 2.92Å; D143-R163 IonicContact OD2-NH2 3.18Å; D143-R163 PolarHBondContact OD2-NH2 3.36Å
144R54.3Low57.2Low55 Ų5558 Ų5821%0.20830%0.297CS..Hα-helixtrans-46.2-40.6165.6-84.7173.7158.1127.45.4111.7E83 A140 E267 K300 R302E83-R144 IonicContact OE2-NH1 2.82Å; A140-R144 WeakPolarHBondContact O-CB 3.44Å; A140-R144 WeakPolarHBondContact O-CG 3.11Å; A140-R144 PolarHBondContact O-N 2.95Å; R144-E267 VanDerWaalsContact CD-OE1 3.29Å; R144-E267 WeakPolarHBondContact CD-OE1 3.4Å; R144-E267 VanDerWaalsContact CG-OE1 3.28Å; R144-E267 WeakPolarHBondContact CG-OE1 3.3Å; R144-E267 IonicContact CZ-OE1 2.65Å; R144-E267 IonicContact CZ-OE2 3.2Å; R144-E267 IonicContact NE-OE1 2.65Å; R144-E267 PolarHBondContact NE-OE1 3.06Å; R144-E267 IonicContact NE-OE2 2.7Å; R144-E267 PolarHBondContact NE-OE2 2.96Å; R144-E267 IonicContact NH2-OE1 3.41Å; R144-E267 IonicContact NH2-OE2 3.76Å; R144-E267 PolarHBondContact NH2-OE2 2.97Å; R144-K300 VanDerWaalsContact NH2-NZ 3.11Å; R144-R302 PolarHBondContact O-NH2 3.21Å
145C46.7Very low55.2Low8 Ų861.8 Ų61.85%0.05433%0.328CS..Hα-helixtrans-75.6-46.3176.4-58.60000111.5W141 L142 D143 S151 F153W141-C145 PolarHBondContact O-SG 3.21Å; L142-C145 WeakPolarHBondContact O-CB 3.35Å; L142-C145 PolarHBondContact O-N 2.79Å; D143-C145 PolarHBondContact O-N 2.88Å; D143-C145 VanDerWaalsContact O-N 3.16Å; C145-S151 WeakPolarHBondContact CB-OG 3.39Å; C145-S151 WeakPolarHBondContact O-CA 3.24Å; C145-S151 WeakPolarHBondContact O-CB 3.29Å; C145-S151 PolarHBondContact O-OG 3.32Å; C145-F153 HydrophobicContact CB-CD2 3.99Å; C145-F153 HydrophobicContact CB-CE2 4.47Å
146S40.3Very low53.8Low56 Ų5664.3 Ų64.339%0.39234%0.343SS..Hα-helixtrans-76.5-32-166.9-172.40000116.9L142 D143 F148 R163L142-S146 WeakPolarHBondContact O-CB 3.42Å; L142-S146 PolarHBondContact O-N 3.18Å; D143-S146 PolarHBondContact O-N 2.95Å; S146-F148 PolarHBondContact O-N 2.81Å; S146-R163 VanDerWaalsContact CB-NH1 3.33Å; S146-R163 PolarHBondContact OG-NH1 3.42Å
147F41.4Very low52.6Low132 Ų13260.4 Ų60.458%0.57934%0.338SS*.THydrogen-bonded Turntrans-70.8-7.8-161.5-159.5-111.7000115.9D143D143-F147 PolarHBondContact O-N 3.48Å
148F43.3Very low51.9Low51 Ų5162.7 Ų62.722%0.22435%0.347CS..SBendtrans-139.580.4-175.3-72.5-83.6000113.5S146 R150 K238 V246 T248S146-F148 PolarHBondContact O-N 2.81Å; F148-R150 PolarHBondContact O-N 2.88Å; F148-K238 HydrophobicContact CE1-CD 3.78Å; F148-K238 HydrophobicContact CZ-CB 4.28Å; F148-K238 HydrophobicContact CZ-CD 3.63Å; F148-K238 HydrophobicContact CZ-CG 4.15Å; F148-V246 HydrophobicContact CD2-CG1 4.43Å; F148-V246 HydrophobicContact CE2-CB 4.29Å; F148-V246 HydrophobicContact CE2-CG1 4.17Å; F148-T248 HydrophobicContact CD1-CG2 4.06Å; F148-T248 HydrophobicContact CE1-CG2 3.51Å; F148-T248 HydrophobicContact CZ-CG2 3.83Å
149F33.7Very low51.4Low219 Ų21963.5 Ų63.596%0.96135%0.35SS*.SBendtrans43.5-7155-85-77.4000122.8
150R40.6Very low51Low193 Ų19365.4 Ų65.473%0.72837%0.365SS*.  trans-149.565.3172.4-88.4-173.3166.4-168.5-5.1107.4F148F148-R150 PolarHBondContact O-N 2.88Å
151S42.7Very low51.2Low17 Ų1767 Ų6712%0.11937%0.37CS..  trans-64.8138.2158.6179.60000107.8C145 F153 A154C145-S151 WeakPolarHBondContact CB-OG 3.39Å; C145-S151 WeakPolarHBondContact O-CA 3.24Å; C145-S151 WeakPolarHBondContact O-CB 3.29Å; C145-S151 PolarHBondContact O-OG 3.32Å; S151-F153 PolarHBondContact O-N 3.06Å; S151-F153 PolarHBondContact OG-N 3.01Å; S151-F153 VanDerWaalsContact OG-N 3.15Å; S151-A154 WeakPolarHBondContact O-CB 3.41Å; S151-A154 PolarHBondContact O-N 2.86Å
152P43.5Very low51.5Low56 Ų5667 Ų6736%0.36437%0.372SS..G310 helixtrans-52.1-35.8166.6-24.834.8000111.3
153F46.4Very low51.9Low14 Ų1468.7 Ų68.76%0.06138%0.377CS..G310 helixtrans-86.60.5179.4-50-75.4000114.3W141 C145 S151 A155 V156 Y159 M212W141-F153 HydrophobicContact CZ3-CE2 4.08Å; W141-F153 HydrophobicContact CZ3-CZ 4.31Å; C145-F153 HydrophobicContact CB-CD2 3.99Å; C145-F153 HydrophobicContact CB-CE2 4.47Å; S151-F153 PolarHBondContact O-N 3.06Å; S151-F153 PolarHBondContact OG-N 3.01Å; S151-F153 VanDerWaalsContact OG-N 3.15Å; F153-A155 PolarHBondContact O-N 3.07Å; F153-V156 PolarHBondContact O-N 3.16Å; F153-V156 VanDerWaalsContact O-O 3.07Å; F153-Y159 HydrophobicContact CB-CD2 4.04Å; F153-Y159 HydrophobicContact CB-CG 4.4Å; F153-Y159 AromaticContact CD1-CD2 3.73Å; F153-Y159 HydrophobicContact CD1-CD2 3.73Å; F153-Y159 AromaticContact CD1-CE2 3.73Å; F153-Y159 HydrophobicContact CD1-CE2 3.73Å; F153-Y159 HydrophobicContact CD1-CG 4.41Å; F153-Y159 HydrophobicContact CE1-CE2 4.28Å; F153-Y159 HydrophobicContact CG-CD2 4.21Å; F153-M212 HydrophobicContact CE1-CB 4.02Å; F153-M212 HydrophobicContact CZ-CB 4.02Å
154A42Very low52.9Low77 Ų7771 Ų7164%0.63639%0.389SS*.G310 helixtrans-68.8-16.3177.700000113.3S151S151-A154 WeakPolarHBondContact O-CB 3.41Å; S151-A154 PolarHBondContact O-N 2.86Å
155A41.6Very low54.3Low96 Ų9671.5 Ų71.579%0.79340%0.396SS*.G310 helixtrans-81.3-15.4171.100000113.2F153F153-A155 PolarHBondContact O-N 3.07Å
156V52Low56Low53 Ų5371.1 Ų71.132%0.32139%0.394SS..  trans-110.7100.1-175.5-178.70000108.6F153 D158 Y159F153-V156 PolarHBondContact O-N 3.16Å; F153-V156 VanDerWaalsContact O-O 3.07Å; V156-D158 HydrophobicContact CG1-CB 4.37Å; V156-D158 PolarHBondContact O-N 2.88Å; V156-D158 VanDerWaalsContact O-N 3.16Å; V156-Y159 HydrophobicContact CB-CD2 3.88Å; V156-Y159 HydrophobicContact CB-CE2 4.29Å; V156-Y159 HydrophobicContact CG1-CD2 3.56Å; V156-Y159 HydrophobicContact CG1-CE2 3.77Å; V156-Y159 PolarHBondContact O-N 3.09Å
157A53.2Low58.1Low63 Ų6370.8 Ų70.852%0.52139%0.387SS..Hα-helixtrans-56.4-35-172.900000112.9Y159 S160 V161A157-Y159 PolarHBondContact O-N 2.73Å; A157-S160 WeakPolarHBondContact O-CB 3.46Å; A157-S160 PolarHBondContact O-N 2.91Å; A157-S160 PolarHBondContact O-OG 3.18Å; A157-V161 PolarHBondContact O-N 3.29Å
158D59.8Low60.2Low93 Ų9370.5 Ų70.550%0.49739%0.388SS..Hα-helixtrans-58.4-44.7-172.4-47.7-60.4000112.1V156 S160 V161 T162V156-D158 HydrophobicContact CG1-CB 4.37Å; V156-D158 PolarHBondContact O-N 2.88Å; V156-D158 VanDerWaalsContact O-N 3.16Å; D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 2.8Å; D158-V161 PolarHBondContact O-N 2.89Å; D158-V161 VanDerWaalsContact O-N 3.14Å; D158-T162 WeakPolarHBondContact O-CB 3.49Å; D158-T162 PolarHBondContact O-N 3.35Å; D158-T162 PolarHBondContact O-OG1 3.49Å
159Y63.5Low62.3Low18 Ų1868.8 Ų68.87%0.07138%0.38CS..Hα-helixtrans-63.2-30.4177.5-67.7-67.4000113.1L85 F153 V156 A157 R163 V213L85-Y159 HydrophobicContact CD2-CE1 4.14Å; F153-Y159 HydrophobicContact CB-CD2 4.04Å; F153-Y159 HydrophobicContact CB-CG 4.4Å; F153-Y159 AromaticContact CD1-CD2 3.73Å; F153-Y159 HydrophobicContact CD1-CD2 3.73Å; F153-Y159 AromaticContact CD1-CE2 3.73Å; F153-Y159 HydrophobicContact CD1-CE2 3.73Å; F153-Y159 HydrophobicContact CD1-CG 4.41Å; F153-Y159 HydrophobicContact CE1-CE2 4.28Å; F153-Y159 HydrophobicContact CG-CD2 4.21Å; V156-Y159 HydrophobicContact CB-CD2 3.88Å; V156-Y159 HydrophobicContact CB-CE2 4.29Å; V156-Y159 HydrophobicContact CG1-CD2 3.56Å; V156-Y159 HydrophobicContact CG1-CE2 3.77Å; V156-Y159 PolarHBondContact O-N 3.09Å; A157-Y159 PolarHBondContact O-N 2.73Å; Y159-R163 VanDerWaalsContact O-CB 3.3Å; Y159-R163 WeakPolarHBondContact O-CB 3.49Å; Y159-R163 PolarHBondContact O-N 2.97Å; Y159-V213 WeakPolarHBondContact OH-CG2 3.41Å
160S66.6Low64.7Low64 Ų6459.1 Ų59.145%0.44834%0.34SS..Hα-helixtrans-73.6-35.5176.478.90000112.3A157 D158 N164A157-S160 WeakPolarHBondContact O-CB 3.46Å; A157-S160 PolarHBondContact O-N 2.91Å; A157-S160 PolarHBondContact O-OG 3.18Å; D158-S160 VanDerWaalsContact C-N 3.26Å; D158-S160 PolarHBondContact O-N 2.8Å; S160-N164 VanDerWaalsContact O-CG 3.3Å; S160-N164 PolarHBondContact O-N 3.36Å; S160-N164 PolarHBondContact O-ND2 2.89Å
161V72Confident66.9Low79 Ų7954.7 Ų54.748%0.47933%0.33SS..Hα-helixtrans-69.1-50.3173176.60000109.7A157 D158 R163 N164 N165A157-V161 PolarHBondContact O-N 3.29Å; D158-V161 PolarHBondContact O-N 2.89Å; D158-V161 VanDerWaalsContact O-N 3.14Å; V161-R163 PolarHBondContact O-N 3.5Å; V161-N164 PolarHBondContact O-N 2.91Å; V161-N164 VanDerWaalsContact O-N 3.1Å; V161-N165 VanDerWaalsContact O-CG 3.23Å; V161-N165 PolarHBondContact O-N 3.37Å; V161-N165 PolarHBondContact O-OD1 2.93Å
162T72.4Confident69Low11 Ų1157.3 Ų57.37%0.06734%0.341CS..Hα-helixtrans-49.6-51.4173.6-68.90000112.4D158 N164 N165 V166 V200 I204D158-T162 WeakPolarHBondContact O-CB 3.49Å; D158-T162 PolarHBondContact O-N 3.35Å; D158-T162 PolarHBondContact O-OG1 3.49Å; T162-N164 PolarHBondContact O-N 3.39Å; T162-N165 PolarHBondContact O-N 3.09Å; T162-V166 WeakPolarHBondContact O-CG2 3.46Å; T162-V166 PolarHBondContact O-N 3.23Å; T162-V200 HydrophobicContact CG2-CG1 3.81Å; T162-I204 HydrophobicContact CG2-CD1 3.59Å; T162-I204 HydrophobicContact CG2-CG1 3.73Å
163R75.1Confident71Confident46 Ų4654.7 Ų54.717%0.17432%0.324CS..Hα-helixtrans-54.6-51.3175.6175.3-158.1149.2118.623.8111.5L139 L142 D143 S146 Y159 V161 N165 V166 I167L139-R163 HydrophobicContact CD2-CG 4.08Å; L142-R163 HydrophobicContact CD1-CB 4.32Å; D143-R163 VanDerWaalsContact CG-NH2 3.35Å; D143-R163 IonicContact OD1-CZ 4Å; D143-R163 IonicContact OD1-NE 2.77Å; D143-R163 IonicContact OD1-NH1 2.75Å; D143-R163 PolarHBondContact OD1-NH1 3.48Å; D143-R163 IonicContact OD1-NH2 2.7Å; D143-R163 PolarHBondContact OD1-NH2 2.87Å; D143-R163 IonicContact OD2-CZ 3.49Å; D143-R163 IonicContact OD2-NH1 2.73Å; D143-R163 PolarHBondContact OD2-NH1 2.92Å; D143-R163 IonicContact OD2-NH2 3.18Å; D143-R163 PolarHBondContact OD2-NH2 3.36Å; S146-R163 VanDerWaalsContact CB-NH1 3.33Å; S146-R163 PolarHBondContact OG-NH1 3.42Å; Y159-R163 VanDerWaalsContact O-CB 3.3Å; Y159-R163 WeakPolarHBondContact O-CB 3.49Å; Y159-R163 PolarHBondContact O-N 2.97Å; V161-R163 PolarHBondContact O-N 3.5Å; R163-N165 VanDerWaalsContact C-N 3.33Å; R163-N165 PolarHBondContact O-N 3.01Å; R163-V166 PolarHBondContact O-N 2.67Å; R163-I167 HydrophobicContact CG-CD1 4.02Å; R163-I167 WeakPolarHBondContact O-CG1 3.4Å; R163-I167 PolarHBondContact O-N 2.91Å
164N80.8Confident72.8Confident90 Ų9056.4 Ų56.448%0.48134%0.335SS..Hα-helixtrans-65.5-37.1-177.7-69.6-32000111.9S160 V161 T162 I167 Q168S160-N164 VanDerWaalsContact O-CG 3.3Å; S160-N164 PolarHBondContact O-N 3.36Å; S160-N164 PolarHBondContact O-ND2 2.89Å; V161-N164 PolarHBondContact O-N 2.91Å; V161-N164 VanDerWaalsContact O-N 3.1Å; T162-N164 PolarHBondContact O-N 3.39Å; N164-I167 PolarHBondContact O-N 3.03Å; N164-Q168 WeakPolarHBondContact O-CB 3.48Å; N164-Q168 PolarHBondContact O-N 2.81Å
165N81.9Confident74.8Confident66 Ų6655.7 Ų55.735%0.35332%0.323SS..Hα-helixtrans-62.7-46.1173.9-66.8-6.4000111.2V161 T162 R163 I167 Q168 L169V161-N165 VanDerWaalsContact O-CG 3.23Å; V161-N165 PolarHBondContact O-N 3.37Å; V161-N165 PolarHBondContact O-OD1 2.93Å; T162-N165 PolarHBondContact O-N 3.09Å; R163-N165 VanDerWaalsContact C-N 3.33Å; R163-N165 PolarHBondContact O-N 3.01Å; N165-I167 PolarHBondContact O-N 2.98Å; N165-Q168 PolarHBondContact O-N 3.19Å; N165-L169 WeakPolarHBondContact O-CB 3.46Å; N165-L169 VanDerWaalsContact O-CG 3.22Å; N165-L169 WeakPolarHBondContact O-CG 3.27Å; N165-L169 PolarHBondContact O-N 2.84Å
166V83.4Confident76.8Confident0 Ų051.2 Ų51.20%029%0.286CS..Hα-helixtrans-63-41.9176.8175.60000111.3A135 L139 T162 R163 L169 C170 L197 V200A135-V166 HydrophobicContact CB-CG1 4.34Å; L139-V166 HydrophobicContact CD1-CG1 4.03Å; L139-V166 HydrophobicContact CD2-CB 4Å; L139-V166 HydrophobicContact CD2-CG1 3.86Å; L139-V166 HydrophobicContact CG-CG1 3.82Å; T162-V166 WeakPolarHBondContact O-CG2 3.46Å; T162-V166 PolarHBondContact O-N 3.23Å; R163-V166 PolarHBondContact O-N 2.67Å; V166-L169 PolarHBondContact O-N 3.43Å; V166-C170 WeakPolarHBondContact O-CB 3.5Å; V166-C170 PolarHBondContact O-N 3.5Å; V166-C170 PolarHBondContact O-SG 3.35Å; V166-L197 HydrophobicContact CB-CD1 4.48Å; V166-L197 HydrophobicContact CG1-CD1 4.14Å; V166-L197 HydrophobicContact CG2-CD1 4.03Å; V166-V200 HydrophobicContact CG2-CG1 3.86Å
167I85.1Confident78.1Confident49 Ų4950.8 Ų50.825%0.25128%0.283SS..Hα-helixtrans-59-48.2173.7-68167.3000110.7L139 R163 N164 N165 C170 L171L139-I167 HydrophobicContact CD1-CG1 3.71Å; L139-I167 HydrophobicContact CD2-CD1 4.28Å; L139-I167 HydrophobicContact CD2-CG1 3.65Å; L139-I167 HydrophobicContact CG-CG1 4.33Å; R163-I167 HydrophobicContact CG-CD1 4.02Å; R163-I167 WeakPolarHBondContact O-CG1 3.4Å; R163-I167 PolarHBondContact O-N 2.91Å; N164-I167 PolarHBondContact O-N 3.03Å; N165-I167 PolarHBondContact O-N 2.98Å; I167-C170 PolarHBondContact O-N 3.42Å; I167-L171 HydrophobicContact CG2-CD1 3.94Å; I167-L171 WeakPolarHBondContact O-CG 3.4Å; I167-L171 PolarHBondContact O-N 3.42Å
168Q85.6Confident79.4Confident126 Ų12654.9 Ų54.959%0.58929%0.292SS*.Hα-helixtrans-61.5-45.9179.5-177.2175.9-41.200111.6N164 N165 C170 L171 E172N164-Q168 WeakPolarHBondContact O-CB 3.48Å; N164-Q168 PolarHBondContact O-N 2.81Å; N165-Q168 PolarHBondContact O-N 3.19Å; Q168-C170 VanDerWaalsContact C-N 3.34Å; Q168-C170 PolarHBondContact O-N 2.89Å; Q168-L171 PolarHBondContact O-N 2.88Å; Q168-E172 WeakPolarHBondContact O-CB 3.38Å; Q168-E172 PolarHBondContact O-N 3.49Å
169L85.7Confident80.2Confident14 Ų1454.2 Ų54.27%0.07329%0.285CS..Hα-helixtrans-63.1-36.7178.4-71166000112.3N165 V166 L173 V193 T196 L197N165-L169 WeakPolarHBondContact O-CB 3.46Å; N165-L169 VanDerWaalsContact O-CG 3.22Å; N165-L169 WeakPolarHBondContact O-CG 3.27Å; N165-L169 PolarHBondContact O-N 2.84Å; V166-L169 PolarHBondContact O-N 3.43Å; L169-L173 VanDerWaalsContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CB 3.32Å; L169-L173 PolarHBondContact O-N 2.89Å; L169-V193 HydrophobicContact CB-CG1 4.1Å; L169-V193 HydrophobicContact CD2-CB 4.4Å; L169-V193 HydrophobicContact CD2-CG1 4.01Å; L169-V193 HydrophobicContact CD2-CG2 4.31Å; L169-T196 HydrophobicContact CD1-CG2 4.03Å; L169-T196 HydrophobicContact CD2-CG2 4.2Å; L169-L197 HydrophobicContact CD1-CB 4.29Å; L169-L197 HydrophobicContact CD1-CD1 4.13Å
170C85.8Confident80Confident16 Ų1661.7 Ų61.711%0.10833%0.327CS..Hα-helixtrans-70.6-38.7175.7-65.90000112.7A135 V166 I167 Q168 T174A135-C170 WeakPolarHBondContact CB-SG 3.42Å; V166-C170 WeakPolarHBondContact O-CB 3.5Å; V166-C170 PolarHBondContact O-N 3.5Å; V166-C170 PolarHBondContact O-SG 3.35Å; I167-C170 PolarHBondContact O-N 3.42Å; Q168-C170 VanDerWaalsContact C-N 3.34Å; Q168-C170 PolarHBondContact O-N 2.89Å; C170-T174 WeakPolarHBondContact O-CB 3.18Å; C170-T174 PolarHBondContact O-N 3.04Å; C170-T174 PolarHBondContact O-OG1 2.89Å
171L85.6Confident80.2Confident101 Ų10160.8 Ų60.853%0.52932%0.319SS..Hα-helixtrans-65.9-44.5173-70.3171.1000110.6I167 Q168 T174 T175I167-L171 HydrophobicContact CG2-CD1 3.94Å; I167-L171 WeakPolarHBondContact O-CG 3.4Å; I167-L171 PolarHBondContact O-N 3.42Å; Q168-L171 PolarHBondContact O-N 2.88Å; L171-T174 WeakPolarHBondContact O-CB 3.35Å; L171-T174 PolarHBondContact O-N 2.83Å; L171-T175 WeakPolarHBondContact O-CG2 3.38Å; L171-T175 PolarHBondContact O-N 2.87Å; L171-T175 PolarHBondContact O-OG1 2.71Å
172E86.6Confident80.3Confident72 Ų7258.8 Ų58.834%0.33631%0.309SS..Hα-helixtrans-59-52176.4-169.3175.8167.200110.9Q168 T174 T175 I176 V193Q168-E172 WeakPolarHBondContact O-CB 3.38Å; Q168-E172 PolarHBondContact O-N 3.49Å; E172-T174 VanDerWaalsContact C-N 3.3Å; E172-T174 PolarHBondContact O-N 3.27Å; E172-T175 CarbonylContact O-C 3.54Å; E172-T175 PolarHBondContact O-N 3.27Å; E172-T175 PolarHBondContact O-OG1 2.68Å; E172-I176 HydrophobicContact CG-CD1 3.91Å; E172-I176 HydrophobicContact CG-CG1 4.39Å; E172-I176 VanDerWaalsContact O-CG1 3.26Å; E172-I176 WeakPolarHBondContact O-CG1 3.46Å; E172-I176 PolarHBondContact O-N 2.87Å; E172-V193 HydrophobicContact CB-CG2 4.5Å; E172-V193 HydrophobicContact CG-CG2 4.13Å
173L85.9Confident80.4Confident1 Ų158.7 Ų58.71%0.00531%0.308CS..Hα-helixtrans-50.1-47.4173.4179.755.8000112.6V128 L131 I132 L169 I176 V177 I190 V193V128-L173 HydrophobicContact CG1-CD1 3.92Å; V128-L173 HydrophobicContact CG1-CD2 4.1Å; V128-L173 HydrophobicContact CG1-CG 3.85Å; V128-L173 HydrophobicContact CG2-CD1 4.3Å; L131-L173 HydrophobicContact CD2-CD2 3.79Å; L131-L173 HydrophobicContact CG-CD2 4.14Å; I132-L173 HydrophobicContact CD1-CD2 4.27Å; I132-L173 HydrophobicContact CD1-CG 4.35Å; I132-L173 HydrophobicContact CG1-CD2 3.82Å; I132-L173 HydrophobicContact CG1-CG 4.42Å; L169-L173 VanDerWaalsContact O-CB 3.23Å; L169-L173 WeakPolarHBondContact O-CB 3.32Å; L169-L173 PolarHBondContact O-N 2.89Å; L173-I176 PolarHBondContact O-N 2.89Å; L173-V177 PolarHBondContact O-N 3.1Å; L173-I190 HydrophobicContact CD1-CB 4.45Å; L173-I190 HydrophobicContact CD1-CD1 4.13Å; L173-I190 HydrophobicContact CD1-CG1 3.78Å; L173-I190 HydrophobicContact CD1-CG2 4.01Å; L173-V193 HydrophobicContact CB-CG1 4.17Å
174T84.4Confident80.5Confident49 Ų4962 Ų6230%0.30132%0.322SS..Hα-helixtrans-62.5-44.9177.4-53.90000111.2C170 L171 E172 I176 V177 Q178C170-T174 WeakPolarHBondContact O-CB 3.18Å; C170-T174 PolarHBondContact O-N 3.04Å; C170-T174 PolarHBondContact O-OG1 2.89Å; L171-T174 WeakPolarHBondContact O-CB 3.35Å; L171-T174 PolarHBondContact O-N 2.83Å; E172-T174 VanDerWaalsContact C-N 3.3Å; E172-T174 PolarHBondContact O-N 3.27Å; T174-I176 PolarHBondContact O-N 3.08Å; T174-V177 PolarHBondContact O-N 2.94Å; T174-Q178 WeakPolarHBondContact O-CG 3.45Å; T174-Q178 PolarHBondContact O-N 3.31Å
175T84.4Confident80.4Confident63 Ų6362.3 Ų62.339%0.38732%0.32SS..Hα-helixtrans-69.7-27.7177.962.50000113.7L171 E172 Q178 Q179L171-T175 WeakPolarHBondContact O-CG2 3.38Å; L171-T175 PolarHBondContact O-N 2.87Å; L171-T175 PolarHBondContact O-OG1 2.71Å; E172-T175 CarbonylContact O-C 3.54Å; E172-T175 PolarHBondContact O-N 3.27Å; E172-T175 PolarHBondContact O-OG1 2.68Å; T175-Q178 CarbonylContact O-C 3.56Å; T175-Q178 PolarHBondContact O-N 2.77Å; T175-Q179 WeakPolarHBondContact O-CB 3.4Å; T175-Q179 WeakPolarHBondContact O-CG 3.44Å; T175-Q179 PolarHBondContact O-N 3.29Å; T175-Q179 VanDerWaalsContact O-N 3.08Å; T175-Q179 PolarHBondContact O-NE2 2.88Å
176I82.9Confident80.3Confident2 Ų259.4 Ų59.41%0.0131%0.305CS..Hα-helixtrans-70.2-40.4176.4-64.1156.6000110.6E172 L173 T174 Q178 Q179 T186 K189 I190 V193E172-I176 HydrophobicContact CG-CD1 3.91Å; E172-I176 HydrophobicContact CG-CG1 4.39Å; E172-I176 VanDerWaalsContact O-CG1 3.26Å; E172-I176 WeakPolarHBondContact O-CG1 3.46Å; E172-I176 PolarHBondContact O-N 2.87Å; L173-I176 PolarHBondContact O-N 2.89Å; T174-I176 PolarHBondContact O-N 3.08Å; I176-Q178 PolarHBondContact O-N 3.03Å; I176-Q179 PolarHBondContact O-N 3.2Å; I176-T186 HydrophobicContact CG2-CG2 4.13Å; I176-K189 HydrophobicContact CD1-CB 3.64Å; I176-K189 HydrophobicContact CG1-CB 3.97Å; I176-K189 HydrophobicContact CG1-CD 4.12Å; I176-K189 HydrophobicContact CG2-CB 3.88Å; I176-K189 HydrophobicContact CG2-CD 4.01Å; I176-I190 HydrophobicContact CB-CD1 4.48Å; I176-I190 HydrophobicContact CB-CG1 4.21Å; I176-I190 HydrophobicContact CD1-CG1 4.27Å; I176-I190 HydrophobicContact CG2-CD1 3.9Å; I176-I190 HydrophobicContact CG2-CG1 3.74Å; I176-V193 HydrophobicContact CD1-CG2 3.93Å
177V80.1Confident80.2Confident44 Ų4459.4 Ų59.427%0.26731%0.305SS..Hα-helixtrans-68-23175.2173.30000112.1L120 L125 V128 L173 T174 I190L120-V177 HydrophobicContact CD1-CG1 4.26Å; L125-V177 HydrophobicContact CD2-CG1 3.62Å; V128-V177 HydrophobicContact CG1-CG2 4.1Å; V128-V177 HydrophobicContact CG2-CG2 4.39Å; L173-V177 PolarHBondContact O-N 3.1Å; T174-V177 PolarHBondContact O-N 2.94Å; V177-I190 HydrophobicContact CG2-CD1 3.86Å
178Q79.6Confident80.2Confident149 Ų14959.9 Ų59.970%0.69631%0.308SS*.THydrogen-bonded Turntrans-95.73176.1-66.1174.7-2.800114.1T174 T175 I176T174-Q178 WeakPolarHBondContact O-CG 3.45Å; T174-Q178 PolarHBondContact O-N 3.31Å; T175-Q178 CarbonylContact O-C 3.56Å; T175-Q178 PolarHBondContact O-N 2.77Å; I176-Q178 PolarHBondContact O-N 3.03Å
179Q76.8Confident80.2Confident78 Ų7857.2 Ų57.236%0.36429%0.294SS..SBendtrans-93.6127.3179.3-90.916445.400111.5T175 I176 C181T175-Q179 WeakPolarHBondContact O-CB 3.4Å; T175-Q179 WeakPolarHBondContact O-CG 3.44Å; T175-Q179 PolarHBondContact O-N 3.29Å; T175-Q179 VanDerWaalsContact O-N 3.08Å; T175-Q179 PolarHBondContact O-NE2 2.88Å; I176-Q179 PolarHBondContact O-N 3.2Å; Q179-C181 PolarHBondContact O-N 2.7Å
180D59.9Low80.1Confident176 Ų17656.5 Ų56.594%0.94129%0.291SS*.  trans-65.493166.5-64.5-56.7000110.1
181C69.6Low80.2Confident44 Ų4457.3 Ų57.330%0.29729%0.294SS..  trans-144.4164.1-179.6-74.60000108.8Q179 E185 T186 K189Q179-C181 PolarHBondContact O-N 2.7Å; C181-E185 HydrophobicContact CB-CB 4.39Å; C181-T186 HydrophobicContact CB-CG2 3.71Å; C181-K189 PolarHBondContact SG-NZ 2.95Å
182S74.3Confident80.2Confident37 Ų3758.3 Ų58.326%0.25930%0.295SS..  trans-65.7151.1173.467.90000111.4Y184 E185 T186S182-Y184 PolarHBondContact O-N 3.36Å; S182-E185 WeakPolarHBondContact CB-OE2 3.18Å; S182-E185 PolarHBondContact N-OE2 3.03Å; S182-E185 PolarHBondContact O-N 3.02Å; S182-E185 VanDerWaalsContact OG-CG 3.23Å; S182-E185 WeakPolarHBondContact OG-CG 3.47Å; S182-E185 PolarHBondContact OG-N 2.68Å; S182-E185 PolarHBondContact OG-OE2 3.3Å; S182-T186 PolarHBondContact O-N 3.27Å; S182-T186 PolarHBondContact O-OG1 3.04Å
183V75.4Confident80.3Confident9 Ų954.9 Ų54.96%0.05528%0.279CS..Hα-helixtrans-58.8-32.7177.2162.10000111.9T117 L120 T186 E187T117-V183 WeakPolarHBondContact O-CG2 3.45Å; L120-V183 HydrophobicContact CD2-CG1 4.34Å; L120-V183 HydrophobicContact CD2-CG2 3.91Å; L120-V183 HydrophobicContact CG-CG2 4.45Å; V183-T186 WeakPolarHBondContact CA-OG1 3.34Å; V183-T186 PolarHBondContact O-OG1 2.82Å; V183-E187 HydrophobicContact CG1-CG 4.34Å; V183-E187 VanDerWaalsContact O-CB 3.25Å; V183-E187 WeakPolarHBondContact O-CB 3.26Å; V183-E187 VanDerWaalsContact O-CG 3.28Å; V183-E187 WeakPolarHBondContact O-CG 3.49Å; V183-E187 PolarHBondContact O-N 3.14Å
184Y76.8Confident80.3Confident116 Ų11654.8 Ų54.846%0.45528%0.279SS..Hα-helixtrans-63.6-39.6173.4-175.3-104.3000113.2R107 Y112 G114 S182 N188R107-Y184 PolarHBondContact NH2-O 2.93Å; Y112-Y184 HydrophobicContact CE1-CD2 4.01Å; G114-Y184 PolarHBondContact O-N 2.79Å; S182-Y184 PolarHBondContact O-N 3.36Å; Y184-N188 WeakPolarHBondContact CE1-ND2 3.42Å; Y184-N188 WeakPolarHBondContact O-CB 3.37Å; Y184-N188 PolarHBondContact O-N 3.4Å; Y184-N188 PolarHBondContact O-ND2 2.95Å
185E78.9Confident80.5Confident96 Ų9657.8 Ų57.845%0.44929%0.288SS..Hα-helixtrans-74.6-41.7178.5-70.6163.8129.700112.6C181 S182 N188 K189C181-E185 HydrophobicContact CB-CB 4.39Å; S182-E185 WeakPolarHBondContact CB-OE2 3.18Å; S182-E185 PolarHBondContact N-OE2 3.03Å; S182-E185 PolarHBondContact O-N 3.02Å; S182-E185 VanDerWaalsContact OG-CG 3.23Å; S182-E185 WeakPolarHBondContact OG-CG 3.47Å; S182-E185 PolarHBondContact OG-N 2.68Å; S182-E185 PolarHBondContact OG-OE2 3.3Å; E185-N188 PolarHBondContact O-N 2.94Å; E185-K189 WeakPolarHBondContact O-CG 3.05Å; E185-K189 PolarHBondContact O-N 3.26Å
186T79.1Confident80.6Confident5 Ų556.7 Ų56.73%0.03128%0.281CS..Hα-helixtrans-65-43.8176.155.90000110.8I176 C181 S182 V183 N188 K189 I190I176-T186 HydrophobicContact CG2-CG2 4.13Å; C181-T186 HydrophobicContact CB-CG2 3.71Å; S182-T186 PolarHBondContact O-N 3.27Å; S182-T186 PolarHBondContact O-OG1 3.04Å; V183-T186 WeakPolarHBondContact CA-OG1 3.34Å; V183-T186 PolarHBondContact O-OG1 2.82Å; T186-N188 VanDerWaalsContact C-N 3.33Å; T186-N188 PolarHBondContact O-N 2.73Å; T186-K189 PolarHBondContact O-N 3.25Å; T186-I190 WeakPolarHBondContact O-CB 3.4Å; T186-I190 VanDerWaalsContact O-CG1 3.24Å; T186-I190 WeakPolarHBondContact O-CG1 3.38Å; T186-I190 PolarHBondContact O-N 3.04Å
187E82.7Confident80.8Confident0 Ų056.6 Ų56.60%028%0.281CS..Hα-helixtrans-59.4-39171.4-78.9-173.3158.200112.8I103 R106 R107 Y112 F124 V183 I190 L191I103-E187 HydrophobicContact CG1-CG 4.21Å; I103-E187 HydrophobicContact CG2-CB 3.91Å; I103-E187 HydrophobicContact CG2-CG 4Å; R106-E187 IonicContact CZ-OE1 3.35Å; R106-E187 IonicContact NE-OE1 3.16Å; R106-E187 PolarHBondContact NE-OE1 3.23Å; R106-E187 VanDerWaalsContact NE-OE1 3.16Å; R106-E187 IonicContact NH2-OE1 2.7Å; R106-E187 PolarHBondContact NH2-OE1 3.25Å; R107-E187 IonicContact CZ-OE2 3.45Å; R107-E187 IonicContact NE-OE2 2.81Å; R107-E187 PolarHBondContact NE-OE2 2.95Å; R107-E187 IonicContact NH2-OE2 3.07Å; R107-E187 PolarHBondContact NH2-OE2 2.96Å; Y112-E187 WeakPolarHBondContact CE2-OE2 3.13Å; Y112-E187 PolarHBondContact OH-OE2 2.88Å; F124-E187 HydrophobicContact CE2-CG 4.45Å; V183-E187 HydrophobicContact CG1-CG 4.34Å; V183-E187 VanDerWaalsContact O-CB 3.25Å; V183-E187 WeakPolarHBondContact O-CB 3.26Å; V183-E187 VanDerWaalsContact O-CG 3.28Å; V183-E187 WeakPolarHBondContact O-CG 3.49Å; V183-E187 PolarHBondContact O-N 3.14Å; E187-I190 PolarHBondContact O-N 3.24Å; E187-L191 WeakPolarHBondContact O-CB 3.23Å; E187-L191 VanDerWaalsContact O-CG 3.3Å; E187-L191 WeakPolarHBondContact O-CG 3.36Å; E187-L191 PolarHBondContact O-N 3.06Å
188N84.8Confident81.1Confident59 Ų5954.9 Ų54.932%0.31627%0.271SS..Hα-helixtrans-65.6-46.5177.4-81.2-22000112.3R107 Y184 E185 T186 I190 L191 H192R107-N188 VanDerWaalsContact CZ-OD1 3.3Å; R107-N188 PolarHBondContact NH1-OD1 3.04Å; R107-N188 PolarHBondContact NH2-OD1 3.08Å; Y184-N188 WeakPolarHBondContact CE1-ND2 3.42Å; Y184-N188 WeakPolarHBondContact O-CB 3.37Å; Y184-N188 PolarHBondContact O-N 3.4Å; Y184-N188 PolarHBondContact O-ND2 2.95Å; E185-N188 PolarHBondContact O-N 2.94Å; T186-N188 VanDerWaalsContact C-N 3.33Å; T186-N188 PolarHBondContact O-N 2.73Å; N188-I190 VanDerWaalsContact C-N 3.33Å; N188-L191 PolarHBondContact O-N 2.76Å; N188-H192 PolarHBondContact O-N 3.43Å; N188-H192 VanDerWaalsContact O-N 3.17Å
189K84.6Confident81.4Confident70 Ų7051.6 Ų51.630%0.30426%0.255SS..Hα-helixtrans-60.8-43.6175.4-67.5169.9-177.9173.10110.6I176 C181 E185 T186 H192 V193I176-K189 HydrophobicContact CD1-CB 3.64Å; I176-K189 HydrophobicContact CG1-CB 3.97Å; I176-K189 HydrophobicContact CG1-CD 4.12Å; I176-K189 HydrophobicContact CG2-CB 3.88Å; I176-K189 HydrophobicContact CG2-CD 4.01Å; C181-K189 PolarHBondContact SG-NZ 2.95Å; E185-K189 WeakPolarHBondContact O-CG 3.05Å; E185-K189 PolarHBondContact O-N 3.26Å; T186-K189 PolarHBondContact O-N 3.25Å; K189-H192 WeakPolarHBondContact O-CB 3.3Å; K189-H192 PolarHBondContact O-N 2.97Å; K189-V193 WeakPolarHBondContact O-CG2 3.34Å; K189-V193 PolarHBondContact O-N 3.15Å
190I85Confident81.6Confident0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-67-39.8179-70.1170.3000111.7L99 I103 F124 L173 I176 V177 T186 E187 N188 H192 V193 C194L99-I190 HydrophobicContact CD2-CG2 3.85Å; L99-I190 HydrophobicContact CG-CG2 4.3Å; I103-I190 HydrophobicContact CD1-CG2 3.98Å; F124-I190 HydrophobicContact CE1-CD1 3.67Å; F124-I190 HydrophobicContact CZ-CD1 3.55Å; F124-I190 HydrophobicContact CZ-CG2 4.18Å; L173-I190 HydrophobicContact CD1-CB 4.45Å; L173-I190 HydrophobicContact CD1-CD1 4.13Å; L173-I190 HydrophobicContact CD1-CG1 3.78Å; L173-I190 HydrophobicContact CD1-CG2 4.01Å; I176-I190 HydrophobicContact CB-CD1 4.48Å; I176-I190 HydrophobicContact CB-CG1 4.21Å; I176-I190 HydrophobicContact CD1-CG1 4.27Å; I176-I190 HydrophobicContact CG2-CD1 3.9Å; I176-I190 HydrophobicContact CG2-CG1 3.74Å; V177-I190 HydrophobicContact CG2-CD1 3.86Å; T186-I190 WeakPolarHBondContact O-CB 3.4Å; T186-I190 VanDerWaalsContact O-CG1 3.24Å; T186-I190 WeakPolarHBondContact O-CG1 3.38Å; T186-I190 PolarHBondContact O-N 3.04Å; E187-I190 PolarHBondContact O-N 3.24Å; N188-I190 VanDerWaalsContact C-N 3.33Å; I190-H192 VanDerWaalsContact C-N 3.3Å; I190-H192 PolarHBondContact O-N 2.62Å; I190-V193 PolarHBondContact O-N 3.15Å; I190-C194 WeakPolarHBondContact O-CB 3.27Å; I190-C194 PolarHBondContact O-N 3.41Å; I190-C194 PolarHBondContact O-SG 3.32Å
191L86.1Confident82.6Confident33 Ų3339.8 Ų39.817%0.17320%0.195CC..Hα-helixtrans-57.9-41.1172.3-79.5174.1000112.3Q100 I103 E187 N188 K195Q100-L191 HydrophobicContact CB-CD2 4.13Å; Q100-L191 HydrophobicContact CG-CD2 3.84Å; I103-L191 HydrophobicContact CB-CD2 4.04Å; I103-L191 HydrophobicContact CB-CG 4.34Å; I103-L191 HydrophobicContact CD1-CD2 3.89Å; I103-L191 HydrophobicContact CD1-CG 3.9Å; I103-L191 HydrophobicContact CG2-CD1 3.71Å; I103-L191 HydrophobicContact CG2-CD2 3.99Å; I103-L191 HydrophobicContact CG2-CG 3.82Å; E187-L191 WeakPolarHBondContact O-CB 3.23Å; E187-L191 VanDerWaalsContact O-CG 3.3Å; E187-L191 WeakPolarHBondContact O-CG 3.36Å; E187-L191 PolarHBondContact O-N 3.06Å; N188-L191 PolarHBondContact O-N 2.76Å; L191-K195 WeakPolarHBondContact O-CB 3.2Å; L191-K195 PolarHBondContact O-N 3.11Å
192H86.5Confident83.1Confident121 Ų12140.8 Ų40.856%0.5620%0.197SC*.Hα-helixtrans-63.2-50.6176.1-17757.1000111.3N188 K189 I190 C194 K195 T196N188-H192 PolarHBondContact O-N 3.43Å; N188-H192 VanDerWaalsContact O-N 3.17Å; K189-H192 WeakPolarHBondContact O-CB 3.3Å; K189-H192 PolarHBondContact O-N 2.97Å; I190-H192 VanDerWaalsContact C-N 3.3Å; I190-H192 PolarHBondContact O-N 2.62Å; H192-C194 PolarHBondContact O-N 3.44Å; H192-K195 PolarHBondContact O-N 2.99Å; H192-T196 PolarHBondContact O-N 3.11Å; H192-T196 PolarHBondContact O-OG1 3.39Å
193V87.6Confident83.3Confident0 Ų044 Ų440%021%0.208CC..Hα-helixtrans-57.9-46.2176.9171.70000111.6L169 E172 L173 I176 K189 I190 K195 T196 L197L169-V193 HydrophobicContact CB-CG1 4.1Å; L169-V193 HydrophobicContact CD2-CB 4.4Å; L169-V193 HydrophobicContact CD2-CG1 4.01Å; L169-V193 HydrophobicContact CD2-CG2 4.31Å; E172-V193 HydrophobicContact CB-CG2 4.5Å; E172-V193 HydrophobicContact CG-CG2 4.13Å; L173-V193 HydrophobicContact CB-CG1 4.17Å; I176-V193 HydrophobicContact CD1-CG2 3.93Å; K189-V193 WeakPolarHBondContact O-CG2 3.34Å; K189-V193 PolarHBondContact O-N 3.15Å; I190-V193 PolarHBondContact O-N 3.15Å; V193-K195 VanDerWaalsContact C-N 3.34Å; V193-K195 PolarHBondContact O-N 3.14Å; V193-T196 PolarHBondContact O-N 3.16Å; V193-L197 WeakPolarHBondContact O-CB 3.46Å; V193-L197 PolarHBondContact O-N 3.41Å
194C87.4Confident83.2Confident0 Ų043.7 Ų43.70%021%0.206CC..Hα-helixtrans-63.7-36.3177.7-68.10000113.1A96 Q100 I190 H192 S198A96-C194 HydrophobicContact CB-CB 4.37Å; Q100-C194 HydrophobicContact CG-CB 3.74Å; I190-C194 WeakPolarHBondContact O-CB 3.27Å; I190-C194 PolarHBondContact O-N 3.41Å; I190-C194 PolarHBondContact O-SG 3.32Å; H192-C194 PolarHBondContact O-N 3.44Å; C194-S198 WeakPolarHBondContact O-CB 3.22Å; C194-S198 PolarHBondContact O-N 3.39Å; C194-S198 PolarHBondContact O-OG 3.24Å
195K88.1Confident83Confident111 Ų11139.5 Ų39.548%0.48319%0.191SC..Hα-helixtrans-66.9-51.1176.1-175.2174.7-176.6-74.40110.8L191 H192 V193 L197 S198 E199L191-K195 WeakPolarHBondContact O-CB 3.2Å; L191-K195 PolarHBondContact O-N 3.11Å; H192-K195 PolarHBondContact O-N 2.99Å; V193-K195 VanDerWaalsContact C-N 3.34Å; V193-K195 PolarHBondContact O-N 3.14Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 2.92Å; K195-S198 WeakPolarHBondContact O-CB 3.28Å; K195-S198 PolarHBondContact O-N 2.85Å; K195-S198 VanDerWaalsContact O-N 3.14Å; K195-E199 IonicContact NZ-OE1 3.23Å; K195-E199 PolarHBondContact NZ-OE1 3.17Å; K195-E199 WeakPolarHBondContact O-CG 3.29Å; K195-E199 PolarHBondContact O-N 3.02Å
196T86.3Confident82.6Confident40 Ų4039.7 Ų39.725%0.24520%0.204CC..Hα-helixtrans-61.6-38.7177.5-540000111.8L169 H192 V193 E199 V200L169-T196 HydrophobicContact CD1-CG2 4.03Å; L169-T196 HydrophobicContact CD2-CG2 4.2Å; H192-T196 PolarHBondContact O-N 3.11Å; H192-T196 PolarHBondContact O-OG1 3.39Å; V193-T196 PolarHBondContact O-N 3.16Å; T196-E199 PolarHBondContact O-N 3.02Å; T196-V200 VanDerWaalsContact O-CG2 3.31Å; T196-V200 WeakPolarHBondContact O-CG2 3.45Å; T196-V200 PolarHBondContact O-N 3.47Å
197L86.7Confident81.9Confident1 Ų143.1 Ų43.11%0.00522%0.221CC..Hα-helixtrans-66.2-37.7175.5-170.162.4000112.2L92 L131 V166 L169 V193 K195 V200 C201L92-L197 HydrophobicContact CD1-CD2 4.06Å; L92-L197 HydrophobicContact CD1-CG 4.49Å; L92-L197 HydrophobicContact CD2-CD1 4.09Å; L92-L197 HydrophobicContact CD2-CG 4.36Å; L92-L197 HydrophobicContact CG-CD2 4.42Å; L92-L197 HydrophobicContact CG-CG 4.32Å; L131-L197 HydrophobicContact CD1-CD2 3.92Å; L131-L197 HydrophobicContact CD2-CD2 4.31Å; L131-L197 HydrophobicContact CG-CD2 4.21Å; V166-L197 HydrophobicContact CB-CD1 4.48Å; V166-L197 HydrophobicContact CG1-CD1 4.14Å; V166-L197 HydrophobicContact CG2-CD1 4.03Å; L169-L197 HydrophobicContact CD1-CB 4.29Å; L169-L197 HydrophobicContact CD1-CD1 4.13Å; V193-L197 WeakPolarHBondContact O-CB 3.46Å; V193-L197 PolarHBondContact O-N 3.41Å; K195-L197 VanDerWaalsContact C-N 3.3Å; K195-L197 PolarHBondContact O-N 2.92Å; L197-V200 PolarHBondContact O-N 2.78Å; L197-C201 PolarHBondContact O-N 2.83Å; L197-C201 PolarHBondContact O-SG 2.98Å
198S86.6Confident80.5Confident7 Ų744.1 Ų44.15%0.04923%0.228CC..Hα-helixtrans-64.2-45.5172.4-57.30000111.3A96 Q100 C194 K195 V200 C201 D202A96-S198 WeakPolarHBondContact CB-OG 2.87Å; Q100-S198 PolarHBondContact NE2-OG 3.06Å; C194-S198 WeakPolarHBondContact O-CB 3.22Å; C194-S198 PolarHBondContact O-N 3.39Å; C194-S198 PolarHBondContact O-OG 3.24Å; K195-S198 WeakPolarHBondContact O-CB 3.28Å; K195-S198 PolarHBondContact O-N 2.85Å; K195-S198 VanDerWaalsContact O-N 3.14Å; S198-V200 VanDerWaalsContact C-N 3.33Å; S198-V200 PolarHBondContact O-N 3.41Å; S198-C201 PolarHBondContact O-N 2.99Å; S198-D202 WeakPolarHBondContact O-CB 3.42Å; S198-D202 PolarHBondContact O-N 2.66Å
199E85.1Confident79Confident80 Ų8046.7 Ų46.737%0.37425%0.251SS..Hα-helixtrans-60.5-41.3177.3-71.9166.3175.800111.7K195 T196 D202 Q203K195-E199 IonicContact NZ-OE1 3.23Å; K195-E199 PolarHBondContact NZ-OE1 3.17Å; K195-E199 WeakPolarHBondContact O-CG 3.29Å; K195-E199 PolarHBondContact O-N 3.02Å; T196-E199 PolarHBondContact O-N 3.02Å; E199-D202 PolarHBondContact O-N 3.06Å; E199-Q203 WeakPolarHBondContact O-CB 3.41Å; E199-Q203 WeakPolarHBondContact O-CG 3.16Å; E199-Q203 PolarHBondContact O-N 2.95Å
200V82.3Confident77.6Confident6 Ų646.1 Ų46.14%0.03625%0.251CS..Hα-helixtrans-66.5-39.8174.7171.20000111.9T162 V166 T196 L197 S198 Q203 I204T162-V200 HydrophobicContact CG2-CG1 3.81Å; V166-V200 HydrophobicContact CG2-CG1 3.86Å; T196-V200 VanDerWaalsContact O-CG2 3.31Å; T196-V200 WeakPolarHBondContact O-CG2 3.45Å; T196-V200 PolarHBondContact O-N 3.47Å; L197-V200 PolarHBondContact O-N 2.78Å; S198-V200 VanDerWaalsContact C-N 3.33Å; S198-V200 PolarHBondContact O-N 3.41Å; V200-Q203 PolarHBondContact O-N 2.85Å; V200-I204 HydrophobicContact CG1-CD1 4.47Å; V200-I204 WeakPolarHBondContact O-CG1 3.34Å; V200-I204 PolarHBondContact O-N 3.49Å
201C80.4Confident76.1Confident0 Ų050.4 Ų50.40%028%0.279CS..Hα-helixtrans-64-45.6174-66.70000111.9L92 L197 S198 Q203 I204 I205L92-C201 VanDerWaalsContact CG-SG 3.54Å; L197-C201 PolarHBondContact O-N 2.83Å; L197-C201 PolarHBondContact O-SG 2.98Å; S198-C201 PolarHBondContact O-N 2.99Å; C201-Q203 VanDerWaalsContact C-N 3.26Å; C201-Q203 PolarHBondContact O-N 3.3Å; C201-I204 WeakPolarHBondContact O-CB 3.39Å; C201-I204 PolarHBondContact O-N 3.46Å; C201-I204 VanDerWaalsContact O-N 3.15Å; C201-I205 WeakPolarHBondContact O-CD1 3.33Å; C201-I205 VanDerWaalsContact O-CG1 3.32Å; C201-I205 WeakPolarHBondContact O-CG1 3.41Å; C201-I205 PolarHBondContact O-N 2.65Å
202D80.9Confident74.5Confident65 Ų6549.8 Ų49.835%0.34828%0.275SS..Hα-helixtrans-70.5-26.5-177.4-62.1-9.1000110.3S93 K97 S198 E199 S206S93-D202 PolarHBondContact OG-OD1 3.44Å; K97-D202 IonicContact NZ-OD1 2.82Å; K97-D202 PolarHBondContact NZ-OD1 2.77Å; K97-D202 IonicContact NZ-OD2 2.9Å; K97-D202 PolarHBondContact NZ-OD2 3.41Å; S198-D202 WeakPolarHBondContact O-CB 3.42Å; S198-D202 PolarHBondContact O-N 2.66Å; E199-D202 PolarHBondContact O-N 3.06Å; D202-S206 WeakPolarHBondContact O-CB 3.27Å; D202-S206 PolarHBondContact O-N 3.21Å
203Q77Confident73Confident106 Ų10644 Ų4450%0.49525%0.249SC..Hα-helixtrans-65.5-47.6164.9-76.1165.421.600113E199 V200 C201 I205 S206 L207E199-Q203 WeakPolarHBondContact O-CB 3.41Å; E199-Q203 WeakPolarHBondContact O-CG 3.16Å; E199-Q203 PolarHBondContact O-N 2.95Å; V200-Q203 PolarHBondContact O-N 2.85Å; C201-Q203 VanDerWaalsContact C-N 3.26Å; C201-Q203 PolarHBondContact O-N 3.3Å; Q203-I205 PolarHBondContact O-N 2.9Å; Q203-S206 WeakPolarHBondContact O-CB 3.31Å; Q203-S206 PolarHBondContact O-N 3.4Å; Q203-S206 VanDerWaalsContact O-N 3.08Å; Q203-L207 WeakPolarHBondContact O-CG 3.44Å; Q203-L207 PolarHBondContact O-N 3.24Å
204I73.4Confident71.4Confident1 Ų146.9 Ų46.91%0.00527%0.269CS..Hα-helixtrans-57.6-40.7175.3-63.2161.6000110.4L85 S89 L138 T162 V200 C201 L207 S208L85-I204 HydrophobicContact CD1-CG2 4.34Å; L85-I204 HydrophobicContact CD2-CG2 3.9Å; L85-I204 HydrophobicContact CG-CG2 3.82Å; S89-I204 WeakPolarHBondContact OG-CG2 3.23Å; L138-I204 HydrophobicContact CD2-CD1 4.09Å; T162-I204 HydrophobicContact CG2-CD1 3.59Å; T162-I204 HydrophobicContact CG2-CG1 3.73Å; V200-I204 HydrophobicContact CG1-CD1 4.47Å; V200-I204 WeakPolarHBondContact O-CG1 3.34Å; V200-I204 PolarHBondContact O-N 3.49Å; C201-I204 WeakPolarHBondContact O-CB 3.39Å; C201-I204 PolarHBondContact O-N 3.46Å; C201-I204 VanDerWaalsContact O-N 3.15Å; I204-L207 PolarHBondContact O-N 2.92Å; I204-S208 PolarHBondContact O-N 3.35Å
205I74.2Confident70Confident28 Ų2850 Ų5014%0.14428%0.283CS..Hα-helixtrans-68.8-37.4176.9-64.2156.9000111.1H90 C201 Q203 L207 S208H90-I205 WeakPolarHBondContact ND1-CD1 3.45Å; C201-I205 WeakPolarHBondContact O-CD1 3.33Å; C201-I205 VanDerWaalsContact O-CG1 3.32Å; C201-I205 WeakPolarHBondContact O-CG1 3.41Å; C201-I205 PolarHBondContact O-N 2.65Å; Q203-I205 PolarHBondContact O-N 2.9Å; I205-L207 VanDerWaalsContact C-N 3.28Å; I205-L207 PolarHBondContact O-N 3.04Å; I205-S208 VanDerWaalsContact O-CB 3.23Å; I205-S208 WeakPolarHBondContact O-CB 3.39Å; I205-S208 PolarHBondContact O-N 3.32Å; I205-S208 VanDerWaalsContact O-N 3.15Å; I205-S208 PolarHBondContact O-OG 2.65Å
206S70.3Confident68.6Low101 Ų10147.2 Ų47.271%0.70628%0.278SS*.Hα-helixtrans-66.4-27.1173.6-169.40000113.5D202 Q203 S208D202-S206 WeakPolarHBondContact O-CB 3.27Å; D202-S206 PolarHBondContact O-N 3.21Å; Q203-S206 WeakPolarHBondContact O-CB 3.31Å; Q203-S206 PolarHBondContact O-N 3.4Å; Q203-S206 VanDerWaalsContact O-N 3.08Å; S206-S208 VanDerWaalsContact C-N 3.28Å
207L63.3Low67.5Low76 Ų7646 Ų4640%0.39827%0.272SS..THydrogen-bonded Turntrans-83.92.2174.1-66.1168.9000113Q203 I204 I205 S209Q203-L207 WeakPolarHBondContact O-CG 3.44Å; Q203-L207 PolarHBondContact O-N 3.24Å; I204-L207 PolarHBondContact O-N 2.92Å; I205-L207 VanDerWaalsContact C-N 3.28Å; I205-L207 PolarHBondContact O-N 3.04Å; L207-S209 PolarHBondContact O-N 3.35Å
208S54.7Low66.5Low21 Ų2150 Ų5015%0.14729%0.291CS..THydrogen-bonded Turntrans-7418.1-176.871.50000116K86 I204 I205 S206 D210K86-S208 PolarHBondContact NZ-OG 3.05Å; K86-S208 VanDerWaalsContact NZ-OG 3.15Å; I204-S208 PolarHBondContact O-N 3.35Å; I205-S208 VanDerWaalsContact O-CB 3.23Å; I205-S208 WeakPolarHBondContact O-CB 3.39Å; I205-S208 PolarHBondContact O-N 3.32Å; I205-S208 VanDerWaalsContact O-N 3.15Å; I205-S208 PolarHBondContact O-OG 2.65Å; S206-S208 VanDerWaalsContact C-N 3.28Å; S208-D210 VanDerWaalsContact C-N 3.27Å
209S51.5Low66.1Low114 Ų11451.1 Ų51.180%0.79730%0.296SS*.THydrogen-bonded Turntrans-74.8-14.6168470000113.2L207L207-S209 PolarHBondContact O-N 3.35Å
210D55.7Low65.9Low57 Ų5749.6 Ų49.631%0.30529%0.289SS..SBendtrans-77.5123.1167.2-178.3-8.8000110.6S208 M212 V213S208-D210 VanDerWaalsContact C-N 3.27Å; D210-M212 PolarHBondContact O-N 3.29Å; D210-M212 VanDerWaalsContact O-N 3.07Å; D210-M212 VanDerWaalsContact OD1-CB 3.29Å; D210-M212 WeakPolarHBondContact OD1-CB 3.47Å; D210-M212 VanDerWaalsContact OD1-CG 3.24Å; D210-M212 WeakPolarHBondContact OD1-CG 3.41Å; D210-M212 PolarHBondContact OD1-N 3.1Å; D210-V213 HydrophobicContact CB-CG2 4.23Å; D210-V213 WeakPolarHBondContact O-CB 3.48Å; D210-V213 PolarHBondContact O-N 3.36Å
211P52.9Low65.9Low90 Ų9052 Ų5258%0.58430%0.304SS*.Hα-helixtrans-56.8-21.9175.823.2-34.1000114.2V213 S214 Q215P211-V213 PolarHBondContact O-N 3.3Å; P211-S214 PolarHBondContact O-N 2.86Å; P211-S214 VanDerWaalsContact O-N 3.16Å; P211-Q215 PolarHBondContact O-N 3.46Å; P211-Q215 VanDerWaalsContact O-N 3.09Å
212M54.4Low66Low20 Ų2052 Ų5210%0.09930%0.304CS..Hα-helixtrans-64.2-23.6174.3-61.5-63.893.100113.9F153 D210 S305F153-M212 HydrophobicContact CE1-CB 4.02Å; F153-M212 HydrophobicContact CZ-CB 4.02Å; D210-M212 PolarHBondContact O-N 3.29Å; D210-M212 VanDerWaalsContact O-N 3.07Å; D210-M212 VanDerWaalsContact OD1-CB 3.29Å; D210-M212 WeakPolarHBondContact OD1-CB 3.47Å; D210-M212 VanDerWaalsContact OD1-CG 3.24Å; D210-M212 WeakPolarHBondContact OD1-CG 3.41Å; D210-M212 PolarHBondContact OD1-N 3.1Å; M212-S305 PolarHBondContact SD-N 2.85Å
213V55Low66.1Low0 Ų055.8 Ų55.80%032%0.319CS..Hα-helixtrans-77.8-25.5176.4178.40000111.6L85 Y159 D210 P211L85-V213 HydrophobicContact CB-CG1 4.14Å; L85-V213 HydrophobicContact CD2-CG1 4.14Å; L85-V213 HydrophobicContact CD2-CG2 4.32Å; L85-V213 HydrophobicContact CG-CG1 4.33Å; Y159-V213 WeakPolarHBondContact OH-CG2 3.41Å; D210-V213 HydrophobicContact CB-CG2 4.23Å; D210-V213 WeakPolarHBondContact O-CB 3.48Å; D210-V213 PolarHBondContact O-N 3.36Å; P211-V213 PolarHBondContact O-N 3.3Å
214S54.1Low66.1Low61 Ų6151 Ų5143%0.42730%0.297SS..Hα-helixtrans-98.3-21.3-175.9-62.30000113.8P211 S216P211-S214 PolarHBondContact O-N 2.86Å; P211-S214 VanDerWaalsContact O-N 3.16Å; S214-S216 PolarHBondContact O-N 2.94Å
215Q58Low66Low65 Ų6554.1 Ų54.130%0.30432%0.323SS..PPolyproline II helixtrans-72.8122.2178.8-169.6179.533.400111P211 P303 Q304P211-Q215 PolarHBondContact O-N 3.46Å; P211-Q215 VanDerWaalsContact O-N 3.09Å; Q215-P303 HydrophobicContact CB-CB 3.77Å; Q215-P303 HydrophobicContact CG-CB 3.86Å; Q215-P303 VanDerWaalsContact OE1-CB 3.3Å; Q215-Q304 PolarHBondContact OE1-O 3.44Å
216S58.4Low65.2Low53 Ų5358.3 Ų58.337%0.37135%0.345SS..PPolyproline II helixtrans-72.8155.8170.6470000111.6S214 H218S214-S216 PolarHBondContact O-N 2.94Å; S216-H218 PolarHBondContact O-N 3.44Å
217A62.7Low64.9Low15 Ų1555 Ų5512%0.12432%0.319CS..PPolyproline II helixtrans-64.4132.1165.200000109.1K300 K301A217-K300 HydrophobicContact CB-CD 4.47Å; A217-K300 HydrophobicContact CB-CG 4.03Å; A217-K301 WeakPolarHBondContact CA-O 3.35Å; A217-K301 WeakPolarHBondContact CB-O 3.31Å
218H66.3Low64.6Low85 Ų8556.7 Ų56.739%0.39432%0.323SS..EExtended strand (participates in β ladder)trans-114.9151.8179.961.4-84000111S216 K301S216-H218 PolarHBondContact O-N 3.44Å; H218-K301 VanDerWaalsContact CE1-CB 3.49Å; H218-K301 WeakPolarHBondContact CE1-CB 3.48Å; H218-K301 WeakPolarHBondContact NE2-CG 3.48Å; H218-K301 WeakPolarHBondContact O-CB 3.31Å; H218-K301 PolarHBondContact O-N 2.97Å
219L76.7Confident64.5Low30 Ų3061.8 Ų61.816%0.15736%0.359CS..EExtended strand (participates in β ladder)trans-85.2130.2170.4-64.3-176.5000109.7I4 M5 L80 I269 T298 L299 K300I4-L219 HydrophobicContact CB-CB 4.4Å; I4-L219 HydrophobicContact CB-CD1 4.39Å; I4-L219 HydrophobicContact CD1-CB 4.35Å; I4-L219 HydrophobicContact CG2-CB 3.89Å; I4-L219 HydrophobicContact CG2-CD1 4.2Å; M5-L219 HydrophobicContact CB-CD1 4.09Å; L80-L219 HydrophobicContact CD1-CD1 4.06Å; L80-L219 HydrophobicContact CD2-CD1 4.36Å; L80-L219 HydrophobicContact CD2-CD2 3.62Å; L80-L219 HydrophobicContact CD2-CG 3.95Å; L219-I269 HydrophobicContact CD2-CG1 4.18Å; L219-T298 HydrophobicContact CB-CG2 4.25Å; L219-T298 HydrophobicContact CD1-CG2 4.02Å; L219-T298 HydrophobicContact CD2-CG2 4.17Å; L219-T298 HydrophobicContact CG-CG2 4.38Å; L219-L299 WeakPolarHBondContact CA-O 3.44Å; L219-K300 HydrophobicContact CD2-CB 3.89Å
220E80.7Confident64.6Low47 Ų4761.4 Ų61.422%0.2236%0.363CS..EExtended strand (participates in β ladder)trans-117.3132.2165.1-163.9-168.7173.100109.6V222 K261 L299 K301E220-V222 HydrophobicContact CG-CG2 4.41Å; E220-K261 WeakPolarHBondContact OE1-CD 3.37Å; E220-K261 WeakPolarHBondContact OE1-CE 3.42Å; E220-K261 VanDerWaalsContact OE1-CG 3.26Å; E220-K261 WeakPolarHBondContact OE1-CG 3.41Å; E220-K261 IonicContact OE1-NZ 3.55Å; E220-K261 PolarHBondContact OE1-NZ 2.98Å; E220-L299 PolarHBondContact N-O 2.82Å; E220-L299 PolarHBondContact O-N 3.25Å; E220-K301 HydrophobicContact CB-CD 4.44Å; E220-K301 HydrophobicContact CB-CG 4.05Å; E220-K301 WeakPolarHBondContact OE2-CE 3.29Å; E220-K301 IonicContact OE2-NZ 2.74Å; E220-K301 PolarHBondContact OE2-NZ 2.76Å
221V83.3Confident64.9Low58 Ų5861.5 Ų61.535%0.35236%0.361SS..EExtended strand (participates in β ladder)trans-90.9124.4171-1770000109.4I4 T296 L297 T298I4-V221 HydrophobicContact CG2-CG2 3.6Å; V221-T296 HydrophobicContact CG1-CG2 3.53Å; V221-L297 CarbonylContact C-O 3.53Å; V221-L297 WeakPolarHBondContact CA-O 3.35Å; V221-T298 HydrophobicContact CG2-CG2 4.48Å
222V82.7Confident65.7Low0 Ų059.9 Ų59.90%036%0.361CS..EExtended strand (participates in β ladder)trans-120.1118.5-178.9-173.40000109.3E220 L224 C259 K261 I262 L297 L299E220-V222 HydrophobicContact CG-CG2 4.41Å; V222-L224 HydrophobicContact CG1-CD2 4.15Å; V222-C259 HydrophobicContact CG1-CB 4.42Å; V222-K261 HydrophobicContact CB-CB 4.43Å; V222-K261 HydrophobicContact CG1-CB 3.88Å; V222-K261 HydrophobicContact CG1-CD 4.24Å; V222-K261 HydrophobicContact CG2-CB 3.69Å; V222-K261 HydrophobicContact CG2-CD 4.45Å; V222-I262 HydrophobicContact CG1-CD1 4.09Å; V222-I262 HydrophobicContact CG1-CG1 4.11Å; V222-L297 PolarHBondContact N-O 3.11Å; V222-L297 PolarHBondContact O-N 3.3Å; V222-L299 HydrophobicContact CG2-CD1 4.05Å
223Q82.2Confident66.7Low144 Ų14460 Ų6067%0.67336%0.362SS*.EExtended strand (participates in β ladder)trans-97.4125176.4-69.1177.6-23.800110.3T296Q223-T296 HydrophobicContact CG-CG2 4.03Å
224L78.5Confident67.7Low6 Ų660.8 Ų60.83%0.03137%0.37CS..EExtended strand (participates in β ladder)trans-111.884.8177.3-59.6-179.9000108.8V222 L233 M235 C259 I262 G294 V295 L297V222-L224 HydrophobicContact CG1-CD2 4.15Å; L224-L233 HydrophobicContact CB-CD2 4.37Å; L224-L233 HydrophobicContact CD1-CD2 4.03Å; L224-M235 HydrophobicContact CD1-SD 3.97Å; L224-C259 HydrophobicContact CD2-CB 3.79Å; L224-I262 HydrophobicContact CD1-CD1 4.05Å; L224-I262 HydrophobicContact CD2-CD1 4.24Å; L224-G294 WeakPolarHBondContact O-CA 3.37Å; L224-V295 PolarHBondContact N-O 2.83Å; L224-V295 PolarHBondContact O-N 3.42Å; L224-L297 HydrophobicContact CD1-CD1 3.94Å
225A69.9Low69.1Low66 Ų6659.3 Ų59.355%0.54536%0.357SS..EExtended strand (participates in β ladder)trans-80.6163.3176.800000112.4
226N58.8Low70.2Confident116 Ų11661.7 Ų61.762%0.6236%0.364SS*.  trans61.958.1174.6-165.3-1.9000113.6K228N226-K228 PolarHBondContact O-N 2.78Å
227I63.3Low71.5Confident30 Ų3060.5 Ų60.515%0.15435%0.353CS..  trans-80.997.9175.7-57.9168.9000108.9L233 L255 V295I227-L233 HydrophobicContact CD1-CD2 3.83Å; I227-L233 HydrophobicContact CG1-CD2 3.92Å; I227-L255 HydrophobicContact CB-CD1 4.46Å; I227-L255 HydrophobicContact CG1-CD1 4.06Å; I227-V295 HydrophobicContact CD1-CB 3.96Å; I227-V295 HydrophobicContact CD1-CG2 3.54Å
228K56.2Low72.4Confident112 Ų11264 Ų6449%0.48737%0.365SS..  trans-71.7130.6169.5-55.5178.5-162.3147.50109N226 A230 E231N226-K228 PolarHBondContact O-N 2.78Å; K228-A230 PolarHBondContact O-N 3.39Å; K228-E231 HydrophobicContact CB-CB 4.05Å; K228-E231 IonicContact NZ-OE2 2.88Å; K228-E231 PolarHBondContact NZ-OE2 3.09Å; K228-E231 CarbonylContact O-C 3.52Å; K228-E231 PolarHBondContact O-N 3.28Å
229S53.5Low73.2Confident128 Ų12861.2 Ų61.290%0.89536%0.355SS*.THydrogen-bonded Turntrans-58.5-20.2-176.9-37.30000114.9
230A52.5Low73.2Confident107 Ų10761.9 Ų61.988%0.88436%0.36SS*.THydrogen-bonded Turntrans-93.7-14.7175.300000114.4K228K228-A230 PolarHBondContact O-N 3.39Å
231E63.6Low72.6Confident58 Ų5869.9 Ų69.927%0.27139%0.39SS..SBendtrans-116.975.1-174.8-163.5-170.3147.200108.9K228 R258K228-E231 HydrophobicContact CB-CB 4.05Å; K228-E231 IonicContact NZ-OE2 2.88Å; K228-E231 PolarHBondContact NZ-OE2 3.09Å; K228-E231 CarbonylContact O-C 3.52Å; K228-E231 PolarHBondContact O-N 3.28Å; E231-R258 IonicContact OE1-CZ 3.03Å; E231-R258 IonicContact OE1-NH1 3.21Å; E231-R258 PolarHBondContact OE1-NH1 3.19Å; E231-R258 IonicContact OE1-NH2 2.61Å; E231-R258 PolarHBondContact OE1-NH2 2.67Å
232G68.7Low71.7Confident56 Ų5668.8 Ų68.858%0.57738%0.382SS*.  trans-57154.4-176.100000113.6G234G232-G234 PolarHBondContact O-N 2.86Å
233L75.1Confident71.4Confident24 Ų2469 Ų6913%0.12639%0.385CS..  trans-46.4-24.7-169.6-66.9170000116.6L224 I227 M235 L255 A256 L288L224-L233 HydrophobicContact CB-CD2 4.37Å; L224-L233 HydrophobicContact CD1-CD2 4.03Å; I227-L233 HydrophobicContact CD1-CD2 3.83Å; I227-L233 HydrophobicContact CG1-CD2 3.92Å; L233-M235 HydrophobicContact CB-CG 4.45Å; L233-L255 HydrophobicContact CD2-CD1 4.36Å; L233-A256 VanDerWaalsContact O-CB 3.3Å; L233-A256 WeakPolarHBondContact O-CB 3.43Å; L233-A256 PolarHBondContact O-N 3.13Å; L233-L288 HydrophobicContact CD1-CB 4.12Å; L233-L288 HydrophobicContact CD1-CD2 4.3Å
234G76.8Confident71.3Confident15 Ų1563.9 Ų63.916%0.15536%0.362CS..  trans76.624.617600000114.5G232 T250 T251G232-G234 PolarHBondContact O-N 2.86Å; G234-T250 CarbonylContact O-C 3.56Å; G234-T250 VanDerWaalsContact O-CA 3.31Å; G234-T250 WeakPolarHBondContact O-CA 3.37Å; G234-T251 PolarHBondContact O-N 2.7Å; G234-T251 PolarHBondContact O-OG1 2.96Å
235M83.2Confident71.6Confident30 Ų3063.8 Ų63.815%0.14836%0.361CS..EExtended strand (participates in β ladder)trans-106.1128.9179.5-62175.462.900111L224 L233 I237 I247 A256 I262 L297L224-M235 HydrophobicContact CD1-SD 3.97Å; L233-M235 HydrophobicContact CB-CG 4.45Å; M235-I237 HydrophobicContact CB-CG1 4.41Å; M235-I237 HydrophobicContact CE-CD1 4.48Å; M235-I237 PolarHBondContact O-N 2.91Å; M235-I247 HydrophobicContact CE-CD1 3.41Å; M235-I247 VanDerWaalsContact CE-CD1 3.41Å; M235-I247 HydrophobicContact CE-CG1 3.75Å; M235-A256 HydrophobicContact CG-CB 3.24Å; M235-A256 HydrophobicContact SD-CB 3.95Å; M235-I262 HydrophobicContact CE-CD1 4.09Å; M235-I262 HydrophobicContact CE-CG2 4.31Å; M235-I262 HydrophobicContact SD-CD1 4Å; M235-L297 HydrophobicContact CE-CD1 3.69Å; M235-L297 HydrophobicContact SD-CD1 3.81Å
236Y80.6Confident72.2Confident115 Ų11561.4 Ų61.445%0.45134%0.34SS..EExtended strand (participates in β ladder)trans-95.887.7173.8-62.3-81.5000109.9T248 G249 T251 L314Y236-T248 WeakPolarHBondContact CB-OG1 3.45Å; Y236-T248 WeakPolarHBondContact O-CB 3.28Å; Y236-T248 PolarHBondContact O-N 3.15Å; Y236-T248 PolarHBondContact O-OG1 3.07Å; Y236-G249 PolarHBondContact N-O 2.98Å; Y236-G249 VanDerWaalsContact N-O 3.08Å; Y236-T251 WeakPolarHBondContact CE2-OG1 3.28Å; Y236-T251 PolarHBondContact OH-OG1 3.44Å; Y236-T251 VanDerWaalsContact OH-OG1 3.08Å; Y236-L314 HydrophobicContact CD2-CD1 3.52Å; Y236-L314 HydrophobicContact CE2-CD1 3.74Å; Y236-L314 HydrophobicContact CG-CD1 4.17Å
237I85.5Confident73.5Confident29 Ų2955.9 Ų55.915%0.14931%0.31CS..EExtended strand (participates in β ladder)trans-83.5130.6175.9-54.9175.6000109.3M235 H245 I247 V268 L281 L284 L288M235-I237 HydrophobicContact CB-CG1 4.41Å; M235-I237 HydrophobicContact CE-CD1 4.48Å; M235-I237 PolarHBondContact O-N 2.91Å; I237-H245 HydrophobicContact CG2-CB 4.14Å; I237-I247 HydrophobicContact CG1-CG1 4.29Å; I237-V268 HydrophobicContact CD1-CG2 4.39Å; I237-L281 HydrophobicContact CB-CD1 4.4Å; I237-L281 HydrophobicContact CG2-CD1 4.08Å; I237-L284 HydrophobicContact CD1-CD2 3.93Å; I237-L284 HydrophobicContact CG2-CD2 4.02Å; I237-L288 HydrophobicContact CD1-CD1 3.61Å
238K83Confident74.2Confident89 Ų8956.4 Ų56.439%0.38732%0.315SS..EExtended strand (participates in β ladder)trans-117.5123.4166172.4173.1151.6-156.10109.1F148 V246 T248F148-K238 HydrophobicContact CE1-CD 3.78Å; F148-K238 HydrophobicContact CZ-CB 4.28Å; F148-K238 HydrophobicContact CZ-CD 3.63Å; F148-K238 HydrophobicContact CZ-CG 4.15Å; K238-V246 PolarHBondContact N-O 3.41Å; K238-V246 PolarHBondContact O-N 2.89Å; K238-T248 HydrophobicContact CB-CG2 3.74Å
239S81.9Confident75.2Confident26 Ų2651.1 Ų51.118%0.18229%0.292CS..EExtended strand (participates in β ladder)trans-78151.1167.5-52.90000111.7L244 H245 L281S239-L244 CarbonylContact C-O 3.59Å; S239-L244 VanDerWaalsContact CA-O 3.26Å; S239-L244 WeakPolarHBondContact CA-O 3.07Å; S239-H245 PolarHBondContact OG-CE1 2.81Å; S239-H245 VanDerWaalsContact OG-CE1 3.3Å; S239-H245 PolarHBondContact OG-ND1 3.48Å; S239-L281 WeakPolarHBondContact OG-CB 3.28Å
240T77.4Confident76.6Confident43 Ų4345 Ų4526%0.26425%0.25SC..  trans-77.5-179.8153.660.40000110.1D242 L244T240-D242 WeakPolarHBondContact CB-OD1 3.2Å; T240-D242 PolarHBondContact OG1-OD1 3.28Å; T240-D242 PolarHBondContact OG1-OD2 3.12Å; T240-L244 HydrophobicContact CG2-CB 4.28Å; T240-L244 PolarHBondContact N-O 3.29Å; T240-L244 WeakPolarHBondContact OG1-CB 3.4Å; T240-L244 PolarHBondContact OG1-N 3.31Å; T240-L244 PolarHBondContact OG1-O 3.48Å
241Y67.9Low77.9Confident216 Ų21642.5 Ų42.585%0.84722%0.223SC*.SBendtrans-79.3-31.9178.853.5-94.5000111.9G243Y241-G243 VanDerWaalsContact C-N 3.25Å; Y241-G243 PolarHBondContact O-N 2.93Å
242D64.7Low78.5Confident34 Ų3445 Ų4518%0.18224%0.235CC..SBendtrans-70.7-9.1173.646.2-72.5000114.2L72 T240 L244L72-D242 HydrophobicContact CD1-CB 4.38Å; L72-D242 WeakPolarHBondContact CD1-O 3.49Å; T240-D242 WeakPolarHBondContact CB-OD1 3.2Å; T240-D242 PolarHBondContact OG1-OD1 3.28Å; T240-D242 PolarHBondContact OG1-OD2 3.12Å; D242-L244 WeakPolarHBondContact OD2-CG 3.4Å
243G75.5Confident78.4Confident6 Ų644.2 Ų44.26%0.06223%0.227CC..SBendtrans89.721.8176.100000115.5Y241 G278Y241-G243 VanDerWaalsContact C-N 3.25Å; Y241-G243 PolarHBondContact O-N 2.93Å; G243-G278 PolarHBondContact O-N 3.24Å
244L81.2Confident78.6Confident36 Ų3643.6 Ų43.619%0.18823%0.225CC..  trans-80.2129.9162.4-69.2173.3000110.6L72 S239 T240 D242L72-L244 HydrophobicContact CD1-CD2 3.94Å; L72-L244 HydrophobicContact CD1-CG 3.78Å; L72-L244 HydrophobicContact CD2-CD1 4.08Å; L72-L244 HydrophobicContact CD2-CD2 4.03Å; L72-L244 HydrophobicContact CD2-CG 3.95Å; L72-L244 HydrophobicContact CG-CD2 4.48Å; S239-L244 CarbonylContact C-O 3.59Å; S239-L244 VanDerWaalsContact CA-O 3.26Å; S239-L244 WeakPolarHBondContact CA-O 3.07Å; T240-L244 HydrophobicContact CG2-CB 4.28Å; T240-L244 PolarHBondContact N-O 3.29Å; T240-L244 WeakPolarHBondContact OG1-CB 3.4Å; T240-L244 PolarHBondContact OG1-N 3.31Å; T240-L244 PolarHBondContact OG1-O 3.48Å; D242-L244 WeakPolarHBondContact OD2-CG 3.4Å
245H84.1Confident78.5Confident3 Ų343.8 Ų43.81%0.01422%0.222CC..EExtended strand (participates in β ladder)trans-105.2106.8-176-62.4-48.6000111.5I237 S239 E267 V268 V276 W279 L284I237-H245 HydrophobicContact CG2-CB 4.14Å; S239-H245 PolarHBondContact OG-CE1 2.81Å; S239-H245 VanDerWaalsContact OG-CE1 3.3Å; S239-H245 PolarHBondContact OG-ND1 3.48Å; H245-E267 WeakPolarHBondContact O-CA 3.4Å; H245-V268 HydrophobicContact CB-CB 4.02Å; H245-V268 HydrophobicContact CB-CG2 4.38Å; H245-V268 PolarHBondContact O-N 3.08Å; H245-V276 PolarHBondContact CD2-O 2.95Å; H245-V276 VanDerWaalsContact CD2-O 3.27Å; H245-V276 PolarHBondContact NE2-O 3.32Å; H245-W279 PolarHBondContact CE1-O 3.16Å; H245-W279 PolarHBondContact NE2-O 3.41Å; H245-L284 HydrophobicContact CB-CD2 4.03Å
246V83.4Confident78.3Confident16 Ų1642.3 Ų42.310%0.09722%0.215CC..EExtended strand (participates in β ladder)trans-109.4130.3-177.6-175.40000111F148 K238 E267F148-V246 HydrophobicContact CD2-CG1 4.43Å; F148-V246 HydrophobicContact CE2-CB 4.29Å; F148-V246 HydrophobicContact CE2-CG1 4.17Å; K238-V246 PolarHBondContact N-O 3.41Å; K238-V246 PolarHBondContact O-N 2.89Å; V246-E267 HydrophobicContact CG2-CG 4.25Å
247I85Confident78.3Confident0 Ų037.9 Ų37.90%020%0.199CC..EExtended strand (participates in β ladder)trans-76.4126173.7-63.6159.5000108.5M235 I237 I262 A264 G265 D266 V268 L299M235-I247 HydrophobicContact CE-CD1 3.41Å; M235-I247 VanDerWaalsContact CE-CD1 3.41Å; M235-I247 HydrophobicContact CE-CG1 3.75Å; I237-I247 HydrophobicContact CG1-CG1 4.29Å; I247-I262 HydrophobicContact CD1-CG2 4.04Å; I247-I262 HydrophobicContact CG2-CG2 3.94Å; I247-A264 CarbonylContact O-C 3.55Å; I247-A264 WeakPolarHBondContact O-CA 3.34Å; I247-G265 PolarHBondContact O-N 3.44Å; I247-D266 HydrophobicContact CD1-CB 4.1Å; I247-D266 PolarHBondContact N-O 3.45Å; I247-V268 HydrophobicContact CD1-CG2 3.81Å; I247-V268 HydrophobicContact CG1-CG2 3.84Å; I247-L299 HydrophobicContact CD1-CD1 3.97Å; I247-L299 HydrophobicContact CD1-CD2 3.81Å
248T79Confident77.8Confident42 Ų4242.5 Ų42.526%0.25821%0.214SC..EExtended strand (participates in β ladder)trans-104.9-9.8-174.963.40000114.1F148 Y236 K238 A264F148-T248 HydrophobicContact CD1-CG2 4.06Å; F148-T248 HydrophobicContact CE1-CG2 3.51Å; F148-T248 HydrophobicContact CZ-CG2 3.83Å; Y236-T248 WeakPolarHBondContact CB-OG1 3.45Å; Y236-T248 WeakPolarHBondContact O-CB 3.28Å; Y236-T248 PolarHBondContact O-N 3.15Å; Y236-T248 PolarHBondContact O-OG1 3.07Å; K238-T248 HydrophobicContact CB-CG2 3.74Å; T248-A264 WeakPolarHBondContact O-CB 3.32Å
249G76.9Confident77.4Confident0 Ų039.9 Ų39.90%021%0.207CC..EExtended strand (participates in β ladder)trans166.5171.7175.900000112.2Y236Y236-G249 PolarHBondContact N-O 2.98Å; Y236-G249 VanDerWaalsContact N-O 3.08Å
250T82.6Confident77Confident1 Ų146.1 Ų46.11%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-117.9149.7173.550.40000110.9G234 A256 D257 I262 A312G234-T250 CarbonylContact O-C 3.56Å; G234-T250 VanDerWaalsContact O-CA 3.31Å; G234-T250 WeakPolarHBondContact O-CA 3.37Å; T250-A256 HydrophobicContact CG2-CB 3.93Å; T250-D257 PolarHBondContact OG1-OD1 3.07Å; T250-I262 HydrophobicContact CG2-CB 4.39Å; T250-I262 HydrophobicContact CG2-CG2 3.86Å; T250-A312 PolarHBondContact N-O 2.86Å
251T80.7Confident76.9Confident53 Ų5348.5 Ų48.533%0.32524%0.237SC..  trans-78.8127.5169.8-520000109.3G234 Y236 G253 S254 D257G234-T251 PolarHBondContact O-N 2.7Å; G234-T251 PolarHBondContact O-OG1 2.96Å; Y236-T251 WeakPolarHBondContact CE2-OG1 3.28Å; Y236-T251 PolarHBondContact OH-OG1 3.44Å; Y236-T251 VanDerWaalsContact OH-OG1 3.08Å; T251-G253 PolarHBondContact O-N 3.1Å; T251-S254 VanDerWaalsContact O-CB 3.26Å; T251-S254 WeakPolarHBondContact O-CB 3.45Å; T251-S254 PolarHBondContact O-N 3.22Å; T251-S254 PolarHBondContact O-OG 3.43Å; T251-D257 VanDerWaalsContact O-CB 3.27Å; T251-D257 WeakPolarHBondContact O-CB 3.21Å
252E74.8Confident77.5Confident112 Ų11238.3 Ų38.352%0.52320%0.197SC..THydrogen-bonded Turntrans-52.4125.2179.7-173.5158.2-162.900111.3S254 L313 K315E252-S254 VanDerWaalsContact C-N 3.34Å; E252-S254 PolarHBondContact O-N 3.14Å; E252-L313 HydrophobicContact CB-CD2 3.78Å; E252-L313 HydrophobicContact CG-CD2 3.87Å; E252-K315 VanDerWaalsContact OE1-CE 3.3Å; E252-K315 WeakPolarHBondContact OE1-CE 3.37Å; E252-K315 IonicContact OE1-NZ 2.76Å; E252-K315 PolarHBondContact OE1-NZ 3.38Å; E252-K315 WeakPolarHBondContact OE2-CE 3.2Å; E252-K315 IonicContact OE2-NZ 3.98Å; E252-K315 PolarHBondContact OE2-NZ 2.96Å
253G68Low78Confident39 Ų3938.1 Ų38.140%0.40220%0.196SC..THydrogen-bonded Turntrans80.2-3.8-179.800000116.8T251 D257 R258T251-G253 PolarHBondContact O-N 3.1Å; G253-D257 PolarHBondContact N-OD2 3.23Å; G253-R258 WeakPolarHBondContact O-CG 3.37Å; G253-R258 PolarHBondContact O-NH1 3.01Å
254S78.1Confident78Confident11 Ų1139.5 Ų39.58%0.07721%0.206CC..SBendtrans-71.1170.6177.766.70000114.1T251 E252 A256 D257 R258T251-S254 VanDerWaalsContact O-CB 3.26Å; T251-S254 WeakPolarHBondContact O-CB 3.45Å; T251-S254 PolarHBondContact O-N 3.22Å; T251-S254 PolarHBondContact O-OG 3.43Å; E252-S254 VanDerWaalsContact C-N 3.34Å; E252-S254 PolarHBondContact O-N 3.14Å; S254-A256 VanDerWaalsContact C-N 3.32Å; S254-A256 PolarHBondContact O-N 3.45Å; S254-D257 PolarHBondContact O-N 3.36Å; S254-D257 VanDerWaalsContact O-N 3.08Å; S254-D257 PolarHBondContact OG-N 2.88Å; S254-R258 WeakPolarHBondContact O-CB 3.26Å; S254-R258 VanDerWaalsContact O-CG 3.26Å; S254-R258 WeakPolarHBondContact O-CG 3.41Å; S254-R258 PolarHBondContact O-N 3.32Å
255L75.7Confident77.5Confident18 Ų1838 Ų389%0.09420%0.199CC..Hα-helixtrans-52.5-46.1176.3-75.4168.6000113.1I227 L233 D257 R258 C259I227-L255 HydrophobicContact CB-CD1 4.46Å; I227-L255 HydrophobicContact CG1-CD1 4.06Å; L233-L255 HydrophobicContact CD2-CD1 4.36Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-D257 PolarHBondContact O-N 2.82Å; L255-R258 PolarHBondContact O-N 3.34Å; L255-C259 PolarHBondContact O-N 3.01Å; L255-C259 VanDerWaalsContact O-N 3.08Å
256A79.1Confident77.3Confident0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-69.9-25.4179.300000113.9L233 M235 T250 S254 C259 I262L233-A256 VanDerWaalsContact O-CB 3.3Å; L233-A256 WeakPolarHBondContact O-CB 3.43Å; L233-A256 PolarHBondContact O-N 3.13Å; M235-A256 HydrophobicContact CG-CB 3.24Å; M235-A256 HydrophobicContact SD-CB 3.95Å; T250-A256 HydrophobicContact CG2-CB 3.93Å; S254-A256 VanDerWaalsContact C-N 3.32Å; S254-A256 PolarHBondContact O-N 3.45Å; A256-C259 PolarHBondContact O-SG 3.39Å; A256-I262 HydrophobicContact CB-CD1 3.86Å
257D79.1Confident77.2Confident22 Ų2237.9 Ų37.912%0.11820%0.198CC..Hα-helixtrans-80.9-44.1173.4-169.354.9000111.6T250 T251 G253 S254 L255 C259 K260 L313T250-D257 PolarHBondContact OG1-OD1 3.07Å; T251-D257 VanDerWaalsContact O-CB 3.27Å; T251-D257 WeakPolarHBondContact O-CB 3.21Å; G253-D257 PolarHBondContact N-OD2 3.23Å; S254-D257 PolarHBondContact O-N 3.36Å; S254-D257 VanDerWaalsContact O-N 3.08Å; S254-D257 PolarHBondContact OG-N 2.88Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-D257 PolarHBondContact O-N 2.82Å; D257-C259 PolarHBondContact O-N 3.46Å; D257-K260 WeakPolarHBondContact O-CG 3.44Å; D257-K260 PolarHBondContact O-N 2.82Å; D257-L313 WeakPolarHBondContact OD1-CD2 3.26Å; D257-L313 WeakPolarHBondContact OD2-CD2 3.2Å
258R76.6Confident77.3Confident125 Ų12538 Ų3847%0.47220%0.199SC..Hα-helixtrans-56.5-33.9175.2-72-171.7-62.3-116.815.6112.4E231 G253 S254 L255 K260E231-R258 IonicContact OE1-CZ 3.03Å; E231-R258 IonicContact OE1-NH1 3.21Å; E231-R258 PolarHBondContact OE1-NH1 3.19Å; E231-R258 IonicContact OE1-NH2 2.61Å; E231-R258 PolarHBondContact OE1-NH2 2.67Å; G253-R258 WeakPolarHBondContact O-CG 3.37Å; G253-R258 PolarHBondContact O-NH1 3.01Å; S254-R258 WeakPolarHBondContact O-CB 3.26Å; S254-R258 VanDerWaalsContact O-CG 3.26Å; S254-R258 WeakPolarHBondContact O-CG 3.41Å; S254-R258 PolarHBondContact O-N 3.32Å; L255-R258 PolarHBondContact O-N 3.34Å; R258-K260 VanDerWaalsContact C-N 3.3Å; R258-K260 PolarHBondContact O-N 3.12Å
259C73.5Confident77.6Confident34 Ų3436.1 Ų36.123%0.2319%0.187CC..THydrogen-bonded Turntrans-71-21.817886.10000113.9V222 L224 L255 A256 D257 K261V222-C259 HydrophobicContact CG1-CB 4.42Å; L224-C259 HydrophobicContact CD2-CB 3.79Å; L255-C259 PolarHBondContact O-N 3.01Å; L255-C259 VanDerWaalsContact O-N 3.08Å; A256-C259 PolarHBondContact O-SG 3.39Å; D257-C259 PolarHBondContact O-N 3.46Å; C259-K261 WeakPolarHBondContact O-CG 3.46Å; C259-K261 PolarHBondContact O-N 2.93Å; C259-K261 PolarHBondContact SG-N 3.13Å
260K73.9Confident78Confident157 Ų15736.8 Ų36.868%0.68319%0.19SC*.  trans52.70.1-175.5-61.9-176.1180178.80117.2D257 R258 I262 H263D257-K260 WeakPolarHBondContact O-CG 3.44Å; D257-K260 PolarHBondContact O-N 2.82Å; R258-K260 VanDerWaalsContact C-N 3.3Å; R258-K260 PolarHBondContact O-N 3.12Å; K260-I262 VanDerWaalsContact C-N 3.35Å; K260-H263 PolarHBondContact O-CE1 3.26Å
261K76.1Confident78.2Confident94 Ų9436.8 Ų36.841%0.40919%0.19SC..  trans-91.912.5177.9-68.3165.3156-95.80112.8E220 V222 C259 K301E220-K261 WeakPolarHBondContact OE1-CD 3.37Å; E220-K261 WeakPolarHBondContact OE1-CE 3.42Å; E220-K261 VanDerWaalsContact OE1-CG 3.26Å; E220-K261 WeakPolarHBondContact OE1-CG 3.41Å; E220-K261 IonicContact OE1-NZ 3.55Å; E220-K261 PolarHBondContact OE1-NZ 2.98Å; V222-K261 HydrophobicContact CB-CB 4.43Å; V222-K261 HydrophobicContact CG1-CB 3.88Å; V222-K261 HydrophobicContact CG1-CD 4.24Å; V222-K261 HydrophobicContact CG2-CB 3.69Å; V222-K261 HydrophobicContact CG2-CD 4.45Å; C259-K261 WeakPolarHBondContact O-CG 3.46Å; C259-K261 PolarHBondContact O-N 2.93Å; C259-K261 PolarHBondContact SG-N 3.13Å; K261-K301 PolarHBondContact O-NZ 3.49Å
262I80.3Confident78.4Confident1 Ų136.1 Ų36.11%0.00518%0.184CC..  trans-128.2122.6-176.2-65.9178.3000109.4V222 L224 M235 I247 T250 A256 K260 L297 L299V222-I262 HydrophobicContact CG1-CD1 4.09Å; V222-I262 HydrophobicContact CG1-CG1 4.11Å; L224-I262 HydrophobicContact CD1-CD1 4.05Å; L224-I262 HydrophobicContact CD2-CD1 4.24Å; M235-I262 HydrophobicContact CE-CD1 4.09Å; M235-I262 HydrophobicContact CE-CG2 4.31Å; M235-I262 HydrophobicContact SD-CD1 4Å; I247-I262 HydrophobicContact CD1-CG2 4.04Å; I247-I262 HydrophobicContact CG2-CG2 3.94Å; T250-I262 HydrophobicContact CG2-CB 4.39Å; T250-I262 HydrophobicContact CG2-CG2 3.86Å; A256-I262 HydrophobicContact CB-CD1 3.86Å; K260-I262 VanDerWaalsContact C-N 3.35Å; I262-L297 HydrophobicContact CD1-CD1 4.14Å; I262-L299 HydrophobicContact CD1-CD1 4.44Å; I262-L299 HydrophobicContact CG1-CD1 3.85Å
263H73.6Confident78.7Confident31 Ų3137.7 Ų37.714%0.14419%0.191CC..  trans-123.9152.3-176.8-61.192.6000111.2K260 G265 D266K260-H263 PolarHBondContact O-CE1 3.26Å; H263-G265 PolarHBondContact O-N 3.43Å; H263-D266 PolarHBondContact N-OD2 3.34Å; H263-D266 PolarHBondContact O-N 3.17Å
264A76.2Confident79.5Confident35 Ų3537.8 Ų37.829%0.28918%0.181SC..THydrogen-bonded Turntrans-67.4122.917100000109.8I247 T248 A312I247-A264 CarbonylContact O-C 3.55Å; I247-A264 WeakPolarHBondContact O-CA 3.34Å; T248-A264 WeakPolarHBondContact O-CB 3.32Å; A264-A312 HydrophobicContact CB-CB 3.27Å
265G70.3Confident79.9Confident4 Ų437.5 Ų37.54%0.04118%0.179CC..THydrogen-bonded Turntrans113-9.2-17500000115.1I247 H263 R302I247-G265 PolarHBondContact O-N 3.44Å; H263-G265 PolarHBondContact O-N 3.43Å; G265-R302 VanDerWaalsContact CA-NE 3.33Å; G265-R302 PolarHBondContact O-NE 3.47Å
266D79.5Confident80.4Confident1 Ų136.7 Ų36.71%0.00518%0.175CC..  trans-70.7135.1175.8-67.9-20.8000111I247 H263 L299 K301I247-D266 HydrophobicContact CD1-CB 4.1Å; I247-D266 PolarHBondContact N-O 3.45Å; H263-D266 PolarHBondContact N-OD2 3.34Å; H263-D266 PolarHBondContact O-N 3.17Å; D266-L299 HydrophobicContact CB-CD1 4.48Å; D266-K301 VanDerWaalsContact OD1-CD 3.26Å; D266-K301 WeakPolarHBondContact OD1-CD 3.5Å; D266-K301 IonicContact OD1-NZ 2.76Å; D266-K301 IonicContact OD2-NZ 3.78Å; D266-K301 PolarHBondContact OD2-NZ 3.46Å
267E83Confident80.7Confident15 Ų1536.9 Ų36.97%0.0718%0.176CC..EExtended strand (participates in β ladder)trans-88.3127.9175.2-87.2163.8-133.700109.8R144 H245 V246 I269 L299 K300R144-E267 VanDerWaalsContact CD-OE1 3.29Å; R144-E267 WeakPolarHBondContact CD-OE1 3.4Å; R144-E267 VanDerWaalsContact CG-OE1 3.28Å; R144-E267 WeakPolarHBondContact CG-OE1 3.3Å; R144-E267 IonicContact CZ-OE1 2.65Å; R144-E267 IonicContact CZ-OE2 3.2Å; R144-E267 IonicContact NE-OE1 2.65Å; R144-E267 PolarHBondContact NE-OE1 3.06Å; R144-E267 IonicContact NE-OE2 2.7Å; R144-E267 PolarHBondContact NE-OE2 2.96Å; R144-E267 IonicContact NH2-OE1 3.41Å; R144-E267 IonicContact NH2-OE2 3.76Å; R144-E267 PolarHBondContact NH2-OE2 2.97Å; H245-E267 WeakPolarHBondContact O-CA 3.4Å; V246-E267 HydrophobicContact CG2-CG 4.25Å; E267-I269 HydrophobicContact CB-CD1 4.05Å; E267-L299 CarbonylContact O-C 3.42Å; E267-L299 WeakPolarHBondContact O-CA 3.32Å; E267-K300 HydrophobicContact CB-CB 4.02Å; E267-K300 PolarHBondContact N-O 3.18Å; E267-K300 VanDerWaalsContact N-O 3.09Å; E267-K300 PolarHBondContact O-N 3.07Å
268V86Confident80.9Confident3 Ų336.4 Ų36.42%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-82.8114.8174.3-170.20000109.1I237 H245 I247 V271 V276 L284 L299I237-V268 HydrophobicContact CD1-CG2 4.39Å; H245-V268 HydrophobicContact CB-CB 4.02Å; H245-V268 HydrophobicContact CB-CG2 4.38Å; H245-V268 PolarHBondContact O-N 3.08Å; I247-V268 HydrophobicContact CD1-CG2 3.81Å; I247-V268 HydrophobicContact CG1-CG2 3.84Å; V268-V271 HydrophobicContact CG1-CG2 4.01Å; V268-V276 HydrophobicContact CG1-CG2 4.05Å; V268-L284 HydrophobicContact CG1-CD1 4.47Å; V268-L299 HydrophobicContact CB-CD2 4.16Å; V268-L299 HydrophobicContact CG1-CD2 4.18Å; V268-L299 HydrophobicContact CG2-CD2 3.87Å
269I85.4Confident81.5Confident3 Ų331.4 Ų31.42%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-100.7-44.3-177.1-55-48.6000111.4M5 L76 L219 E267 V276 V277 T298 K300M5-I269 HydrophobicContact SD-CG2 3.91Å; L76-I269 HydrophobicContact CD1-CB 4.5Å; L76-I269 HydrophobicContact CD1-CD1 3.85Å; L76-I269 HydrophobicContact CD1-CG1 4.15Å; L76-I269 HydrophobicContact CD1-CG2 3.55Å; L76-I269 HydrophobicContact CD2-CG2 3.62Å; L76-I269 HydrophobicContact CG-CG2 4.19Å; L219-I269 HydrophobicContact CD2-CG1 4.18Å; E267-I269 HydrophobicContact CB-CD1 4.05Å; I269-V276 WeakPolarHBondContact O-CG2 3.43Å; I269-V276 PolarHBondContact O-N 3.43Å; I269-V277 HydrophobicContact CD1-CG2 4.1Å; I269-V277 HydrophobicContact CG2-CG2 4.1Å; I269-T298 WeakPolarHBondContact CB-O 3.44Å; I269-T298 PolarHBondContact N-O 3.46Å; I269-K300 HydrophobicContact CD1-CB 3.81Å; I269-K300 HydrophobicContact CD1-CD 4.33Å; I269-K300 HydrophobicContact CG1-CB 3.59Å
270Q86.5Confident82.1Confident14 Ų1432.9 Ų32.97%0.06516%0.161CC..EExtended strand (participates in β ladder)trans-137.5153.1178.4-44.9-172.5-70.600112M5 H273 Q274 T275 L297 T298M5-Q270 HydrophobicContact SD-CG 4.05Å; Q270-H273 PolarHBondContact NE2-O 3.24Å; Q270-Q274 CarbonylContact C-O 3.53Å; Q270-Q274 WeakPolarHBondContact CA-O 3.42Å; Q270-Q274 VanDerWaalsContact CB-O 3.31Å; Q270-Q274 WeakPolarHBondContact CB-O 3.48Å; Q270-T275 PolarHBondContact NE2-OG1 3.22Å; Q270-L297 WeakPolarHBondContact O-CA 3.42Å; Q270-T298 HydrophobicContact CG-CG2 4.44Å; Q270-T298 PolarHBondContact N-O 2.97Å; Q270-T298 PolarHBondContact O-N 3.31Å; Q270-T298 PolarHBondContact OE1-OG1 2.92Å; Q270-T298 VanDerWaalsContact OE1-OG1 3.06Å
271V85.9Confident82.7Confident0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-131.4123.8171.9-179.40000107.6V268 H273 Q274 V276 L284 L287 L288 V295 T296 L297V268-V271 HydrophobicContact CG1-CG2 4.01Å; V271-H273 PolarHBondContact O-N 3.28Å; V271-Q274 PolarHBondContact N-O 3.42Å; V271-Q274 WeakPolarHBondContact O-CB 3.19Å; V271-Q274 PolarHBondContact O-N 2.87Å; V271-V276 HydrophobicContact CB-CG1 4.19Å; V271-V276 HydrophobicContact CG2-CG1 4.04Å; V271-V276 HydrophobicContact CG2-CG2 4.16Å; V271-L284 HydrophobicContact CG2-CD1 3.63Å; V271-L287 HydrophobicContact CB-CD2 3.81Å; V271-L287 HydrophobicContact CB-CG 4.25Å; V271-L287 HydrophobicContact CG1-CD2 4.03Å; V271-L287 HydrophobicContact CG1-CG 3.89Å; V271-L288 HydrophobicContact CB-CD2 4.47Å; V271-L288 HydrophobicContact CG1-CD2 3.66Å; V271-L288 HydrophobicContact CG1-CG 4.33Å; V271-L288 HydrophobicContact CG2-CD2 3.89Å; V271-L288 HydrophobicContact CG2-CG 4.43Å; V271-V295 HydrophobicContact CG1-CG1 4.13Å; V271-T296 CarbonylContact C-O 3.55Å; V271-T296 WeakPolarHBondContact CA-O 3.42Å; V271-L297 HydrophobicContact CB-CD2 4.45Å; V271-L297 HydrophobicContact CG1-CD2 4.29Å; V271-L297 HydrophobicContact CG2-CD2 3.84Å
272N84.1Confident83.2Confident39 Ų3927.7 Ų27.721%0.20914%0.141CC..THydrogen-bonded Turntrans49.842.3-177.7-70.1-1.1000113.6Q274 D291 V295 T296N272-Q274 PolarHBondContact O-N 2.82Å; N272-D291 WeakPolarHBondContact ND2-CB 3.22Å; N272-D291 PolarHBondContact ND2-OD2 3.33Å; N272-V295 WeakPolarHBondContact OD1-CA 3.31Å; N272-T296 PolarHBondContact N-O 3Å; N272-T296 PolarHBondContact OD1-N 2.99Å
273H81.4Confident83.5Confident145 Ų14529 Ų2967%0.67115%0.148SC*.THydrogen-bonded Turntrans68.7-7.5-175.4-4190.9000115.8Q270 V271Q270-H273 PolarHBondContact NE2-O 3.24Å; V271-H273 PolarHBondContact O-N 3.28Å
274Q84.6Confident84.2Confident42 Ų4227.5 Ų27.520%0.19614%0.141CC..EExtended strand (participates in β ladder)trans-76.8127.7168.4177.555.948.700110Q270 V271 N272 W279 L287Q270-Q274 CarbonylContact C-O 3.53Å; Q270-Q274 WeakPolarHBondContact CA-O 3.42Å; Q270-Q274 VanDerWaalsContact CB-O 3.31Å; Q270-Q274 WeakPolarHBondContact CB-O 3.48Å; V271-Q274 PolarHBondContact N-O 3.42Å; V271-Q274 WeakPolarHBondContact O-CB 3.19Å; V271-Q274 PolarHBondContact O-N 2.87Å; N272-Q274 PolarHBondContact O-N 2.82Å; Q274-W279 HydrophobicContact CG-CH2 3.58Å; Q274-W279 HydrophobicContact CG-CZ2 3.63Å; Q274-L287 HydrophobicContact CB-CD2 4.17Å; Q274-L287 HydrophobicContact CG-CD2 4.21Å
275T87.1Confident84.6Confident5 Ų527.7 Ų27.73%0.03114%0.139CC..EExtended strand (participates in β ladder)trans-75.4129.4174.1-52.80000110.1W11 L73 L76 Q270 V277 W279W11-T275 HydrophobicContact CH2-CG2 3.71Å; W11-T275 HydrophobicContact CZ2-CG2 3.92Å; W11-T275 WeakPolarHBondContact CZ2-OG1 3.4Å; L73-T275 HydrophobicContact CD2-CG2 4.11Å; L76-T275 HydrophobicContact CD2-CG2 4.13Å; Q270-T275 PolarHBondContact NE2-OG1 3.22Å; T275-V277 HydrophobicContact CG2-CB 4.35Å; T275-V277 HydrophobicContact CG2-CG2 4.3Å; T275-W279 PolarHBondContact O-NE1 3.47Å
276V85.6Confident85.3Confident0 Ų032.1 Ų32.10%016%0.162CC..  trans-116.210.8-172.6-62.30000113.3H245 V268 I269 V271 G278 W279 L284 L287H245-V276 PolarHBondContact CD2-O 2.95Å; H245-V276 VanDerWaalsContact CD2-O 3.27Å; H245-V276 PolarHBondContact NE2-O 3.32Å; V268-V276 HydrophobicContact CG1-CG2 4.05Å; I269-V276 WeakPolarHBondContact O-CG2 3.43Å; I269-V276 PolarHBondContact O-N 3.43Å; V271-V276 HydrophobicContact CB-CG1 4.19Å; V271-V276 HydrophobicContact CG2-CG1 4.04Å; V271-V276 HydrophobicContact CG2-CG2 4.16Å; V276-G278 PolarHBondContact O-N 3.01Å; V276-W279 HydrophobicContact CB-CD2 4Å; V276-W279 HydrophobicContact CB-CE3 4.13Å; V276-W279 HydrophobicContact CB-CG 4.17Å; V276-W279 HydrophobicContact CG1-CD2 3.98Å; V276-W279 HydrophobicContact CG1-CE3 3.74Å; V276-W279 HydrophobicContact CG1-CH2 4.46Å; V276-W279 HydrophobicContact CG1-CZ3 4Å; V276-W279 VanDerWaalsContact O-CB 3.27Å; V276-W279 WeakPolarHBondContact O-CB 3.46Å; V276-W279 PolarHBondContact O-N 3.34Å; V276-L284 HydrophobicContact CB-CD1 3.91Å; V276-L284 HydrophobicContact CG1-CD1 3.95Å; V276-L284 HydrophobicContact CG2-CD1 3.77Å; V276-L287 HydrophobicContact CG1-CD2 3.93Å
277V85.4Confident85.5Confident5 Ų534.5 Ų34.53%0.0317%0.174CC..THydrogen-bonded Turntrans-68.8130.5177.1175.20000109.7W19 L72 L73 L76 I269 T275 W279W19-V277 PolarHBondContact NE1-O 3.26Å; L72-V277 HydrophobicContact CB-CG1 3.52Å; L72-V277 HydrophobicContact CD1-CG1 4.34Å; L73-V277 HydrophobicContact CD2-CB 4.21Å; L73-V277 HydrophobicContact CD2-CG1 4.48Å; L76-V277 HydrophobicContact CD2-CG2 4.1Å; I269-V277 HydrophobicContact CD1-CG2 4.1Å; I269-V277 HydrophobicContact CG2-CG2 4.1Å; T275-V277 HydrophobicContact CG2-CB 4.35Å; T275-V277 HydrophobicContact CG2-CG2 4.3Å; V277-W279 VanDerWaalsContact C-N 3.31Å
278G83.3Confident85.5Confident11 Ų1134.4 Ų34.411%0.11317%0.174CC..THydrogen-bonded Turntrans84-2.2-174.400000114.4L23 G243 V276L23-G278 WeakPolarHBondContact CD2-O 3.37Å; G243-G278 PolarHBondContact O-N 3.24Å; V276-G278 PolarHBondContact O-N 3.01Å
279W89.6Confident85.1Confident20 Ų2043.5 Ų43.58%0.07621%0.208CC..  trans-75.1158.5-177.7-74.921.6000112.9D18 W19 G22 H245 Q274 T275 V276 V277 N283 L287D18-W279 WeakPolarHBondContact O-CZ2 3.39Å; W19-W279 AromaticContact CD1-CD1 3.91Å; W19-W279 AromaticContact CD1-NE1 3.36Å; W19-W279 AromaticContact CG-NE1 4Å; W19-W279 AromaticContact NE1-CD1 3.99Å; W19-W279 AromaticContact NE1-NE1 3.91Å; W19-W279 PolarHBondContact O-NE1 3.26Å; G22-W279 WeakPolarHBondContact O-CA 3.45Å; G22-W279 WeakPolarHBondContact O-CB 3.38Å; H245-W279 PolarHBondContact CE1-O 3.16Å; H245-W279 PolarHBondContact NE2-O 3.41Å; Q274-W279 HydrophobicContact CG-CH2 3.58Å; Q274-W279 HydrophobicContact CG-CZ2 3.63Å; T275-W279 PolarHBondContact O-NE1 3.47Å; V276-W279 HydrophobicContact CB-CD2 4Å; V276-W279 HydrophobicContact CB-CE3 4.13Å; V276-W279 HydrophobicContact CB-CG 4.17Å; V276-W279 HydrophobicContact CG1-CD2 3.98Å; V276-W279 HydrophobicContact CG1-CE3 3.74Å; V276-W279 HydrophobicContact CG1-CH2 4.46Å; V276-W279 HydrophobicContact CG1-CZ3 4Å; V276-W279 VanDerWaalsContact O-CB 3.27Å; V276-W279 WeakPolarHBondContact O-CB 3.46Å; V276-W279 PolarHBondContact O-N 3.34Å; V277-W279 VanDerWaalsContact C-N 3.31Å; W279-N283 HydrophobicContact CE3-CB 4.15Å; W279-L287 HydrophobicContact CH2-CD2 4.08Å; W279-L287 HydrophobicContact CZ3-CB 4.42Å; W279-L287 HydrophobicContact CZ3-CD2 3.74Å
280Q86.9Confident84.2Confident66 Ų6646.4 Ų46.431%0.30824%0.238SC..  trans-77.2143167.2-82179.3700112.3G22 L23 D24 K282 N283 L284G22-Q280 PolarHBondContact O-N 3.45Å; G22-Q280 VanDerWaalsContact O-N 3.1Å; L23-Q280 WeakPolarHBondContact O-CB 3.4Å; L23-Q280 VanDerWaalsContact O-CD 3.31Å; L23-Q280 WeakPolarHBondContact O-CG 3.48Å; D24-Q280 PolarHBondContact OD2-NE2 3.28Å; Q280-K282 HydrophobicContact CB-CD 4.48Å; Q280-K282 HydrophobicContact CB-CG 4.24Å; Q280-K282 PolarHBondContact O-N 3.49Å; Q280-K282 VanDerWaalsContact OE1-CE 3.31Å; Q280-N283 WeakPolarHBondContact O-CB 3.49Å; Q280-N283 PolarHBondContact O-N 3.47Å; Q280-L284 PolarHBondContact O-N 2.84Å; Q280-L284 VanDerWaalsContact O-N 3.08Å
281L86.1Confident83.3Confident68 Ų6848 Ų4836%0.35625%0.247SC..Hα-helixtrans-52.6-35.8-179.5-174.655.1000112.9I237 S239 N283 L284 V285I237-L281 HydrophobicContact CB-CD1 4.4Å; I237-L281 HydrophobicContact CG2-CD1 4.08Å; S239-L281 WeakPolarHBondContact OG-CB 3.28Å; L281-N283 VanDerWaalsContact C-N 3.34Å; L281-N283 PolarHBondContact O-N 3.25Å; L281-L284 HydrophobicContact CD1-CD2 4.27Å; L281-V285 HydrophobicContact CD1-CG2 3.95Å; L281-V285 HydrophobicContact CG-CG2 4.3Å; L281-V285 VanDerWaalsContact O-CB 3.31Å; L281-V285 WeakPolarHBondContact O-CB 3.33Å; L281-V285 VanDerWaalsContact O-CG2 3.23Å; L281-V285 WeakPolarHBondContact O-CG2 3.47Å; L281-V285 PolarHBondContact O-N 2.91Å
282K87.3Confident82.2Confident74 Ų7452.8 Ų52.832%0.32228%0.278SS..Hα-helixtrans-61.8-41.5177.580.1-165.3-171.4-157.90111.5D25 Q280 V285 N286D25-K282 WeakPolarHBondContact OD1-CE 3.46Å; D25-K282 IonicContact OD1-NZ 2.73Å; D25-K282 PolarHBondContact OD1-NZ 3.14Å; D25-K282 IonicContact OD2-NZ 2.75Å; D25-K282 PolarHBondContact OD2-NZ 3.32Å; Q280-K282 HydrophobicContact CB-CD 4.48Å; Q280-K282 HydrophobicContact CB-CG 4.24Å; Q280-K282 PolarHBondContact O-N 3.49Å; Q280-K282 VanDerWaalsContact OE1-CE 3.31Å; K282-V285 PolarHBondContact O-N 3.12Å; K282-N286 WeakPolarHBondContact O-CB 3.35Å; K282-N286 PolarHBondContact O-N 3.33Å; K282-N286 PolarHBondContact O-ND2 3.48Å; K282-N286 PolarHBondContact O-OD1 2.81Å
283N86.6Confident81.1Confident27 Ų2754.9 Ų54.914%0.14430%0.301CS..Hα-helixtrans-75.7-41.7-176.3-66.2-19.5000110.2G22 W279 Q280 L281 N286 L287G22-N283 PolarHBondContact O-ND2 2.86Å; W279-N283 HydrophobicContact CE3-CB 4.15Å; Q280-N283 WeakPolarHBondContact O-CB 3.49Å; Q280-N283 PolarHBondContact O-N 3.47Å; L281-N283 VanDerWaalsContact C-N 3.34Å; L281-N283 PolarHBondContact O-N 3.25Å; N283-N286 PolarHBondContact O-N 3.11Å; N283-L287 PolarHBondContact O-N 2.78Å
284L86.6Confident80.6Confident0 Ų048.8 Ų48.80%028%0.277CS..Hα-helixtrans-55.4-51.4168.2178.270.6000111.8I237 H245 V268 V271 V276 Q280 L281 N286 L287 L288I237-L284 HydrophobicContact CD1-CD2 3.93Å; I237-L284 HydrophobicContact CG2-CD2 4.02Å; H245-L284 HydrophobicContact CB-CD2 4.03Å; V268-L284 HydrophobicContact CG1-CD1 4.47Å; V271-L284 HydrophobicContact CG2-CD1 3.63Å; V276-L284 HydrophobicContact CB-CD1 3.91Å; V276-L284 HydrophobicContact CG1-CD1 3.95Å; V276-L284 HydrophobicContact CG2-CD1 3.77Å; Q280-L284 PolarHBondContact O-N 2.84Å; Q280-L284 VanDerWaalsContact O-N 3.08Å; L281-L284 HydrophobicContact CD1-CD2 4.27Å; L284-N286 VanDerWaalsContact C-N 3.3Å; L284-N286 PolarHBondContact O-N 3.45Å; L284-L287 PolarHBondContact O-N 3.39Å; L284-L288 HydrophobicContact CD1-CD1 4.22Å; L284-L288 HydrophobicContact CD1-CG 4.39Å; L284-L288 HydrophobicContact CD2-CD1 4.35Å; L284-L288 HydrophobicContact CG-CD1 3.85Å; L284-L288 HydrophobicContact CG-CG 4.39Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 VanDerWaalsContact O-CG 3.26Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3Å
285V85.4Confident80.5Confident39 Ų3946.8 Ų46.824%0.23627%0.268CS..Hα-helixtrans-67-31.7-177.8168.70000111.9L281 K282 R289L281-V285 HydrophobicContact CD1-CG2 3.95Å; L281-V285 HydrophobicContact CG-CG2 4.3Å; L281-V285 VanDerWaalsContact O-CB 3.31Å; L281-V285 WeakPolarHBondContact O-CB 3.33Å; L281-V285 VanDerWaalsContact O-CG2 3.23Å; L281-V285 WeakPolarHBondContact O-CG2 3.47Å; L281-V285 PolarHBondContact O-N 2.91Å; K282-V285 PolarHBondContact O-N 3.12Å; V285-R289 WeakPolarHBondContact O-CB 3.44Å; V285-R289 WeakPolarHBondContact O-CD 3.49Å; V285-R289 WeakPolarHBondContact O-CG 3.32Å; V285-R289 PolarHBondContact O-N 2.94Å
286N84.9Confident80.4Confident98 Ų9847.6 Ų47.652%0.52427%0.273SS..Hα-helixtrans-66.7-45.2171.8-70.6-15000111.2K282 N283 L284 L288 R289 G290K282-N286 WeakPolarHBondContact O-CB 3.35Å; K282-N286 PolarHBondContact O-N 3.33Å; K282-N286 PolarHBondContact O-ND2 3.48Å; K282-N286 PolarHBondContact O-OD1 2.81Å; N283-N286 PolarHBondContact O-N 3.11Å; L284-N286 VanDerWaalsContact C-N 3.3Å; L284-N286 PolarHBondContact O-N 3.45Å; N286-L288 PolarHBondContact O-N 3.23Å; N286-R289 CarbonylContact O-C 3.55Å; N286-R289 PolarHBondContact O-N 3.04Å; N286-R289 VanDerWaalsContact O-N 3.09Å; N286-G290 PolarHBondContact O-N 2.93Å
287L84Confident80.4Confident50 Ų5047.6 Ų47.626%0.26227%0.273SS..Hα-helixtrans-61.8-41.9175.6-175.660.6000112V271 Q274 V276 W279 N283 L284 R289 G290V271-L287 HydrophobicContact CB-CD2 3.81Å; V271-L287 HydrophobicContact CB-CG 4.25Å; V271-L287 HydrophobicContact CG1-CD2 4.03Å; V271-L287 HydrophobicContact CG1-CG 3.89Å; Q274-L287 HydrophobicContact CB-CD2 4.17Å; Q274-L287 HydrophobicContact CG-CD2 4.21Å; V276-L287 HydrophobicContact CG1-CD2 3.93Å; W279-L287 HydrophobicContact CH2-CD2 4.08Å; W279-L287 HydrophobicContact CZ3-CB 4.42Å; W279-L287 HydrophobicContact CZ3-CD2 3.74Å; N283-L287 PolarHBondContact O-N 2.78Å; L284-L287 PolarHBondContact O-N 3.39Å; L287-R289 PolarHBondContact O-N 3.45Å; L287-G290 PolarHBondContact O-N 3.44Å
288L82.1Confident80.4Confident13 Ų1347.5 Ų47.57%0.06827%0.273CS..Hα-helixtrans-66.5-13.4174.3-69.2171.5000114.6L233 I237 V271 L284 N286 V295 L297L233-L288 HydrophobicContact CD1-CB 4.12Å; L233-L288 HydrophobicContact CD1-CD2 4.3Å; I237-L288 HydrophobicContact CD1-CD1 3.61Å; V271-L288 HydrophobicContact CB-CD2 4.47Å; V271-L288 HydrophobicContact CG1-CD2 3.66Å; V271-L288 HydrophobicContact CG1-CG 4.33Å; V271-L288 HydrophobicContact CG2-CD2 3.89Å; V271-L288 HydrophobicContact CG2-CG 4.43Å; L284-L288 HydrophobicContact CD1-CD1 4.22Å; L284-L288 HydrophobicContact CD1-CG 4.39Å; L284-L288 HydrophobicContact CD2-CD1 4.35Å; L284-L288 HydrophobicContact CG-CD1 3.85Å; L284-L288 HydrophobicContact CG-CG 4.39Å; L284-L288 WeakPolarHBondContact O-CB 3.49Å; L284-L288 VanDerWaalsContact O-CG 3.26Å; L284-L288 WeakPolarHBondContact O-CG 3.44Å; L284-L288 PolarHBondContact O-N 3Å; N286-L288 PolarHBondContact O-N 3.23Å; L288-V295 HydrophobicContact CD2-CG1 3.7Å; L288-L297 HydrophobicContact CD2-CD2 3.68Å
289R77.8Confident80.5Confident194 Ų19447 Ų4773%0.73227%0.267SS*.Hα-helixtrans-107.1-17.9176.9-73.6172.1178.3-176.80.1113.4V285 N286 L287 D291V285-R289 WeakPolarHBondContact O-CB 3.44Å; V285-R289 WeakPolarHBondContact O-CD 3.49Å; V285-R289 WeakPolarHBondContact O-CG 3.32Å; V285-R289 PolarHBondContact O-N 2.94Å; N286-R289 CarbonylContact O-C 3.55Å; N286-R289 PolarHBondContact O-N 3.04Å; N286-R289 VanDerWaalsContact O-N 3.09Å; L287-R289 PolarHBondContact O-N 3.45Å; R289-D291 VanDerWaalsContact C-N 3.35Å
290G68.2Low79.9Confident64 Ų6446.5 Ų46.566%0.6627%0.266SS*.Hα-helixtrans-76.4-18.7-174.500000114.5N286 L287 P292N286-G290 PolarHBondContact O-N 2.93Å; L287-G290 PolarHBondContact O-N 3.44Å; G290-P292 WeakPolarHBondContact O-CD 3.44Å
291D67.7Low79.4Confident48 Ų4843.9 Ų43.926%0.25725%0.253SS..  trans-106.6106.5-179.9-165.2-32.2000111.9N272 R289 A293 G294 V295N272-D291 WeakPolarHBondContact ND2-CB 3.22Å; N272-D291 PolarHBondContact ND2-OD2 3.33Å; R289-D291 VanDerWaalsContact C-N 3.35Å; D291-A293 WeakPolarHBondContact OD1-CA 3.4Å; D291-A293 WeakPolarHBondContact OD1-CB 3.33Å; D291-A293 PolarHBondContact OD1-N 3.12Å; D291-G294 VanDerWaalsContact CG-O 3.23Å; D291-G294 PolarHBondContact OD1-N 3.5Å; D291-G294 VanDerWaalsContact OD1-N 3.11Å; D291-V295 HydrophobicContact CB-CG2 4.44Å
292P62.4Low78.4Confident100 Ų10041.8 Ų41.865%0.64924%0.241SC*.SBendtrans-83.9-12.4174.834.1-35.4000113.9G290G290-P292 WeakPolarHBondContact O-CD 3.44Å
293A61.1Low76.9Confident84 Ų8438.7 Ų38.769%0.69423%0.228SC*.SBendtrans-77.7-39.6179.500000111.1D291D291-A293 WeakPolarHBondContact OD1-CA 3.4Å; D291-A293 WeakPolarHBondContact OD1-CB 3.33Å; D291-A293 PolarHBondContact OD1-N 3.12Å
294G70.4Confident75.4Confident16 Ų1640 Ų4017%0.16523%0.233CC..EExtended strand (participates in β ladder)trans162.4157.3172.300000112.6L224 D291L224-G294 WeakPolarHBondContact O-CA 3.37Å; D291-G294 VanDerWaalsContact CG-O 3.23Å; D291-G294 PolarHBondContact OD1-N 3.5Å; D291-G294 VanDerWaalsContact OD1-N 3.11Å
295V83.1Confident73.1Confident1 Ų142 Ų421%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-110.6121.7-177.8165.50000110.5L224 I227 V271 N272 L288 D291 L297L224-V295 PolarHBondContact N-O 2.83Å; L224-V295 PolarHBondContact O-N 3.42Å; I227-V295 HydrophobicContact CD1-CB 3.96Å; I227-V295 HydrophobicContact CD1-CG2 3.54Å; V271-V295 HydrophobicContact CG1-CG1 4.13Å; N272-V295 WeakPolarHBondContact OD1-CA 3.31Å; L288-V295 HydrophobicContact CD2-CG1 3.7Å; D291-V295 HydrophobicContact CB-CG2 4.44Å; V295-L297 HydrophobicContact CG1-CD2 3.46Å; V295-L297 VanDerWaalsContact CG1-CD2 3.46Å; V295-L297 HydrophobicContact CG1-CG 3.89Å
296T85.1Confident70.8Confident21 Ų2146.5 Ų46.513%0.12928%0.275CS..EExtended strand (participates in β ladder)trans-97.4117.8172.9-58.50000109.4V221 Q223 V271 N272V221-T296 HydrophobicContact CG1-CG2 3.53Å; Q223-T296 HydrophobicContact CG-CG2 4.03Å; V271-T296 CarbonylContact C-O 3.55Å; V271-T296 WeakPolarHBondContact CA-O 3.42Å; N272-T296 PolarHBondContact N-O 3Å; N272-T296 PolarHBondContact OD1-N 2.99Å
297L85.6Confident68.5Low0 Ų049.2 Ų49.20%029%0.289CS..EExtended strand (participates in β ladder)trans-107.9125.1179.7-57.2178.8000110.6V221 V222 L224 M235 I262 Q270 V271 L288 V295 L299V221-L297 CarbonylContact C-O 3.53Å; V221-L297 WeakPolarHBondContact CA-O 3.35Å; V222-L297 PolarHBondContact N-O 3.11Å; V222-L297 PolarHBondContact O-N 3.3Å; L224-L297 HydrophobicContact CD1-CD1 3.94Å; M235-L297 HydrophobicContact CE-CD1 3.69Å; M235-L297 HydrophobicContact SD-CD1 3.81Å; I262-L297 HydrophobicContact CD1-CD1 4.14Å; Q270-L297 WeakPolarHBondContact O-CA 3.42Å; V271-L297 HydrophobicContact CB-CD2 4.45Å; V271-L297 HydrophobicContact CG1-CD2 4.29Å; V271-L297 HydrophobicContact CG2-CD2 3.84Å; L288-L297 HydrophobicContact CD2-CD2 3.68Å; V295-L297 HydrophobicContact CG1-CD2 3.46Å; V295-L297 VanDerWaalsContact CG1-CD2 3.46Å; V295-L297 HydrophobicContact CG1-CG 3.89Å; L297-L299 HydrophobicContact CB-CD2 3.98Å; L297-L299 HydrophobicContact CB-CG 4.03Å; L297-L299 HydrophobicContact CD1-CD2 4.44Å
298T85.1Confident66.3Low4 Ų450.9 Ų50.93%0.02530%0.301CS..EExtended strand (participates in β ladder)trans-91.4109.5163.7-52.60000107.6I4 L219 V221 I269 Q270I4-T298 HydrophobicContact CG2-CG2 4.33Å; L219-T298 HydrophobicContact CB-CG2 4.25Å; L219-T298 HydrophobicContact CD1-CG2 4.02Å; L219-T298 HydrophobicContact CD2-CG2 4.17Å; L219-T298 HydrophobicContact CG-CG2 4.38Å; V221-T298 HydrophobicContact CG2-CG2 4.48Å; I269-T298 WeakPolarHBondContact CB-O 3.44Å; I269-T298 PolarHBondContact N-O 3.46Å; Q270-T298 HydrophobicContact CG-CG2 4.44Å; Q270-T298 PolarHBondContact N-O 2.97Å; Q270-T298 PolarHBondContact O-N 3.31Å; Q270-T298 PolarHBondContact OE1-OG1 2.92Å; Q270-T298 VanDerWaalsContact OE1-OG1 3.06Å
299L83.8Confident64.3Low0 Ų054.2 Ų54.20%033%0.325CS..EExtended strand (participates in β ladder)trans-108130-176.9-60.1-176.4000110.8L219 E220 V222 I247 I262 D266 E267 V268 L297 K301L219-L299 WeakPolarHBondContact CA-O 3.44Å; E220-L299 PolarHBondContact N-O 2.82Å; E220-L299 PolarHBondContact O-N 3.25Å; V222-L299 HydrophobicContact CG2-CD1 4.05Å; I247-L299 HydrophobicContact CD1-CD1 3.97Å; I247-L299 HydrophobicContact CD1-CD2 3.81Å; I262-L299 HydrophobicContact CD1-CD1 4.44Å; I262-L299 HydrophobicContact CG1-CD1 3.85Å; D266-L299 HydrophobicContact CB-CD1 4.48Å; E267-L299 CarbonylContact O-C 3.42Å; E267-L299 WeakPolarHBondContact O-CA 3.32Å; V268-L299 HydrophobicContact CB-CD2 4.16Å; V268-L299 HydrophobicContact CG1-CD2 4.18Å; V268-L299 HydrophobicContact CG2-CD2 3.87Å; L297-L299 HydrophobicContact CB-CD2 3.98Å; L297-L299 HydrophobicContact CB-CG 4.03Å; L297-L299 HydrophobicContact CD1-CD2 4.44Å; L299-K301 PolarHBondContact O-N 3.11Å
300K78.3Confident62.4Low10 Ų1049.3 Ų49.34%0.04332%0.317CS..EExtended strand (participates in β ladder)trans-83.3108.6168.9177.1176.9-178.4177.10108.5L80 R144 A217 L219 E267 I269L80-K300 HydrophobicContact CD2-CD 3.93Å; L80-K300 HydrophobicContact CD2-CG 4.31Å; R144-K300 VanDerWaalsContact NH2-NZ 3.11Å; A217-K300 HydrophobicContact CB-CD 4.47Å; A217-K300 HydrophobicContact CB-CG 4.03Å; L219-K300 HydrophobicContact CD2-CB 3.89Å; E267-K300 HydrophobicContact CB-CB 4.02Å; E267-K300 PolarHBondContact N-O 3.18Å; E267-K300 VanDerWaalsContact N-O 3.09Å; E267-K300 PolarHBondContact O-N 3.07Å; I269-K300 HydrophobicContact CD1-CB 3.81Å; I269-K300 HydrophobicContact CD1-CD 4.33Å; I269-K300 HydrophobicContact CG1-CB 3.59Å
301K75.1Confident61.2Low10 Ų1048.3 Ų48.34%0.04330%0.299CS..EExtended strand (participates in β ladder)trans-75141.7178.9-63.4-50-165.5-156.20111.4A217 H218 E220 K261 D266 L299A217-K301 WeakPolarHBondContact CA-O 3.35Å; A217-K301 WeakPolarHBondContact CB-O 3.31Å; H218-K301 VanDerWaalsContact CE1-CB 3.49Å; H218-K301 WeakPolarHBondContact CE1-CB 3.48Å; H218-K301 WeakPolarHBondContact NE2-CG 3.48Å; H218-K301 WeakPolarHBondContact O-CB 3.31Å; H218-K301 PolarHBondContact O-N 2.97Å; E220-K301 HydrophobicContact CB-CD 4.44Å; E220-K301 HydrophobicContact CB-CG 4.05Å; E220-K301 WeakPolarHBondContact OE2-CE 3.29Å; E220-K301 IonicContact OE2-NZ 2.74Å; E220-K301 PolarHBondContact OE2-NZ 2.76Å; K261-K301 PolarHBondContact O-NZ 3.49Å; D266-K301 VanDerWaalsContact OD1-CD 3.26Å; D266-K301 WeakPolarHBondContact OD1-CD 3.5Å; D266-K301 IonicContact OD1-NZ 2.76Å; D266-K301 IonicContact OD2-NZ 3.78Å; D266-K301 PolarHBondContact OD2-NZ 3.46Å; L299-K301 PolarHBondContact O-N 3.11Å
302R66.1Low60.1Low25 Ų2547 Ų479%0.09430%0.295CS..PPolyproline II helixtrans-66.2145.7162.2-67.1178.9171.7178.8-5.2109.8R144 G265 Q304R144-R302 PolarHBondContact O-NH2 3.21Å; G265-R302 VanDerWaalsContact CA-NE 3.33Å; G265-R302 PolarHBondContact O-NE 3.47Å; R302-Q304 HydrophobicContact CB-CG 4.36Å; R302-Q304 PolarHBondContact O-N 3.36Å
303P56.1Low59.1Low9 Ų944.9 Ų44.96%0.05828%0.278CS..PPolyproline II helixtrans-58134.6160.226.8-32.9000109.3W141 Q215W141-P303 HydrophobicContact CH2-CG 3.84Å; W141-P303 HydrophobicContact CZ2-CG 3.98Å; Q215-P303 HydrophobicContact CB-CB 3.77Å; Q215-P303 HydrophobicContact CG-CB 3.86Å; Q215-P303 VanDerWaalsContact OE1-CB 3.3Å
304Q54Low58.5Low54 Ų5445 Ų4525%0.25227%0.267SS..  trans-150141.7-176.5-71.5-16710.400110.6Q215 R302Q215-Q304 PolarHBondContact OE1-O 3.44Å; R302-Q304 HydrophobicContact CB-CG 4.36Å; R302-Q304 PolarHBondContact O-N 3.36Å
305S39.1Very low57.1Low43 Ų4350.2 Ų50.230%0.30129%0.285SS..  trans-71.6138.4175.7-178.40000110M212 L307 T308M212-S305 PolarHBondContact SD-N 2.85Å; S305-L307 PolarHBondContact O-N 3.2Å; S305-T308 PolarHBondContact O-N 3.31Å; S305-T308 VanDerWaalsContact O-N 3.13Å; S305-T308 PolarHBondContact O-OG1 2.88Å
306T37.6Very low55Low132 Ų13257.6 Ų57.681%0.8132%0.324SS*.THydrogen-bonded Turntrans-60.7-9.6-179.446.80000114
307L37Very low52.5Low155 Ų15563.6 Ų63.681%0.81235%0.353SS*.THydrogen-bonded Turntrans-93.9-5.5-179.8-60174.8000114.5S305S305-L307 PolarHBondContact O-N 3.2Å
308T37.7Very low50.3Low86 Ų8675 Ų7553%0.52840%0.395SS..  trans-124.526.6-173.458.50000114.9S305 T310S305-T308 PolarHBondContact O-N 3.31Å; S305-T308 VanDerWaalsContact O-N 3.13Å; S305-T308 PolarHBondContact O-OG1 2.88Å; T308-T310 PolarHBondContact O-N 3.47Å
309S38.5Very low47.5Very low82 Ų8285.8 Ų85.857%0.57344%0.436SS*.  trans-74.448.1179.848.40000114.4
310T38.7Very low44.9Very low91 Ų9193.3 Ų93.356%0.55847%0.469SS*.  trans-80.7124169.258.30000110.1T308T308-T310 PolarHBondContact O-N 3.47Å
311P43.9Very low42.5Very low44 Ų4498.2 Ų98.229%0.28650%0.501SS..  trans-60149.1174.925.4-33.9000110.7L313P311-L313 HydrophobicContact CG-CD1 4.38Å; P311-L313 HydrophobicContact CG-CG 4.34Å; P311-L313 PolarHBondContact O-N 3.47Å
312A42.8Very low40.5Very low21 Ų21106.5 Ų106.517%0.17455%0.545CS..  trans-82.455.5-172.700000113T250 A264 L314T250-A312 PolarHBondContact N-O 2.86Å; A264-A312 HydrophobicContact CB-CB 3.27Å; A312-L314 PolarHBondContact O-N 3.45Å
313L41.9Very low39Very low54 Ų54108.9 Ų108.928%0.28357%0.57SS.*BIsolated β-bridgetrans-59.2113.5174.5-68.5171.9000110.4E252 D257 P311 K315E252-L313 HydrophobicContact CB-CD2 3.78Å; E252-L313 HydrophobicContact CG-CD2 3.87Å; D257-L313 WeakPolarHBondContact OD1-CD2 3.26Å; D257-L313 WeakPolarHBondContact OD2-CD2 3.2Å; P311-L313 HydrophobicContact CG-CD1 4.38Å; P311-L313 HydrophobicContact CG-CG 4.34Å; P311-L313 PolarHBondContact O-N 3.47Å; L313-K315 HydrophobicContact CB-CG 4.12Å; L313-K315 PolarHBondContact O-N 2.88Å
314L48.1Very low38Very low88 Ų88116.8 Ų116.846%0.46161%0.611SS.*  trans-75.865.6175.6-68.7176.7000111.6Y236 A312 N316Y236-L314 HydrophobicContact CD2-CD1 3.52Å; Y236-L314 HydrophobicContact CE2-CD1 3.74Å; Y236-L314 HydrophobicContact CG-CD1 4.17Å; A312-L314 PolarHBondContact O-N 3.45Å; L314-N316 PolarHBondContact O-N 2.87Å
315K41.1Very low36.8Very low124 Ų124120.9 Ų120.954%0.53963%0.63SS.*  trans-67.5102.1178.9-63.4-149.2174.9-138.10111.5E252 L313 M317E252-K315 VanDerWaalsContact OE1-CE 3.3Å; E252-K315 WeakPolarHBondContact OE1-CE 3.37Å; E252-K315 IonicContact OE1-NZ 2.76Å; E252-K315 PolarHBondContact OE1-NZ 3.38Å; E252-K315 WeakPolarHBondContact OE2-CE 3.2Å; E252-K315 IonicContact OE2-NZ 3.98Å; E252-K315 PolarHBondContact OE2-NZ 2.96Å; L313-K315 HydrophobicContact CB-CG 4.12Å; L313-K315 PolarHBondContact O-N 2.88Å; K315-M317 PolarHBondContact O-N 2.83Å
316N38.8Very low36.4Very low156 Ų156124.7 Ų124.783%0.83465%0.654SS**  trans63.336.2161.8-59.9-33.7000117.4L314 R318L314-N316 PolarHBondContact O-N 2.87Å; N316-R318 PolarHBondContact O-N 3.11Å
317M34.2Very low36Very low148 Ų148123.4 Ų123.473%0.72965%0.645SS**  trans-72.3113.6157.1-74.6-60.4-69.200109.5K315 W319K315-M317 PolarHBondContact O-N 2.83Å; M317-W319 PolarHBondContact O-N 2.94Å
318R39.2Very low35.7Very low239 Ų239125.2 Ų125.290%0.90265%0.647SS**SBendtrans-64.482.8-168-177.6-179.5163.4161.3-4.4113.9N316N316-R318 PolarHBondContact O-N 3.11Å
319W26.1Very low35.4Very low231 Ų231126.4 Ų126.488%0.87566%0.656SS**  trans-137.689.1164.8-67.2102.4000110M317M317-W319 PolarHBondContact O-N 2.94Å
320K29.8Very low34.8Very low158 Ų158131.8 Ų131.869%0.68767%0.672SS**  trans-79127.3161.7-76.6-165.3-179.2-173.40108.4
321P26.6Very low34.2Very low112 Ų112132.9 Ų132.973%0.72768%0.684SS**  trans-60.7137.8155-15.930.7000108.9A323P321-A323 PolarHBondContact O-N 3.13Å
322L32.7Very low34.1Very low185 Ų185136.5 Ų136.597%0.96971%0.708SS**SBendtrans-82.967.6171.7-76.7173000110.2
323A35.3Very low33.2Very low75 Ų75141.1 Ų141.162%0.6274%0.739SS**SBendtrans-151.3125169.300000110.1P321P321-A323 PolarHBondContact O-N 3.13Å
324L35.3Very low32.5Very low175 Ų175143.9 Ų143.992%0.91676%0.762SS**  trans53.598.4164.3-52.4179000117
325Q28.9Very low31.4Very low140 Ų140144.7 Ų144.765%0.65478%0.776SS**  trans-142.2110163.1176.1164.863.300111.4
326P30.1Very low30.9Very low122 Ų122144.9 Ų144.979%0.79279%0.786SS**  trans-69146.6155.4-16.131.8000111
327V30Very low30.4Very low105 Ų105142.1 Ų142.164%0.63679%0.785SS**  trans-83142.5168.4-172.50000106
328F30.3Very low30.3Very low193 Ų193140.7 Ų140.785%0.84679%0.785SS**  -152.4158.758.2-68.5-95.5000113.3
329P31Very low30.1Very low111 Ų111135.2 Ų135.272%0.72178%0.781SS**  trans-87.9139.2161.335-30.1000111.8
330Q26.3Very low30.1Very low195 Ų195130.3 Ų130.391%0.91178%0.776SS**  trans-112.2151.1149.9-76-171-9.500108.7
331S26.3Very low29.9Very low115 Ų115127.3 Ų127.380%0.80478%0.775SS**  trans-149.5150174.9-73.70000110
332P42.3Very low30Very low120 Ų120127.6 Ų127.678%0.77978%0.775SS**  trans-99.7161.9-150.637.1-36.8000114.4
333S23.8Very low29.7Very low118 Ų118126.4 Ų126.483%0.82577%0.769SS**  trans-155.8158.4150.3-81.70000111.8
334S25.9Very low29.2Very low111 Ų111128.2 Ų128.278%0.77678%0.777SS**  trans-35.415516956.80000115.1
335S25.8Very low28.6Very low106 Ų106126.3 Ų126.374%0.74177%0.773SS**  cis-166.2166.944.757.50000115.7
336V29.9Very low29Very low127 Ų127125.3 Ų125.377%0.7778%0.778SS**  trans-1.7126.6153.7-1770000117.2
337A29.3Very low28.8Very low98 Ų98124.9 Ų124.981%0.8178%0.779SS**  trans-88.6107.6171.400000112.6
338T31.4Very low28.7Very low119 Ų119130.7 Ų130.773%0.7379%0.789SS**  trans-168.2136.1148.35.20000106.8
339P34.6Very low28.7Very low124 Ų124132.6 Ų132.681%0.80579%0.791SS**  -147.1166.194.840.1-25.3000114.9
340T25.9Very low28.4Very low127 Ų127132.5 Ų132.578%0.77979%0.793SS**  trans-73.3163.1159.2-56.90000110.3
341S26Very low28.5Very low96 Ų96128.3 Ų128.367%0.67179%0.785SS**  trans-35.7160.3167.6-39.40000115
342T28.8Very low28.6Very low118 Ų118128.6 Ų128.672%0.72479%0.785SS**  cis-171.6151.339.8-20.50000112.3
343L27.2Very low27.9Very low159 Ų159126.7 Ų126.783%0.83278%0.78SS**  trans61.5162.5148.2-76.1166.4000122.5
344S24.4Very low28.4Very low114 Ų114127.8 Ų127.880%0.79778%0.775SS**  trans82.894.3158.4-55.30000120.3
345T22.6Very low28.5Very low134 Ų134129 Ų12982%0.82277%0.769SS**  trans-86.1-172.1145.1630000108.7
346P37.5Very low28.7Very low119 Ų119129.9 Ų129.977%0.77377%0.765SS**  cis-137.5-166.4-341.6-22.3000115.3
347S24.8Very low28.7Very low114 Ų114132.4 Ų132.480%0.79777%0.773SS**  trans103.6146.6145.7-160.40000119.2
348R28.6Very low28.7Very low226 Ų226136.6 Ų136.685%0.85377%0.77SS**  -174.1170.3-51.3-125.2-165.9176.9-135.20.8110.5
349R29.5Very low28.6Very low234 Ų234138.5 Ų138.588%0.88377%0.774SS**  trans78.2139.3171.6-55.3179.7179.9172.6-0.5114
350S25.8Very low28.4Very low109 Ų109137 Ų13776%0.76276%0.764SS**  cis-172.8153.4-5.737.20000107.9
351S28.2Very low28.9Very low106 Ų106136.2 Ų136.274%0.74176%0.761SS**  cis-139.9-176.45.5-91.30000108.2
352C27.4Very low29.1Very low121 Ų121137.2 Ų137.282%0.81877%0.765SS**  cis65.9135.638.4-54.20000114.3
353A28.1Very low29.3Very low80 Ų80138 Ų13866%0.66177%0.772SS**  cis-140.3142.318.200000112.4
354L34.1Very low29.5Very low141 Ų141134.8 Ų134.874%0.73877%0.769SS**  76.8148.594.7-57.6173.8000114.3
355Q28.1Very low29.8Very low138 Ų138138.2 Ų138.265%0.64577%0.772SS**  cis-153.7148.410.9-163.387.143.800113.1
356D29.9Very low30.8Very low123 Ų123137.1 Ų137.166%0.65877%0.767SS**  trans10.8154151.4-47.3-20.9000125.3
357L31.2Very low30.4Very low180 Ų180142.9 Ų142.994%0.94278%0.776SS**  -164.2157.8103.1-98.1169.4000113.1
358Y28.9Very low30.5Very low187 Ų187141.5 Ų141.573%0.73377%0.771SS**  trans-142.6140.7-169.4174.2-81.9000112.1P360Y358-P360 HydrophobicContact CE1-CB 4.31Å
359I28.8Very low30.6Very low158 Ų158137 Ų13781%0.8177%0.771SS**  trans-141.4139.4174.6-63.1-174.7000109.2
360P31.7Very low30.5Very low93 Ų93136 Ų13660%0.60477%0.767SS**PPolyproline II helixtrans-89.1167.9-167.235.5-38.3000115.9Y358Y358-P360 HydrophobicContact CE1-CB 4.31Å
361P34.5Very low30.6Very low110 Ų110136 Ų13671%0.71476%0.759SS**PPolyproline II helixtrans-81.8158176.634.2-36.7000114.3
362P31.8Very low30.6Very low118 Ų118137.5 Ų137.577%0.76675%0.754SS**PPolyproline II helixtrans-79.9159.517633.6-35.9000113.8
363P32.9Very low30.7Very low134 Ų134139.2 Ų139.287%0.8775%0.747SS**PPolyproline II helixtrans-79.1171.9179.534.1-36.9000113.8
364A29.9Very low30.6Very low92 Ų92144.1 Ų144.176%0.7676%0.757SS**  trans-113.3131.1-171.700000114.2
365E30.6Very low30.2Very low185 Ų185143.7 Ų143.786%0.86476%0.755SS**  trans60.3169163.5-56.4-166.6160.500117.4
366P43.6Very low30.2Very low111 Ų111145.3 Ų145.372%0.72177%0.767SS**  -126.1158.9-61.436.5-24.9000111.9
367Y28.9Very low29.9Very low241 Ų241144.7 Ų144.795%0.94577%0.768SS**  trans-138.9145.1171.4-119.5-94.4000113.1
368A28.2Very low29.6Very low85 Ų85142.9 Ų142.970%0.70276%0.759SS**  trans-111.4153.2-171.700000112.7
369P30.8Very low29.6Very low130 Ų130142.4 Ų142.484%0.84476%0.764SS**  trans-99.6104.1-179.835.3-30.5000113.6
370R27.4Very low29.5Very low215 Ų215142 Ų14281%0.81176%0.763SS**  trans-170.7151.7164.9-99.8-172.8165.6-99.6-0.7106.8
371D27.3Very low29.7Very low109 Ų109142.4 Ų142.458%0.58377%0.766SS**  cis-145.5166-2.4-90.5-55.2000104.6
372E28.9Very low29.3Very low136 Ų136145.2 Ų145.264%0.63677%0.769SS**  cis-155-161.110.9-118.4-89.246.300108.1
373K30.2Very low29Very low157 Ų157143.9 Ų143.968%0.68376%0.763SS**  trans-67.9162.6-179.1-40.9112.9-174.3150.50116.1
374E25Very low28.6Very low184 Ų184145.1 Ų145.186%0.8676%0.762SS**  -146.8167.2112.4-131.5176.3-175.600113.6
375N25.1Very low28.4Very low131 Ų131145.8 Ų145.870%0.70177%0.768SS**  trans-88.4153.4-163.6-47.9-78.5000113.9
376L28.5Very low28.2Very low173 Ų173146 Ų14691%0.90677%0.769SS**  -175.5176.3107.5-96.1169.1000111.7
377T23.8Very low27.4Very low110 Ų110145.3 Ų145.368%0.67577%0.773SS**  trans-119.8169.2-161.1-24.30000113.6
378D25.4Very low27.3Very low142 Ų142138.6 Ų138.676%0.75977%0.767SS**  trans82.2166.9154.1-60-45.3000119.9
379E28.5Very low27.3Very low177 Ų177143.6 Ų143.683%0.82778%0.776SS**  trans69.775.7-180-54.5-60.386.900118.6
380D26.4Very low27Very low148 Ų148146.7 Ų146.779%0.79177%0.771SS**  trans-99.9135138.9-156.61.5000105.1
381P36.6Very low27.1Very low102 Ų102142.4 Ų142.466%0.66277%0.774SS**  -156.1160.784.543.9-25.1000118.4
382Q25.4Very low27.1Very low169 Ų169143.8 Ų143.879%0.7978%0.777SS**  102143.4129.7-142166.8-87.500121.5
383S25.2Very low26.9Very low91 Ų91142.7 Ų142.764%0.63678%0.784SS**  trans84.4120.71561.80000119.9
384D24.7Very low26.8Very low159 Ų159140.5 Ų140.585%0.8579%0.786SS**  trans44.8106142.1-58.9-28000120.9
385A26Very low26.9Very low107 Ų107139.7 Ų139.788%0.88479%0.787SS**  trans-105.1110.6156.100000110.5
386Q27Very low27.1Very low188 Ų188138.9 Ų138.988%0.87979%0.792SS**  trans-118.4134.9162.8-79.3-162.24.100111.2
387A25.5Very low27.1Very low97 Ų97140 Ų14080%0.80279%0.785SS**  trans66.9135.9159.600000119.9
388A28.3Very low27.4Very low100 Ų100142.7 Ų142.783%0.82680%0.795SS**  trans65.3152.4171.100000116.3
389E27.2Very low27.6Very low190 Ų190143.4 Ų143.489%0.88880%0.799SS**  cis-140.4177.1-0-148.9167.4-155.900112
390R25.7Very low27.7Very low196 Ų196143 Ų14374%0.7480%0.797SS**  trans-76.7149.6-179.9-81.9166.2134.2155.1-13.8113.1E392R390-E392 IonicContact CZ-OE1 3.15Å; R390-E392 IonicContact NE-OE1 2.76Å; R390-E392 PolarHBondContact NE-OE1 3.13Å; R390-E392 IonicContact NE-OE2 4Å; R390-E392 IonicContact NH2-OE1 2.7Å; R390-E392 PolarHBondContact NH2-OE1 3.45Å; R390-E392 IonicContact NH2-OE2 3.65Å
391S29.4Very low27.8Very low124 Ų124144 Ų14487%0.86780%0.797SS**  trans-137.9117.5139.255.50000110
392E25.8Very low27.5Very low139 Ų139145 Ų14565%0.6580%0.804SS**  trans-110124.4-179.3-71.7177.1178.600110.1R390R390-E392 IonicContact CZ-OE1 3.15Å; R390-E392 IonicContact NE-OE1 2.76Å; R390-E392 PolarHBondContact NE-OE1 3.13Å; R390-E392 IonicContact NE-OE2 4Å; R390-E392 IonicContact NH2-OE1 2.7Å; R390-E392 PolarHBondContact NH2-OE1 3.45Å; R390-E392 IonicContact NH2-OE2 3.65Å
393S25.8Very low27.6Very low113 Ų113145.5 Ų145.579%0.7981%0.807SS**  trans172.9162.6158.741.90000111.3
394P27.7Very low27.7Very low110 Ų110151.6 Ų151.671%0.71482%0.816SS**SBendcis-138.2103.5-40.734.9-17.6000112.3
395N27.6Very low27.8Very low168 Ų168154.5 Ų154.590%0.89882%0.815SS**  trans-172.237.3147.6-101.3-34.9000113.9Y397N395-Y397 PolarHBondContact O-N 2.74Å
396S29.2Very low27.7Very low114 Ų114159.5 Ų159.580%0.79782%0.817SS**  trans-84.193159.6-174.10000108.3
397Y27.9Very low27.9Very low196 Ų196155.9 Ų155.977%0.76981%0.81SS**  trans-152.8141.6172.5-147.1-95.8000111.2N395N395-Y397 PolarHBondContact O-N 2.74Å
398L29.5Very low27.8Very low166 Ų166159 Ų15987%0.86981%0.812SS**SBendtrans96.62.8-173-61.6174.2000118.7
399D31.2Very low27.8Very low157 Ų157159.4 Ų159.484%0.8480%0.804SS**SBendtrans-125.956.7170.1-154.116.8000112.1
400Q30.8Very low27.7Very low168 Ų168158.2 Ų158.279%0.78580%0.799SS**  trans-154.23.5177.2-137.6161.5107.600118C402Q400-C402 VanDerWaalsContact C-N 3.31Å; Q400-C402 PolarHBondContact O-N 3.39Å
401E27.6Very low27.8Very low171 Ų171156.5 Ų156.580%0.79980%0.799SS**G310 helixtrans-78.8-14.7178.5-148.867.8-108.800113.1Q403E401-Q403 VanDerWaalsContact C-N 3.29Å; E401-Q403 PolarHBondContact O-N 3.03Å
402C30.7Very low27.6Very low121 Ų121157.2 Ų157.282%0.81879%0.793SS**G310 helixtrans-8424.1-173.7-71.90000115.3Q400Q400-C402 VanDerWaalsContact C-N 3.31Å; Q400-C402 PolarHBondContact O-N 3.39Å
403Q26.9Very low27.7Very low180 Ų180155.4 Ų155.484%0.84180%0.796SS**G310 helixtrans-166.966.3167.2-119.8162.787.600118E401E401-Q403 VanDerWaalsContact C-N 3.29Å; E401-Q403 PolarHBondContact O-N 3.03Å
404R26.7Very low27.8Very low219 Ų219157.5 Ų157.583%0.82680%0.797SS**  trans-136.4109.3150.4-73-164.7-178.1-166.73.8109.5
405R26.9Very low27.6Very low220 Ų220158.9 Ų158.983%0.8380%0.797SS**  87104.774.6-82.7-177.1-174.1-169.11.6112.9
406F24.3Very low27.5Very low213 Ų213161.4 Ų161.493%0.93480%0.796SS**  trans-71.3139.3145.3-70.5-89.7000109.1
407P31.8Very low27.2Very low112 Ų112161 Ų16173%0.72779%0.791SS**  -139-178.7117.642.5-30.8000110.3
408L23.8Very low27.1Very low163 Ų163161.2 Ų161.285%0.85379%0.792SS**  cis-150.2-1638.3-167.948.8000108.7
409V26.9Very low26.7Very low108 Ų108162.1 Ų162.166%0.65579%0.792SS**  trans91.591.3168.1179.50000112.8
410E26.6Very low26.4Very low165 Ų165163.6 Ų163.677%0.77179%0.787SS**  109.9151.883.1-91.1169.9-158.600108
411E27.6Very low26.1Very low159 Ų159160.7 Ų160.774%0.74378%0.777SS**  cis-158.4166-26.3-166.5161.9-138.100108
412D25.5Very low26Very low139 Ų139159.5 Ų159.574%0.74377%0.772SS**  trans37.6128.4162.9-78.9-7.6000123.7
413S26.6Very low25.7Very low102 Ų102159.8 Ų159.871%0.71377%0.765SS**  159.9131.5115.6-75.10000115.5
414I28.8Very low25.7Very low157 Ų157158.1 Ų158.181%0.80576%0.757SS**  trans55.8109.4144-54.3167.3000117.1
415L23.4Very low25.5Very low139 Ų139155.4 Ų155.473%0.72875%0.754SS**  cis76.8101.338.8-154.2167.2000114.6
416Y25.1Very low25.4Very low221 Ų221148.9 Ų148.987%0.86775%0.747SS**  trans-170.6166.3138-117.1-82.6000112.3
417C21.9Very low25.5Very low104 Ų104144.3 Ų144.370%0.70374%0.741SS**  trans-133.4159.6-164.5-630000115.3
418Y27Very low25.3Very low201 Ų201144.4 Ų144.479%0.78875%0.745SS**  trans22.1133.4149.4-80.8-88.2000123Y420Y418-Y420 HydrophobicContact CD1-CD2 4.5Å
419E20.2Very low25.4Very low185 Ų185142.7 Ų142.786%0.86474%0.741SS**  -175.6141.9121.2-96.1161.1-165.300106.9
420Y24.4Very low25.3Very low189 Ų189147.6 Ų147.674%0.74175%0.748SS**  cis65.8138.944.9-88.8-92.5000113Y418Y418-Y420 HydrophobicContact CD1-CD2 4.5Å
421D24.5Very low25.3Very low107 Ų107149.7 Ų149.757%0.57275%0.749SS**  cis-159.7172.516.7-160.95.7000113.8
422Q25.8Very low25.2Very low146 Ų146145.3 Ų145.368%0.68275%0.746SS**  trans54.6153.6154.2-79.5171.968.800120.1
423N24.7Very low25.1Very low126 Ų126144.5 Ų144.567%0.67475%0.751SS**  cis-151.1177.4-4.4-106.8-32.8000106.6
424Q27Very low25.4Very low145 Ų145146.1 Ų146.168%0.67876%0.757SS**  cis-160.3146.324.7-155.1167.20.600111.9
425E23.6Very low25.7Very low162 Ų162143.9 Ų143.976%0.75775%0.752SS**  trans30.8156.6149.2-64.6161.1-13200124.6
426A24.5Very low25.9Very low83 Ų83142.9 Ų142.969%0.68675%0.752SS**  cis-175.4136.9-29.700000111.2
427S26.3Very low26.1Very low117 Ų117143.5 Ų143.582%0.81876%0.755SS**  trans-166.8145148.310.50000113
428S27.9Very low26.4Very low115 Ų115142.5 Ų142.580%0.80476%0.762SS**  trans-48137.2-17749.30000115.6
429V25.9Very low26.5Very low126 Ų126144.7 Ų144.776%0.76477%0.769SS**  cis78.9105.219.2-168.30000117.3
430R24.8Very low27Very low212 Ų212143.4 Ų143.480%0.877%0.767SS**  trans164.9152.8130.7-90.7-174.5-175-144.43.4111
431R26.8Very low27.4Very low209 Ų209144.4 Ų144.479%0.78977%0.77SS**  cis-172.5136.2-28.4177.6-174.5-71.9-156.6-1.7109.8
432G23.6Very low27.7Very low67 Ų67145.3 Ų145.369%0.69178%0.782SS**  trans82.4162.5161.400000116.4
433S24.6Very low28Very low121 Ų121146.3 Ų146.385%0.84679%0.79SS**  cis-158.1154.5-6.1-71.20000110.6
434T32.1Very low28.2Very low136 Ų136145.9 Ų145.983%0.83480%0.797SS**  trans-70.5143159.945.30000110.3
435P36.1Very low28.2Very low110 Ų110146 Ų14671%0.71480%0.799SS**  -155.5166.391.541.3-22.8000118.2
436T26.3Very low28.7Very low119 Ų119143.7 Ų143.773%0.7380%0.798SS**  trans52.9131.2144.951.90000124.3
437Y29.8Very low29Very low233 Ų233145.3 Ų145.391%0.91480%0.799SS**  trans44.1114.5139.5-85-102000121.3
438G28.2Very low29.1Very low83 Ų83147.2 Ų147.286%0.85680%0.795SS**  trans-159.9120158.700000112.5
439R29.6Very low29.1Very low247 Ų247150.7 Ų150.793%0.93279%0.792SS**  trans-128.891.8-171.6-166.6-170-158.4-132.510.6112.7
440L29.7Very low29.2Very low158 Ų158151.9 Ų151.983%0.82779%0.794SS**  trans-151.2145.2179.7-68.5177.5000109.4
441R33.5Very low29.4Very low210 Ų210152.3 Ų152.379%0.79280%0.795SS**  cis-141.9163.1-30.9-63.8-168.7-162.9168.26.3107
442P30.4Very low29.5Very low127 Ų127148.6 Ų148.683%0.82580%0.796SS**  trans-63.8143157.6-17.432.2000111.3
443I31.8Very low29.6Very low167 Ų167148.5 Ų148.586%0.85680%0.795SS**  trans-101.9113.8-177.7-61.1170000109.8
444S29.3Very low29.7Very low117 Ų117151.2 Ų151.282%0.81880%0.8SS**  trans-16267.3166.464.30000111.3
445M27.7Very low29.4Very low148 Ų148152.1 Ų152.173%0.72980%0.799SS**SBendtrans-145.9142.5164.9-134-175.98600107.8
446P33.7Very low29Very low112 Ų112155.8 Ų155.873%0.72781%0.807SS**  trans-61.6154.3176.5-22.834.8000112.3E448P446-E448 PolarHBondContact O-N 2.92Å
447V30.9Very low29.1Very low117 Ų117155 Ų15571%0.70980%0.798SS**  trans-85.3108.1169.8176.20000108.3Y449V447-Y449 HydrophobicContact CG1-CD2 4.15Å; V447-Y449 HydrophobicContact CG1-CE2 4.21Å; V447-Y449 PolarHBondContact O-N 3.4Å
448E27.7Very low28.9Very low158 Ų158152.6 Ų152.674%0.73880%0.8SS**  trans-71.2108167.5-68.3170.1160.900108.5P446 N450P446-E448 PolarHBondContact O-N 2.92Å; E448-N450 PolarHBondContact O-N 3.08Å
449Y29.1Very low28.9Very low188 Ų188152 Ų15274%0.73779%0.788SS**  trans-77.288.6176.3-94.2-86.3000110.6V447 W451V447-Y449 HydrophobicContact CG1-CD2 4.15Å; V447-Y449 HydrophobicContact CG1-CE2 4.21Å; V447-Y449 PolarHBondContact O-N 3.4Å; Y449-W451 AromaticContact CD1-CD1 3.93Å; Y449-W451 AromaticContact CD1-NE1 3.76Å; Y449-W451 PolarHBondContact O-N 3.38Å
450N26.7Very low28.9Very low150 Ų150148.3 Ų148.380%0.80278%0.778SS**  trans-78.496.6161.7-82.8-21000109.7E448E448-N450 PolarHBondContact O-N 3.08Å
451W30.3Very low28.8Very low221 Ų221147.2 Ų147.284%0.83777%0.772SS**  trans-98105.9153-78.8106.3000108.3Y449Y449-W451 AromaticContact CD1-CD1 3.93Å; Y449-W451 AromaticContact CD1-NE1 3.76Å; Y449-W451 PolarHBondContact O-N 3.38Å
452V27.9Very low28.5Very low132 Ų132149 Ų14980%0.878%0.779SS**PPolyproline II helixtrans-69.5134.4156.8175.70000106.2
453G26.8Very low28.3Very low64 Ų64151.9 Ų151.966%0.6677%0.773SS**PPolyproline II helixtrans-76.5143.4178.900000111.9
454D25.1Very low27.9Very low179 Ų179151.1 Ų151.196%0.95777%0.766SS**PPolyproline II helixtrans-71.1141.8148.4-74.5-46.9000108.4
455D26.8Very low27.5Very low154 Ų154149.7 Ų149.782%0.82476%0.756SS**  trans-104.4121-179.2-173.6-77.6000109.3
456E28.2Very low27.4Very low188 Ų188153.5 Ų153.588%0.87976%0.763SS**  trans-156.6146.5154.5-86.3-140.4124.100113.4
457D27Very low27.1Very low101 Ų101158.7 Ų158.754%0.5477%0.768SS.*  trans61.155.5154.6-138.332.2000120.9A459 K460D457-A459 PolarHBondContact O-N 2.95Å; D457-A459 WeakPolarHBondContact OD1-CB 3.32Å; D457-K460 IonicContact OD2-NZ 2.79Å; D457-K460 PolarHBondContact OD2-NZ 3.05Å
458L27.4Very low26.8Very low184 Ų184160.7 Ų160.796%0.96377%0.769SS**  trans-78.651.6159.3-144.8178000112.1
459A27.5Very low26.6Very low71 Ų71160.2 Ų160.259%0.58777%0.772SS**  trans-136.735.2-166.700000116.9D457D457-A459 PolarHBondContact O-N 2.95Å; D457-A459 WeakPolarHBondContact OD1-CB 3.32Å
460K29.9Very low26.4Very low168 Ų168157.4 Ų157.473%0.7378%0.78SS**SBendtrans-130.7125.3168.1-90.3135.9-161.7148.30114.9D457D457-K460 IonicContact OD2-NZ 2.79Å; D457-K460 PolarHBondContact OD2-NZ 3.05Å
461L28Very low26.6Very low135 Ų135156.6 Ų156.671%0.70778%0.775SS**  trans51.799.7165.1-98.369.7000119.9
462R27Very low26.5Very low247 Ų247153.8 Ų153.893%0.93278%0.775SS**  trans-101.193.6135.3179.1-172.8174.1-174.9-0.7109.6
463R25.6Very low26.3Very low188 Ų188156.1 Ų156.171%0.70977%0.77SS**  trans-165.8146166.8-78.4-178.1-157.688.63.2104.6
464E23.2Very low26.3Very low151 Ų151161 Ų16171%0.70677%0.773SS**  cis-151.6126.214.3-156.656.7-117.100106.1
465S22.1Very low26.8Very low87 Ų87157.3 Ų157.361%0.60876%0.759SS**  43.6105.795.7-1540000118.6
466R25.5Very low26.7Very low229 Ų229154.3 Ų154.386%0.86475%0.75SS**  trans57.9157.2148.9-77.4-177.8164.6-178.4-3.6121.3
467R27.2Very low26.5Very low220 Ų220152.9 Ų152.983%0.8374%0.743SS**  trans82.4148.2170.7-60.5176.4165.2127.3-0.2115.3
468E23.7Very low26.6Very low159 Ų159155.9 Ų155.974%0.74376%0.759SS**  cis-148.6179.1-3.3-135.5142.1-13000113.6
469N24.1Very low26.6Very low149 Ų149154.8 Ų154.880%0.79775%0.747SS**  trans-79.5164.8177.7-67.6-47.3000113.1
470S25.6Very low26.9Very low128 Ų128156.6 Ų156.690%0.89575%0.753SS**  trans-141.7151.8145.5-167.40000110.6
471L29.3Very low26.6Very low133 Ų133154 Ų15470%0.69676%0.755SS**  trans-137.1134.1-160-90.7166.7000114.7
472L29.6Very low26.5Very low163 Ų163151 Ų15185%0.85376%0.757SS**  trans-153.8139.4161.3-77.2-173.6000107.2
473R22.6Very low26.5Very low181 Ų181147.5 Ų147.568%0.68375%0.751SS**  cis67.61326.1-67.5179.3169.6-158.7-3.8115.3
474F26.8Very low26.7Very low165 Ų165143.9 Ų143.972%0.72475%0.746SS**  cis-155.7-165.34.9-99-48.9000107.1
475P36.4Very low26.8Very low102 Ų102144.8 Ų144.866%0.66275%0.748SS**  -129.2-169.6-61.341.1-24.5000112.8
476S24.4Very low27.1Very low91 Ų91147.4 Ų147.464%0.63675%0.754SS**  trans38.8157.8138.3-640000124
477E24.8Very low27.2Very low159 Ų159144.3 Ų144.374%0.74375%0.754SS**  cis-165161.8-17.7-110.3162.5114.900107.9
478D27.9Very low27.1Very low164 Ų164136.5 Ų136.588%0.87774%0.742SS**  162.8149.6124.2-93-33.7000115.4
479K28.3Very low27.4Very low161 Ų161140.7 Ų140.770%0.775%0.751SS**  trans-118174.3173.7-116.5176.7-179.5-179.10107.2
480P32.9Very low27.4Very low109 Ų109138 Ų13871%0.70874%0.744SS**  cis-158.417848.141.6-17.8000119.7
481S23.5Very low27.5Very low112 Ų112139.9 Ų139.978%0.78374%0.743SS**  trans47.7136.914263.80000123.9
482G27.4Very low27.3Very low72 Ų72137.8 Ų137.874%0.74274%0.739SS**  trans173.3130.316000000114.8
483E26.6Very low27.1Very low175 Ų175137.9 Ų137.982%0.81874%0.735SS**  trans-157162.9-159.2-77.6-171.9-127.800112.1
484N28.3Very low27.2Very low111 Ų111135.1 Ų135.159%0.59473%0.734SS**  cis-158.2170.6-3.9-138.3-47.3000113.7
485F25.3Very low27.1Very low171 Ų171137.7 Ų137.775%0.7574%0.739SS**  trans75.2144.5144-102.3-70.5000125.7
486L28.3Very low26.7Very low142 Ų142144.6 Ų144.674%0.74375%0.752SS**  trans72.1135165.6-53173.5000117
487L28.3Very low26.8Very low163 Ų163149.6 Ų149.685%0.85376%0.762SS**  cis-161.4170.2-5.9-101167.1000107.5
488G26.2Very low26.9Very low56 Ų56148.8 Ų148.858%0.57776%0.76SS**  cis158.6161.7-3.700000113.1
489R28.1Very low26.9Very low247 Ų247147.2 Ų147.293%0.93275%0.748SS**  trans71.4154.1179.6-64.6-174.7174.1-166.4-0.7118.1
490S25.7Very low26.8Very low93 Ų93149.9 Ų149.965%0.6575%0.753SS**  cis-175147.3-32-94.70000110.6
491L27.8Very low26.4Very low168 Ų168148.1 Ų148.188%0.8876%0.755SS**  trans32.6158.2139.1-52.8173.5000121.9
492S24.1Very low26.4Very low88 Ų88148.7 Ų148.762%0.61576%0.759SS**  cis174142.1-23.8-176.30000108.2
493Q26.3Very low26.3Very low165 Ų165150.7 Ų150.777%0.77176%0.762SS**  trans54.5131.6153-76.2-171.122.100124.8
494N23.5Very low27.2Very low123 Ų123148 Ų14866%0.65876%0.759SS**  88.3132.5127.8-88.4-47.7000125.6
495R26Very low27.2Very low219 Ų219148.8 Ų148.883%0.82677%0.769SS**  trans62.5131147.7-66.8179.5170.3-163-1.6121.3
496R27.1Very low27.3Very low248 Ų248147.7 Ų147.794%0.93677%0.765SS**  -178.2178.3100.2-93.3177.4-161.8-151.14.2112.3
497K26.8Very low27.3Very low195 Ų195150.1 Ų150.185%0.84877%0.766SS**  trans-151.4151.2-178.4172.3-176.6176.9-176.90108.4
498M26.1Very low27.3Very low142 Ų142147.9 Ų147.970%0.776%0.759SS**  trans140.7119.9143.4-158.672.1138.800115.6
499E27.7Very low27.3Very low132 Ų132152.1 Ų152.162%0.61777%0.768SS**  trans53.8164.4149-67.8-167.6140.100122.1
500R27.9Very low27.3Very low216 Ų216146.9 Ų146.982%0.81576%0.763SS**  cis-154.3166.2-6.4-129.3177.2-139.9178.217.2110.7
501G23.3Very low28.1Very low73 Ų73148 Ų14875%0.75377%0.768SS**  trans-178.8153.9167.800000113.1
502S23.8Very low27.9Very low123 Ų123144.9 Ų144.986%0.8677%0.767SS**  trans-148.6157.1-168.855.10000116.5
503S25Very low28.1Very low114 Ų114148.3 Ų148.380%0.79778%0.777SS**  trans-45.2165.6177.8-37.60000116.9
504P46Very low28Very low119 Ų119149.7 Ų149.777%0.77378%0.784SS**  cis-138.3-172.548.638.1-15.1000114.8
505T27.1Very low28.2Very low128 Ų128150.1 Ų150.179%0.78579%0.791SS**  cis-143.3153.119420000115.8
506H27.4Very low28Very low147 Ų147144.5 Ų144.568%0.68179%0.791SS**  trans-9159.1147.8-88.6-117.4000121.2
507Y29.6Very low27.9Very low194 Ų194141.1 Ų141.176%0.76179%0.788SS**  cis-136.4-162.617-112.5-65.8000109.5
508T27.2Very low27.8Very low115 Ų115136.4 Ų136.471%0.70678%0.78SS**  cis-164.1171.22.8-0.10000106.1
509L27Very low27.7Very low145 Ų145135.9 Ų135.976%0.75979%0.785SS**  cis-161.8144.8-19.5-145.2177.4000106
510V28.6Very low27.5Very low137 Ų137134.6 Ų134.683%0.8379%0.79SS**  trans-148.2128.8-178.2174.50000112.5
511P42.3Very low27.3Very low116 Ų116129.6 Ų129.675%0.75379%0.788SS**  -151.6160.7129.639.2-23.6000116.7
512A23.6Very low27.4Very low104 Ų104131.1 Ų131.186%0.8679%0.787SS**  trans142.2134.8131.900000116.2
513L28.8Very low27.4Very low160 Ų160131.8 Ų131.884%0.83878%0.781SS**  trans-166.6128.7177.1-147.9-176.6000108.3
514E23.4Very low27.4Very low193 Ų193131.8 Ų131.890%0.90278%0.781SS**  trans-167-175.2160.6-122.3168.3-142.200114.8
515V27.1Very low26.3Very low133 Ų133130.4 Ų130.481%0.80678%0.78SS**  trans-134.5148.1-152.8179.60000113.8
516A22.6Very low26.2Very low100 Ų100129.2 Ų129.283%0.82678%0.777SS**  trans-149.6166.1165.200000112.4
517M24.5Very low26.1Very low177 Ų177129.3 Ų129.387%0.87278%0.782SS**  trans-152.9149.6-165.1-159.1178.7-178.900113.8
518S25Very low25.8Very low97 Ų97129 Ų12968%0.67878%0.78SS**  trans86.3153.7159.1-56.70000122.7
519T24.3Very low25.9Very low131 Ų131130.6 Ų130.680%0.80478%0.779SS**  trans96.8118158.170.50000122.9
520S23.1Very low25.7Very low105 Ų105128.7 Ų128.773%0.73477%0.774SS**  trans60.5131.5136.7580000126.3
521S23.7Very low25.6Very low110 Ų110131.7 Ų131.777%0.76978%0.776SS**  trans75.9123.3133.963.30000124.5
522S25.2Very low24.6Very low106 Ų106132.3 Ų132.374%0.74177%0.769SS**  trans57.6127.9136.4-91.40000125.4
523D23.8Very low24.7Very low136 Ų136136.5 Ų136.573%0.72776%0.762SS**  72.6115.3129.7-66.1-54.6000124.6
524S25.6Very low24.4Very low114 Ų114134.5 Ų134.580%0.79776%0.762SS**  89.7154.6127.580.10000121.9
525A23Very low24.4Very low91 Ų91130 Ų13075%0.75275%0.751SS**  trans51.8117.1165.100000119.1
526S24.1Very low24.3Very low102 Ų102131.6 Ų131.671%0.71375%0.752SS**  73.2111.857.9179.20000115.2
527L24.6Very low24.5Very low150 Ų150134.7 Ų134.779%0.78575%0.754SS**  trans-175.3120.5139.3-93.1162.4000106.1
528Y24.4Very low24.4Very low187 Ų187130.9 Ų130.973%0.73375%0.745SS**  71.9138.985.7-85.3-128000114.2
529H28.8Very low24.4Very low148 Ų148137 Ų13769%0.68575%0.753SS**  cis-170.3-179.6-8.5-146.8-117.5000111.1
530V23.8Very low24.7Very low105 Ų105136.3 Ų136.364%0.63675%0.753SS**  trans78.9110.1161.8-166.50000119.5
531F25Very low24.9Very low201 Ų201141.8 Ų141.888%0.88276%0.764SS**  -153.9125.6100.5-121.3-89.4000112.3
532E22.2Very low25.3Very low129 Ų129146.3 Ų146.360%0.60377%0.77SS**  trans-74.7178.9163.1-64.8-1749300109.4
533R25.1Very low25.4Very low191 Ų191151.2 Ų151.272%0.72178%0.778SS**  cis-155.8156.36.6-139.9164.2-128.3170.97.1105.7
534S23.6Very low25.6Very low118 Ų118153.1 Ų153.183%0.82578%0.779SS**  179.1159.298.4-73.20000109.8
535S22Very low25.7Very low98 Ų98156 Ų15669%0.68578%0.78SS**  trans-152.3162.5-171.665.50000114.7
536M25.6Very low25.8Very low168 Ų168156.7 Ų156.783%0.82879%0.786SS**  trans80.5159161.1-58.5-162.5-76.800120.3
537L26.4Very low25.9Very low165 Ų165156.8 Ų156.886%0.86479%0.793SS**  trans80.2136.6167.4-53.8177.3000117.5
538S24.1Very low26.1Very low96 Ų96155.2 Ų155.267%0.67180%0.795SS**  cis-163155.3-15.162.20000115.7
539R24.9Very low26.6Very low226 Ų226151.9 Ų151.985%0.85380%0.796SS**  trans38.5106.7140.6-68.2166.361.2171.2-0.8121.1
540S29.5Very low26.8Very low116 Ų116153.9 Ų153.981%0.81181%0.808SS**  36.9120.1113.3-42.60000120.9
541K27.4Very low27.3Very low220 Ų220154.4 Ų154.496%0.95782%0.817SS**  trans-131.2150.5145.1-85-174.9178.6174.20111
542K33.2Very low27.9Very low205 Ų205150.6 Ų150.689%0.89182%0.815SS**  trans-139.3126.3-175.2176-179.9-177.9175.80107.9
543K25.7Very low28.5Very low210 Ų210150.2 Ų150.291%0.91382%0.815SS**  trans-123.1141173.3-155.5179.7176.8-175.60110.8
544K27.7Very low29Very low175 Ų175145.3 Ų145.376%0.76181%0.81SS**  trans-86.8169.6173.5-66.4-179.3-175.3-179.30109.3
545Q29.5Very low30.3Very low174 Ų174148.1 Ų148.181%0.81381%0.808SS**  cis177.4129.5-23.8172.3179.822.300105.3
546A23.8Very low31.6Very low106 Ų106153.9 Ų153.988%0.87681%0.814SS**  trans-150.7152.2168.500000108.3
547A27.7Very low32.8Very low104 Ų104153 Ų15386%0.8680%0.802SS**  trans-139.9128.6-168.700000113.5
548S27.1Very low34.7Very low118 Ų118146.4 Ų146.483%0.82577%0.767SS**  trans-145.3161.6156.170.20000108.2
549P35.7Very low36.4Very low117 Ų117142.5 Ų142.576%0.7674%0.74SS**  trans-102.5170.2-137.537.6-38.1000117.4
550M32.3Very low38Very low189 Ų189132.4 Ų132.493%0.93170%0.704SS**  trans69.266.1164.2-56.8-144.9-62.700118.5
551S34.2Very low39.4Very low117 Ų117135.6 Ų135.682%0.81870%0.698SS**  trans-134.186.4151.6-172.40000111.7
552S37.5Very low41Very low120 Ų120130 Ų13084%0.83968%0.679SS**  trans168.658.6151.844.90000114.4
553I36.1Very low42.3Very low121 Ų121120.6 Ų120.662%0.62164%0.638SS**  trans-77.1137.5156.6-148.8167.5000109.1K555I553-K555 PolarHBondContact O-N 3.26Å; I553-K555 VanDerWaalsContact O-N 3.16Å
554S34.5Very low44Very low88 Ų88112.5 Ų112.562%0.61562%0.615SS**  trans-69.6113.3-171-1740000111.2R556S554-R556 PolarHBondContact O-N 3.05Å
555K52.6Low45.4Very low178 Ų178113 Ų11377%0.77462%0.62SS**THydrogen-bonded Turntrans-67.436.4-174.7-59.3-173.9177.2-175.20115.2I553I553-K555 PolarHBondContact O-N 3.26Å; I553-K555 VanDerWaalsContact O-N 3.16Å
556R48.3Very low47Very low218 Ų218105.3 Ų105.382%0.82359%0.586SS**THydrogen-bonded Turntrans-134.4-15.1-177.1-66-172.6178.5177.11.1115S554S554-R556 PolarHBondContact O-N 3.05Å
557R50.6Low49.3Very low149 Ų149104.2 Ų104.256%0.56257%0.566SS**  trans-146.8125.5165.8-66.2-177.669.1170.5-0.6107.9E607 K608R557-E607 IonicContact CZ-OE2 2.7Å; R557-E607 IonicContact NH2-OE2 3.2Å; R557-E607 PolarHBondContact NH2-OE2 3.43Å; R557-K608 HydrophobicContact CG-CG 4.49Å
558I66.6Low51.8Low27 Ų2799.7 Ų99.714%0.13853%0.528CS..  trans-140.9121.4171.3-51.3177.6000105D562 L563 Y599 Y601I558-D562 HydrophobicContact CG2-CB 3.93Å; I558-L563 HydrophobicContact CG2-CD2 4.08Å; I558-L563 HydrophobicContact CG2-CG 3.89Å; I558-Y599 HydrophobicContact CD1-CE1 4.05Å; I558-Y601 WeakPolarHBondContact O-CE1 3.44Å; I558-Y601 PolarHBondContact O-OH 3.22Å
559S59Low54.6Low14 Ų1498.4 Ų98.410%0.09851%0.509CS..  trans-76.2163.4177.571.70000111.7R561 D562 L563 Y601 E607S559-R561 PolarHBondContact O-N 2.82Å; S559-R561 PolarHBondContact OG-N 3.1Å; S559-D562 VanDerWaalsContact CB-OD2 3.22Å; S559-D562 WeakPolarHBondContact CB-OD2 3.47Å; S559-D562 PolarHBondContact N-OD2 2.79Å; S559-D562 PolarHBondContact O-N 2.99Å; S559-D562 PolarHBondContact OG-N 3.4Å; S559-D562 PolarHBondContact OG-OD2 2.89Å; S559-L563 PolarHBondContact O-N 3.25Å; S559-Y601 PolarHBondContact O-OH 3.31Å; S559-E607 WeakPolarHBondContact CA-O 3.43Å
560C58.3Low57.1Low15 Ų1593.4 Ų93.410%0.10148%0.479CS..THydrogen-bonded Turntrans-50.6-37.3164.651.10000112.8Y601 E604 E605 D606C560-Y601 HydrophobicContact CB-CE1 4.48Å; C560-E604 VanDerWaalsContact CB-O 3.25Å; C560-E604 WeakPolarHBondContact CB-O 3.42Å; C560-E604 PolarHBondContact SG-O 3.18Å; C560-E605 VanDerWaalsContact SG-CA 3.54Å; C560-D606 PolarHBondContact N-O 3.32Å; C560-D606 VanDerWaalsContact N-O 3.12Å; C560-D606 PolarHBondContact SG-O 3.11Å
561R59.1Low59.8Low182 Ų18288.2 Ų88.269%0.68745%0.449SS*.THydrogen-bonded Turntrans-78.7-34.9-177.1-60.6-178.1-176-168.70.9112.4S559 L563 G564 E605S559-R561 PolarHBondContact O-N 2.82Å; S559-R561 PolarHBondContact OG-N 3.1Å; R561-L563 VanDerWaalsContact C-N 3.3Å; R561-L563 PolarHBondContact O-N 3.38Å; R561-G564 PolarHBondContact O-N 3.26Å; R561-E605 IonicContact CZ-OE1 2.7Å; R561-E605 IonicContact NH2-OE1 3.96Å; R561-E605 PolarHBondContact NH2-OE1 3.25Å
562D61.4Low62.4Low102 Ų10282.7 Ų82.755%0.54541%0.41SS..THydrogen-bonded Turntrans-68.9-24.2177.7-58-50.2000113.5I558 S559 G564I558-D562 HydrophobicContact CG2-CB 3.93Å; S559-D562 VanDerWaalsContact CB-OD2 3.22Å; S559-D562 WeakPolarHBondContact CB-OD2 3.47Å; S559-D562 PolarHBondContact N-OD2 2.79Å; S559-D562 PolarHBondContact O-N 2.99Å; S559-D562 PolarHBondContact OG-N 3.4Å; S559-D562 PolarHBondContact OG-OD2 2.89Å; D562-G564 VanDerWaalsContact C-N 3.3Å
563L61.5Low64.8Low9 Ų980.1 Ų80.15%0.04738%0.382CS..THydrogen-bonded Turntrans-70.5-28.1175.4-79.1172000112.3I558 S559 R561 I592 K594 Y599 Y601I558-L563 HydrophobicContact CG2-CD2 4.08Å; I558-L563 HydrophobicContact CG2-CG 3.89Å; S559-L563 PolarHBondContact O-N 3.25Å; R561-L563 VanDerWaalsContact C-N 3.3Å; R561-L563 PolarHBondContact O-N 3.38Å; L563-I592 HydrophobicContact CD1-CB 4.2Å; L563-I592 HydrophobicContact CD1-CD1 4.05Å; L563-I592 HydrophobicContact CD1-CG2 4.14Å; L563-K594 HydrophobicContact CD2-CD 4.03Å; L563-K594 WeakPolarHBondContact O-CD 3.37Å; L563-K594 PolarHBondContact O-NZ 3.09Å; L563-Y599 HydrophobicContact CD1-CD1 4.5Å; L563-Y599 HydrophobicContact CD1-CD2 3.94Å; L563-Y599 HydrophobicContact CD1-CG 3.92Å; L563-Y599 HydrophobicContact CD2-CD2 4Å; L563-Y599 HydrophobicContact CD2-CE2 3.82Å; L563-Y601 HydrophobicContact CD1-CE2 3.87Å; L563-Y601 WeakPolarHBondContact CD1-OH 3.38Å
564G61.5Low67.3Low40 Ų4075.2 Ų75.241%0.41236%0.356SS..  trans67-163.6-167.400000112.4R561 D562 G566R561-G564 PolarHBondContact O-N 3.26Å; D562-G564 VanDerWaalsContact C-N 3.3Å; G564-G566 PolarHBondContact O-N 3.37Å
565Q55.7Low69.7Low186 Ų18673.4 Ų73.487%0.86934%0.338SS*.SBendtrans-73.2110.8179.1-169171.21700110.4
566G64.3Low71Confident11 Ų1171.5 Ų71.511%0.11333%0.329CS..  trans-81.8155.4-179.200000114G564 C568 L593G564-G566 PolarHBondContact O-N 3.37Å; G566-C568 PolarHBondContact O-N 3.23Å; G566-C568 VanDerWaalsContact O-N 3.1Å; G566-L593 CarbonylContact C-O 3.51Å; G566-L593 VanDerWaalsContact CA-O 3.29Å; G566-L593 WeakPolarHBondContact CA-O 3.43Å
567D71.3Confident71.6Confident84 Ų8465.2 Ų65.245%0.44931%0.312SS..SBendtrans-57.2-25.5-179.3-56.7-73.8000113.9L593 K594 D595 R658D567-L593 PolarHBondContact N-O 2.92Å; D567-K594 VanDerWaalsContact OD2-CA 3.31Å; D567-K594 WeakPolarHBondContact OD2-CA 3.43Å; D567-D595 PolarHBondContact OD2-N 3.39Å; D567-R658 PolarHBondContact O-NH1 3.24Å
568C80.9Confident71.6Confident9 Ų960.7 Ų60.76%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-152.1127.1164.8-163.60000109.7G566 L593 W655 R658G566-C568 PolarHBondContact O-N 3.23Å; G566-C568 VanDerWaalsContact O-N 3.1Å; C568-L593 HydrophobicContact CB-CB 4.07Å; C568-L593 HydrophobicContact CB-CD2 4.16Å; C568-L593 PolarHBondContact N-O 3.21Å; C568-L593 PolarHBondContact O-N 3.06Å; C568-W655 HydrophobicContact CB-CE3 4.24Å; C568-W655 HydrophobicContact CB-CH2 4.25Å; C568-W655 HydrophobicContact CB-CZ3 3.96Å; C568-W655 WeakPolarHBondContact O-CH2 3.44Å; C568-R658 HydrophobicContact CB-CB 3.88Å; C568-R658 HydrophobicContact CB-CG 4Å
569Q85.6Confident70.8Confident90 Ų9069.3 Ų69.342%0.42134%0.343SS..EExtended strand (participates in β ladder)trans-131.6150.9175.568-17631.400111.2W590 F591 I592Q569-W590 HydrophobicContact CB-CZ2 3.8Å; Q569-W590 HydrophobicContact CG-CH2 4.33Å; Q569-W590 HydrophobicContact CG-CZ2 3.78Å; Q569-F591 VanDerWaalsContact CA-O 3.26Å; Q569-F591 WeakPolarHBondContact CA-O 3.46Å; Q569-I592 HydrophobicContact CB-CG1 4.29Å
570G87.1Confident69.8Low13 Ų1373.2 Ų73.213%0.13437%0.366CS..EExtended strand (participates in β ladder)trans159.5165.1-176.900000113.7W590 F591G570-W590 VanDerWaalsContact C-CE3 3.44Å; G570-W590 VanDerWaalsContact CA-CZ3 3.4Å; G570-F591 PolarHBondContact N-O 2.81Å; G570-F591 PolarHBondContact O-N 2.9Å
571W88.9Confident69.4Low79 Ų7982.5 Ų82.530%0.29940%0.401SS..EExtended strand (participates in β ladder)trans-74.7134.3174.6-69.398.1000112.3K588 Y589 W590 M602 E604W571-K588 HydrophobicContact CB-CD 4.49Å; W571-K588 HydrophobicContact CB-CG 4.44Å; W571-K588 HydrophobicContact CD2-CD 4.45Å; W571-K588 HydrophobicContact CD2-CG 4.42Å; W571-K588 HydrophobicContact CE3-CD 4.17Å; W571-K588 HydrophobicContact CE3-CG 3.74Å; W571-K588 HydrophobicContact CZ3-CG 4.41Å; W571-Y589 WeakPolarHBondContact CA-O 3.42Å; W571-W590 AromaticContact CD1-CE3 3.54Å; W571-W590 AromaticContact CD1-CZ3 3.55Å; W571-W590 HydrophobicContact CD2-CB 4.5Å; W571-W590 AromaticContact CD2-CE3 3.91Å; W571-W590 HydrophobicContact CD2-CE3 3.91Å; W571-W590 AromaticContact CE2-CE3 3.78Å; W571-W590 HydrophobicContact CE3-CB 4.24Å; W571-W590 AromaticContact CG-CE3 3.78Å; W571-W590 HydrophobicContact CG-CE3 3.78Å; W571-W590 HydrophobicContact CG-CZ3 4.18Å; W571-W590 HydrophobicContact CH2-CB 4.31Å; W571-W590 HydrophobicContact CZ2-CE3 4.5Å; W571-W590 HydrophobicContact CZ3-CB 4.16Å; W571-W590 AromaticContact NE1-CE3 3.49Å; W571-W590 AromaticContact NE1-CZ3 3.66Å; W571-M602 WeakPolarHBondContact CH2-O 3.38Å; W571-E604 VanDerWaalsContact CE2-OE1 3.29Å; W571-E604 HydrophobicContact CZ2-CG 3.9Å; W571-E604 WeakPolarHBondContact CZ2-OE1 3.45Å; W571-E604 PolarHBondContact NE1-OE1 3.14Å
572L89.2Confident68.6Low1 Ų183.6 Ų83.61%0.00541%0.411CS..EExtended strand (participates in β ladder)trans-135.9156167.9-65.9171.7000111.2Y589 F591 F632 A646 W655L572-Y589 PolarHBondContact N-O 3.29Å; L572-Y589 PolarHBondContact O-N 3.37Å; L572-F591 HydrophobicContact CB-CD2 3.57Å; L572-F591 HydrophobicContact CB-CE2 3.65Å; L572-F591 HydrophobicContact CB-CG 4.4Å; L572-F591 HydrophobicContact CD1-CB 4.38Å; L572-F591 HydrophobicContact CD1-CD2 4.1Å; L572-F591 HydrophobicContact CD1-CE2 4.49Å; L572-F591 HydrophobicContact CD1-CG 4.12Å; L572-F591 HydrophobicContact CG-CD2 4.18Å; L572-F632 HydrophobicContact CD1-CE1 4.34Å; L572-F632 HydrophobicContact CD1-CZ 3.78Å; L572-F632 HydrophobicContact CD2-CE1 4.14Å; L572-F632 HydrophobicContact CD2-CZ 4.39Å; L572-A646 HydrophobicContact CD2-CB 3.74Å; L572-W655 HydrophobicContact CD1-CD2 3.79Å; L572-W655 HydrophobicContact CD1-CE3 4.25Å; L572-W655 HydrophobicContact CD1-CG 4.08Å; L572-W655 HydrophobicContact CD1-CZ2 4.1Å; L572-W655 HydrophobicContact CD2-CG 4.25Å; L572-W655 HydrophobicContact CG-CD2 4.44Å; L572-W655 HydrophobicContact CG-CZ2 4.35Å
573W88.4Confident67.8Low66 Ų6681.5 Ų81.525%0.2540%0.404CS..EExtended strand (participates in β ladder)trans-91.2118.4172.4-65.483.7000109.9W586 K588 F644 A645 E647W573-W586 HydrophobicContact CB-CE3 4.03Å; W573-W586 HydrophobicContact CE3-CB 4.25Å; W573-W586 WeakPolarHBondContact O-CZ3 3.35Å; W573-K588 HydrophobicContact CD2-CB 4.01Å; W573-K588 HydrophobicContact CD2-CG 4.25Å; W573-K588 HydrophobicContact CE3-CB 3.94Å; W573-K588 HydrophobicContact CH2-CB 3.98Å; W573-K588 HydrophobicContact CH2-CD 4.42Å; W573-K588 HydrophobicContact CZ2-CB 4.03Å; W573-K588 HydrophobicContact CZ2-CD 3.79Å; W573-K588 HydrophobicContact CZ2-CG 4.14Å; W573-K588 HydrophobicContact CZ3-CB 3.94Å; W573-F644 CarbonylContact O-C 3.58Å; W573-F644 VanDerWaalsContact O-CA 3.24Å; W573-F644 WeakPolarHBondContact O-CA 3.2Å; W573-A645 HydrophobicContact CB-CB 4.33Å; W573-A645 PolarHBondContact N-O 3.47Å; W573-A645 PolarHBondContact O-N 2.86Å; W573-E647 PolarHBondContact NE1-OE1 3.32Å
574K88.8Confident67.7Low18 Ų1886.9 Ų86.98%0.07843%0.429CS..EExtended strand (participates in β ladder)trans-97.7135.8173.4-165.1174.4-172.3165.20110.3K576 W586 K587 Y589 F591 W600 F644K574-K576 PolarHBondContact O-N 2.85Å; K574-W586 WeakPolarHBondContact O-CA 3.3Å; K574-K587 PolarHBondContact N-O 2.88Å; K574-K587 PolarHBondContact O-N 3.18Å; K574-Y589 HydrophobicContact CB-CD2 3.7Å; K574-Y589 HydrophobicContact CB-CE2 3.78Å; K574-Y589 HydrophobicContact CD-CE2 4.46Å; K574-F591 HydrophobicContact CB-CZ 4.14Å; K574-F591 HydrophobicContact CD-CZ 4.16Å; K574-F591 HydrophobicContact CG-CZ 4.45Å; K574-W600 VanDerWaalsContact NZ-CZ3 3.26Å; K574-F644 HydrophobicContact CB-CD1 4.38Å; K574-F644 HydrophobicContact CD-CE1 4.06Å; K574-F644 HydrophobicContact CG-CD1 4.1Å; K574-F644 HydrophobicContact CG-CE1 3.93Å
575K85.6Confident68.3Low51 Ų5192.2 Ų92.222%0.22244%0.441CS..EExtended strand (participates in β ladder)trans-73.9121.7170.9-165.7176.2-175.6175.50109W586 Y643K575-W586 HydrophobicContact CB-CD2 4.11Å; K575-W586 HydrophobicContact CB-CE3 3.96Å; K575-W586 HydrophobicContact CB-CH2 4.02Å; K575-W586 HydrophobicContact CB-CZ2 4.15Å; K575-W586 HydrophobicContact CB-CZ3 3.91Å; K575-W586 HydrophobicContact CD-CH2 4.5Å; K575-W586 HydrophobicContact CD-CZ2 4.08Å; K575-W586 HydrophobicContact CG-CD2 4.4Å; K575-W586 HydrophobicContact CG-CZ2 4.22Å; K575-Y643 HydrophobicContact CD-CD2 4.27Å; K575-Y643 HydrophobicContact CD-CG 4.19Å; K575-Y643 PolarHBondContact N-O 2.95Å
576K78.9Confident69.6Low137 Ų13786.5 Ų86.560%0.59641%0.411SS*.PPolyproline II helixtrans-72.8140.5175.7-171.9174.4179.8177.10110.5K574 A578 K585K574-K576 PolarHBondContact O-N 2.85Å; K576-A578 PolarHBondContact O-N 3.04Å; K576-K585 WeakPolarHBondContact CB-O 3.37Å; K576-K585 PolarHBondContact N-O 2.89Å
577D61.7Low70.6Confident87 Ų8789 Ų8947%0.46542%0.419SS..PPolyproline II helixtrans-61.7118.7172.1-84.2-23.4000112.2K579 K640D577-K579 PolarHBondContact O-N 2.75Å; D577-K579 VanDerWaalsContact O-N 3.17Å; D577-K640 WeakPolarHBondContact OD1-CE 3.49Å; D577-K640 IonicContact OD1-NZ 2.69Å; D577-K640 PolarHBondContact OD1-NZ 3.13Å; D577-K640 IonicContact OD2-NZ 2.83Å; D577-K640 PolarHBondContact OD2-NZ 3.49Å
578A50.3Low71.5Confident53 Ų5388.2 Ų88.244%0.43841%0.412SS..  trans-77.496.9175.600000110.3K576 T580K576-A578 PolarHBondContact O-N 3.04Å; A578-T580 PolarHBondContact O-N 2.97Å
579K48.7Very low71.8Confident208 Ų20888.3 Ų88.390%0.90441%0.411SS*.SBendtrans-70.9-1.8164.1-72.2-166.3174.3-170.80113.3D577D577-K579 PolarHBondContact O-N 2.75Å; D577-K579 VanDerWaalsContact O-N 3.17Å
580T38.5Very low71.9Confident97 Ų9785.6 Ų85.660%0.59540%0.397SS*.SBendtrans-153.7134.2179.6-43.30000107.7A578 F582A578-T580 PolarHBondContact O-N 2.97Å; T580-F582 PolarHBondContact O-N 2.8Å
581Y49.7Very low72Confident210 Ų21085 Ų8582%0.82439%0.39SS*.THydrogen-bonded Turntrans-56.5-20.7-165.1-71.8-82.8000116.3
582F43.1Very low71.9Confident205 Ų20581.4 Ų81.490%0.89938%0.377SS*.THydrogen-bonded Turntrans-102.221.5-170.4-86.3-84.6000116.9T580T580-F582 PolarHBondContact O-N 2.8Å
583S44.2Very low71.7Confident57 Ų5781.4 Ų81.440%0.39938%0.377SS..  trans-146.272.117457.70000116.3K585S583-K585 PolarHBondContact O-N 3.28Å
584Q59.4Low71.4Confident123 Ų12381.5 Ų81.558%0.57538%0.379SS*.  trans-72.561.3166.6-59.7-17027.800112.1W586Q584-W586 PolarHBondContact O-N 3.15Å
585K74.1Confident70.9Confident152 Ų15286.3 Ų86.366%0.66141%0.406SS*.  trans-77123178.6-69.3-172.5176.6-175.10110.6K576 S583K576-K585 WeakPolarHBondContact CB-O 3.37Å; K576-K585 PolarHBondContact N-O 2.89Å; S583-K585 PolarHBondContact O-N 3.28Å
586W83.6Confident70.7Confident66 Ų6685.5 Ų85.525%0.2541%0.405CS..EExtended strand (participates in β ladder)trans-79.8147.8166-65.581.3000109.6W573 K574 K575 Q584 R628 A645W573-W586 HydrophobicContact CB-CE3 4.03Å; W573-W586 HydrophobicContact CE3-CB 4.25Å; W573-W586 WeakPolarHBondContact O-CZ3 3.35Å; K574-W586 WeakPolarHBondContact O-CA 3.3Å; K575-W586 HydrophobicContact CB-CD2 4.11Å; K575-W586 HydrophobicContact CB-CE3 3.96Å; K575-W586 HydrophobicContact CB-CH2 4.02Å; K575-W586 HydrophobicContact CB-CZ2 4.15Å; K575-W586 HydrophobicContact CB-CZ3 3.91Å; K575-W586 HydrophobicContact CD-CH2 4.5Å; K575-W586 HydrophobicContact CD-CZ2 4.08Å; K575-W586 HydrophobicContact CG-CD2 4.4Å; K575-W586 HydrophobicContact CG-CZ2 4.22Å; Q584-W586 PolarHBondContact O-N 3.15Å; W586-R628 HydrophobicContact CZ2-CB 4.33Å; W586-A645 HydrophobicContact CH2-CB 4.34Å; W586-A645 HydrophobicContact CZ3-CB 3.97Å
587K85Confident71Confident64 Ų6480.2 Ų80.228%0.27839%0.385SS..EExtended strand (participates in β ladder)trans-138.9135.3178.2177.2175.8157.7-156.40108.7K574 Y589 M602 E610K574-K587 PolarHBondContact N-O 2.88Å; K574-K587 PolarHBondContact O-N 3.18Å; K587-Y589 HydrophobicContact CB-CD2 4.4Å; K587-Y589 HydrophobicContact CB-CE2 3.74Å; K587-Y589 HydrophobicContact CD-CE1 4.2Å; K587-Y589 HydrophobicContact CD-CE2 3.85Å; K587-Y589 WeakPolarHBondContact CD-OH 3.33Å; K587-Y589 VanDerWaalsContact CE-CE1 3.49Å; K587-Y589 WeakPolarHBondContact CE-OH 3.47Å; K587-Y589 HydrophobicContact CG-CD2 4.22Å; K587-Y589 HydrophobicContact CG-CE2 3.65Å; K587-Y589 PolarHBondContact NZ-OH 3Å; K587-Y589 VanDerWaalsContact O-CD2 3.24Å; K587-Y589 WeakPolarHBondContact O-CD2 3.4Å; K587-M602 WeakPolarHBondContact CE-SD 3.27Å; K587-M602 PolarHBondContact NZ-SD 3.18Å; K587-E610 IonicContact NZ-OE1 3.57Å; K587-E610 PolarHBondContact NZ-OE1 3.42Å; K587-E610 IonicContact NZ-OE2 2.79Å; K587-E610 PolarHBondContact NZ-OE2 3.04Å
588K89.3Confident72.2Confident67 Ų6776.2 Ų76.229%0.29136%0.364SS..EExtended strand (participates in β ladder)trans-77.9139.6177.4-159.9175.7176.4160.70108.6W571 W573 E647W571-K588 HydrophobicContact CB-CD 4.49Å; W571-K588 HydrophobicContact CB-CG 4.44Å; W571-K588 HydrophobicContact CD2-CD 4.45Å; W571-K588 HydrophobicContact CD2-CG 4.42Å; W571-K588 HydrophobicContact CE3-CD 4.17Å; W571-K588 HydrophobicContact CE3-CG 3.74Å; W571-K588 HydrophobicContact CZ3-CG 4.41Å; W573-K588 HydrophobicContact CD2-CB 4.01Å; W573-K588 HydrophobicContact CD2-CG 4.25Å; W573-K588 HydrophobicContact CE3-CB 3.94Å; W573-K588 HydrophobicContact CH2-CB 3.98Å; W573-K588 HydrophobicContact CH2-CD 4.42Å; W573-K588 HydrophobicContact CZ2-CB 4.03Å; W573-K588 HydrophobicContact CZ2-CD 3.79Å; W573-K588 HydrophobicContact CZ2-CG 4.14Å; W573-K588 HydrophobicContact CZ3-CB 3.94Å; K588-E647 WeakPolarHBondContact CE-OE1 3.5Å; K588-E647 IonicContact NZ-OE1 2.78Å; K588-E647 PolarHBondContact NZ-OE1 2.83Å; K588-E647 IonicContact NZ-OE2 3.69Å; K588-E647 PolarHBondContact NZ-OE2 3.08Å
589Y88.4Confident73.9Confident11 Ų1175.4 Ų75.44%0.04335%0.349CS..EExtended strand (participates in β ladder)trans-144.3150178.8-67.2-90.7000109.4W571 L572 K574 K587 F591 W600 Y601 M602 E610W571-Y589 WeakPolarHBondContact CA-O 3.42Å; L572-Y589 PolarHBondContact N-O 3.29Å; L572-Y589 PolarHBondContact O-N 3.37Å; K574-Y589 HydrophobicContact CB-CD2 3.7Å; K574-Y589 HydrophobicContact CB-CE2 3.78Å; K574-Y589 HydrophobicContact CD-CE2 4.46Å; K587-Y589 HydrophobicContact CB-CD2 4.4Å; K587-Y589 HydrophobicContact CB-CE2 3.74Å; K587-Y589 HydrophobicContact CD-CE1 4.2Å; K587-Y589 HydrophobicContact CD-CE2 3.85Å; K587-Y589 WeakPolarHBondContact CD-OH 3.33Å; K587-Y589 VanDerWaalsContact CE-CE1 3.49Å; K587-Y589 WeakPolarHBondContact CE-OH 3.47Å; K587-Y589 HydrophobicContact CG-CD2 4.22Å; K587-Y589 HydrophobicContact CG-CE2 3.65Å; K587-Y589 PolarHBondContact NZ-OH 3Å; K587-Y589 VanDerWaalsContact O-CD2 3.24Å; K587-Y589 WeakPolarHBondContact O-CD2 3.4Å; Y589-F591 WeakPolarHBondContact O-CD2 3.45Å; Y589-W600 AromaticContact CD1-CD1 3.82Å; Y589-W600 AromaticContact CE1-CD1 3.94Å; Y589-Y601 WeakPolarHBondContact CA-O 3.23Å; Y589-Y601 WeakPolarHBondContact CB-O 3.46Å; Y589-Y601 WeakPolarHBondContact CD1-O 3.44Å; Y589-M602 HydrophobicContact CD1-SD 4.4Å; Y589-M602 HydrophobicContact CE1-SD 4.07Å; Y589-E610 HydrophobicContact CE1-CB 4.33Å; Y589-E610 VanDerWaalsContact CE1-CD 3.47Å; Y589-E610 HydrophobicContact CE1-CG 4.46Å; Y589-E610 VanDerWaalsContact CE1-OE1 3.26Å; Y589-E610 WeakPolarHBondContact CE1-OE1 3.32Å; Y589-E610 WeakPolarHBondContact CE1-OE2 3.23Å; Y589-E610 VanDerWaalsContact CZ-OE1 3.27Å; Y589-E610 PolarHBondContact OH-OE1 2.96Å
590W87.5Confident75.8Confident33 Ų3366.6 Ų66.613%0.12531%0.311CS..EExtended strand (participates in β ladder)trans-80.9124168.6-177.9-109.6000108.8Q569 G570 W571 W600 Y601 E604Q569-W590 HydrophobicContact CB-CZ2 3.8Å; Q569-W590 HydrophobicContact CG-CH2 4.33Å; Q569-W590 HydrophobicContact CG-CZ2 3.78Å; G570-W590 VanDerWaalsContact C-CE3 3.44Å; G570-W590 VanDerWaalsContact CA-CZ3 3.4Å; W571-W590 AromaticContact CD1-CE3 3.54Å; W571-W590 AromaticContact CD1-CZ3 3.55Å; W571-W590 HydrophobicContact CD2-CB 4.5Å; W571-W590 AromaticContact CD2-CE3 3.91Å; W571-W590 HydrophobicContact CD2-CE3 3.91Å; W571-W590 AromaticContact CE2-CE3 3.78Å; W571-W590 HydrophobicContact CE3-CB 4.24Å; W571-W590 AromaticContact CG-CE3 3.78Å; W571-W590 HydrophobicContact CG-CE3 3.78Å; W571-W590 HydrophobicContact CG-CZ3 4.18Å; W571-W590 HydrophobicContact CH2-CB 4.31Å; W571-W590 HydrophobicContact CZ2-CE3 4.5Å; W571-W590 HydrophobicContact CZ3-CB 4.16Å; W571-W590 AromaticContact NE1-CE3 3.49Å; W571-W590 AromaticContact NE1-CZ3 3.66Å; W590-W600 CarbonylContact O-C 3.35Å; W590-W600 VanDerWaalsContact O-CA 3.28Å; W590-W600 WeakPolarHBondContact O-CA 3.37Å; W590-Y601 PolarHBondContact N-O 3.02Å; W590-Y601 PolarHBondContact O-N 3.26Å; W590-E604 HydrophobicContact CB-CG 4.3Å; W590-E604 HydrophobicContact CD2-CG 3.64Å; W590-E604 HydrophobicContact CE3-CG 3.78Å; W590-E604 HydrophobicContact CG-CG 3.87Å; W590-E604 HydrophobicContact CZ3-CG 4.25Å
591F88.3Confident77.9Confident0 Ų062 Ų620%028%0.282CS..EExtended strand (participates in β ladder)trans-107.2142.4178.3-78.2-102.1000110.7Q569 G570 L572 K574 Y589 L598 Y599 W600 F644 W655Q569-F591 VanDerWaalsContact CA-O 3.26Å; Q569-F591 WeakPolarHBondContact CA-O 3.46Å; G570-F591 PolarHBondContact N-O 2.81Å; G570-F591 PolarHBondContact O-N 2.9Å; L572-F591 HydrophobicContact CB-CD2 3.57Å; L572-F591 HydrophobicContact CB-CE2 3.65Å; L572-F591 HydrophobicContact CB-CG 4.4Å; L572-F591 HydrophobicContact CD1-CB 4.38Å; L572-F591 HydrophobicContact CD1-CD2 4.1Å; L572-F591 HydrophobicContact CD1-CE2 4.49Å; L572-F591 HydrophobicContact CD1-CG 4.12Å; L572-F591 HydrophobicContact CG-CD2 4.18Å; K574-F591 HydrophobicContact CB-CZ 4.14Å; K574-F591 HydrophobicContact CD-CZ 4.16Å; K574-F591 HydrophobicContact CG-CZ 4.45Å; Y589-F591 WeakPolarHBondContact O-CD2 3.45Å; F591-L598 HydrophobicContact CB-CD1 4.25Å; F591-L598 HydrophobicContact CD1-CD1 3.85Å; F591-L598 HydrophobicContact CD1-CD2 3.97Å; F591-L598 HydrophobicContact CD1-CG 3.86Å; F591-L598 HydrophobicContact CE1-CD2 4.19Å; F591-L598 HydrophobicContact CE1-CG 4.42Å; F591-Y599 WeakPolarHBondContact CA-O 3.45Å; F591-W600 HydrophobicContact CD1-CB 3.72Å; F591-W600 HydrophobicContact CD2-CB 4.25Å; F591-W600 HydrophobicContact CE1-CB 3.63Å; F591-W600 HydrophobicContact CE1-CD2 4.32Å; F591-W600 HydrophobicContact CE1-CE3 4.09Å; F591-W600 HydrophobicContact CE1-CG 4.16Å; F591-W600 HydrophobicContact CE2-CB 4.18Å; F591-W600 HydrophobicContact CG-CB 4.06Å; F591-W600 HydrophobicContact CZ-CB 3.87Å; F591-W600 HydrophobicContact CZ-CG 4.31Å; F591-F644 HydrophobicContact CE1-CD1 4Å; F591-F644 AromaticContact CE1-CE1 3.51Å; F591-F644 HydrophobicContact CE1-CE1 3.51Å; F591-F644 HydrophobicContact CE1-CZ 4.3Å; F591-F644 AromaticContact CZ-CD1 3.68Å; F591-F644 HydrophobicContact CZ-CD1 3.68Å; F591-F644 AromaticContact CZ-CE1 3.52Å; F591-F644 HydrophobicContact CZ-CE1 3.52Å; F591-W655 HydrophobicContact CB-CH2 3.57Å; F591-W655 HydrophobicContact CB-CZ2 3.88Å; F591-W655 HydrophobicContact CB-CZ3 4.4Å
592I87.3Confident79.4Confident3 Ų355.9 Ų55.92%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-132.3114.4173-53.5177000107.4L563 Q569 Y599 Y601L563-I592 HydrophobicContact CD1-CB 4.2Å; L563-I592 HydrophobicContact CD1-CD1 4.05Å; L563-I592 HydrophobicContact CD1-CG2 4.14Å; Q569-I592 HydrophobicContact CB-CG1 4.29Å; I592-Y599 PolarHBondContact N-O 3.24Å; I592-Y599 PolarHBondContact O-N 3.29Å; I592-Y601 HydrophobicContact CD1-CD2 4.27Å; I592-Y601 HydrophobicContact CD1-CE2 4.02Å; I592-Y601 HydrophobicContact CG1-CE2 4.48Å
593L84.7Confident80.9Confident2 Ų250.3 Ų50.31%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-84.8130.1164.2176.863000108.2G566 D567 C568 L598 L615 W655 R658 L659 A662G566-L593 CarbonylContact C-O 3.51Å; G566-L593 VanDerWaalsContact CA-O 3.29Å; G566-L593 WeakPolarHBondContact CA-O 3.43Å; D567-L593 PolarHBondContact N-O 2.92Å; C568-L593 HydrophobicContact CB-CB 4.07Å; C568-L593 HydrophobicContact CB-CD2 4.16Å; C568-L593 PolarHBondContact N-O 3.21Å; C568-L593 PolarHBondContact O-N 3.06Å; L593-L598 HydrophobicContact CB-CD1 4.06Å; L593-L598 HydrophobicContact CD1-CB 4.41Å; L593-L615 HydrophobicContact CD1-CD1 3.57Å; L593-W655 HydrophobicContact CB-CZ3 4.1Å; L593-R658 HydrophobicContact CD2-CB 3.99Å; L593-L659 HydrophobicContact CD1-CD2 4.15Å; L593-L659 HydrophobicContact CD2-CD2 4.12Å; L593-A662 HydrophobicContact CD1-CB 4.02Å; L593-A662 HydrophobicContact CD2-CB 4.15Å
594K82.5Confident82.2Confident68 Ų6852.3 Ų52.330%0.29625%0.245SC..EExtended strand (participates in β ladder)trans-140.2132170.2-172.2179.4178.6169.60110.2L563 D567 T596 C597L563-K594 HydrophobicContact CD2-CD 4.03Å; L563-K594 WeakPolarHBondContact O-CD 3.37Å; L563-K594 PolarHBondContact O-NZ 3.09Å; D567-K594 VanDerWaalsContact OD2-CA 3.31Å; D567-K594 WeakPolarHBondContact OD2-CA 3.43Å; K594-T596 PolarHBondContact O-N 2.78Å; K594-C597 PolarHBondContact N-O 3.17Å; K594-C597 PolarHBondContact O-N 3.44Å; K594-C597 VanDerWaalsContact O-O 3.12Å
595D79.1Confident82.4Confident118 Ų11853 Ų5363%0.63125%0.248SC*.THydrogen-bonded Turntrans55.3-102.1-176.6-48-60.8000110.6D567D567-D595 PolarHBondContact OD2-N 3.39Å
596T81.4Confident82.2Confident35 Ų3547.4 Ų47.422%0.21523%0.226CC..THydrogen-bonded Turntrans-121.410.6176.3610000113.1K594 L615 P616 Y666K594-T596 PolarHBondContact O-N 2.78Å; T596-L615 WeakPolarHBondContact O-CB 3.32Å; T596-L615 PolarHBondContact O-N 3.24Å; T596-P616 HydrophobicContact CG2-CG 4.31Å; T596-Y666 HydrophobicContact CG2-CD2 4.45Å
597C84.9Confident81.2Confident25 Ų2550.6 Ų50.617%0.16924%0.243CC..EExtended strand (participates in β ladder)trans-117.5129.7-175.6-76.90000112.4K594 Y599 V613K594-C597 PolarHBondContact N-O 3.17Å; K594-C597 PolarHBondContact O-N 3.44Å; K594-C597 VanDerWaalsContact O-O 3.12Å; C597-Y599 HydrophobicContact CB-CD2 4.36Å; C597-Y599 HydrophobicContact CB-CE2 3.49Å; C597-Y599 VanDerWaalsContact CB-CE2 3.49Å; C597-V613 WeakPolarHBondContact CA-O 3.46Å
598L86.3Confident80.7Confident3 Ų353.4 Ų53.42%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-104.2114.5176.7-18068.6000110.4F591 L593 F612 V613 L615 F644 W655 L659F591-L598 HydrophobicContact CB-CD1 4.25Å; F591-L598 HydrophobicContact CD1-CD1 3.85Å; F591-L598 HydrophobicContact CD1-CD2 3.97Å; F591-L598 HydrophobicContact CD1-CG 3.86Å; F591-L598 HydrophobicContact CE1-CD2 4.19Å; F591-L598 HydrophobicContact CE1-CG 4.42Å; L593-L598 HydrophobicContact CB-CD1 4.06Å; L593-L598 HydrophobicContact CD1-CB 4.41Å; L598-F612 CarbonylContact O-C 3.52Å; L598-F612 VanDerWaalsContact O-CA 3.27Å; L598-F612 WeakPolarHBondContact O-CA 3.42Å; L598-V613 HydrophobicContact CB-CG1 3.84Å; L598-V613 HydrophobicContact CD2-CG1 4.23Å; L598-V613 HydrophobicContact CG-CG1 4.42Å; L598-V613 PolarHBondContact N-O 3.11Å; L598-V613 PolarHBondContact O-N 3.38Å; L598-L615 HydrophobicContact CB-CD1 4.23Å; L598-L615 HydrophobicContact CB-CD2 4.32Å; L598-L615 HydrophobicContact CB-CG 4.37Å; L598-F644 HydrophobicContact CD2-CZ 4.32Å; L598-W655 HydrophobicContact CD1-CH2 4.24Å; L598-W655 HydrophobicContact CD1-CZ3 3.73Å; L598-L659 HydrophobicContact CD1-CD2 4.22Å; L598-L659 HydrophobicContact CD2-CD2 4Å
599Y86.2Confident80.3Confident36 Ų3651.1 Ų51.114%0.14125%0.249CC..EExtended strand (participates in β ladder)trans-99.8152178.2-59.5-92.8000110.7I558 L563 F591 I592 C597 F612I558-Y599 HydrophobicContact CD1-CE1 4.05Å; L563-Y599 HydrophobicContact CD1-CD1 4.5Å; L563-Y599 HydrophobicContact CD1-CD2 3.94Å; L563-Y599 HydrophobicContact CD1-CG 3.92Å; L563-Y599 HydrophobicContact CD2-CD2 4Å; L563-Y599 HydrophobicContact CD2-CE2 3.82Å; F591-Y599 WeakPolarHBondContact CA-O 3.45Å; I592-Y599 PolarHBondContact N-O 3.24Å; I592-Y599 PolarHBondContact O-N 3.29Å; C597-Y599 HydrophobicContact CB-CD2 4.36Å; C597-Y599 HydrophobicContact CB-CE2 3.49Å; C597-Y599 VanDerWaalsContact CB-CE2 3.49Å; Y599-F612 HydrophobicContact CD1-CB 3.47Å; Y599-F612 VanDerWaalsContact CD1-CB 3.47Å; Y599-F612 HydrophobicContact CD1-CG 4.41Å; Y599-F612 HydrophobicContact CE1-CB 3.63Å; Y599-F612 HydrophobicContact CE1-CG 4.14Å; Y599-F612 HydrophobicContact CG-CB 4.18Å
600W87.6Confident79.8Confident24 Ų2455.4 Ų55.49%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-138.8140.5170.866.285.7000113.6K574 Y589 W590 F591 A609 E610 G611 F612 V613K574-W600 VanDerWaalsContact NZ-CZ3 3.26Å; Y589-W600 AromaticContact CD1-CD1 3.82Å; Y589-W600 AromaticContact CE1-CD1 3.94Å; W590-W600 CarbonylContact O-C 3.35Å; W590-W600 VanDerWaalsContact O-CA 3.28Å; W590-W600 WeakPolarHBondContact O-CA 3.37Å; F591-W600 HydrophobicContact CD1-CB 3.72Å; F591-W600 HydrophobicContact CD2-CB 4.25Å; F591-W600 HydrophobicContact CE1-CB 3.63Å; F591-W600 HydrophobicContact CE1-CD2 4.32Å; F591-W600 HydrophobicContact CE1-CE3 4.09Å; F591-W600 HydrophobicContact CE1-CG 4.16Å; F591-W600 HydrophobicContact CE2-CB 4.18Å; F591-W600 HydrophobicContact CG-CB 4.06Å; F591-W600 HydrophobicContact CZ-CB 3.87Å; F591-W600 HydrophobicContact CZ-CG 4.31Å; W600-A609 CarbonylContact O-C 3.55Å; W600-A609 WeakPolarHBondContact O-CA 3.36Å; W600-E610 PolarHBondContact O-N 2.71Å; W600-G611 PolarHBondContact N-O 3.28Å; W600-F612 VanDerWaalsContact CZ3-C 3.45Å; W600-V613 HydrophobicContact CZ3-CB 4.3Å; W600-V613 HydrophobicContact CZ3-CG1 4.19Å
601Y84.2Confident79.5Confident0 Ų054.6 Ų54.60%027%0.272CS..EExtended strand (participates in β ladder)trans-125.6156-173.3-62.4-95.3000110.2I558 S559 C560 L563 Y589 W590 I592 N603 D606 A609I558-Y601 WeakPolarHBondContact O-CE1 3.44Å; I558-Y601 PolarHBondContact O-OH 3.22Å; S559-Y601 PolarHBondContact O-OH 3.31Å; C560-Y601 HydrophobicContact CB-CE1 4.48Å; L563-Y601 HydrophobicContact CD1-CE2 3.87Å; L563-Y601 WeakPolarHBondContact CD1-OH 3.38Å; Y589-Y601 WeakPolarHBondContact CA-O 3.23Å; Y589-Y601 WeakPolarHBondContact CB-O 3.46Å; Y589-Y601 WeakPolarHBondContact CD1-O 3.44Å; W590-Y601 PolarHBondContact N-O 3.02Å; W590-Y601 PolarHBondContact O-N 3.26Å; I592-Y601 HydrophobicContact CD1-CD2 4.27Å; I592-Y601 HydrophobicContact CD1-CE2 4.02Å; I592-Y601 HydrophobicContact CG1-CE2 4.48Å; Y601-N603 WeakPolarHBondContact CB-O 3.18Å; Y601-D606 HydrophobicContact CD1-CB 3.77Å; Y601-A609 HydrophobicContact CD1-CB 4.2Å; Y601-A609 VanDerWaalsContact CE1-CA 3.46Å; Y601-A609 HydrophobicContact CE1-CB 3.77Å; Y601-A609 HydrophobicContact CE2-CB 4.18Å
602M80Confident79.3Confident81 Ų8160 Ų6040%0.39930%0.295SS..SBendtrans-72.3-44.7173.7-75.6-77.3-70.200110.9W571 K587 Y589 D606W571-M602 WeakPolarHBondContact CH2-O 3.38Å; K587-M602 WeakPolarHBondContact CE-SD 3.27Å; K587-M602 PolarHBondContact NZ-SD 3.18Å; Y589-M602 HydrophobicContact CD1-SD 4.4Å; Y589-M602 HydrophobicContact CE1-SD 4.07Å; M602-D606 VanDerWaalsContact CA-OD2 3.3Å; M602-D606 WeakPolarHBondContact CA-OD2 3.5Å; M602-D606 WeakPolarHBondContact CB-OD2 3.32Å; M602-D606 PolarHBondContact N-OD2 2.98Å
603N75.1Confident79.2Confident89 Ų8960.4 Ų60.448%0.47630%0.298SS..SBendtrans-127.4160.9-178.3-43.7-71.5000109.8Y601 E605 D606Y601-N603 WeakPolarHBondContact CB-O 3.18Å; N603-E605 PolarHBondContact O-N 2.94Å; N603-D606 PolarHBondContact N-OD2 2.9Å; N603-D606 PolarHBondContact ND2-OD1 3.44Å; N603-D606 PolarHBondContact O-N 2.86Å
604E70.8Confident79Confident99 Ų9963.1 Ų63.146%0.46332%0.317SS..THydrogen-bonded Turntrans-65.5-17.2177.6-68174.1-155.300113.1C560 W571 W590C560-E604 VanDerWaalsContact CB-O 3.25Å; C560-E604 WeakPolarHBondContact CB-O 3.42Å; C560-E604 PolarHBondContact SG-O 3.18Å; W571-E604 VanDerWaalsContact CE2-OE1 3.29Å; W571-E604 HydrophobicContact CZ2-CG 3.9Å; W571-E604 WeakPolarHBondContact CZ2-OE1 3.45Å; W571-E604 PolarHBondContact NE1-OE1 3.14Å; W590-E604 HydrophobicContact CB-CG 4.3Å; W590-E604 HydrophobicContact CD2-CG 3.64Å; W590-E604 HydrophobicContact CE3-CG 3.78Å; W590-E604 HydrophobicContact CG-CG 3.87Å; W590-E604 HydrophobicContact CZ3-CG 4.25Å
605E64.8Low78.9Confident136 Ų13659.9 Ų59.964%0.63630%0.303SS*.THydrogen-bonded Turntrans-107.75-175.4-56.2-155.797.900115.4C560 R561 N603 E607C560-E605 VanDerWaalsContact SG-CA 3.54Å; R561-E605 IonicContact CZ-OE1 2.7Å; R561-E605 IonicContact NH2-OE1 3.96Å; R561-E605 PolarHBondContact NH2-OE1 3.25Å; N603-E605 PolarHBondContact O-N 2.94Å; E605-E607 PolarHBondContact O-N 3.39Å
606D68.6Low78.5Confident36 Ų3656 Ų5619%0.19328%0.284CS..  trans-65.3132.2-173.7-74.9-21.8000113.6C560 Y601 M602 N603 K608C560-D606 PolarHBondContact N-O 3.32Å; C560-D606 VanDerWaalsContact N-O 3.12Å; C560-D606 PolarHBondContact SG-O 3.11Å; Y601-D606 HydrophobicContact CD1-CB 3.77Å; M602-D606 VanDerWaalsContact CA-OD2 3.3Å; M602-D606 WeakPolarHBondContact CA-OD2 3.5Å; M602-D606 WeakPolarHBondContact CB-OD2 3.32Å; M602-D606 PolarHBondContact N-OD2 2.98Å; N603-D606 PolarHBondContact N-OD2 2.9Å; N603-D606 PolarHBondContact ND2-OD1 3.44Å; N603-D606 PolarHBondContact O-N 2.86Å; D606-K608 PolarHBondContact O-N 3.18Å; D606-K608 VanDerWaalsContact O-N 3.07Å
607E63.6Low78.2Confident132 Ų13259.7 Ų59.762%0.61730%0.299SS*.SBendtrans-65.6-5.6171.4-67.8-166.6162.600114.7R557 S559 E605R557-E607 IonicContact CZ-OE2 2.7Å; R557-E607 IonicContact NH2-OE2 3.2Å; R557-E607 PolarHBondContact NH2-OE2 3.43Å; S559-E607 WeakPolarHBondContact CA-O 3.43Å; E605-E607 PolarHBondContact O-N 3.39Å
608K74.1Confident77.9Confident123 Ų12358.7 Ų58.754%0.53529%0.292SS..SBendtrans-156.5121.6-168.9-173.5-173174.4-170.20112.2R557 D606R557-K608 HydrophobicContact CG-CG 4.49Å; D606-K608 PolarHBondContact O-N 3.18Å; D606-K608 VanDerWaalsContact O-N 3.07Å
609A80.3Confident77.6Confident20 Ų2066.4 Ų66.417%0.16532%0.321CS..  trans-58138.3170.700000111.7W600 Y601 G611W600-A609 CarbonylContact O-C 3.55Å; W600-A609 WeakPolarHBondContact O-CA 3.36Å; Y601-A609 HydrophobicContact CD1-CB 4.2Å; Y601-A609 VanDerWaalsContact CE1-CA 3.46Å; Y601-A609 HydrophobicContact CE1-CB 3.77Å; Y601-A609 HydrophobicContact CE2-CB 4.18Å; A609-G611 PolarHBondContact O-N 2.99Å
610E78.8Confident77.6Confident101 Ų10165.9 Ų65.947%0.47232%0.32SS..SBendtrans-69.8-20.4167.5-163.1-175.7102.400110.3K587 Y589 W600K587-E610 IonicContact NZ-OE1 3.57Å; K587-E610 PolarHBondContact NZ-OE1 3.42Å; K587-E610 IonicContact NZ-OE2 2.79Å; K587-E610 PolarHBondContact NZ-OE2 3.04Å; Y589-E610 HydrophobicContact CE1-CB 4.33Å; Y589-E610 VanDerWaalsContact CE1-CD 3.47Å; Y589-E610 HydrophobicContact CE1-CG 4.46Å; Y589-E610 VanDerWaalsContact CE1-OE1 3.26Å; Y589-E610 WeakPolarHBondContact CE1-OE1 3.32Å; Y589-E610 WeakPolarHBondContact CE1-OE2 3.23Å; Y589-E610 VanDerWaalsContact CZ-OE1 3.27Å; Y589-E610 PolarHBondContact OH-OE1 2.96Å; W600-E610 PolarHBondContact O-N 2.71Å
611G80.3Confident77.4Confident16 Ų1666.7 Ų66.717%0.16533%0.326CS..EExtended strand (participates in β ladder)trans177.9-177.3161.100000113.5W600 A609W600-G611 PolarHBondContact N-O 3.28Å; A609-G611 PolarHBondContact O-N 2.99Å
612F84.9Confident77.4Confident113 Ų11374.3 Ų74.350%0.49636%0.355SS..EExtended strand (participates in β ladder)trans-140.8163.4176.572.8-82.8000110.7L598 Y599 W600L598-F612 CarbonylContact O-C 3.52Å; L598-F612 VanDerWaalsContact O-CA 3.27Å; L598-F612 WeakPolarHBondContact O-CA 3.42Å; Y599-F612 HydrophobicContact CD1-CB 3.47Å; Y599-F612 VanDerWaalsContact CD1-CB 3.47Å; Y599-F612 HydrophobicContact CD1-CG 4.41Å; Y599-F612 HydrophobicContact CE1-CB 3.63Å; Y599-F612 HydrophobicContact CE1-CG 4.14Å; Y599-F612 HydrophobicContact CG-CB 4.18Å; W600-F612 VanDerWaalsContact CZ3-C 3.45Å
613V84.3Confident77.4Confident12 Ų1270.6 Ų70.67%0.07334%0.337CS..EExtended strand (participates in β ladder)trans-140.6133.6169.960.80000109.6C597 L598 W600 L615 F618 F642C597-V613 WeakPolarHBondContact CA-O 3.46Å; L598-V613 HydrophobicContact CB-CG1 3.84Å; L598-V613 HydrophobicContact CD2-CG1 4.23Å; L598-V613 HydrophobicContact CG-CG1 4.42Å; L598-V613 PolarHBondContact N-O 3.11Å; L598-V613 PolarHBondContact O-N 3.38Å; W600-V613 HydrophobicContact CZ3-CB 4.3Å; W600-V613 HydrophobicContact CZ3-CG1 4.19Å; V613-L615 HydrophobicContact CG1-CD2 4.06Å; V613-F618 HydrophobicContact CG2-CD2 4.01Å; V613-F618 HydrophobicContact CG2-CE1 4.01Å; V613-F618 HydrophobicContact CG2-CE2 3.36Å; V613-F618 HydrophobicContact CG2-CZ 3.38Å; V613-F642 HydrophobicContact CB-CE2 4.33Å; V613-F642 HydrophobicContact CG2-CD2 4.43Å; V613-F642 HydrophobicContact CG2-CE2 3.92Å
614S81.9Confident77.3Confident58 Ų5872.6 Ų72.641%0.40635%0.352SS..EExtended strand (participates in β ladder)trans-84.5129.3170.7-167.40000108.7P616 F618S614-P616 WeakPolarHBondContact OG-CD 3.37Å; S614-F618 WeakPolarHBondContact O-CD2 3.16Å; S614-F618 WeakPolarHBondContact O-CE2 3.48Å
615L79.4Confident77.2Confident1 Ų173.6 Ų73.61%0.00536%0.357CS..  trans-90.7-19-170.4-60.2177.3000117.9L593 T596 L598 V613 E617 F618 L659 A662 V663L593-L615 HydrophobicContact CD1-CD1 3.57Å; T596-L615 WeakPolarHBondContact O-CB 3.32Å; T596-L615 PolarHBondContact O-N 3.24Å; L598-L615 HydrophobicContact CB-CD1 4.23Å; L598-L615 HydrophobicContact CB-CD2 4.32Å; L598-L615 HydrophobicContact CB-CG 4.37Å; V613-L615 HydrophobicContact CG1-CD2 4.06Å; L615-E617 VanDerWaalsContact C-N 3.27Å; L615-E617 PolarHBondContact O-N 3.33Å; L615-F618 HydrophobicContact CD2-CB 4.46Å; L615-F618 WeakPolarHBondContact O-CB 3.39Å; L615-F618 PolarHBondContact O-N 3.36Å; L615-L659 HydrophobicContact CD1-CD2 3.49Å; L615-L659 VanDerWaalsContact CD1-CD2 3.49Å; L615-A662 HydrophobicContact CD1-CB 4.11Å; L615-V663 HydrophobicContact CB-CG2 4.14Å
616P71.2Confident77.5Confident36 Ų3668.2 Ų68.223%0.23433%0.334CS..THydrogen-bonded Turntrans-55.4-30.7-171-31.137.5000116.6T596 S614 Y666T596-P616 HydrophobicContact CG2-CG 4.31Å; S614-P616 WeakPolarHBondContact OG-CD 3.37Å; P616-Y666 HydrophobicContact CB-CD2 4.03Å; P616-Y666 HydrophobicContact CB-CG 4.02Å; P616-Y666 HydrophobicContact CG-CD2 3.65Å; P616-Y666 HydrophobicContact CG-CE2 4.23Å; P616-Y666 HydrophobicContact CG-CG 4.11Å
617E74.3Confident77.4Confident112 Ų11279.4 Ų79.452%0.52337%0.374SS..THydrogen-bonded Turntrans-94.12.3174.8-72-175.8-104.100113.9L615 H636 K638L615-E617 VanDerWaalsContact C-N 3.27Å; L615-E617 PolarHBondContact O-N 3.33Å; E617-H636 VanDerWaalsContact C-CD2 3.49Å; E617-H636 VanDerWaalsContact CB-CD2 3.49Å; E617-H636 WeakPolarHBondContact CB-CD2 3.38Å; E617-H636 WeakPolarHBondContact CB-NE2 3.37Å; E617-H636 PolarHBondContact O-CD2 2.84Å; E617-H636 IonicContact OE2-NE2 3.48Å; E617-K638 IonicContact OE2-NZ 3.91Å; E617-K638 PolarHBondContact OE2-NZ 2.94Å
618F79.7Confident77.8Confident5 Ų579 Ų792%0.02237%0.367CS..  trans-94.2132.2-178.9-81.5-103.2000112.4V613 S614 L615 A634 C635 H636 I639 F642 V663V613-F618 HydrophobicContact CG2-CD2 4.01Å; V613-F618 HydrophobicContact CG2-CE1 4.01Å; V613-F618 HydrophobicContact CG2-CE2 3.36Å; V613-F618 HydrophobicContact CG2-CZ 3.38Å; S614-F618 WeakPolarHBondContact O-CD2 3.16Å; S614-F618 WeakPolarHBondContact O-CE2 3.48Å; L615-F618 HydrophobicContact CD2-CB 4.46Å; L615-F618 WeakPolarHBondContact O-CB 3.39Å; L615-F618 PolarHBondContact O-N 3.36Å; F618-A634 HydrophobicContact CD1-CB 3.87Å; F618-C635 CarbonylContact C-O 3.58Å; F618-C635 WeakPolarHBondContact CA-O 3.48Å; F618-H636 HydrophobicContact CD1-CB 3.67Å; F618-H636 HydrophobicContact CD2-CB 4.13Å; F618-H636 AromaticContact CD2-CD2 3.44Å; F618-H636 VanDerWaalsContact CD2-CD2 3.44Å; F618-H636 WeakPolarHBondContact CD2-CD2 3.44Å; F618-H636 HydrophobicContact CE1-CB 3.43Å; F618-H636 VanDerWaalsContact CE1-CB 3.43Å; F618-H636 HydrophobicContact CE2-CB 3.9Å; F618-H636 AromaticContact CE2-CD2 3.39Å; F618-H636 WeakPolarHBondContact CE2-CD2 3.4Å; F618-H636 AromaticContact CE2-CG 3.83Å; F618-H636 HydrophobicContact CG-CB 4.01Å; F618-H636 HydrophobicContact CZ-CB 3.54Å; F618-H636 AromaticContact CZ-CD2 3.95Å; F618-H636 AromaticContact CZ-CG 3.9Å; F618-I639 HydrophobicContact CE2-CD1 4.46Å; F618-F642 AromaticContact CE1-CD2 3.74Å; F618-F642 HydrophobicContact CE1-CD2 3.74Å; F618-F642 AromaticContact CE1-CE2 3.87Å; F618-F642 HydrophobicContact CE1-CE2 3.87Å; F618-F642 HydrophobicContact CZ-CD2 4.25Å; F618-F642 AromaticContact CZ-CE2 3.9Å; F618-F642 HydrophobicContact CZ-CE2 3.9Å; F618-V663 WeakPolarHBondContact O-CG1 3.17Å; F618-V663 WeakPolarHBondContact O-CG2 3.31Å
619R79.9Confident77.6Confident165 Ų16580.8 Ų80.862%0.62338%0.375SS*.EExtended strand (participates in β ladder)trans-89.3134165.6-82.2-171.751.1-173.1-11.6111D621 A634 C635R619-D621 IonicContact CZ-OD1 3.23Å; R619-D621 IonicContact NE-OD1 2.7Å; R619-D621 IonicContact NH2-OD1 3.83Å; R619-D621 PolarHBondContact NH2-OD1 3.33Å; R619-D621 IonicContact NH2-OD2 3.76Å; R619-A634 CarbonylContact O-C 3.54Å; R619-A634 WeakPolarHBondContact O-CA 3.25Å; R619-C635 HydrophobicContact CB-CB 4.42Å; R619-C635 PolarHBondContact N-O 3.41Å; R619-C635 PolarHBondContact O-N 2.96Å
620I85.7Confident77.7Confident24 Ų2484.1 Ų84.112%0.12338%0.383CS..EExtended strand (participates in β ladder)trans-105.1110.9178.4-47.2-60.6000109.3F632 A634 L656 L659 V663I620-F632 HydrophobicContact CG2-CD2 4.39Å; I620-A634 HydrophobicContact CD1-CB 3.65Å; I620-L656 HydrophobicContact CG2-CD2 3.57Å; I620-L659 HydrophobicContact CD1-CB 4.26Å; I620-L659 HydrophobicContact CG1-CB 3.98Å; I620-L659 HydrophobicContact CG2-CB 4.4Å; I620-V663 HydrophobicContact CG1-CG2 4.1Å
621D84.3Confident78.1Confident41 Ų4179.7 Ų79.722%0.21936%0.364CS..EExtended strand (participates in β ladder)trans-118.9155.8-179.5-50.7-65000111.1R619 K633 C635R619-D621 IonicContact CZ-OD1 3.23Å; R619-D621 IonicContact NE-OD1 2.7Å; R619-D621 IonicContact NH2-OD1 3.83Å; R619-D621 PolarHBondContact NH2-OD1 3.33Å; R619-D621 IonicContact NH2-OD2 3.76Å; D621-K633 HydrophobicContact CB-CG 4.04Å; D621-K633 PolarHBondContact N-O 3Å; D621-K633 PolarHBondContact O-N 2.81Å; D621-C635 PolarHBondContact OD2-SG 3.49Å
622R83.7Confident78.5Confident160 Ų16078.9 Ų78.960%0.60436%0.356SS*.EExtended strand (participates in β ladder)trans-72.2138.5169.8-72.2177.2175.2172.3-1.5110.1T624 L656R622-T624 PolarHBondContact O-N 3Å; R622-L656 HydrophobicContact CG-CD1 3.77Å
623A80.7Confident78.7Confident3 Ų375 Ų753%0.02534%0.339CS..  trans-104.763.7-172.900000112.1E625 C626 A631 K633 Y643A623-E625 PolarHBondContact O-N 3.29Å; A623-E625 VanDerWaalsContact O-N 3.17Å; A623-C626 WeakPolarHBondContact O-CB 3.35Å; A623-C626 PolarHBondContact O-N 3.4Å; A623-A631 HydrophobicContact CB-CB 4.14Å; A623-A631 PolarHBondContact N-O 2.93Å; A623-K633 HydrophobicContact CB-CB 4.03Å; A623-K633 HydrophobicContact CB-CD 4.26Å; A623-K633 HydrophobicContact CB-CG 4.05Å; A623-Y643 HydrophobicContact CB-CD1 4.28Å
624T71.3Confident78.9Confident131 Ų13174.5 Ų74.580%0.80434%0.336SS*.THydrogen-bonded Turntrans-59.1-23.5178.448.10000113.7R622 C626R622-T624 PolarHBondContact O-N 3Å; T624-C626 PolarHBondContact O-N 3.02Å
625E69.8Low78.8Confident121 Ų12173 Ų7357%0.56533%0.325SS*.THydrogen-bonded Turntrans-62.9-18.1173.2-63139.4-116.300114.1A623 K633A623-E625 PolarHBondContact O-N 3.29Å; A623-E625 VanDerWaalsContact O-N 3.17Å; E625-K633 IonicContact OE1-NZ 2.76Å; E625-K633 PolarHBondContact OE1-NZ 3.47Å; E625-K633 IonicContact OE2-NZ 2.72Å; E625-K633 PolarHBondContact OE2-NZ 3.31Å
626C71.1Confident78.8Confident23 Ų2373.6 Ų73.616%0.15533%0.328CS..SBendtrans-87.8129.4-176.5-76.70000112.4A623 T624 R628 A631A623-C626 WeakPolarHBondContact O-CB 3.35Å; A623-C626 PolarHBondContact O-N 3.4Å; T624-C626 PolarHBondContact O-N 3.02Å; C626-R628 PolarHBondContact O-N 2.61Å; C626-A631 HydrophobicContact CB-CB 3.79Å
627R65.3Low78.7Confident270 Ų27077.5 Ų77.5100%1.01935%0.353SS*.SBendtrans-62.46171.7-63.1-172.4-179.7-171.10.2115.1
628R73Confident78.1Confident125 Ų12579.9 Ų79.947%0.47236%0.362SS..SBendtrans-107.2126.1179.4-171.471.8177.4155.92107.8W586 C626 A631 A645W586-R628 HydrophobicContact CZ2-CB 4.33Å; C626-R628 PolarHBondContact O-N 2.61Å; R628-A631 WeakPolarHBondContact O-CB 3.46Å; R628-A645 HydrophobicContact CG-CB 3.95Å
629K70.5Confident77.8Confident160 Ų16085.2 Ų85.270%0.69639%0.389SS*.THydrogen-bonded Turntrans-57.8148.7174.3-62.4-175.3179.7-176.90110.1A631K629-A631 VanDerWaalsContact C-N 3.34Å; K629-A631 PolarHBondContact O-N 3.24Å
630Y81.5Confident77.6Confident89 Ų8981.6 Ų81.635%0.34938%0.378SS..THydrogen-bonded Turntrans59.337.4174.8-37.5-48.5000114.8A645 A646 E647 V649 M652Y630-A645 WeakPolarHBondContact O-CA 3.37Å; Y630-A646 PolarHBondContact O-N 3.48Å; Y630-E647 WeakPolarHBondContact CD2-O 3.39Å; Y630-V649 HydrophobicContact CD1-CG2 3.68Å; Y630-V649 HydrophobicContact CE1-CB 4.45Å; Y630-V649 HydrophobicContact CE1-CG2 3.23Å; Y630-M652 VanDerWaalsContact C-SD 3.54Å; Y630-M652 VanDerWaalsContact CA-SD 3.58Å
631A87.3Confident77.6Confident8 Ų882.7 Ų82.77%0.06639%0.386CS..EExtended strand (participates in β ladder)trans-89.8142.4177.200000113.4A623 C626 R628 K629 F644 A645A623-A631 HydrophobicContact CB-CB 4.14Å; A623-A631 PolarHBondContact N-O 2.93Å; C626-A631 HydrophobicContact CB-CB 3.79Å; R628-A631 WeakPolarHBondContact O-CB 3.46Å; K629-A631 VanDerWaalsContact C-N 3.34Å; K629-A631 PolarHBondContact O-N 3.24Å; A631-F644 CarbonylContact C-O 3.51Å; A631-F644 VanDerWaalsContact CA-O 3.26Å; A631-F644 WeakPolarHBondContact CA-O 3.31Å; A631-A645 HydrophobicContact CB-CB 4.15Å
632F88.7Confident77.7Confident0 Ų082.5 Ų82.50%038%0.383CS..EExtended strand (participates in β ladder)trans-137.2160.6173.464.6-84.9000111.3L572 I620 F644 M652 W655 L656 L659L572-F632 HydrophobicContact CD1-CE1 4.34Å; L572-F632 HydrophobicContact CD1-CZ 3.78Å; L572-F632 HydrophobicContact CD2-CE1 4.14Å; L572-F632 HydrophobicContact CD2-CZ 4.39Å; I620-F632 HydrophobicContact CG2-CD2 4.39Å; F632-F644 HydrophobicContact CD1-CB 4.17Å; F632-F644 HydrophobicContact CD2-CB 4.14Å; F632-F644 HydrophobicContact CD2-CD2 4.02Å; F632-F644 HydrophobicContact CE1-CB 3.81Å; F632-F644 HydrophobicContact CE2-CB 3.76Å; F632-F644 AromaticContact CE2-CD2 3.62Å; F632-F644 HydrophobicContact CE2-CD2 3.62Å; F632-F644 HydrophobicContact CE2-CG 4.01Å; F632-F644 HydrophobicContact CG-CB 4.34Å; F632-F644 HydrophobicContact CZ-CB 3.6Å; F632-F644 HydrophobicContact CZ-CD2 4.25Å; F632-F644 HydrophobicContact CZ-CG 4.17Å; F632-F644 PolarHBondContact N-O 2.68Å; F632-F644 PolarHBondContact O-N 3.25Å; F632-M652 HydrophobicContact CD1-CG 4.06Å; F632-W655 HydrophobicContact CE1-CB 4.29Å; F632-W655 HydrophobicContact CZ-CB 3.98Å; F632-W655 HydrophobicContact CZ-CG 4.48Å; F632-L656 HydrophobicContact CB-CD2 3.76Å; F632-L656 HydrophobicContact CB-CG 4.43Å; F632-L656 HydrophobicContact CD2-CD2 4.19Å; F632-L656 HydrophobicContact CG-CD2 4.09Å; F632-L659 HydrophobicContact CD2-CD1 4.44Å; F632-L659 HydrophobicContact CE2-CD1 3.54Å; F632-L659 HydrophobicContact CZ-CD1 4.14Å
633K89.4Confident77.9Confident31 Ų3177.7 Ų77.714%0.13537%0.366CS..EExtended strand (participates in β ladder)trans-130138.9-176.560.4-176.8-175.4-177.50111.4D621 A623 E625 T641 F642 Y643D621-K633 HydrophobicContact CB-CG 4.04Å; D621-K633 PolarHBondContact N-O 3Å; D621-K633 PolarHBondContact O-N 2.81Å; A623-K633 HydrophobicContact CB-CB 4.03Å; A623-K633 HydrophobicContact CB-CD 4.26Å; A623-K633 HydrophobicContact CB-CG 4.05Å; E625-K633 IonicContact OE1-NZ 2.76Å; E625-K633 PolarHBondContact OE1-NZ 3.47Å; E625-K633 IonicContact OE2-NZ 2.72Å; E625-K633 PolarHBondContact OE2-NZ 3.31Å; K633-T641 HydrophobicContact CB-CG2 3.87Å; K633-T641 HydrophobicContact CD-CG2 4.27Å; K633-T641 HydrophobicContact CG-CG2 4.45Å; K633-F642 CarbonylContact C-O 3.57Å; K633-F642 VanDerWaalsContact CA-O 3.23Å; K633-F642 WeakPolarHBondContact CA-O 3.39Å; K633-Y643 HydrophobicContact CB-CD1 3.94Å; K633-Y643 HydrophobicContact CB-CE1 4.01Å; K633-Y643 HydrophobicContact CD-CE1 4.04Å
634A87.7Confident78.3Confident2 Ų277.7 Ų77.72%0.01737%0.365CS..EExtended strand (participates in β ladder)trans-105.9103.9170.800000107.9F618 R619 I620 T641 F642 F644F618-A634 HydrophobicContact CD1-CB 3.87Å; R619-A634 CarbonylContact O-C 3.54Å; R619-A634 WeakPolarHBondContact O-CA 3.25Å; I620-A634 HydrophobicContact CD1-CB 3.65Å; A634-T641 CarbonylContact O-C 3.52Å; A634-T641 VanDerWaalsContact O-CA 3.29Å; A634-T641 WeakPolarHBondContact O-CA 3.42Å; A634-F642 PolarHBondContact N-O 3.14Å; A634-F642 PolarHBondContact O-N 2.94Å; A634-F644 HydrophobicContact CB-CE2 3.91Å
635C80.9Confident79.2Confident25 Ų2571.4 Ų71.417%0.16933%0.326CS..EExtended strand (participates in β ladder)trans-91.3137-176.6-58.60000110.4F618 R619 D621 T641F618-C635 CarbonylContact C-O 3.58Å; F618-C635 WeakPolarHBondContact CA-O 3.48Å; R619-C635 HydrophobicContact CB-CB 4.42Å; R619-C635 PolarHBondContact N-O 3.41Å; R619-C635 PolarHBondContact O-N 2.96Å; D621-C635 PolarHBondContact OD2-SG 3.49Å; C635-T641 HydrophobicContact CB-CG2 4.49Å
636H79.6Confident80.2Confident15 Ų1565.8 Ų65.87%0.06930%0.301CS..  trans-137.9128.6173.7-175.1-81.7000110.8E617 F618 K638 I639E617-H636 VanDerWaalsContact C-CD2 3.49Å; E617-H636 VanDerWaalsContact CB-CD2 3.49Å; E617-H636 WeakPolarHBondContact CB-CD2 3.38Å; E617-H636 WeakPolarHBondContact CB-NE2 3.37Å; E617-H636 PolarHBondContact O-CD2 2.84Å; E617-H636 IonicContact OE2-NE2 3.48Å; F618-H636 HydrophobicContact CD1-CB 3.67Å; F618-H636 HydrophobicContact CD2-CB 4.13Å; F618-H636 AromaticContact CD2-CD2 3.44Å; F618-H636 VanDerWaalsContact CD2-CD2 3.44Å; F618-H636 WeakPolarHBondContact CD2-CD2 3.44Å; F618-H636 HydrophobicContact CE1-CB 3.43Å; F618-H636 VanDerWaalsContact CE1-CB 3.43Å; F618-H636 HydrophobicContact CE2-CB 3.9Å; F618-H636 AromaticContact CE2-CD2 3.39Å; F618-H636 WeakPolarHBondContact CE2-CD2 3.4Å; F618-H636 AromaticContact CE2-CG 3.83Å; F618-H636 HydrophobicContact CG-CB 4.01Å; F618-H636 HydrophobicContact CZ-CB 3.54Å; F618-H636 AromaticContact CZ-CD2 3.95Å; F618-H636 AromaticContact CZ-CG 3.9Å; H636-K638 VanDerWaalsContact C-N 3.28Å; H636-K638 PolarHBondContact ND1-N 2.93Å; H636-K638 VanDerWaalsContact ND1-N 3.14Å; H636-K638 PolarHBondContact O-N 2.85Å; H636-I639 HydrophobicContact CB-CB 4.29Å; H636-I639 WeakPolarHBondContact CE1-CD1 3.33Å; H636-I639 VanDerWaalsContact CE1-CG1 3.47Å; H636-I639 WeakPolarHBondContact CE1-CG1 3.33Å; H636-I639 WeakPolarHBondContact ND1-CB 3.34Å; H636-I639 WeakPolarHBondContact ND1-CG1 3.21Å; H636-I639 PolarHBondContact ND1-N 3.35Å; H636-I639 VanDerWaalsContact ND1-N 3.19Å; H636-I639 PolarHBondContact O-N 3.44Å
637P68.8Low80.8Confident117 Ų11768.8 Ų68.876%0.7631%0.312SS*.THydrogen-bonded Turntrans-63.9-29-169.723.7-33.4000114
638K61.5Low81.8Confident162 Ų16260.1 Ų60.170%0.70429%0.286SS*.THydrogen-bonded Turntrans-109.9-2.2-174.7-47.3167-169.7148.60115.7E617 H636E617-K638 IonicContact OE2-NZ 3.91Å; E617-K638 PolarHBondContact OE2-NZ 2.94Å; H636-K638 VanDerWaalsContact C-N 3.28Å; H636-K638 PolarHBondContact ND1-N 2.93Å; H636-K638 VanDerWaalsContact ND1-N 3.14Å; H636-K638 PolarHBondContact O-N 2.85Å
639I73.9Confident82.4Confident117 Ų11757.2 Ų57.260%0.628%0.282SS*.SBendtrans-126.3-87-168.9-61.6169.8000110.3F618 H636F618-I639 HydrophobicContact CE2-CD1 4.46Å; H636-I639 HydrophobicContact CB-CB 4.29Å; H636-I639 WeakPolarHBondContact CE1-CD1 3.33Å; H636-I639 VanDerWaalsContact CE1-CG1 3.47Å; H636-I639 WeakPolarHBondContact CE1-CG1 3.33Å; H636-I639 WeakPolarHBondContact ND1-CB 3.34Å; H636-I639 WeakPolarHBondContact ND1-CG1 3.21Å; H636-I639 PolarHBondContact ND1-N 3.35Å; H636-I639 VanDerWaalsContact ND1-N 3.19Å; H636-I639 PolarHBondContact O-N 3.44Å
640K75.9Confident83.1Confident90 Ų9054.8 Ų54.839%0.39128%0.277SS..  trans-168.3146.7-177.3-162.5161.2-169.5167.20111.4D577D577-K640 WeakPolarHBondContact OD1-CE 3.49Å; D577-K640 IonicContact OD1-NZ 2.69Å; D577-K640 PolarHBondContact OD1-NZ 3.13Å; D577-K640 IonicContact OD2-NZ 2.83Å; D577-K640 PolarHBondContact OD2-NZ 3.49Å
641T84.3Confident83.4Confident46 Ų4652.4 Ų52.428%0.28227%0.27SS..  trans-81.1116166.5-56.60000110.6K633 A634 C635 Y643K633-T641 HydrophobicContact CB-CG2 3.87Å; K633-T641 HydrophobicContact CD-CG2 4.27Å; K633-T641 HydrophobicContact CG-CG2 4.45Å; A634-T641 CarbonylContact O-C 3.52Å; A634-T641 VanDerWaalsContact O-CA 3.29Å; A634-T641 WeakPolarHBondContact O-CA 3.42Å; C635-T641 HydrophobicContact CB-CG2 4.49Å; T641-Y643 HydrophobicContact CG2-CD2 4.34Å; T641-Y643 HydrophobicContact CG2-CE1 4.43Å; T641-Y643 HydrophobicContact CG2-CE2 3.76Å
642F86.4Confident83.4Confident37 Ų3753 Ų5316%0.16227%0.272CS..EExtended strand (participates in β ladder)trans-87.4142.6169.7-63.2-67.5000110.6V613 F618 K633 A634 F644V613-F642 HydrophobicContact CB-CE2 4.33Å; V613-F642 HydrophobicContact CG2-CD2 4.43Å; V613-F642 HydrophobicContact CG2-CE2 3.92Å; F618-F642 AromaticContact CE1-CD2 3.74Å; F618-F642 HydrophobicContact CE1-CD2 3.74Å; F618-F642 AromaticContact CE1-CE2 3.87Å; F618-F642 HydrophobicContact CE1-CE2 3.87Å; F618-F642 HydrophobicContact CZ-CD2 4.25Å; F618-F642 AromaticContact CZ-CE2 3.9Å; F618-F642 HydrophobicContact CZ-CE2 3.9Å; K633-F642 CarbonylContact C-O 3.57Å; K633-F642 VanDerWaalsContact CA-O 3.23Å; K633-F642 WeakPolarHBondContact CA-O 3.39Å; A634-F642 PolarHBondContact N-O 3.14Å; A634-F642 PolarHBondContact O-N 2.94Å; F642-F644 HydrophobicContact CB-CE1 4.37Å; F642-F644 HydrophobicContact CB-CE2 3.68Å; F642-F644 HydrophobicContact CB-CZ 3.56Å; F642-F644 HydrophobicContact CG-CZ 4.29Å
643Y87.7Confident83.3Confident60 Ų6054.8 Ų54.824%0.23528%0.284CS..EExtended strand (participates in β ladder)trans-116.2129177-66.3-95000110.4K575 A623 K633 T641K575-Y643 HydrophobicContact CD-CD2 4.27Å; K575-Y643 HydrophobicContact CD-CG 4.19Å; K575-Y643 PolarHBondContact N-O 2.95Å; A623-Y643 HydrophobicContact CB-CD1 4.28Å; K633-Y643 HydrophobicContact CB-CD1 3.94Å; K633-Y643 HydrophobicContact CB-CE1 4.01Å; K633-Y643 HydrophobicContact CD-CE1 4.04Å; T641-Y643 HydrophobicContact CG2-CD2 4.34Å; T641-Y643 HydrophobicContact CG2-CE1 4.43Å; T641-Y643 HydrophobicContact CG2-CE2 3.76Å
644F90.4Very high83.3Confident2 Ų258.9 Ų58.91%0.00930%0.299CS..EExtended strand (participates in β ladder)trans-125.3157.6-179.4-52.5-72.1000110.1W573 K574 F591 L598 A631 F632 A634 F642W573-F644 CarbonylContact O-C 3.58Å; W573-F644 VanDerWaalsContact O-CA 3.24Å; W573-F644 WeakPolarHBondContact O-CA 3.2Å; K574-F644 HydrophobicContact CB-CD1 4.38Å; K574-F644 HydrophobicContact CD-CE1 4.06Å; K574-F644 HydrophobicContact CG-CD1 4.1Å; K574-F644 HydrophobicContact CG-CE1 3.93Å; F591-F644 HydrophobicContact CE1-CD1 4Å; F591-F644 AromaticContact CE1-CE1 3.51Å; F591-F644 HydrophobicContact CE1-CE1 3.51Å; F591-F644 HydrophobicContact CE1-CZ 4.3Å; F591-F644 AromaticContact CZ-CD1 3.68Å; F591-F644 HydrophobicContact CZ-CD1 3.68Å; F591-F644 AromaticContact CZ-CE1 3.52Å; F591-F644 HydrophobicContact CZ-CE1 3.52Å; L598-F644 HydrophobicContact CD2-CZ 4.32Å; A631-F644 CarbonylContact C-O 3.51Å; A631-F644 VanDerWaalsContact CA-O 3.26Å; A631-F644 WeakPolarHBondContact CA-O 3.31Å; F632-F644 HydrophobicContact CD1-CB 4.17Å; F632-F644 HydrophobicContact CD2-CB 4.14Å; F632-F644 HydrophobicContact CD2-CD2 4.02Å; F632-F644 HydrophobicContact CE1-CB 3.81Å; F632-F644 HydrophobicContact CE2-CB 3.76Å; F632-F644 AromaticContact CE2-CD2 3.62Å; F632-F644 HydrophobicContact CE2-CD2 3.62Å; F632-F644 HydrophobicContact CE2-CG 4.01Å; F632-F644 HydrophobicContact CG-CB 4.34Å; F632-F644 HydrophobicContact CZ-CB 3.6Å; F632-F644 HydrophobicContact CZ-CD2 4.25Å; F632-F644 HydrophobicContact CZ-CG 4.17Å; F632-F644 PolarHBondContact N-O 2.68Å; F632-F644 PolarHBondContact O-N 3.25Å; A634-F644 HydrophobicContact CB-CE2 3.91Å; F642-F644 HydrophobicContact CB-CE1 4.37Å; F642-F644 HydrophobicContact CB-CE2 3.68Å; F642-F644 HydrophobicContact CB-CZ 3.56Å; F642-F644 HydrophobicContact CG-CZ 4.29Å
645A90.2Very high83.3Confident0 Ų059 Ų590%030%0.299CS..EExtended strand (participates in β ladder)trans-143.1136.3166.900000110.5W573 W586 R628 Y630 A631W573-A645 HydrophobicContact CB-CB 4.33Å; W573-A645 PolarHBondContact N-O 3.47Å; W573-A645 PolarHBondContact O-N 2.86Å; W586-A645 HydrophobicContact CH2-CB 4.34Å; W586-A645 HydrophobicContact CZ3-CB 3.97Å; R628-A645 HydrophobicContact CG-CB 3.95Å; Y630-A645 WeakPolarHBondContact O-CA 3.37Å; A631-A645 HydrophobicContact CB-CB 4.15Å
646A89.8Confident83.6Confident3 Ų358.6 Ų58.63%0.02530%0.295CS..  trans-87.5173.4173.300000111L572 Y630 D651 M652L572-A646 HydrophobicContact CD2-CB 3.74Å; Y630-A646 PolarHBondContact O-N 3.48Å; A646-D651 HydrophobicContact CB-CB 3.9Å; A646-M652 HydrophobicContact CB-CB 3.88Å
647E84.5Confident84Confident85 Ų8561.4 Ų61.440%0.39732%0.316SS..SBendtrans-87.4-34.9178.2-50-156.6125.300110.9W573 K588 Y630W573-E647 PolarHBondContact NE1-OE1 3.32Å; K588-E647 WeakPolarHBondContact CE-OE1 3.5Å; K588-E647 IonicContact NZ-OE1 2.78Å; K588-E647 PolarHBondContact NZ-OE1 2.83Å; K588-E647 IonicContact NZ-OE2 3.69Å; K588-E647 PolarHBondContact NZ-OE2 3.08Å; Y630-E647 WeakPolarHBondContact CD2-O 3.39Å
648N85.9Confident84.8Confident89 Ų8961.7 Ų61.748%0.47630%0.302SS..SBendtrans-123.7168177.4-52-63.3000113.9D651 M652N648-D651 HydrophobicContact CB-CB 4.48Å; N648-D651 WeakPolarHBondContact CB-OD2 3.48Å; N648-D651 PolarHBondContact ND2-OD2 3.06Å; N648-M652 PolarHBondContact O-N 2.88Å; N648-M652 VanDerWaalsContact O-N 3.09Å
649V85.9Confident86Confident63 Ų6354.1 Ų54.138%0.38227%0.269SS..Hα-helixtrans-61.7-43.6174.4178.20000111.4Y630 M652 S653Y630-V649 HydrophobicContact CD1-CG2 3.68Å; Y630-V649 HydrophobicContact CE1-CB 4.45Å; Y630-V649 HydrophobicContact CE1-CG2 3.23Å; V649-M652 PolarHBondContact O-N 3.03Å; V649-S653 WeakPolarHBondContact O-CB 3.36Å; V649-S653 PolarHBondContact O-N 3.42Å; V649-S653 PolarHBondContact O-OG 2.79Å
650D85.8Confident86.5Confident110 Ų11051.2 Ų51.259%0.58826%0.259SS*.Hα-helixtrans-71.7-36.4-174.6-48-75000110.9S653 R654D650-S653 PolarHBondContact O-N 3.36Å; D650-R654 VanDerWaalsContact O-CB 3.25Å; D650-R654 WeakPolarHBondContact O-CB 3.36Å; D650-R654 PolarHBondContact O-N 3.34Å
651D87.5Confident86.8Confident38 Ų3853.1 Ų53.120%0.20327%0.271CS..Hα-helixtrans-64.9-47.3172.1-60.1-38.3000111.2A646 N648 S653 R654 W655A646-D651 HydrophobicContact CB-CB 3.9Å; N648-D651 HydrophobicContact CB-CB 4.48Å; N648-D651 WeakPolarHBondContact CB-OD2 3.48Å; N648-D651 PolarHBondContact ND2-OD2 3.06Å; D651-S653 VanDerWaalsContact C-N 3.26Å; D651-S653 PolarHBondContact O-N 3.03Å; D651-R654 PolarHBondContact O-N 2.87Å; D651-R654 IonicContact OD1-CZ 3.53Å; D651-R654 IonicContact OD1-NH1 3.14Å; D651-R654 PolarHBondContact OD1-NH1 3.44Å; D651-R654 IonicContact OD1-NH2 2.72Å; D651-R654 PolarHBondContact OD1-NH2 3.3Å; D651-W655 WeakPolarHBondContact O-CB 3.2Å; D651-W655 PolarHBondContact O-N 3.24Å
652M87.3Confident86.6Confident21 Ų2151.4 Ų51.410%0.10326%0.262CS..Hα-helixtrans-56.6-43.9173.6179.1-17464.200110.8Y630 F632 A646 N648 V649 L656Y630-M652 VanDerWaalsContact C-SD 3.54Å; Y630-M652 VanDerWaalsContact CA-SD 3.58Å; F632-M652 HydrophobicContact CD1-CG 4.06Å; A646-M652 HydrophobicContact CB-CB 3.88Å; N648-M652 PolarHBondContact O-N 2.88Å; N648-M652 VanDerWaalsContact O-N 3.09Å; V649-M652 PolarHBondContact O-N 3.03Å; M652-L656 HydrophobicContact CG-CD1 3.91Å; M652-L656 HydrophobicContact CG-CG 4.31Å; M652-L656 WeakPolarHBondContact O-CB 3.35Å; M652-L656 WeakPolarHBondContact O-CG 3.36Å; M652-L656 PolarHBondContact O-N 3.29Å; M652-L656 HydrophobicContact SD-CD1 4.48Å
653S86.3Confident86.3Confident38 Ų3851.4 Ų51.427%0.26627%0.265SS..Hα-helixtrans-69.2-40.7-177.7-56.70000111.9V649 D650 D651 L656 S657V649-S653 WeakPolarHBondContact O-CB 3.36Å; V649-S653 PolarHBondContact O-N 3.42Å; V649-S653 PolarHBondContact O-OG 2.79Å; D650-S653 PolarHBondContact O-N 3.36Å; D651-S653 VanDerWaalsContact C-N 3.26Å; D651-S653 PolarHBondContact O-N 3.03Å; S653-L656 PolarHBondContact O-N 3.29Å; S653-S657 PolarHBondContact O-N 3.28Å; S653-S657 PolarHBondContact O-OG 3.42Å
654R88.6Confident85.6Confident117 Ų11751 Ų5144%0.44227%0.274SS..Hα-helixtrans-62.1-46.1174.7-164-171.6-45110.511.3111.5D650 D651 R658D650-R654 VanDerWaalsContact O-CB 3.25Å; D650-R654 WeakPolarHBondContact O-CB 3.36Å; D650-R654 PolarHBondContact O-N 3.34Å; D651-R654 PolarHBondContact O-N 2.87Å; D651-R654 IonicContact OD1-CZ 3.53Å; D651-R654 IonicContact OD1-NH1 3.14Å; D651-R654 PolarHBondContact OD1-NH1 3.44Å; D651-R654 IonicContact OD1-NH2 2.72Å; D651-R654 PolarHBondContact OD1-NH2 3.3Å; R654-R658 WeakPolarHBondContact O-CB 3.36Å; R654-R658 WeakPolarHBondContact O-CG 3.26Å; R654-R658 PolarHBondContact O-N 2.87Å
655W89Confident84.2Confident4 Ų452.4 Ų52.42%0.01529%0.289CS..Hα-helixtrans-63.9-45.9175.3-84.4108.8000112C568 L572 F591 L593 L598 F632 D651 S657 R658 L659C568-W655 HydrophobicContact CB-CE3 4.24Å; C568-W655 HydrophobicContact CB-CH2 4.25Å; C568-W655 HydrophobicContact CB-CZ3 3.96Å; C568-W655 WeakPolarHBondContact O-CH2 3.44Å; L572-W655 HydrophobicContact CD1-CD2 3.79Å; L572-W655 HydrophobicContact CD1-CE3 4.25Å; L572-W655 HydrophobicContact CD1-CG 4.08Å; L572-W655 HydrophobicContact CD1-CZ2 4.1Å; L572-W655 HydrophobicContact CD2-CG 4.25Å; L572-W655 HydrophobicContact CG-CD2 4.44Å; L572-W655 HydrophobicContact CG-CZ2 4.35Å; F591-W655 HydrophobicContact CB-CH2 3.57Å; F591-W655 HydrophobicContact CB-CZ2 3.88Å; F591-W655 HydrophobicContact CB-CZ3 4.4Å; L593-W655 HydrophobicContact CB-CZ3 4.1Å; L598-W655 HydrophobicContact CD1-CH2 4.24Å; L598-W655 HydrophobicContact CD1-CZ3 3.73Å; F632-W655 HydrophobicContact CE1-CB 4.29Å; F632-W655 HydrophobicContact CZ-CB 3.98Å; F632-W655 HydrophobicContact CZ-CG 4.48Å; D651-W655 WeakPolarHBondContact O-CB 3.2Å; D651-W655 PolarHBondContact O-N 3.24Å; W655-S657 PolarHBondContact O-N 2.98Å; W655-R658 PolarHBondContact O-N 3.17Å; W655-L659 HydrophobicContact CB-CD1 4.5Å; W655-L659 HydrophobicContact CE3-CD1 4.19Å; W655-L659 HydrophobicContact CE3-CD2 4.44Å; W655-L659 HydrophobicContact CE3-CG 4.2Å; W655-L659 VanDerWaalsContact O-CB 3.26Å; W655-L659 WeakPolarHBondContact O-CB 3.14Å; W655-L659 WeakPolarHBondContact O-CD1 3.32Å; W655-L659 WeakPolarHBondContact O-CG 3.21Å; W655-L659 PolarHBondContact O-N 3.22Å
656L87Confident82.4Confident17 Ų1757.6 Ų57.69%0.08931%0.309CS..Hα-helixtrans-56.2-50175.5-76.6172.3000111.5I620 R622 F632 M652 S653 S660I620-L656 HydrophobicContact CG2-CD2 3.57Å; R622-L656 HydrophobicContact CG-CD1 3.77Å; F632-L656 HydrophobicContact CB-CD2 3.76Å; F632-L656 HydrophobicContact CB-CG 4.43Å; F632-L656 HydrophobicContact CD2-CD2 4.19Å; F632-L656 HydrophobicContact CG-CD2 4.09Å; M652-L656 HydrophobicContact CG-CD1 3.91Å; M652-L656 HydrophobicContact CG-CG 4.31Å; M652-L656 WeakPolarHBondContact O-CB 3.35Å; M652-L656 WeakPolarHBondContact O-CG 3.36Å; M652-L656 PolarHBondContact O-N 3.29Å; M652-L656 HydrophobicContact SD-CD1 4.48Å; S653-L656 PolarHBondContact O-N 3.29Å; L656-S660 WeakPolarHBondContact O-CB 3.49Å; L656-S660 PolarHBondContact O-N 2.83Å; L656-S660 PolarHBondContact O-OG 3.22Å; L656-S660 VanDerWaalsContact O-OG 3.08Å
657S87Confident80.6Confident73 Ų7361.1 Ų61.151%0.5133%0.334SS..Hα-helixtrans-63-47.2179.7-64.10000112.4S653 W655 S660 M661S653-S657 PolarHBondContact O-N 3.28Å; S653-S657 PolarHBondContact O-OG 3.42Å; W655-S657 PolarHBondContact O-N 2.98Å; S657-S660 PolarHBondContact O-N 3.3Å; S657-M661 VanDerWaalsContact O-CG 3.3Å; S657-M661 WeakPolarHBondContact O-CG 3.42Å; S657-M661 PolarHBondContact O-N 3.46Å
658R85.4Confident78.9Confident124 Ų12463.7 Ų63.747%0.46835%0.346SS..Hα-helixtrans-65.9-40.3-179.3-70.5-76.1165.1109.5-4.8112.3D567 C568 L593 R654 W655 M661 A662D567-R658 PolarHBondContact O-NH1 3.24Å; C568-R658 HydrophobicContact CB-CB 3.88Å; C568-R658 HydrophobicContact CB-CG 4Å; L593-R658 HydrophobicContact CD2-CB 3.99Å; R654-R658 WeakPolarHBondContact O-CB 3.36Å; R654-R658 WeakPolarHBondContact O-CG 3.26Å; R654-R658 PolarHBondContact O-N 2.87Å; W655-R658 PolarHBondContact O-N 3.17Å; R658-M661 PolarHBondContact O-N 3.37Å; R658-A662 PolarHBondContact O-N 2.87Å
659L86.7Confident77.1Confident2 Ų265.7 Ų65.71%0.0135%0.352CS..Hα-helixtrans-67.1-43175.6-66.3167.9000111.6L593 L598 L615 I620 F632 W655 M661 A662 V663L593-L659 HydrophobicContact CD1-CD2 4.15Å; L593-L659 HydrophobicContact CD2-CD2 4.12Å; L598-L659 HydrophobicContact CD1-CD2 4.22Å; L598-L659 HydrophobicContact CD2-CD2 4Å; L615-L659 HydrophobicContact CD1-CD2 3.49Å; L615-L659 VanDerWaalsContact CD1-CD2 3.49Å; I620-L659 HydrophobicContact CD1-CB 4.26Å; I620-L659 HydrophobicContact CG1-CB 3.98Å; I620-L659 HydrophobicContact CG2-CB 4.4Å; F632-L659 HydrophobicContact CD2-CD1 4.44Å; F632-L659 HydrophobicContact CE2-CD1 3.54Å; F632-L659 HydrophobicContact CZ-CD1 4.14Å; W655-L659 HydrophobicContact CB-CD1 4.5Å; W655-L659 HydrophobicContact CE3-CD1 4.19Å; W655-L659 HydrophobicContact CE3-CD2 4.44Å; W655-L659 HydrophobicContact CE3-CG 4.2Å; W655-L659 VanDerWaalsContact O-CB 3.26Å; W655-L659 WeakPolarHBondContact O-CB 3.14Å; W655-L659 WeakPolarHBondContact O-CD1 3.32Å; W655-L659 WeakPolarHBondContact O-CG 3.21Å; W655-L659 PolarHBondContact O-N 3.22Å; L659-M661 VanDerWaalsContact C-N 3.34Å; L659-M661 PolarHBondContact O-N 3.41Å; L659-A662 PolarHBondContact O-N 3.04Å; L659-V663 WeakPolarHBondContact O-CG2 3.46Å; L659-V663 PolarHBondContact O-N 2.85Å
660S84.9Confident75.2Confident56 Ų5668 Ų6839%0.39236%0.359SS..Hα-helixtrans-64.5-35.4176.1-67.90000112.9L656 S657 V663 A664L656-S660 WeakPolarHBondContact O-CB 3.49Å; L656-S660 PolarHBondContact O-N 2.83Å; L656-S660 PolarHBondContact O-OG 3.22Å; L656-S660 VanDerWaalsContact O-OG 3.08Å; S657-S660 PolarHBondContact O-N 3.3Å; S660-V663 PolarHBondContact O-N 3.28Å; S660-A664 WeakPolarHBondContact O-CB 3.48Å; S660-A664 PolarHBondContact O-N 3.25Å
661M81.8Confident73.2Confident130 Ų13068.6 Ų68.664%0.6436%0.356SS*.Hα-helixtrans-64.7-42.6171.4-72175.672.700111.8S657 R658 L659 V663 A664 G665S657-M661 VanDerWaalsContact O-CG 3.3Å; S657-M661 WeakPolarHBondContact O-CG 3.42Å; S657-M661 PolarHBondContact O-N 3.46Å; R658-M661 PolarHBondContact O-N 3.37Å; L659-M661 VanDerWaalsContact C-N 3.34Å; L659-M661 PolarHBondContact O-N 3.41Å; M661-V663 VanDerWaalsContact C-N 3.26Å; M661-V663 PolarHBondContact O-N 2.9Å; M661-A664 PolarHBondContact O-N 2.91Å; M661-G665 PolarHBondContact O-N 3.23Å
662A79.9Confident71.2Confident10 Ų1073.3 Ų73.38%0.08338%0.379CS..Hα-helixtrans-66.8-23.6176.600000113.9L593 L615 R658 L659L593-A662 HydrophobicContact CD1-CB 4.02Å; L593-A662 HydrophobicContact CD2-CB 4.15Å; L615-A662 HydrophobicContact CD1-CB 4.11Å; R658-A662 PolarHBondContact O-N 2.87Å; L659-A662 PolarHBondContact O-N 3.04Å
663V80.4Confident69Low37 Ų3780.6 Ų80.622%0.22441%0.405CS..Hα-helixtrans-75.9-47.6168.5175.50000110.8L615 F618 I620 L659 S660 M661L615-V663 HydrophobicContact CB-CG2 4.14Å; F618-V663 WeakPolarHBondContact O-CG1 3.17Å; F618-V663 WeakPolarHBondContact O-CG2 3.31Å; I620-V663 HydrophobicContact CG1-CG2 4.1Å; L659-V663 WeakPolarHBondContact O-CG2 3.46Å; L659-V663 PolarHBondContact O-N 2.85Å; S660-V663 PolarHBondContact O-N 3.28Å; M661-V663 VanDerWaalsContact C-N 3.26Å; M661-V663 PolarHBondContact O-N 2.9Å
664A73.9Confident66.8Low52 Ų5285.1 Ų85.143%0.4342%0.422SS..Hα-helixtrans-71.1-39.2-174.400000113.8S660 M661 Y666 S667S660-A664 WeakPolarHBondContact O-CB 3.48Å; S660-A664 PolarHBondContact O-N 3.25Å; M661-A664 PolarHBondContact O-N 2.91Å; A664-Y666 PolarHBondContact O-N 3.3Å; A664-Y666 VanDerWaalsContact O-N 3.08Å; A664-S667 WeakPolarHBondContact O-CB 3.38Å; A664-S667 PolarHBondContact O-N 3.17Å; A664-S667 PolarHBondContact O-OG 3.44Å
665G60Low64.3Low31 Ų3185.5 Ų85.532%0.3243%0.429SS..Hα-helixtrans-61.2-23.5-172.100000114.5M661 S667 E668 Q669M661-G665 PolarHBondContact O-N 3.23Å; G665-S667 VanDerWaalsContact C-N 3.25Å; G665-S667 PolarHBondContact O-N 2.83Å; G665-E668 PolarHBondContact O-N 3.39Å; G665-Q669 PolarHBondContact O-N 3.42Å
666Y53.8Low61.8Low109 Ų10993 Ų9343%0.42746%0.464SS..Hα-helixtrans-60.8-36.8173.4-158-81.8000111.6T596 P616 A664 E670T596-Y666 HydrophobicContact CG2-CD2 4.45Å; P616-Y666 HydrophobicContact CB-CD2 4.03Å; P616-Y666 HydrophobicContact CB-CG 4.02Å; P616-Y666 HydrophobicContact CG-CD2 3.65Å; P616-Y666 HydrophobicContact CG-CE2 4.23Å; P616-Y666 HydrophobicContact CG-CG 4.11Å; A664-Y666 PolarHBondContact O-N 3.3Å; A664-Y666 VanDerWaalsContact O-N 3.08Å; Y666-E670 VanDerWaalsContact O-CB 3.26Å; Y666-E670 WeakPolarHBondContact O-CB 3.46Å; Y666-E670 PolarHBondContact O-N 2.82Å
667S50.6Low59.4Low78 Ų7898.5 Ų98.555%0.54549%0.493SS..Hα-helixtrans-73.3-26.5-179.1700000114.2A664 G665 K671A664-S667 WeakPolarHBondContact O-CB 3.38Å; A664-S667 PolarHBondContact O-N 3.17Å; A664-S667 PolarHBondContact O-OG 3.44Å; G665-S667 VanDerWaalsContact C-N 3.25Å; G665-S667 PolarHBondContact O-N 2.83Å; S667-K671 WeakPolarHBondContact O-CB 3.49Å; S667-K671 PolarHBondContact O-N 2.85Å
668E49.9Very low57.1Low139 Ų139103.8 Ų103.865%0.6550%0.504SS*.Hα-helixtrans-82.3-40172.2-68.9-174.5135.300111.4G665 E670 K671 M672G665-E668 PolarHBondContact O-N 3.39Å; E668-E670 PolarHBondContact O-N 3.17Å; E668-K671 WeakPolarHBondContact O-CB 3.35Å; E668-K671 PolarHBondContact O-N 3.46Å; E668-M672 PolarHBondContact O-N 3.07Å
669Q46.7Very low54.8Low131 Ų131107.1 Ų107.161%0.61252%0.516SS*.Hα-helixtrans-71-31.7-179.5-164.8171.121.200112.8G665 R673G665-Q669 PolarHBondContact O-N 3.42Å; Q669-R673 PolarHBondContact O-N 3.21Å; Q669-R673 VanDerWaalsContact O-N 3.16Å
670E47.7Very low52.2Low110 Ų110112 Ų11251%0.51455%0.551SS.*Hα-helixtrans-69.7-36.7171-162.4156.6-117.600111Y666 E668 Q674Y666-E670 VanDerWaalsContact O-CB 3.26Å; Y666-E670 WeakPolarHBondContact O-CB 3.46Å; Y666-E670 PolarHBondContact O-N 2.82Å; E668-E670 PolarHBondContact O-N 3.17Å; E670-Q674 VanDerWaalsContact O-CB 3.28Å; E670-Q674 WeakPolarHBondContact O-CB 3.24Å; E670-Q674 PolarHBondContact O-N 2.91Å
671K43.8Very low49.5Very low123 Ų123117.5 Ų117.554%0.53557%0.57SS.*Hα-helixtrans-63-49.6170.5-112.1-169.1169.9-150.50113.4S667 E668 R673 Q674 E675S667-K671 WeakPolarHBondContact O-CB 3.49Å; S667-K671 PolarHBondContact O-N 2.85Å; E668-K671 WeakPolarHBondContact O-CB 3.35Å; E668-K671 PolarHBondContact O-N 3.46Å; K671-R673 VanDerWaalsContact C-N 3.29Å; K671-R673 PolarHBondContact O-N 3Å; K671-Q674 CarbonylContact O-C 3.48Å; K671-Q674 PolarHBondContact O-N 3.41Å; K671-E675 PolarHBondContact O-N 3.26Å
672M44.2Very low47.1Very low137 Ų137116.2 Ų116.268%0.67557%0.574SS**Hα-helixtrans-62.6-36.9-179.7-74-171.173.500112E668 Q676E668-M672 PolarHBondContact O-N 3.07Å; M672-Q676 WeakPolarHBondContact O-CB 3.41Å; M672-Q676 PolarHBondContact O-N 3.37Å; M672-Q676 VanDerWaalsContact O-N 3.16Å
673R42.4Very low44.9Very low175 Ų175122.1 Ų122.166%0.6660%0.604SS**Hα-helixtrans-61.8-50.7168.8-83.4178.1148-114.1-8.9111.2Q669 K671 E675 Q676 D677Q669-R673 PolarHBondContact O-N 3.21Å; Q669-R673 VanDerWaalsContact O-N 3.16Å; K671-R673 VanDerWaalsContact C-N 3.29Å; K671-R673 PolarHBondContact O-N 3Å; R673-E675 PolarHBondContact O-N 3.22Å; R673-Q676 CarbonylContact O-C 3.59Å; R673-Q676 PolarHBondContact O-N 3.23Å; R673-D677 WeakPolarHBondContact O-CB 3.32Å; R673-D677 PolarHBondContact O-N 2.84Å
674Q38.8Very low42.7Very low132 Ų132128.4 Ų128.462%0.61763%0.631SS**Hα-helixtrans-66.7-32.4-175.9-171160.159.700113.6E670 K671 Y678E670-Q674 VanDerWaalsContact O-CB 3.28Å; E670-Q674 WeakPolarHBondContact O-CB 3.24Å; E670-Q674 PolarHBondContact O-N 2.91Å; K671-Q674 CarbonylContact O-C 3.48Å; K671-Q674 PolarHBondContact O-N 3.41Å; Q674-Y678 WeakPolarHBondContact O-CB 3.32Å; Q674-Y678 PolarHBondContact O-N 3.13Å
675E35.7Very low40.8Very low125 Ų125133.7 Ų133.758%0.58465%0.647SS**Hα-helixtrans-71.5-37.3172.7-73.6173.6177.600111.5K671 R673 Y678K671-E675 PolarHBondContact O-N 3.26Å; R673-E675 PolarHBondContact O-N 3.22Å; E675-Y678 PolarHBondContact O-N 2.7Å
676Q37.3Very low39.5Very low161 Ų161140.2 Ų140.275%0.75267%0.674SS**Hα-helixtrans-75.6-26.3176.2-167.6158.342.500113.4M672 R673 Y678M672-Q676 WeakPolarHBondContact O-CB 3.41Å; M672-Q676 PolarHBondContact O-N 3.37Å; M672-Q676 VanDerWaalsContact O-N 3.16Å; R673-Q676 CarbonylContact O-C 3.59Å; R673-Q676 PolarHBondContact O-N 3.23Å; Q676-Y678 VanDerWaalsContact C-N 3.34Å
677D36.5Very low38.5Very low133 Ų133142.8 Ų142.871%0.71169%0.692SS**THydrogen-bonded Turntrans-83.1-4.3172.4-71.1-33000113R673R673-D677 WeakPolarHBondContact O-CB 3.32Å; R673-D677 PolarHBondContact O-N 2.84Å
678Y39.2Very low37.6Very low185 Ų185147.5 Ų147.573%0.72571%0.705SS**THydrogen-bonded Turntrans-103.1-16.1-177-155.4-100.9000115Q674 E675 Q676Q674-Y678 WeakPolarHBondContact O-CB 3.32Å; Q674-Y678 PolarHBondContact O-N 3.13Å; E675-Y678 PolarHBondContact O-N 2.7Å; Q676-Y678 VanDerWaalsContact C-N 3.34Å
679W37.2Very low36.7Very low193 Ų193149 Ų14973%0.73171%0.714SS**  trans-13494.4171.8-81.1101.3000111.2E681W679-E681 HydrophobicContact CE3-CG 4.48Å; W679-E681 HydrophobicContact CZ3-CG 4.43Å
680S32Very low36.3Very low105 Ų105148.1 Ų148.173%0.73472%0.72SS**  trans-140.790.5163.3-1730000107.9
681E27.3Very low36.4Very low172 Ų172147.5 Ų147.580%0.80473%0.725SS**  trans-63.5134.6169.1-73.6-176.9104.700109.8W679W679-E681 HydrophobicContact CE3-CG 4.48Å; W679-E681 HydrophobicContact CZ3-CG 4.43Å
682S31Very low35.6Very low103 Ų103148 Ų14872%0.7274%0.739SS**  trans-79.8136.9-179.2-63.10000111.6
683D35.4Very low35.7Very low133 Ų133146.2 Ų146.271%0.71174%0.737SS**  trans42.5130.2143.2-52.8-37.9000120.2
684H32.8Very low35Very low170 Ų170147 Ų14779%0.78775%0.745SS**  -152.5107.3110.4-93.2-61.2000111.3
685E34Very low34.5Very low163 Ų163150.5 Ų150.576%0.76275%0.753SS**  trans44.2132.5133.7-66.4164-94.500121.7
686D33.4Very low34Very low167 Ų167150.6 Ų150.689%0.89376%0.758SS**  trans-61.8139.4173.3-65.7-79.1000114
687M33.8Very low33.5Very low164 Ų164148.3 Ų148.381%0.80876%0.759SS**  trans-151.9123.7134.5-141-179.7172.100114.8
688E30Very low34.1Very low177 Ų177147.8 Ų147.883%0.82776%0.763SS**  trans61150.4159.1-73.3-178.1156.500122.4
689M30.9Very low34.9Very low170 Ų170144.2 Ų144.284%0.83776%0.762SS**  trans-121.3168-178.5-104.3-98.4-168.500107.5
690P39.4Very low35.7Very low112 Ų112140.3 Ų140.373%0.72776%0.762SS**  cis-132.2-124.81427.90.3000114
691P49Very low36.8Very low97 Ų97140 Ų14063%0.6376%0.757SS**  -130.5173.3-109.841.4-23.4000117.9
692V28.2Very low37Very low134 Ų134141.5 Ų141.581%0.81276%0.757SS**  trans60.2163.3163.9-88.80000119
693P45.2Very low37Very low99 Ų99142.2 Ų142.264%0.64375%0.753SS**  cis-135.7168.8-24.433.8-15.7000115.9
694K28.5Very low36.7Very low191 Ų191141.2 Ų141.283%0.8375%0.752SS**  trans73.5136.5140.5-88.6172.5-176.9174.90122.7
695R28.5Very low36.6Very low206 Ų206142.1 Ų142.178%0.77775%0.75SS**  trans100.4124.4133-84-173.3131.3150.34.6122.8
696D24.3Very low37.3Very low128 Ų128140 Ų14068%0.68475%0.75SS**  63.5160.2126.9-50.8-9.9000121.5
697S27.8Very low37.2Very low112 Ų112142.3 Ų142.378%0.78375%0.746SS**  trans-121.2-172.7-163.3-4.20000111.7
698P48.7Very low37Very low123 Ų123139.2 Ų139.280%0.79975%0.746SS**  cis-128.7-110.7-25.831.6-6.3000113.1
699P55.9Low37Very low109 Ų109135.3 Ų135.371%0.70875%0.745SS**  trans-118.3-141.9-158.942.6-18.4000110.6
700P54.4Low36.9Very low111 Ų111132.1 Ų132.172%0.72174%0.739SS**  cis-118.8-143.1-21.344.6-26.2000108.9
701P54.7Low36.4Very low99 Ų99133.3 Ų133.364%0.64374%0.744SS**  cis-112.1-137.2-14.419.18.7000110.9
702Y30.6Very low35.6Very low204 Ų204133.7 Ų133.780%0.875%0.749SS**  cis-164.6166.511.6-119-28.8000107.8
703D31.9Very low36.5Very low117 Ų117132.9 Ų132.963%0.62675%0.746SS**  cis-161171.4-5.1-168.133.2000112.7
704T30Very low35.5Very low113 Ų113138.1 Ų138.169%0.69376%0.755SS**  trans74.4134.4152.8-80.10000121.7
705Y28.9Very low35.6Very low188 Ų188136.6 Ų136.674%0.73776%0.755SS**  trans-94.3-171.6-177.8-92.8-104.5000112.4R707Y705-R707 HydrophobicContact CD1-CB 3.93Å; Y705-R707 HydrophobicContact CE1-CB 4.36Å
706P49.6Very low35.6Very low119 Ų119135 Ų13577%0.77376%0.757SS**  cis-122.5173.5-4.428.6-6.3000113.7
707R31.4Very low36.6Very low216 Ų216133.3 Ų133.382%0.81575%0.752SS**  cis8498.823.5-163.4-167.5-171.9-179.25.2118.2Y705Y705-R707 HydrophobicContact CD1-CB 3.93Å; Y705-R707 HydrophobicContact CE1-CB 4.36Å
708A29.4Very low36.5Very low98 Ų98136.4 Ų136.481%0.8175%0.752SS**  trans-178.3149.2142.700000110.5
709A29.1Very low35.3Very low96 Ų96141.3 Ų141.379%0.79375%0.754SS**  cis-160.7175.7-20.100000111.2
710S29.8Very low33.8Very low103 Ų103140.8 Ų140.872%0.7275%0.753SS**  trans-48.9170174.148.40000116.5
711V29.3Very low32.5Very low137 Ų137144 Ų14483%0.8376%0.758SS**  cis-160.5165.945.9-135.50000115
712S31.5Very low31.2Very low105 Ų105147.4 Ų147.473%0.73477%0.77SS**  trans-105.5-172157.9-47.80000108.9
713P46.3Very low31Very low116 Ų116142.4 Ų142.475%0.75377%0.765SS**  cis-146-170.78.742.1-19.8000117.4
714Y24.8Very low31Very low209 Ų209141.9 Ų141.982%0.8277%0.77SS**  trans71116.5143-134.7-110.5000121.7
715L31.9Very low31Very low160 Ų160141.2 Ų141.284%0.83877%0.771SS**  172156.9120-92.7171.5000114.2
716E27.4Very low31.1Very low173 Ų173138.7 Ų138.781%0.80877%0.77SS**  trans-127.7179.5173.4-120.6-162.5119.600107.9
717P44.9Very low30.1Very low91 Ų91138.5 Ų138.559%0.59177%0.767SS**  cis-138.1-166.6-19.731.4-8.1000114.2
718K25.7Very low30Very low178 Ų178136.3 Ų136.377%0.77476%0.763SS**  trans92.1108.4155.5-66.1176179.8171.80122.7
719R25.1Very low29.9Very low226 Ų226139.2 Ų139.285%0.85376%0.76SS**  72.3136.4123.3-65.1-172174.8-173.1-2.1123.7
720S23.4Very low29.9Very low98 Ų98139.4 Ų139.469%0.68576%0.755SS**  trans82.699.7136.847.30000124
721H27.6Very low29.8Very low179 Ų179146.1 Ų146.183%0.82977%0.765SS**  77154.2129.9-65.7-65.5000123.2
722L27.3Very low29.7Very low169 Ų169144.5 Ų144.589%0.88576%0.76SS**  trans73.6160.8173.5-49.7-179.7000116.8
723S25Very low29.6Very low100 Ų100144.5 Ų144.570%0.69976%0.76SS**  cis-166.1137.2-46.5-164.60000110.2
724S31.9Very low28.6Very low105 Ų105146.8 Ų146.873%0.73476%0.76SS**  trans30.3134.3159.6-46.50000123.6
725S31.5Very low28.8Very low100 Ų100143.9 Ų143.970%0.69975%0.754SS**  130.5124.5112.1-101.30000120.9
726D29.6Very low28.6Very low134 Ų134143.3 Ų143.372%0.71775%0.747SS**  trans87.6157.9133.2-76.4-65.7000125.9
727T30Very low28.5Very low116 Ų116143.2 Ų143.271%0.71274%0.744SS**  trans83.9145171.275.50000118.6
728F28.1Very low27.5Very low170 Ų170147.1 Ų147.175%0.74675%0.754SS**  cis-169.7150.7-28.6-108.9-45.2000113
729Q27.6Very low27.4Very low159 Ų159144.2 Ų144.274%0.74376%0.756SS**  trans66163.8146.7-65.4171.745.800121.5
730S28.5Very low27.4Very low99 Ų99142.1 Ų142.169%0.69276%0.756SS**  cis-177157.6-33.2-89.60000113.9
731R29.1Very low28.3Very low244 Ų244142.7 Ų142.792%0.92176%0.758SS**  trans69.4157.9161.3-74.8-179.4169.2-162.4-5.1119.3
732S27.4Very low28.4Very low103 Ų103141.3 Ų141.372%0.7275%0.751SS**  cis-157.5-146.8-1747.50000108.1
733S28.5Very low28.3Very low105 Ų105140.8 Ų140.873%0.73475%0.745SS**  cis177.3162.6-4.325.40000107
734H25.6Very low28.4Very low165 Ų165140.9 Ų140.976%0.76475%0.745SS**  cis-170.6-160.9-20.5-164.5-110.8000108.7
735E30Very low28.2Very low148 Ų148140.6 Ų140.669%0.69274%0.743SS**  trans73155165.5-38.7-68.873.700120.4
736E27.5Very low28Very low147 Ų147140.4 Ų140.469%0.68774%0.742SS**  cis-164.3164.7-45.1-158.8171-154.800112.4
737F24.4Very low28Very low172 Ų172140.6 Ų140.675%0.75474%0.743SS**  trans108.5149.2153.6-85.7-74000124.6
738H24.7Very low27.8Very low173 Ų173142.1 Ų142.180%0.80175%0.746SS**  trans-103.2-177.5-173.1-71.7-101.9000111.5
739S23.5Very low27.7Very low116 Ų116138.7 Ų138.781%0.81174%0.744SS**  cis-162.7167.634.8-60.30000115.8
740E23.7Very low27.7Very low182 Ų182137.2 Ų137.285%0.8575%0.745SS**  trans-74.5-170.4161.6-95.3-165115.100112.8
741P44Very low27.7Very low111 Ų111137.5 Ų137.572%0.72175%0.747SS**  cis-140.6-165.211.145.4-25.9000116
742Q27.9Very low28.2Very low149 Ų149131.6 Ų131.670%0.69674%0.741SS**  173.3117.5105.7-168.5161.416.100115
743E26.6Very low28.2Very low159 Ų159130.3 Ų130.374%0.74374%0.743SS**  trans57.3145.9150.4-70.2167.6-137.700122.2
744S25.9Very low28.2Very low102 Ų102132.6 Ų132.671%0.71374%0.743SS**  cis-168.6-173-11.860.40000108.5
745S28.5Very low28.3Very low98 Ų98133.3 Ų133.369%0.68574%0.743SS**  cis-161.31623.6-154.40000112.2
746S28.1Very low28Very low96 Ų96130 Ų13067%0.67174%0.742SS**  trans64.8143.2155.272.60000120.3
747N27.6Very low28Very low138 Ų138129 Ų12974%0.73875%0.751SS**  cis-162.7145.4-12.5-106.4-13.4000111.1
748N27.3Very low28Very low148 Ų148125.2 Ų125.279%0.79175%0.746SS**  trans62.5145.3155-65.1-14.5000119.9
749S25.7Very low28.1Very low98 Ų98124.9 Ų124.969%0.68574%0.744SS**  cis-169.5145-747.40000113.5
750V26.8Very low28.2Very low128 Ų128129.3 Ų129.378%0.77674%0.743SS**  trans72.599.1149.8176.80000120.2
751S28.4Very low28.5Very low106 Ų106127.6 Ų127.674%0.74174%0.74SS**  60.5161.7119.1-53.10000123.6
752P40.5Very low27.6Very low120 Ų120128 Ų12878%0.77975%0.745SS**  cis-143.9145.9-38.737.3-19.3000117.2
753G27.3Very low28Very low75 Ų75131.4 Ų131.477%0.77375%0.752SS**  trans65.7179.5147.800000120.2
754Q28.5Very low28.1Very low154 Ų154131.3 Ų131.372%0.7275%0.751SS**  cis-165.3142.7-21.1-127.3-170.237.200111.7
755K26.7Very low28.3Very low179 Ų179133.3 Ų133.378%0.77875%0.754SS**  trans62.8178.6155.9-67.3165.3179.6156.10118.3
756A25.3Very low28.9Very low80 Ų80136.4 Ų136.466%0.66176%0.758SS**  -176.8163.1-52.900000110
757S25.9Very low28.8Very low125 Ų125137.7 Ų137.787%0.87476%0.755SS**  trans65.9170.7164.778.60000117.2
758S24.8Very low29.1Very low93 Ų93138.8 Ų138.865%0.6576%0.755SS**  cis-165.2164.9-44.2-172.10000110.7
759H26.5Very low29.1Very low166 Ų166135 Ų13577%0.76975%0.752SS**  trans54.2124.6158.3-76.3-44.1000124.8
760R26.2Very low29.2Very low209 Ų209139.7 Ų139.779%0.78976%0.759SS**  65.2115.7129.2-76.2-174.7164.3-161.3-2.6123.3
761N29Very low29.4Very low146 Ų146139.3 Ų139.378%0.78176%0.762SS**  64.1129.8120-59.617.4000123.7
762S26.4Very low29.3Very low119 Ų119143.9 Ų143.983%0.83276%0.763SS**  trans115.9158.6135.5-143.30000117.9
763W36.1Very low28.8Very low220 Ų220145.9 Ų145.983%0.83376%0.764SS**  trans-108175.2-152.7-68.185.7000115.7
764Q27.6Very low29.1Very low158 Ų158148.4 Ų148.474%0.73876%0.756SS**  trans72.2151.3171.2-90.475.744.800116.1
765D32.1Very low29Very low144 Ų144149.7 Ų149.777%0.7776%0.755SS**  cis-149-170.93.3-148.3-6.4000115.2
766Q40.4Very low29.2Very low162 Ų162147.8 Ų147.876%0.75775%0.753SS**  trans-80.6151.6-171.5177.8-163.5134.300118
767M26.6Very low29.4Very low124 Ų124150.4 Ų150.461%0.61175%0.751SS**  trans-152.5141.7158-79.8-64.1-9300114.2
768E32.1Very low29.4Very low161 Ų161150.2 Ų150.275%0.75275%0.745SS**  trans33.8159.8140.2-57.9-173.9141.300124
769G27.4Very low29.4Very low69 Ų69154.6 Ų154.671%0.71175%0.748SS**  cis166.4149.7-9.700000116.7
770K28.9Very low30.3Very low196 Ų196152.1 Ų152.185%0.85275%0.747SS**  trans49.8124.4153.4-62.2170.4-177161.50123.6
771S29.8Very low30.3Very low119 Ų119148.8 Ų148.883%0.83275%0.75SS**  155.7109.6129-710000110.8
772R27.9Very low30.1Very low203 Ų203150.6 Ų150.677%0.76675%0.754SS**  69.7109.665.5-169.1-171-171.4-163.53.6115.8
773M29.3Very low30Very low161 Ų161153.3 Ų153.379%0.79375%0.753SS**  trans-159128.1140.3-74-48.9-92.800113.3
774H32.9Very low29.4Very low129 Ų129147.5 Ų147.560%0.59775%0.746SS**  trans28.4155.7140.8-59.6-98.9000125.1
775Y28Very low29.2Very low180 Ų180147.6 Ų147.671%0.70675%0.748SS**  cis179.7130.3-35-123-71.2000112.2
776L30.3Very low28.8Very low140 Ų140148.6 Ų148.673%0.73375%0.749SS**  trans56.1160.8161.6-76.9162.5000120.2
777Q28.3Very low27.9Very low134 Ų134145.6 Ų145.663%0.62675%0.745SS**  cis-142.2-176.25.8-153.6140.6-98.200108.2Y779Q777-Y779 HydrophobicContact CG-CD2 3.81Å; Q777-Y779 HydrophobicContact CG-CE2 4.18Å
778T26.8Very low27.8Very low121 Ų121148.5 Ų148.574%0.74276%0.758SS**  cis-132.4177.917.547.70000111.1
779Y25.7Very low27.4Very low185 Ų185148 Ų14873%0.72576%0.76SS**  cis76.6144.427.5-65.7-52.4000117.1Q777Q777-Y779 HydrophobicContact CG-CD2 3.81Å; Q777-Y779 HydrophobicContact CG-CE2 4.18Å
780P43.8Very low27.3Very low114 Ų114153.7 Ų153.774%0.7476%0.76SS**  cis-136.7-177.5-7.533.4-10.6000118.1
781V26.4Very low27.2Very low140 Ų140150.4 Ų150.485%0.84875%0.748SS**  trans110.9146.7155.5-171.30000118.3
782E26Very low27.1Very low184 Ų184150.8 Ų150.886%0.8674%0.736SS**  trans-96.3178-140.2-57.3-177.6137.900118.9
783E23.6Very low27.2Very low175 Ų175148.8 Ų148.882%0.81874%0.74SS**  trans-8.7140165.3-64-159.5131.700124.5
784S23.3Very low27.1Very low99 Ų99145.3 Ų145.369%0.69274%0.737SS**  64.3119.5129.2-61.50000122.4
785M23.1Very low26.8Very low159 Ų159146.4 Ų146.478%0.78375%0.746SS**  -173.7125.8111.5-93.2-59.5178.400113
786Q23.7Very low26.8Very low166 Ų166144.6 Ų144.678%0.77674%0.744SS**  trans68137.6142.6-64.8174.43.800125
787S22.1Very low26.7Very low98 Ų98146.4 Ų146.469%0.68574%0.742SS**  trans66.4111.5144.356.30000123.8
788E24.1Very low26.6Very low186 Ų186148.5 Ų148.587%0.86974%0.744SS**  trans69.1118.1131.9-60.2-177.8123.100122
789D24.8Very low26.9Very low151 Ų151151.2 Ų151.281%0.80774%0.741SS**  trans26126.1143.1-64.416.6000120.3
790R23.8Very low27Very low188 Ų188149.8 Ų149.871%0.70974%0.741SS**  cis49.9106.716.2-87.8-16292.5179.80.2113.4
791E27.6Very low26.4Very low127 Ų127149.1 Ų149.159%0.59374%0.738SS**  -177.4160.252.4-85.1-121.6119.600109.3
792Q28.1Very low26.6Very low126 Ų126149.2 Ų149.259%0.58974%0.74SS**  cis-175.7171.6-15.3-159.779.7-31.600109
793L29.2Very low26.9Very low162 Ų162148.8 Ų148.885%0.84874%0.742SS**  trans72.9142.7156.7-56.2-178.3000119.4
794A27.5Very low27.4Very low87 Ų87146 Ų14672%0.71974%0.74SS**  cis-157.4149.2-16.300000110.7
795I26.2Very low27.6Very low153 Ų153145.9 Ų145.979%0.78574%0.744SS**  trans-127.8116.2-175.9-75.4176.8000111.1
796E28.1Very low28Very low142 Ų142146.6 Ų146.666%0.66475%0.745SS**  trans54.6151.2143.7-58.7-171.7126.300125.4
797Y29.5Very low28.1Very low177 Ų177149.5 Ų149.569%0.69475%0.749SS**  trans78.2113.2140.1-81.7-45.1000123.3
798R26.2Very low28.2Very low179 Ų179150 Ų15068%0.67575%0.753SS**  117119.9103.5-171.5-178.1-154.1103.4-5.7120.6
799R32Very low28.3Very low178 Ų178148.4 Ų148.467%0.67275%0.75SS**  trans89.9127.1144-83172.1178.6-166.8-1.9124.1
800Q27Very low28.3Very low155 Ų155147.8 Ų147.872%0.72475%0.746SS**  trans69.2163.8130.2-69.8170.2-43.800121.1
801S31.3Very low28.4Very low99 Ų99146 Ų14669%0.69275%0.745SS**  175.7139.5-54.853.30000110.4
802T30.8Very low28.3Very low143 Ų143146 Ų14688%0.87775%0.745SS**  trans-139.1149.7176.346.60000114.4
803L33.5Very low28.1Very low174 Ų174147.8 Ų147.891%0.91175%0.753SS**  trans-150.9165.7180-73.8176.1000110.1
804P33.9Very low28Very low118 Ų118150.6 Ų150.677%0.76676%0.755SS**  trans-126.5120.5157.734-19.4000115
805A26.9Very low27.8Very low95 Ų95158.4 Ų158.479%0.78577%0.765SS**  trans46.5142.8134.200000122.4
806Q31.5Very low27.8Very low174 Ų174155 Ų15581%0.81376%0.76SS**  cis-169.8173.1-2.3-126.2-169.23.100113.8
807R25.3Very low27.6Very low227 Ų227156.4 Ų156.486%0.85777%0.771SS**  trans76.6122.4171.4-58.6-179.2179.2-176.5-2.3116
808S24.7Very low27.8Very low108 Ų108153.8 Ų153.876%0.75578%0.776SS**  cis106116.38.5-169.10000116.2
809L26Very low27.9Very low154 Ų154153 Ų15381%0.80678%0.784SS**  trans-169.1138132.1-126.777.2000111.4
810L25.7Very low28.3Very low138 Ų138149.6 Ų149.672%0.72379%0.785SS**  trans38.1132.7169.1-77.580.1000120.7
811Q24.9Very low28.3Very low149 Ų149149.4 Ų149.470%0.69679%0.788SS**  cis79.4130.747.6-160.8168.1-29.200111.1
812E25.6Very low28Very low128 Ų128155.7 Ų155.760%0.59880%0.797SS**  -166148.256-168.6127.6-127.900117.7
813Q25.1Very low27.7Very low163 Ų163152.5 Ų152.576%0.76279%0.785SS**  trans74.8170.8149.9-83.9164.648.200124
814Y25.8Very low27.4Very low222 Ų222148.7 Ų148.787%0.87177%0.773SS**  trans-147.7149.5-145-98.1-100.6000114.5
815R24.4Very low27.2Very low251 Ų251150.2 Ų150.295%0.94777%0.773SS**  trans170.8173.5139.1-101.9174.5-179179.21.3113.4
816A24.9Very low27.2Very low81 Ų81152.4 Ų152.467%0.66977%0.771SS**  -179120.6-92.100000112.9
817L24.2Very low27.2Very low171 Ų171149.5 Ų149.590%0.89577%0.771SS**  trans64.9170158.8-58.7173000118.4
818P34.5Very low27.2Very low123 Ų123146.3 Ų146.380%0.79977%0.771SS**  cis-129.6-169.4-6.825.3-0.1000116.3
819L27.2Very low27.4Very low162 Ų162145.3 Ų145.385%0.84877%0.769SS**  trans-80.7-163.3173.6-61.6169.3000111.8
820P41.7Very low27.5Very low106 Ų106141.6 Ų141.669%0.68877%0.767SS**  cis-154.1-165.512.644.1-19.7000120.2
821L26Very low27.6Very low152 Ų152138.9 Ų138.980%0.79677%0.773SS**  trans74.3156.1159.4-64.9165.8000118.8
822R26.2Very low27.9Very low230 Ų230141.6 Ų141.687%0.86878%0.782SS**  cis-175.9165.4-33.7-132.4-169.1173.4176.9-2.6106.5
823A24.7Very low28.7Very low77 Ų77141.5 Ų141.564%0.63679%0.793SS**  cis-143.1-127.91.900000109.4
824S25.4Very low28.8Very low93 Ų93145 Ų14565%0.6580%0.799SS**  cis-175.3135.2-5.723.90000113
825I29.7Very low29.1Very low151 Ų151139 Ų13977%0.77479%0.789SS**  60.8139.2124.5-54.7171.3000120.4
826D27.9Very low29.3Very low140 Ų140136 Ų13675%0.74978%0.784SS**  cis-177.8179.9-25.8-99-45.6000111.3
827S30.2Very low29.5Very low114 Ų114138.5 Ų138.580%0.79779%0.791SS**  trans107.5116.4161.2-40.90000115.1
828D27.3Very low29.9Very low160 Ų160138.1 Ų138.186%0.85679%0.789SS**  cis75.4139.533.4-151.353.1000113.6
829A28.8Very low30Very low87 Ų87137.3 Ų137.372%0.71978%0.783SS**  cis-139.2-166.515.700000112.2
830G28Very low30.1Very low75 Ų75140.1 Ų140.177%0.77378%0.783SS**  cis165.9-177.8300000112.4
831G27.1Very low29.4Very low81 Ų81141.3 Ų141.384%0.83578%0.783SS**  trans121.5140.9163.200000119.6
832K31.6Very low29.5Very low206 Ų206139.6 Ų139.690%0.89678%0.784SS**  trans-153.3162.9176.5-81.9177.9-175.6167.40107.8
833P41.2Very low29.5Very low127 Ų127132.1 Ų132.183%0.82578%0.779SS**  cis-150.8-152.641.344.6-20.9000117
834R28.2Very low29.7Very low236 Ų236136.2 Ų136.289%0.89179%0.789SS**  trans-74.7172.4177.8-69.5174.2166.9145.6-6.6112.7
835S31.1Very low29.9Very low95 Ų95140.8 Ų140.866%0.66480%0.8SS**  cis-170.717212.918.30000113.6
836F28.8Very low29.7Very low190 Ų190138.1 Ų138.183%0.83380%0.801SS**  trans98128.5141.1-91.9-64000123.3
837T29Very low29.7Very low133 Ų133139 Ų13982%0.81680%0.803SS**  trans89.2145.4149.211.10000123.7
838L32.6Very low29.6Very low163 Ų163141.7 Ų141.785%0.85381%0.808SS**  trans-92.8-178.2177.8-75.4171.3000110.1
839P37.9Very low29.5Very low105 Ų105138.6 Ų138.668%0.68281%0.805SS**  cis-151.4-176.925.346-25.4000119.2
840R28.1Very low29.4Very low221 Ų221138.7 Ų138.783%0.83481%0.806SS**  trans52.7157.7141.6-83.2179.1-178.5165.30.8120.1
841D28.1Very low29.3Very low131 Ų131141.6 Ų141.670%0.70181%0.808SS**  cis-154-171.713.4-119.4-30.2000111.2
842S27.1Very low29.2Very low116 Ų116142.7 Ų142.781%0.81181%0.809SS**  trans9.4150.915565.20000121.8
843G25.9Very low28.9Very low74 Ų74137.3 Ų137.376%0.76380%0.804SS**  cis165.1-178.415.600000110.9
844L30.5Very low28.3Very low163 Ų163136.5 Ų136.585%0.85380%0.801SS**  trans-94.6-177.4-168.3-68.7170.4000115.2
845H28.3Very low28.3Very low189 Ų189132.1 Ų132.188%0.87580%0.795SS**  trans91.1144.5174.7-59.1-77.6000116.6
846A25.5Very low28.2Very low95 Ų95134.1 Ų134.179%0.78579%0.794SS**  cis-160-177.9-15.200000110.6
847I29.5Very low28Very low158 Ų158135.3 Ų135.381%0.8179%0.793SS**  trans-104.6156.3-172-34.7177.3000111.7
848L27.9Very low27.8Very low170 Ų170137.1 Ų137.189%0.8979%0.792SS**  trans94.5100.3156.9-57.1177.1000120.5
849A24.8Very low27.4Very low95 Ų95134.1 Ų134.179%0.78578%0.781SS**  -162.7120.2129.800000106.8
850A26.1Very low26.7Very low90 Ų90136.8 Ų136.874%0.74478%0.784SS**  72.7133.670.200000113.1
851T26Very low26.5Very low135 Ų135132.3 Ų132.383%0.82878%0.777SS**  cis-168.2164.5-3.511.70000110.6
852A25Very low26.3Very low104 Ų104136.1 Ų136.186%0.8678%0.783SS**  trans72.1152.1162.500000117.3
853A26.1Very low26.2Very low94 Ų94139.2 Ų139.278%0.77778%0.784SS**  cis-148.9-179.81.500000113.6
854S28.7Very low26.6Very low109 Ų109143 Ų14376%0.76279%0.787SS**  trans-54.5178.2171.559.10000115.9
855D28.3Very low26.3Very low144 Ų144140.4 Ų140.477%0.7777%0.773SS**  cis-165.7177.619.1-155.6-2.9000113.6
856Q27Very low26Very low137 Ų137141.9 Ų141.964%0.6477%0.771SS**  trans123.4103.4143.5-61.6-148.82100119.7
857R25.2Very low26Very low216 Ų216141.6 Ų141.682%0.81577%0.769SS**  96115.2124.5-74.8-178.5-177.2-169.33.8122.1
858E24.6Very low25.8Very low171 Ų171145.6 Ų145.680%0.79977%0.774SS**  trans-63.8173.9145-48.3172.3116.900110.2
859T24.9Very low25.6Very low100 Ų100143.5 Ų143.561%0.61376%0.764SS**  cis-174.7155.947-4.20000110.5
860Q23.9Very low25.6Very low161 Ų161145.4 Ų145.475%0.75277%0.766SS**  trans67.4161.5149.3-70.2167.926.100117.9
861N23.4Very low25.5Very low127 Ų127144 Ų14468%0.67976%0.76SS**  cis-147176.15.1-137.1-17.3000115.1
862Y24.2Very low25.5Very low211 Ų211150 Ų15083%0.82777%0.767SS**  trans-49.8158.9168.3-83.9-109000115.7
863Q24.4Very low25.5Very low180 Ų180148.5 Ų148.584%0.84176%0.762SS**  -170.1155.299.8-160147.3-4.100114.1
864L33.4Very low25.5Very low155 Ų155155.9 Ų155.981%0.81277%0.77SS**  trans-145.7118.4175.5178.7159.4000108.7
865D24.5Very low25.3Very low108 Ų108157.9 Ų157.958%0.57877%0.772SS**  trans178158.9172.4-115.9-13.3000107.2
866R23.3Very low25.2Very low219 Ų219156.7 Ų156.783%0.82677%0.774SS**  cis-158.4171.1-18-149.4172-175.2130.6-8.9109.2
867A25.2Very low25.1Very low90 Ų90160.9 Ų160.974%0.74478%0.784SS**  trans-81.3153.7-176.500000115.5
868R25.8Very low25.2Very low241 Ų241159 Ų15991%0.90979%0.786SS**  trans154154.3153.4-92.7-179177.2172.10.7109.9
869D22.6Very low25.8Very low127 Ų127159.8 Ų159.868%0.67979%0.79SS**  cis-166.3159.1-26.1-152.8-24000108.3
870T25.5Very low26.1Very low134 Ų134160.6 Ų160.682%0.82280%0.795SS**  trans60.2156.1173.170.30000117.2
871G24.1Very low27.1Very low61 Ų61157.2 Ų157.263%0.62978%0.782SS**  cis151.6123.8-9.300000112.1
872R25Very low28.3Very low260 Ų260156.6 Ų156.698%0.98179%0.788SS**  trans68.6145.1-168.9-45.3174.7-169.2-92.9-0.3113
873G24.5Very low29.2Very low73 Ų73152.6 Ų152.675%0.75378%0.78SS**  cis150.3109.6-5.800000111.1
874R26.8Very low30.4Very low250 Ų250147.1 Ų147.194%0.94376%0.759SS**  trans-162135.4169.9-122.2-177.5-168.3-155.92111.9
875D25Very low31.2Very low151 Ų151144.1 Ų144.181%0.80774%0.743SS**  trans-85.4165.4-178.5-61-82000114.4
876C25.3Very low32.3Very low118 Ų118144 Ų14480%0.79774%0.742SS**  trans70.1129.4159.5-73.30000119.5
877R25.7Very low33.3Very low226 Ų226139.4 Ų139.485%0.85373%0.726SS**  trans65.2107160.9-59.1177.3177.1-176.1-1.4117.2
878M26.1Very low34.4Very low176 Ų176141.2 Ų141.287%0.86771%0.713SS**  -157.1164.389.4-96-55.7161.400111.8
879Q39Very low35.5Very low188 Ų188132.3 Ų132.388%0.87969%0.691SS**  trans-131.385.7-172.6-175-178.7800111.5
880T31.2Very low36.6Very low116 Ų116130.2 Ų130.271%0.71268%0.68SS**  trans-154.9150.1172.544.50000107.8
881D43.4Very low37.6Very low91 Ų91130.3 Ų130.349%0.48767%0.671SS.*  cis-14952.5-7.3-113.3-31.7000111.9L883 V884D881-L883 PolarHBondContact O-N 2.82Å; D881-V884 HydrophobicContact CB-CB 4.19Å; D881-V884 HydrophobicContact CB-CG2 4.04Å; D881-V884 PolarHBondContact O-N 2.9Å
882S49.3Very low38.4Very low114 Ų114135 Ų13580%0.79768%0.676SS**THydrogen-bonded Turntrans-55-15.8-172.4-172.40000116.3
883L43.4Very low39.4Very low126 Ų126126.5 Ų126.566%0.6665%0.654SS**THydrogen-bonded Turntrans-93.5-31.6177.5-136.2165.2000112.3D881 L886 Y887D881-L883 PolarHBondContact O-N 2.82Å; L883-L886 PolarHBondContact O-N 3.38Å; L883-Y887 HydrophobicContact CD2-CD2 4.22Å; L883-Y887 PolarHBondContact O-N 3.42Å
884V50.3Low40.4Very low66 Ų66128.2 Ų128.240%0.465%0.654SS.*Hα-helixtrans-69.9-44.1-179.1-178.90000110.8D881 L886 Y887 R888D881-V884 HydrophobicContact CB-CB 4.19Å; D881-V884 HydrophobicContact CB-CG2 4.04Å; D881-V884 PolarHBondContact O-N 2.9Å; V884-L886 VanDerWaalsContact C-N 3.26Å; V884-L886 PolarHBondContact O-N 3.02Å; V884-Y887 WeakPolarHBondContact O-CB 3.43Å; V884-Y887 PolarHBondContact O-N 2.98Å; V884-Y887 VanDerWaalsContact O-N 3.16Å; V884-R888 WeakPolarHBondContact O-CB 3.49Å; V884-R888 PolarHBondContact O-N 3.47Å
885D48.9Very low40.9Very low91 Ų91122.5 Ų122.549%0.48764%0.641SS.*Hα-helixtrans-70.9-24.5178-69.7-30.7000112.7R888 A889D885-R888 IonicContact OD1-CZ 3.39Å; D885-R888 IonicContact OD1-NE 2.74Å; D885-R888 PolarHBondContact OD1-NE 2.91Å; D885-R888 IonicContact OD1-NH2 2.61Å; D885-R888 PolarHBondContact OD1-NH2 3.27Å; D885-R888 VanDerWaalsContact OD1-NH2 3.14Å; D885-A889 VanDerWaalsContact O-CB 3.27Å; D885-A889 WeakPolarHBondContact O-CB 3.48Å; D885-A889 PolarHBondContact O-N 3.32Å
886L47.2Very low41.1Very low106 Ų106120.5 Ų120.556%0.55564%0.639SS**Hα-helixtrans-71-38.2170.7-147.3164.3000110.9L883 V884 L890L883-L886 PolarHBondContact O-N 3.38Å; V884-L886 VanDerWaalsContact C-N 3.26Å; V884-L886 PolarHBondContact O-N 3.02Å; L886-L890 HydrophobicContact CD2-CD1 3.99Å; L886-L890 WeakPolarHBondContact O-CG 3.46Å; L886-L890 PolarHBondContact O-N 3.09Å; L886-L890 VanDerWaalsContact O-N 3.11Å
887Y45.8Very low41.7Very low122 Ų122120.1 Ų120.148%0.47863%0.633SS.*Hα-helixtrans-64.9-46.1170.4-120.9-89.1000112L883 V884 A889 L890 E891 T897L883-Y887 HydrophobicContact CD2-CD2 4.22Å; L883-Y887 PolarHBondContact O-N 3.42Å; V884-Y887 WeakPolarHBondContact O-CB 3.43Å; V884-Y887 PolarHBondContact O-N 2.98Å; V884-Y887 VanDerWaalsContact O-N 3.16Å; Y887-A889 VanDerWaalsContact C-N 3.31Å; Y887-A889 PolarHBondContact O-N 3.41Å; Y887-L890 WeakPolarHBondContact O-CA 3.14Å; Y887-L890 WeakPolarHBondContact O-CB 3.41Å; Y887-L890 PolarHBondContact O-N 2.97Å; Y887-E891 PolarHBondContact O-N 3.48Å; Y887-T897 HydrophobicContact CE1-CG2 4.36Å
888R46.4Very low42Very low128 Ų128114 Ų11448%0.48363%0.625SS.*Hα-helixtrans-60-40.1177.4-161-165-52.4-86.73.9111.8V884 D885 L890 Q892V884-R888 WeakPolarHBondContact O-CB 3.49Å; V884-R888 PolarHBondContact O-N 3.47Å; D885-R888 IonicContact OD1-CZ 3.39Å; D885-R888 IonicContact OD1-NE 2.74Å; D885-R888 PolarHBondContact OD1-NE 2.91Å; D885-R888 IonicContact OD1-NH2 2.61Å; D885-R888 PolarHBondContact OD1-NH2 3.27Å; D885-R888 VanDerWaalsContact OD1-NH2 3.14Å; R888-L890 VanDerWaalsContact C-N 3.34Å; R888-Q892 WeakPolarHBondContact O-CG 3.41Å; R888-Q892 PolarHBondContact O-N 3.25Å; R888-Q892 VanDerWaalsContact O-N 3.13Å
889A49.1Very low42.7Very low54 Ų54110.7 Ų110.745%0.44663%0.626SS.*Hα-helixtrans-67.8-31.5173.700000112.8D885 Y887 T893D885-A889 VanDerWaalsContact O-CB 3.27Å; D885-A889 WeakPolarHBondContact O-CB 3.48Å; D885-A889 PolarHBondContact O-N 3.32Å; Y887-A889 VanDerWaalsContact C-N 3.31Å; Y887-A889 PolarHBondContact O-N 3.41Å; A889-T893 WeakPolarHBondContact O-CG2 3.3Å; A889-T893 PolarHBondContact O-OG1 3.21Å
890L47Very low42.3Very low84 Ų84109.4 Ų109.444%0.4463%0.625SS.*Hα-helixtrans-70.8-45.2173.4-80.5162.6000111.8L886 Y887 R888 Q892 T893L886-L890 HydrophobicContact CD2-CD1 3.99Å; L886-L890 WeakPolarHBondContact O-CG 3.46Å; L886-L890 PolarHBondContact O-N 3.09Å; L886-L890 VanDerWaalsContact O-N 3.11Å; Y887-L890 WeakPolarHBondContact O-CA 3.14Å; Y887-L890 WeakPolarHBondContact O-CB 3.41Å; Y887-L890 PolarHBondContact O-N 2.97Å; R888-L890 VanDerWaalsContact C-N 3.34Å; L890-Q892 VanDerWaalsContact C-N 3.33Å; L890-Q892 PolarHBondContact O-N 2.93Å; L890-T893 CarbonylContact O-C 3.6Å; L890-T893 WeakPolarHBondContact O-CA 3.25Å; L890-T893 PolarHBondContact O-N 3.26Å; L890-T893 PolarHBondContact O-OG1 2.73Å
891E44.9Very low42.8Very low135 Ų135112.8 Ų112.863%0.63163%0.633SS**Hα-helixtrans-56.6-44.8174.8-71.3-174.7128.200112Y887 T893 S894Y887-E891 PolarHBondContact O-N 3.48Å; E891-T893 PolarHBondContact O-N 3.38Å; E891-S894 PolarHBondContact O-N 2.91Å; E891-S894 VanDerWaalsContact O-N 3.08Å
892Q41.2Very low42.1Very low160 Ų160120.2 Ų120.275%0.74865%0.654SS**THydrogen-bonded Turntrans-63.7-8174.9-71.4-1794.800114.1R888 L890R888-Q892 WeakPolarHBondContact O-CG 3.41Å; R888-Q892 PolarHBondContact O-N 3.25Å; R888-Q892 VanDerWaalsContact O-N 3.13Å; L890-Q892 VanDerWaalsContact C-N 3.33Å; L890-Q892 PolarHBondContact O-N 2.93Å
893T45.8Very low41.6Very low82 Ų82120.8 Ų120.850%0.50366%0.658SS.*THydrogen-bonded Turntrans-109.620.7174.462.40000114.3A889 L890 E891 L895A889-T893 WeakPolarHBondContact O-CG2 3.3Å; A889-T893 PolarHBondContact O-OG1 3.21Å; L890-T893 CarbonylContact O-C 3.6Å; L890-T893 WeakPolarHBondContact O-CA 3.25Å; L890-T893 PolarHBondContact O-N 3.26Å; L890-T893 PolarHBondContact O-OG1 2.73Å; E891-T893 PolarHBondContact O-N 3.38Å; T893-L895 PolarHBondContact O-N 2.99Å
894S45.8Very low41.3Very low109 Ų109118.5 Ų118.576%0.76266%0.657SS**THydrogen-bonded Turntrans52.752.8164.569.50000115E891E891-S894 PolarHBondContact O-N 2.91Å; E891-S894 VanDerWaalsContact O-N 3.08Å
895L36.9Very low40.7Very low129 Ų129117.3 Ų117.368%0.67566%0.658SS**  trans-126.7100.9170.2-71174000109.4T893T893-L895 PolarHBondContact O-N 2.99Å
896S29.5Very low40.3Very low110 Ų110124 Ų12477%0.76968%0.677SS**  trans-64.5131.5-173.2-500000113.1S898S896-S898 PolarHBondContact O-N 3.22Å
897T38.5Very low40Very low109 Ų109125 Ų12567%0.66968%0.682SS**  trans-93.856.4176.153.70000112.2Y887Y887-T897 HydrophobicContact CE1-CG2 4.36Å
898S32.5Very low39.9Very low97 Ų97124.3 Ų124.368%0.67868%0.683SS**SBendtrans-149.4154.7169.6570000110.6S896 D900S896-S898 PolarHBondContact O-N 3.22Å; S898-D900 PolarHBondContact O-N 3.4Å
899A41.2Very low39.9Very low108 Ų108126.5 Ų126.589%0.89369%0.692SS**  trans-79.4109.4-176.300000111.1
900D29.8Very low39.5Very low161 Ų161131 Ų13186%0.86170%0.702SS**  trans-152.1148.6162.8-134.9-28.1000111.8S898 R902S898-D900 PolarHBondContact O-N 3.4Å; D900-R902 PolarHBondContact O-N 3.05Å
901H42Very low39.3Very low187 Ų187135.2 Ų135.287%0.86671%0.712SS**  trans-87.6113.3-169.5-87.4-61.9000113.4
902R29.5Very low39.4Very low247 Ų247131.9 Ų131.993%0.93270%0.703SS**  trans-133.6138.6154.3-74-166.2173.4-166.9-1.7112.7D900 A904D900-R902 PolarHBondContact O-N 3.05Å; R902-A904 PolarHBondContact O-N 2.99Å; R902-A904 VanDerWaalsContact O-N 3.13Å
903S37.3Very low39.5Very low126 Ų126131 Ų13188%0.88170%0.698SS**  trans-84.976.6-171.337.30000113G905S903-G905 PolarHBondContact O-N 3.45Å
904A36.6Very low39.5Very low77 Ų77132.7 Ų132.764%0.63671%0.707SS**  trans-59.4126.3173.300000111.8R902R902-A904 PolarHBondContact O-N 2.99Å; R902-A904 VanDerWaalsContact O-N 3.13Å
905G39.3Very low39.5Very low41 Ų41137.9 Ų137.942%0.42371%0.71SS.*  trans-72.2155.1-170.800000114.4S903 L907 E908S903-G905 PolarHBondContact O-N 3.45Å; G905-L907 PolarHBondContact O-N 2.93Å; G905-E908 VanDerWaalsContact O-CB 3.31Å; G905-E908 WeakPolarHBondContact O-CB 3.44Å; G905-E908 PolarHBondContact O-N 3.21Å
906R40.5Very low40Very low233 Ų233141.9 Ų141.988%0.87972%0.716SS**THydrogen-bonded Turntrans-53.6-21.8180-167.3178.8-175.6-171.43.5114.7
907L41.1Very low41.2Very low126 Ų126139.9 Ų139.966%0.6670%0.699SS**THydrogen-bonded Turntrans-76-32.2174.6-73.8166.3000113.2G905 K910 R911G905-L907 PolarHBondContact O-N 2.93Å; L907-K910 WeakPolarHBondContact O-CB 3.35Å; L907-K910 PolarHBondContact O-N 3.29Å; L907-R911 WeakPolarHBondContact O-CG 3.47Å; L907-R911 PolarHBondContact O-N 2.67Å
908E42.1Very low41.6Very low107 Ų107142.8 Ų142.850%0.571%0.711SS.*Hα-helixtrans-73.3-43-178.3-160140.2-110.700111G905 K910 R911 S912G905-E908 VanDerWaalsContact O-CB 3.31Å; G905-E908 WeakPolarHBondContact O-CB 3.44Å; G905-E908 PolarHBondContact O-N 3.21Å; E908-K910 PolarHBondContact O-N 2.95Å; E908-R911 WeakPolarHBondContact O-CB 3.48Å; E908-R911 PolarHBondContact O-N 3.03Å; E908-S912 PolarHBondContact O-N 2.72Å
909Y46.4Very low42.5Very low174 Ų174141.5 Ų141.568%0.68270%0.696SS**Hα-helixtrans-61.1-24.7169.8-146.7-85.8000113S912 F913Y909-S912 PolarHBondContact O-OG 3Å; Y909-F913 HydrophobicContact CE1-CE2 4.44Å
910K42.3Very low43.1Very low148 Ų148141 Ų14164%0.64368%0.684SS**Hα-helixtrans-78-34.5169.8-98.2-173.9172.5-175.70112.7L907 E908 V914L907-K910 WeakPolarHBondContact O-CB 3.35Å; L907-K910 PolarHBondContact O-N 3.29Å; E908-K910 PolarHBondContact O-N 2.95Å; K910-V914 WeakPolarHBondContact O-CG2 3.41Å
911R42.4Very low44.4Very low173 Ų173139.1 Ų139.165%0.65367%0.673SS**Hα-helixtrans-69.6-40.7178.6-73.2169.6176166.9-2.5112L907 E908 F913 V914L907-R911 WeakPolarHBondContact O-CG 3.47Å; L907-R911 PolarHBondContact O-N 2.67Å; E908-R911 WeakPolarHBondContact O-CB 3.48Å; E908-R911 PolarHBondContact O-N 3.03Å; R911-F913 VanDerWaalsContact C-N 3.26Å; R911-F913 PolarHBondContact O-N 3.36Å; R911-V914 PolarHBondContact O-N 2.76Å; R911-V914 VanDerWaalsContact O-N 3.12Å
912S46.7Very low45.1Very low65 Ų65134 Ų13446%0.45565%0.652SS.*Hα-helixtrans-64-28.4176.958.90000113.5E908 Y909 V914E908-S912 PolarHBondContact O-N 2.72Å; Y909-S912 PolarHBondContact O-OG 3Å; S912-V914 VanDerWaalsContact C-N 3.32Å; S912-V914 PolarHBondContact O-N 3.32Å
913F44.2Very low47Very low143 Ų143124.4 Ų124.463%0.62762%0.619SS**THydrogen-bonded Turntrans-72.4-19.5174.2-114.2-86.9000114.4Y909 R911Y909-F913 HydrophobicContact CE1-CE2 4.44Å; R911-F913 VanDerWaalsContact C-N 3.26Å; R911-F913 PolarHBondContact O-N 3.36Å
914V44.2Very low48.2Very low117 Ų117121.8 Ų121.871%0.70960%0.595SS**THydrogen-bonded Turntrans-97.6-21.7-171.2172.80000113.1K910 R911 S912 R916K910-V914 WeakPolarHBondContact O-CG2 3.41Å; R911-V914 PolarHBondContact O-N 2.76Å; R911-V914 VanDerWaalsContact O-N 3.12Å; S912-V914 VanDerWaalsContact C-N 3.32Å; S912-V914 PolarHBondContact O-N 3.32Å; V914-R916 PolarHBondContact O-N 2.96Å
915R47.6Very low49.5Very low218 Ų218124.8 Ų124.882%0.82359%0.594SS**  trans-6998171-76.7-173.4175173.2-1.3110.5
916R45.5Very low50.7Low212 Ų212125.6 Ų125.680%0.859%0.588SS**  trans-81.5142.5157.4-57.2-176.4-172.2-1640.8108.2V914 N923V914-R916 PolarHBondContact O-N 2.96Å; R916-N923 WeakPolarHBondContact CA-OD1 3.42Å
917V56.2Low52Low68 Ų68119.9 Ų119.941%0.41257%0.571SS.*  trans-80.1157165.6-1740000108D919 L922 N923V917-D919 PolarHBondContact O-N 2.88Å; V917-L922 HydrophobicContact CB-CD2 4.29Å; V917-L922 HydrophobicContact CG1-CD2 4.05Å; V917-L922 HydrophobicContact CG2-CD2 4.18Å; V917-N923 PolarHBondContact N-OD1 3.49Å; V917-N923 PolarHBondContact O-ND2 3Å
918N45.2Very low52.9Low170 Ų170121.1 Ų121.191%0.90957%0.567SS**SBendtrans-71.6-12.6179.6-71.7-14.2000113.6
919D51.7Low53.6Low70 Ų70121.3 Ų121.337%0.37457%0.571SS.*  trans-85.1118.9172.9177.4-1.6000111.2V917 L921 L922 N923V917-D919 PolarHBondContact O-N 2.88Å; D919-L921 WeakPolarHBondContact OD1-CA 3.35Å; D919-L921 WeakPolarHBondContact OD1-CB 3.33Å; D919-L921 PolarHBondContact OD1-N 3.27Å; D919-L922 HydrophobicContact CB-CB 3.98Å; D919-L922 PolarHBondContact OD1-N 3.47Å; D919-L922 WeakPolarHBondContact OD2-CB 3.39Å; D919-N923 PolarHBondContact O-N 3.21Å; D919-N923 PolarHBondContact O-ND2 3.23Å
920P55.3Low54.4Low97 Ų97118.3 Ų118.363%0.6356%0.558SS**Hα-helixtrans-67.3-32.1176.728.7-34.7000113.7N923 D924P920-N923 PolarHBondContact O-N 3.07Å; P920-D924 PolarHBondContact O-N 3.45Å
921L55.6Low55.3Low123 Ų123115.4 Ų115.464%0.64455%0.549SS*.Hα-helixtrans-72.2-39.2-180-66.1172.4000111.2D919 D924 K925D919-L921 WeakPolarHBondContact OD1-CA 3.35Å; D919-L921 WeakPolarHBondContact OD1-CB 3.33Å; D919-L921 PolarHBondContact OD1-N 3.27Å; L921-D924 PolarHBondContact O-N 2.99Å; L921-K925 WeakPolarHBondContact O-CG 3.35Å; L921-K925 PolarHBondContact O-N 2.81Å
922L57.9Low55.6Low80 Ų80112.1 Ų112.142%0.41954%0.544SS..Hα-helixtrans-66.5-38.2173.2-165.470.7000111.6V917 D919 K925 L926V917-L922 HydrophobicContact CB-CD2 4.29Å; V917-L922 HydrophobicContact CG1-CD2 4.05Å; V917-L922 HydrophobicContact CG2-CD2 4.18Å; D919-L922 HydrophobicContact CB-CB 3.98Å; D919-L922 PolarHBondContact OD1-N 3.47Å; D919-L922 WeakPolarHBondContact OD2-CB 3.39Å; L922-K925 PolarHBondContact O-N 3.16Å; L922-L926 WeakPolarHBondContact O-CB 3.48Å; L922-L926 PolarHBondContact O-N 2.6Å
923N68.1Low55.8Low45 Ų45115.3 Ų115.324%0.24155%0.551CS.*Hα-helixtrans-61.7-42172.7-74.8-51.5000112.2R916 V917 D919 P920 L926 H927R916-N923 WeakPolarHBondContact CA-OD1 3.42Å; V917-N923 PolarHBondContact N-OD1 3.49Å; V917-N923 PolarHBondContact O-ND2 3Å; D919-N923 PolarHBondContact O-N 3.21Å; D919-N923 PolarHBondContact O-ND2 3.23Å; P920-N923 PolarHBondContact O-N 3.07Å; N923-L926 PolarHBondContact O-N 3.01Å; N923-H927 WeakPolarHBondContact O-CB 3.37Å; N923-H927 PolarHBondContact O-N 3.35Å
924D64.3Low55.7Low71 Ų71111.6 Ų111.638%0.3854%0.543SS..Hα-helixtrans-69.1-39.6179.2-165.458.9000111.8P920 L921 L926 H927 R928P920-D924 PolarHBondContact O-N 3.45Å; L921-D924 PolarHBondContact O-N 2.99Å; D924-L926 PolarHBondContact O-N 2.7Å; D924-H927 PolarHBondContact O-N 3Å; D924-R928 WeakPolarHBondContact O-CG 3.47Å; D924-R928 PolarHBondContact O-N 3.02Å; D924-R928 IonicContact OD2-CZ 3.25Å; D924-R928 IonicContact OD2-NE 2.99Å; D924-R928 PolarHBondContact OD2-NE 3.23Å; D924-R928 IonicContact OD2-NH2 2.95Å; D924-R928 PolarHBondContact OD2-NH2 2.59Å
925K63.1Low55.6Low139 Ų139109.2 Ų109.260%0.60453%0.532SS*.Hα-helixtrans-60.3-43.9170.3-72.9177.4179.9178.70112L921 L922 H927 R928 L929L921-K925 WeakPolarHBondContact O-CG 3.35Å; L921-K925 PolarHBondContact O-N 2.81Å; L922-K925 PolarHBondContact O-N 3.16Å; K925-H927 VanDerWaalsContact C-N 3.34Å; K925-H927 PolarHBondContact O-N 2.92Å; K925-R928 PolarHBondContact O-N 3.42Å; K925-L929 WeakPolarHBondContact O-CB 3.1Å; K925-L929 PolarHBondContact O-N 2.98Å
926L64.6Low55.4Low59 Ų59105.2 Ų105.231%0.30953%0.526SS..Hα-helixtrans-63.2-37.6172.8-97.1164.7000112.3L922 N923 D924 R930L922-L926 WeakPolarHBondContact O-CB 3.48Å; L922-L926 PolarHBondContact O-N 2.6Å; N923-L926 PolarHBondContact O-N 3.01Å; D924-L926 PolarHBondContact O-N 2.7Å; L926-R930 WeakPolarHBondContact O-CB 3.32Å; L926-R930 WeakPolarHBondContact O-CD 3.03Å; L926-R930 WeakPolarHBondContact O-CG 3.23Å; L926-R930 PolarHBondContact O-N 3.41Å
927H68.5Low55.3Low112 Ų112102.9 Ų102.952%0.51952%0.521SS..Hα-helixtrans-66.5-43177.2-162.8-17.8000111.1N923 D924 K925 R930 I931N923-H927 WeakPolarHBondContact O-CB 3.37Å; N923-H927 PolarHBondContact O-N 3.35Å; D924-H927 PolarHBondContact O-N 3Å; K925-H927 VanDerWaalsContact C-N 3.34Å; K925-H927 PolarHBondContact O-N 2.92Å; H927-R930 PolarHBondContact O-N 3.11Å; H927-I931 WeakPolarHBondContact ND1-CD1 3.28Å; H927-I931 VanDerWaalsContact O-CG1 3.27Å; H927-I931 WeakPolarHBondContact O-CG1 3.47Å; H927-I931 PolarHBondContact O-N 3.2Å
928R59.3Low54.4Low153 Ų153106 Ų10658%0.57754%0.536SS*.Hα-helixtrans-63.8-44.3174.7-68.6172-164.5-103.1-2.4112D924 K925 R930 I931 L932D924-R928 WeakPolarHBondContact O-CG 3.47Å; D924-R928 PolarHBondContact O-N 3.02Å; D924-R928 IonicContact OD2-CZ 3.25Å; D924-R928 IonicContact OD2-NE 2.99Å; D924-R928 PolarHBondContact OD2-NE 3.23Å; D924-R928 IonicContact OD2-NH2 2.95Å; D924-R928 PolarHBondContact OD2-NH2 2.59Å; K925-R928 PolarHBondContact O-N 3.42Å; R928-R930 PolarHBondContact O-N 2.83Å; R928-I931 PolarHBondContact O-N 3.31Å; R928-L932 WeakPolarHBondContact O-CG 3.45Å; R928-L932 PolarHBondContact O-N 3.45Å
929L56.6Low53.7Low111 Ų111102.6 Ų102.658%0.58152%0.521SS*.Hα-helixtrans-61.4-41.3173.7-88.2166.2000112.4K925 L932 H933K925-L929 WeakPolarHBondContact O-CB 3.1Å; K925-L929 PolarHBondContact O-N 2.98Å; L929-L932 PolarHBondContact O-N 3.26Å; L929-H933 WeakPolarHBondContact O-CB 3.26Å; L929-H933 PolarHBondContact O-N 2.78Å
930R64.1Low52.9Low111 Ų111104.6 Ų104.642%0.41954%0.538SS..Hα-helixtrans-65.5-36.7175.1-72.7166.4-177.8-178.2-0.4112.3L926 H927 R928 S934L926-R930 WeakPolarHBondContact O-CB 3.32Å; L926-R930 WeakPolarHBondContact O-CD 3.03Å; L926-R930 WeakPolarHBondContact O-CG 3.23Å; L926-R930 PolarHBondContact O-N 3.41Å; H927-R930 PolarHBondContact O-N 3.11Å; R928-R930 PolarHBondContact O-N 2.83Å; R930-S934 WeakPolarHBondContact O-CB 3.35Å; R930-S934 PolarHBondContact O-N 3.17Å
931I59.8Low51.7Low86 Ų86108 Ų10844%0.44155%0.55SS..Hα-helixtrans-64.1-52.7172.1-70.4161.4000110H927 R928 H933 S934 S935H927-I931 WeakPolarHBondContact ND1-CD1 3.28Å; H927-I931 VanDerWaalsContact O-CG1 3.27Å; H927-I931 WeakPolarHBondContact O-CG1 3.47Å; H927-I931 PolarHBondContact O-N 3.2Å; R928-I931 PolarHBondContact O-N 3.31Å; I931-H933 VanDerWaalsContact C-N 3.33Å; I931-H933 PolarHBondContact O-N 2.96Å; I931-S934 WeakPolarHBondContact O-CA 3.48Å; I931-S934 WeakPolarHBondContact O-CB 3.27Å; I931-S934 PolarHBondContact O-N 3.47Å; I931-S934 PolarHBondContact O-OG 3.01Å; I931-S935 PolarHBondContact O-N 3.26Å; I931-S935 PolarHBondContact O-OG 3.1Å
932L49.8Very low50.6Low104 Ų104110.6 Ų110.655%0.54556%0.559SS.*Hα-helixtrans-58.1-43.2179.4-71.4167.8000112.3R928 L929 S934 S935 L936R928-L932 WeakPolarHBondContact O-CG 3.45Å; R928-L932 PolarHBondContact O-N 3.45Å; L929-L932 PolarHBondContact O-N 3.26Å; L932-S934 VanDerWaalsContact C-N 3.29Å; L932-S934 PolarHBondContact O-N 3.19Å; L932-S935 PolarHBondContact O-N 3.25Å; L932-L936 WeakPolarHBondContact O-CB 3.19Å; L932-L936 WeakPolarHBondContact O-CG 3.44Å; L932-L936 PolarHBondContact O-N 2.82Å
933H49.6Very low49.4Very low133 Ų133114.5 Ų114.562%0.61658%0.58SS**Hα-helixtrans-68.6-26.3175.9-162.4-37.2000112.5L929 I931 K937L929-H933 WeakPolarHBondContact O-CB 3.26Å; L929-H933 PolarHBondContact O-N 2.78Å; I931-H933 VanDerWaalsContact C-N 3.33Å; I931-H933 PolarHBondContact O-N 2.96Å; H933-K937 PolarHBondContact O-N 3.3Å
934S43.5Very low47.6Very low65 Ų65118 Ų11846%0.45560%0.603SS.*Hα-helixtrans-73.5-37.9170.4760000112.4R930 I931 L932 K937R930-S934 WeakPolarHBondContact O-CB 3.35Å; R930-S934 PolarHBondContact O-N 3.17Å; I931-S934 WeakPolarHBondContact O-CA 3.48Å; I931-S934 WeakPolarHBondContact O-CB 3.27Å; I931-S934 PolarHBondContact O-N 3.47Å; I931-S934 PolarHBondContact O-OG 3.01Å; L932-S934 VanDerWaalsContact C-N 3.29Å; L932-S934 PolarHBondContact O-N 3.19Å; S934-K937 PolarHBondContact O-N 3.39Å
935S42.3Very low45.8Very low67 Ų67121.9 Ų121.947%0.46962%0.624SS.*Hα-helixtrans-68.3-44.1175.7-58.80000112.3I931 L932 K937 N938I931-S935 PolarHBondContact O-N 3.26Å; I931-S935 PolarHBondContact O-OG 3.1Å; L932-S935 PolarHBondContact O-N 3.25Å; S935-K937 PolarHBondContact O-N 3.07Å; S935-N938 PolarHBondContact O-N 3.21Å
936L42.6Very low44.3Very low133 Ų133127.2 Ų127.270%0.69664%0.64SS**Hα-helixtrans-63.9-18.9176.1-75.4168.1000113.1L932 N938L932-L936 WeakPolarHBondContact O-CB 3.19Å; L932-L936 WeakPolarHBondContact O-CG 3.44Å; L932-L936 PolarHBondContact O-N 2.82Å; L936-N938 VanDerWaalsContact C-N 3.28Å; L936-N938 PolarHBondContact O-N 2.98Å
937K43.7Very low42.7Very low164 Ų164130.3 Ų130.371%0.71367%0.667SS**THydrogen-bonded Turntrans-79.7-7.6174.4-132.4179.9-176.8-176.70114.2H933 S934 S935H933-K937 PolarHBondContact O-N 3.3Å; S934-K937 PolarHBondContact O-N 3.39Å; S935-K937 PolarHBondContact O-N 3.07Å
938N36.3Very low40.9Very low134 Ų134133.2 Ų133.272%0.71769%0.685SS**THydrogen-bonded Turntrans-110.817.7-177.1-67.7-17.4000113.1S935 L936S935-N938 PolarHBondContact O-N 3.21Å; L936-N938 VanDerWaalsContact C-N 3.28Å; L936-N938 PolarHBondContact O-N 2.98Å
939V30.5Very low39.4Very low97 Ų97128.7 Ų128.759%0.58869%0.686SS**  trans-100.6112.7171.8-178.70000109L941V939-L941 PolarHBondContact O-N 2.79Å
940P34.6Very low38.2Very low113 Ų113133.3 Ų133.373%0.73470%0.702SS**  trans-70.9123.4167.6-10.426.7000109Q942P940-Q942 PolarHBondContact O-N 3.02Å
941L30.7Very low36.8Very low169 Ų169135.3 Ų135.389%0.88572%0.72SS**  trans-75.4109.2161.9-71.1170.9000107.7V939V939-L941 PolarHBondContact O-N 2.79Å
942Q31.9Very low35.5Very low177 Ų177142.3 Ų142.383%0.82776%0.758SS**  trans-106.2147.8158.1-87.8-170.5-26.800109.3P940P940-Q942 PolarHBondContact O-N 3.02Å
943D33.4Very low34.7Very low161 Ų161144.3 Ų144.386%0.86177%0.769SS**  trans-73.8140.5-160.2-51.6-90.7000114.3
944T29.6Very low34Very low120 Ų120144.8 Ų144.874%0.73678%0.777SS**  trans-138.2133.4155.757.60000110.2
945N28.2Very low33.4Very low152 Ų152149.3 Ų149.381%0.81380%0.795SS**  trans64.9108.3174.4-46.6-63.5000115.1
946R30.4Very low32.9Very low251 Ų251154.1 Ų154.195%0.94781%0.814SS**  -157.1134.559.3-82.5174.5168.2-179-5.5113
947S31.4Very low32.3Very low123 Ų123155.4 Ų155.486%0.8682%0.822SS**  trans-136.998.2147.4-178.10000107.7
948L31.4Very low31.5Very low174 Ų174154.9 Ų154.991%0.91183%0.829SS**  trans-169.4105.9169.2-115.4167.3000110.7
949G27.2Very low31.2Very low58 Ų58156.4 Ų156.460%0.59884%0.837SS**  trans77.5106.9136.700000121
950F32Very low31.3Very low208 Ų208160.9 Ų160.991%0.91286%0.856SS**  73.5145.4125.6-75.5-77.8000122.9
951L33.1Very low31Very low153 Ų153164.9 Ų164.980%0.80187%0.866SS**  trans84.1124.9163.9-67.4159.4000118
952D32.7Very low31Very low233 Ų233164.5 Ų164.5100%1.24687%0.865SS**  trans51.60166.9-50.9-12.6000119.5

Retrieved 952 of 952 residues in 1193.9 ms (Link to these results)

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