A0A077ZA89_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZA89, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 764 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
1M43.2Very low60.2Low137 Ų13787 Ų8768%0.67543%0.434SS*.  0148.20-68-62.8-142.500109.4R5M1-R5 HydrophobicContact SD-CB 4.42Å
2S43.6Very low60.8Low73 Ų7387.6 Ų87.651%0.5143%0.432SS..  trans-85.2149.1165.359.40000109.3R4 R5S2-R4 PolarHBondContact O-N 2.87Å; S2-R5 WeakPolarHBondContact O-CB 3.45Å; S2-R5 PolarHBondContact O-N 2.98Å
3G52.6Low61Low46 Ų4681.5 Ų81.547%0.47441%0.405SS..Hα-helixtrans-56.5-26.9-175.200000114.8R5 S6 D7G3-R5 VanDerWaalsContact C-N 3.28Å; G3-R5 PolarHBondContact O-N 2.82Å; G3-S6 WeakPolarHBondContact CA-OG 3.41Å; G3-S6 PolarHBondContact O-N 2.75Å; G3-S6 PolarHBondContact O-OG 3.07Å; G3-D7 VanDerWaalsContact O-CG 3.26Å; G3-D7 PolarHBondContact O-N 3.45Å; G3-D7 VanDerWaalsContact O-N 3.08Å
4R53.3Low61.4Low207 Ų20782.4 Ų82.478%0.78141%0.405SS*.Hα-helixtrans-62.9-31.6173.1-63.3-171-176-164.31.7113.3S2 D8S2-R4 PolarHBondContact O-N 2.87Å; R4-D8 WeakPolarHBondContact O-CB 3.43Å; R4-D8 PolarHBondContact O-N 3.18Å; R4-D8 VanDerWaalsContact O-N 3.07Å
5R60.3Low61.9Low155 Ų15583.4 Ų83.459%0.58542%0.423SS*.Hα-helixtrans-73.9-36.5177.7-74.3-169.7177-176.4-0.1112.4M1 S2 G3 L9M1-R5 HydrophobicContact SD-CB 4.42Å; S2-R5 WeakPolarHBondContact O-CB 3.45Å; S2-R5 PolarHBondContact O-N 2.98Å; G3-R5 VanDerWaalsContact C-N 3.28Å; G3-R5 PolarHBondContact O-N 2.82Å; R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CD1 3.38Å; R5-L9 VanDerWaalsContact O-CG 3.23Å; R5-L9 WeakPolarHBondContact O-CG 3.46Å; R5-L9 PolarHBondContact O-N 2.89Å; R5-L9 VanDerWaalsContact O-N 3.1Å
6S60.6Low61.9Low14 Ų1483 Ų8310%0.09842%0.422CS..Hα-helixtrans-66.8-46174.246.80000110.2G3 D8 L9 I10G3-S6 WeakPolarHBondContact CA-OG 3.41Å; G3-S6 PolarHBondContact O-N 2.75Å; G3-S6 PolarHBondContact O-OG 3.07Å; S6-D8 PolarHBondContact O-N 3.42Å; S6-L9 PolarHBondContact O-N 3.31Å; S6-L9 VanDerWaalsContact O-N 3.13Å; S6-I10 WeakPolarHBondContact O-CB 3.46Å; S6-I10 VanDerWaalsContact O-CD1 3.25Å; S6-I10 WeakPolarHBondContact O-CD1 3.34Å; S6-I10 WeakPolarHBondContact O-CG1 3.39Å; S6-I10 PolarHBondContact O-N 2.83Å
7D66.5Low61.8Low92 Ų9278.7 Ų78.749%0.49240%0.402SS..Hα-helixtrans-59-47177.9-63.8-20.4000111.9G3 L9 I10 E11G3-D7 VanDerWaalsContact O-CG 3.26Å; G3-D7 PolarHBondContact O-N 3.45Å; G3-D7 VanDerWaalsContact O-N 3.08Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 2.86Å; D7-I10 PolarHBondContact O-N 3.11Å; D7-E11 WeakPolarHBondContact O-CB 3.24Å; D7-E11 WeakPolarHBondContact O-CG 3.35Å; D7-E11 PolarHBondContact O-N 3.47Å
8D71.3Confident61.5Low90 Ų9077.9 Ų77.948%0.48142%0.416SS..Hα-helixtrans-59.8-37.5175.2-85-9.8000113.3R4 S6 K12R4-D8 WeakPolarHBondContact O-CB 3.43Å; R4-D8 PolarHBondContact O-N 3.18Å; R4-D8 VanDerWaalsContact O-N 3.07Å; S6-D8 PolarHBondContact O-N 3.42Å; D8-K12 WeakPolarHBondContact O-CB 3.49Å; D8-K12 WeakPolarHBondContact O-CD 3.23Å; D8-K12 VanDerWaalsContact O-CG 3.31Å; D8-K12 WeakPolarHBondContact O-CG 3.39Å; D8-K12 PolarHBondContact O-N 2.87Å
9L67.3Low61.4Low19 Ų1984.1 Ų84.110%0.09944%0.442CS..Hα-helixtrans-71.2-39.8177.6-78.7168.7000111.2R5 S6 D7 K12 A13 D169R5-L9 WeakPolarHBondContact O-CB 3.45Å; R5-L9 WeakPolarHBondContact O-CD1 3.38Å; R5-L9 VanDerWaalsContact O-CG 3.23Å; R5-L9 WeakPolarHBondContact O-CG 3.46Å; R5-L9 PolarHBondContact O-N 2.89Å; R5-L9 VanDerWaalsContact O-N 3.1Å; S6-L9 PolarHBondContact O-N 3.31Å; S6-L9 VanDerWaalsContact O-N 3.13Å; D7-L9 VanDerWaalsContact C-N 3.32Å; D7-L9 PolarHBondContact O-N 2.86Å; L9-K12 PolarHBondContact O-N 2.77Å; L9-A13 VanDerWaalsContact O-CB 3.25Å; L9-A13 WeakPolarHBondContact O-CB 3.37Å; L9-A13 PolarHBondContact O-N 3.1Å; L9-D169 VanDerWaalsContact CD2-OD1 3.25Å; L9-D169 WeakPolarHBondContact CD2-OD1 3.06Å
10I70.3Confident61.8Low8 Ų882.6 Ų82.64%0.04143%0.434CS..Hα-helixtrans-68.6-44.3178.6-66.5157.3000110.8S6 D7 K12 A13 K14 L27 Y30 Y31S6-I10 WeakPolarHBondContact O-CB 3.46Å; S6-I10 VanDerWaalsContact O-CD1 3.25Å; S6-I10 WeakPolarHBondContact O-CD1 3.34Å; S6-I10 WeakPolarHBondContact O-CG1 3.39Å; S6-I10 PolarHBondContact O-N 2.83Å; D7-I10 PolarHBondContact O-N 3.11Å; I10-K12 VanDerWaalsContact C-N 3.32Å; I10-K12 PolarHBondContact O-N 3.29Å; I10-A13 PolarHBondContact O-N 2.66Å; I10-K14 VanDerWaalsContact O-CG 3.31Å; I10-K14 WeakPolarHBondContact O-CG 3.32Å; I10-K14 PolarHBondContact O-N 3.29Å; I10-L27 HydrophobicContact CG2-CD2 4.17Å; I10-Y30 HydrophobicContact CD1-CD1 4.02Å; I10-Y30 HydrophobicContact CD1-CE1 3.32Å; I10-Y30 HydrophobicContact CD1-CE2 4.3Å; I10-Y30 HydrophobicContact CG1-CD1 4.34Å; I10-Y30 HydrophobicContact CG1-CE1 4.1Å; I10-Y31 HydrophobicContact CG2-CE2 4.48Å; I10-Y31 WeakPolarHBondContact CG2-OH 3.44Å
11E72.9Confident62.2Low116 Ų11684.9 Ų84.954%0.54244%0.443SS..Hα-helixtrans-56.5-44.4173.2-78.8-71.310700111.8D7 K14 S15D7-E11 WeakPolarHBondContact O-CB 3.24Å; D7-E11 WeakPolarHBondContact O-CG 3.35Å; D7-E11 PolarHBondContact O-N 3.47Å; E11-K14 WeakPolarHBondContact O-CB 3.43Å; E11-K14 PolarHBondContact O-N 3.01Å; E11-K14 IonicContact OE1-NZ 2.67Å; E11-K14 PolarHBondContact OE1-NZ 3.35Å; E11-S15 PolarHBondContact O-N 3.48Å
12K67.6Low63.4Low94 Ų9480.6 Ų80.641%0.40942%0.424SS..Hα-helixtrans-74.9-30.6178-70.2164.9-171.1150.40113D8 L9 I10 S15 I16D8-K12 WeakPolarHBondContact O-CB 3.49Å; D8-K12 WeakPolarHBondContact O-CD 3.23Å; D8-K12 VanDerWaalsContact O-CG 3.31Å; D8-K12 WeakPolarHBondContact O-CG 3.39Å; D8-K12 PolarHBondContact O-N 2.87Å; L9-K12 PolarHBondContact O-N 2.77Å; I10-K12 VanDerWaalsContact C-N 3.32Å; I10-K12 PolarHBondContact O-N 3.29Å; K12-S15 PolarHBondContact O-N 3.23Å; K12-S15 PolarHBondContact O-OG 2.98Å; K12-I16 WeakPolarHBondContact O-CG1 3.33Å; K12-I16 PolarHBondContact O-N 3.06Å
13A63.1Low64.6Low9 Ų977.3 Ų77.37%0.07440%0.401CS..Hα-helixtrans-67.8-37171.200000111.1L9 I10 S15 I16 A17 V23 L27 L168L9-A13 VanDerWaalsContact O-CB 3.25Å; L9-A13 WeakPolarHBondContact O-CB 3.37Å; L9-A13 PolarHBondContact O-N 3.1Å; I10-A13 PolarHBondContact O-N 2.66Å; A13-S15 VanDerWaalsContact C-N 3.35Å; A13-S15 PolarHBondContact O-N 3.46Å; A13-I16 PolarHBondContact O-N 3.22Å; A13-A17 VanDerWaalsContact O-CB 3.22Å; A13-A17 WeakPolarHBondContact O-CB 3.26Å; A13-A17 PolarHBondContact O-N 3.48Å; A13-V23 HydrophobicContact CB-CG1 4.23Å; A13-V23 WeakPolarHBondContact O-CG1 3.33Å; A13-L27 HydrophobicContact CB-CD1 4.2Å; A13-L27 HydrophobicContact CB-CD2 3.89Å; A13-L27 HydrophobicContact CB-CG 4.22Å; A13-L168 HydrophobicContact CB-CD2 4.28Å
14K66.8Low65.4Low94 Ų9478.9 Ų78.941%0.40940%0.396SS..Hα-helixtrans-61.6-37.9174.3-72.3169.5-168.5163.70112.8I10 E11 I16 A17 L27 Y31I10-K14 VanDerWaalsContact O-CG 3.31Å; I10-K14 WeakPolarHBondContact O-CG 3.32Å; I10-K14 PolarHBondContact O-N 3.29Å; E11-K14 WeakPolarHBondContact O-CB 3.43Å; E11-K14 PolarHBondContact O-N 3.01Å; E11-K14 IonicContact OE1-NZ 2.67Å; E11-K14 PolarHBondContact OE1-NZ 3.35Å; K14-I16 VanDerWaalsContact C-N 3.33Å; K14-A17 PolarHBondContact O-N 3.49Å; K14-L27 HydrophobicContact CG-CD1 4.32Å; K14-Y31 WeakPolarHBondContact CE-OH 3.42Å
15S68.5Low66.3Low97 Ų9771.7 Ų71.768%0.67837%0.373SS*.Hα-helixtrans-69.1-31.1178.563.90000112.9E11 K12 A13E11-S15 PolarHBondContact O-N 3.48Å; K12-S15 PolarHBondContact O-N 3.23Å; K12-S15 PolarHBondContact O-OG 2.98Å; A13-S15 VanDerWaalsContact C-N 3.35Å; A13-S15 PolarHBondContact O-N 3.46Å
16I62.7Low66.8Low77 Ų7765 Ų6540%0.39535%0.349SS..Hα-helixtrans-80.8-29173.7-58.1167.9000111.5K12 A13 K14 G18 E19 V23K12-I16 WeakPolarHBondContact O-CG1 3.33Å; K12-I16 PolarHBondContact O-N 3.06Å; A13-I16 PolarHBondContact O-N 3.22Å; K14-I16 VanDerWaalsContact C-N 3.33Å; I16-G18 PolarHBondContact O-N 2.88Å; I16-G18 VanDerWaalsContact O-N 3.08Å; I16-E19 PolarHBondContact O-N 3.48Å; I16-V23 HydrophobicContact CG2-CG2 4.34Å
17A60.5Low67.4Low10 Ų1065 Ų658%0.08335%0.348CS..THydrogen-bonded Turntrans-65-12.1-175.900000114.8A13 K14 E19 V23 Q24 L27A13-A17 VanDerWaalsContact O-CB 3.22Å; A13-A17 WeakPolarHBondContact O-CB 3.26Å; A13-A17 PolarHBondContact O-N 3.48Å; K14-A17 PolarHBondContact O-N 3.49Å; A17-E19 PolarHBondContact O-N 2.81Å; A17-V23 HydrophobicContact CB-CB 4.43Å; A17-V23 HydrophobicContact CB-CG1 3.96Å; A17-Q24 HydrophobicContact CB-CG 4.03Å; A17-Q24 WeakPolarHBondContact O-CG 3.46Å; A17-Q24 PolarHBondContact O-NE2 3.33Å; A17-L27 HydrophobicContact CB-CD1 3.69Å
18G55.6Low67.8Low64 Ų6468 Ų6866%0.6635%0.352SS*.THydrogen-bonded Turntrans-57.9-33.3174.200000113.3I16I16-G18 PolarHBondContact O-N 2.88Å; I16-G18 VanDerWaalsContact O-N 3.08Å
19E60.3Low67.8Low196 Ų19667.7 Ų67.792%0.91634%0.344SS*.THydrogen-bonded Turntrans-116.5-11.9-170.6-62-179.317000113.9I16 A17I16-E19 PolarHBondContact O-N 3.48Å; A17-E19 PolarHBondContact O-N 2.81Å
20N68.5Low68.1Low53 Ų5367.2 Ų67.228%0.28334%0.341SS..  trans-122.2108.1-172.2-167.7-33.8000113.4V22 V23 Q24N20-V22 VanDerWaalsContact C-N 3.26Å; N20-V22 PolarHBondContact O-N 3.24Å; N20-V22 VanDerWaalsContact OD1-CB 3.26Å; N20-V22 WeakPolarHBondContact OD1-CB 3.49Å; N20-V22 PolarHBondContact OD1-N 3.12Å; N20-V23 HydrophobicContact CB-CB 4.27Å; N20-V23 HydrophobicContact CB-CG2 3.93Å; N20-V23 PolarHBondContact O-N 3.42Å; N20-V23 VanDerWaalsContact O-N 3.16Å; N20-V23 PolarHBondContact OD1-N 2.84Å; N20-Q24 PolarHBondContact O-N 3.29Å; N20-Q24 VanDerWaalsContact O-N 3.12Å
21E71.1Confident68.3Low131 Ų13171.4 Ų71.461%0.61236%0.357SS*.Hα-helixtrans-60.3-31.5179.2-169.7-178.6-177.500113Q24 N25E21-Q24 PolarHBondContact O-N 3.4Å; E21-N25 WeakPolarHBondContact O-CB 3.44Å; E21-N25 VanDerWaalsContact O-CG 3.3Å; E21-N25 PolarHBondContact O-N 3.22Å; E21-N25 PolarHBondContact O-ND2 3.26Å
22V68Low68.4Low48 Ų4868.7 Ų68.729%0.29135%0.351SS..Hα-helixtrans-64.3-44.7177.1-173.60000110.1N20 N25 L26 I184N20-V22 VanDerWaalsContact C-N 3.26Å; N20-V22 PolarHBondContact O-N 3.24Å; N20-V22 VanDerWaalsContact OD1-CB 3.26Å; N20-V22 WeakPolarHBondContact OD1-CB 3.49Å; N20-V22 PolarHBondContact OD1-N 3.12Å; V22-N25 PolarHBondContact O-N 3.33Å; V22-L26 HydrophobicContact CG1-CD1 4.14Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.91Å; V22-I184 HydrophobicContact CG1-CD1 4.2Å
23V68.4Low68.5Low4 Ų465.5 Ų65.52%0.02434%0.338CS..Hα-helixtrans-66.2-40.4177.4-176.40000111A13 I16 A17 N20 N25 L26 L27 I171A13-V23 HydrophobicContact CB-CG1 4.23Å; A13-V23 WeakPolarHBondContact O-CG1 3.33Å; I16-V23 HydrophobicContact CG2-CG2 4.34Å; A17-V23 HydrophobicContact CB-CB 4.43Å; A17-V23 HydrophobicContact CB-CG1 3.96Å; N20-V23 HydrophobicContact CB-CB 4.27Å; N20-V23 HydrophobicContact CB-CG2 3.93Å; N20-V23 PolarHBondContact O-N 3.42Å; N20-V23 VanDerWaalsContact O-N 3.16Å; N20-V23 PolarHBondContact OD1-N 2.84Å; V23-N25 VanDerWaalsContact C-N 3.31Å; V23-N25 PolarHBondContact O-N 2.93Å; V23-L26 PolarHBondContact O-N 3.22Å; V23-L27 HydrophobicContact CG1-CD1 4.22Å; V23-L27 WeakPolarHBondContact O-CB 3.4Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.84Å; V23-I171 HydrophobicContact CG2-CG2 4.14Å
24Q70Confident68.9Low79 Ų7968 Ų6837%0.36935%0.348SS..Hα-helixtrans-61.1-37.9173.3-67.7-174.110.900112.9A17 N20 E21 R28A17-Q24 HydrophobicContact CB-CG 4.03Å; A17-Q24 WeakPolarHBondContact O-CG 3.46Å; A17-Q24 PolarHBondContact O-NE2 3.33Å; N20-Q24 PolarHBondContact O-N 3.29Å; N20-Q24 VanDerWaalsContact O-N 3.12Å; E21-Q24 PolarHBondContact O-N 3.4Å; Q24-R28 WeakPolarHBondContact O-CB 3.47Å; Q24-R28 WeakPolarHBondContact O-CG 3.37Å; Q24-R28 PolarHBondContact O-N 3.35Å
25N72.1Confident69.1Low56 Ų5667.2 Ų67.230%0.29936%0.355SS..Hα-helixtrans-72.7-38.3178.1-73.8-27.3000112.1E21 V22 V23 R28 R29E21-N25 WeakPolarHBondContact O-CB 3.44Å; E21-N25 VanDerWaalsContact O-CG 3.3Å; E21-N25 PolarHBondContact O-N 3.22Å; E21-N25 PolarHBondContact O-ND2 3.26Å; V22-N25 PolarHBondContact O-N 3.33Å; V23-N25 VanDerWaalsContact C-N 3.31Å; V23-N25 PolarHBondContact O-N 2.93Å; N25-R28 PolarHBondContact OD1-NH2 2.92Å; N25-R29 WeakPolarHBondContact O-CG 3.37Å; N25-R29 PolarHBondContact O-N 2.85Å
26L71Confident69.4Low15 Ų1568.2 Ų68.28%0.07935%0.347CS..Hα-helixtrans-63.3-47172.1-75.6163.6000111.8V22 V23 R28 R29 Y30 L164 L168 I171V22-L26 HydrophobicContact CG1-CD1 4.14Å; V22-L26 WeakPolarHBondContact O-CG 3.42Å; V22-L26 PolarHBondContact O-N 2.91Å; V23-L26 PolarHBondContact O-N 3.22Å; L26-R28 PolarHBondContact O-N 3.36Å; L26-R29 PolarHBondContact O-N 3.36Å; L26-R29 VanDerWaalsContact O-N 3.14Å; L26-Y30 PolarHBondContact O-N 2.84Å; L26-L164 HydrophobicContact CD2-CD2 3.94Å; L26-L168 HydrophobicContact CB-CD2 3.95Å; L26-L168 HydrophobicContact CD1-CD2 4.19Å; L26-I171 HydrophobicContact CD1-CD1 3.34Å
27L73.5Confident69.8Low14 Ų1465.8 Ų65.87%0.07334%0.335CS..Hα-helixtrans-59.6-43.7175.9-79.1171.5000112.6I10 A13 K14 A17 V23 R29 Y30 Y31I10-L27 HydrophobicContact CG2-CD2 4.17Å; A13-L27 HydrophobicContact CB-CD1 4.2Å; A13-L27 HydrophobicContact CB-CD2 3.89Å; A13-L27 HydrophobicContact CB-CG 4.22Å; K14-L27 HydrophobicContact CG-CD1 4.32Å; A17-L27 HydrophobicContact CB-CD1 3.69Å; V23-L27 HydrophobicContact CG1-CD1 4.22Å; V23-L27 WeakPolarHBondContact O-CB 3.4Å; V23-L27 WeakPolarHBondContact O-CG 3.35Å; V23-L27 PolarHBondContact O-N 2.84Å; L27-R29 VanDerWaalsContact C-N 3.32Å; L27-R29 PolarHBondContact O-N 3.22Å; L27-Y30 PolarHBondContact O-N 2.96Å; L27-Y31 VanDerWaalsContact O-CD2 3.3Å; L27-Y31 WeakPolarHBondContact O-CD2 3.27Å; L27-Y31 PolarHBondContact O-N 2.9Å
28R74.4Confident70.4Confident153 Ų15368.9 Ų68.958%0.57736%0.356SS*.Hα-helixtrans-62.3-37.6174.7-79.7-172.9-74.1-157.8-2.9112.5Q24 N25 L26 S32Q24-R28 WeakPolarHBondContact O-CB 3.47Å; Q24-R28 WeakPolarHBondContact O-CG 3.37Å; Q24-R28 PolarHBondContact O-N 3.35Å; N25-R28 PolarHBondContact OD1-NH2 2.92Å; L26-R28 PolarHBondContact O-N 3.36Å; R28-S32 WeakPolarHBondContact O-CB 3.48Å; R28-S32 PolarHBondContact O-N 3.46Å; R28-S32 VanDerWaalsContact O-N 3.12Å
29R70.9Confident71.2Confident84 Ų8472.4 Ų72.432%0.31735%0.349SS..Hα-helixtrans-68-44.9174.8-73.2175.4-175.4-173.93.1111.6N25 L26 L27 S32 M33 L164 V188N25-R29 WeakPolarHBondContact O-CG 3.37Å; N25-R29 PolarHBondContact O-N 2.85Å; L26-R29 PolarHBondContact O-N 3.36Å; L26-R29 VanDerWaalsContact O-N 3.14Å; L27-R29 VanDerWaalsContact C-N 3.32Å; L27-R29 PolarHBondContact O-N 3.22Å; R29-S32 PolarHBondContact O-N 3.38Å; R29-M33 WeakPolarHBondContact O-CG 3.49Å; R29-M33 PolarHBondContact O-N 3.11Å; R29-L164 HydrophobicContact CB-CD1 4.05Å; R29-V188 VanDerWaalsContact CZ-CG2 3.46Å
30Y73.8Confident71.8Confident9 Ų964.7 Ų64.74%0.03531%0.314CS..Hα-helixtrans-53.6-57.5175.8177.4-83.6000110.8I10 L26 L27 S32 M33 E34 I161 E165I10-Y30 HydrophobicContact CD1-CD1 4.02Å; I10-Y30 HydrophobicContact CD1-CE1 3.32Å; I10-Y30 HydrophobicContact CD1-CE2 4.3Å; I10-Y30 HydrophobicContact CG1-CD1 4.34Å; I10-Y30 HydrophobicContact CG1-CE1 4.1Å; L26-Y30 PolarHBondContact O-N 2.84Å; L27-Y30 PolarHBondContact O-N 2.96Å; Y30-S32 VanDerWaalsContact C-N 3.29Å; Y30-S32 PolarHBondContact O-N 2.93Å; Y30-M33 PolarHBondContact O-N 2.95Å; Y30-M33 VanDerWaalsContact O-N 3.07Å; Y30-E34 HydrophobicContact CE1-CB 4.22Å; Y30-E34 VanDerWaalsContact CE1-CD 3.45Å; Y30-E34 HydrophobicContact CE1-CG 4.42Å; Y30-E34 WeakPolarHBondContact CE1-OE1 3.36Å; Y30-E34 WeakPolarHBondContact CE1-OE2 3.39Å; Y30-E34 WeakPolarHBondContact O-CB 3.31Å; Y30-E34 PolarHBondContact O-N 2.72Å; Y30-E34 PolarHBondContact OH-OE1 3.34Å; Y30-I161 HydrophobicContact CD2-CG2 4.46Å; Y30-I161 HydrophobicContact CE2-CG2 3.94Å; Y30-E165 HydrophobicContact CE2-CG 4.41Å
31Y75.4Confident72Confident96 Ų9666.4 Ų66.438%0.37632%0.32SS..Hα-helixtrans-61.4-34.6-180-75.2-54.3000113.3I10 K14 L27 E34 S35I10-Y31 HydrophobicContact CG2-CE2 4.48Å; I10-Y31 WeakPolarHBondContact CG2-OH 3.44Å; K14-Y31 WeakPolarHBondContact CE-OH 3.42Å; L27-Y31 VanDerWaalsContact O-CD2 3.3Å; L27-Y31 WeakPolarHBondContact O-CD2 3.27Å; L27-Y31 PolarHBondContact O-N 2.9Å; Y31-E34 WeakPolarHBondContact CD1-OE2 3.2Å; Y31-S35 VanDerWaalsContact O-CB 3.27Å; Y31-S35 WeakPolarHBondContact O-CB 3.43Å; Y31-S35 PolarHBondContact O-N 3.49Å
32S73.9Confident72.1Confident59 Ų5966.2 Ų66.241%0.41332%0.318SS..Hα-helixtrans-65.7-40.4174.7-172.20000112.5R28 R29 Y30 K36R28-S32 WeakPolarHBondContact O-CB 3.48Å; R28-S32 PolarHBondContact O-N 3.46Å; R28-S32 VanDerWaalsContact O-N 3.12Å; R29-S32 PolarHBondContact O-N 3.38Å; Y30-S32 VanDerWaalsContact C-N 3.29Å; Y30-S32 PolarHBondContact O-N 2.93Å; S32-K36 VanDerWaalsContact O-CG 3.28Å; S32-K36 WeakPolarHBondContact O-CG 3.23Å; S32-K36 PolarHBondContact O-N 3.13Å; S32-K36 VanDerWaalsContact O-N 3.12Å
33M69.7Low72.4Confident27 Ų2767.4 Ų67.413%0.13332%0.322CS..Hα-helixtrans-75.4-36.7178.1-64.2-158.9-45.600112.7R29 Y30 K36 L37 L157 T160 I161 L164R29-M33 WeakPolarHBondContact O-CG 3.49Å; R29-M33 PolarHBondContact O-N 3.11Å; Y30-M33 PolarHBondContact O-N 2.95Å; Y30-M33 VanDerWaalsContact O-N 3.07Å; M33-K36 PolarHBondContact O-N 3.34Å; M33-L37 WeakPolarHBondContact O-CB 3.38Å; M33-L37 PolarHBondContact O-N 2.89Å; M33-L157 HydrophobicContact SD-CD2 4.46Å; M33-T160 HydrophobicContact CE-CG2 3.71Å; M33-T160 HydrophobicContact SD-CG2 3.73Å; M33-I161 HydrophobicContact CB-CD1 4.22Å; M33-I161 HydrophobicContact CB-CG1 4.08Å; M33-I161 HydrophobicContact CE-CB 4.47Å; M33-I161 HydrophobicContact CE-CG1 3.64Å; M33-L164 HydrophobicContact CE-CD1 3.38Å; M33-L164 HydrophobicContact CE-CG 3.94Å
34E72.3Confident72.6Confident61 Ų6169 Ų6929%0.28533%0.329SS..Hα-helixtrans-63.2-41.4174.6-174.5176.3-119.100111.6Y30 Y31 L37 S38 I161Y30-E34 HydrophobicContact CE1-CB 4.22Å; Y30-E34 VanDerWaalsContact CE1-CD 3.45Å; Y30-E34 HydrophobicContact CE1-CG 4.42Å; Y30-E34 WeakPolarHBondContact CE1-OE1 3.36Å; Y30-E34 WeakPolarHBondContact CE1-OE2 3.39Å; Y30-E34 WeakPolarHBondContact O-CB 3.31Å; Y30-E34 PolarHBondContact O-N 2.72Å; Y30-E34 PolarHBondContact OH-OE1 3.34Å; Y31-E34 WeakPolarHBondContact CD1-OE2 3.2Å; E34-L37 PolarHBondContact O-N 3.06Å; E34-S38 WeakPolarHBondContact O-CB 3.4Å; E34-S38 PolarHBondContact O-N 3.41Å; E34-S38 PolarHBondContact O-OG 2.96Å; E34-I161 HydrophobicContact CB-CD1 4.49Å
35S70.8Confident73Confident79 Ų7971.4 Ų71.455%0.55234%0.339SS*.Hα-helixtrans-62-45.5171.7179.30000112.2Y31 S38 R39Y31-S35 VanDerWaalsContact O-CB 3.27Å; Y31-S35 WeakPolarHBondContact O-CB 3.43Å; Y31-S35 PolarHBondContact O-N 3.49Å; S35-S38 PolarHBondContact O-N 3.1Å; S35-R39 PolarHBondContact O-N 3.3Å
36K73.7Confident73.2Confident117 Ų11772.8 Ų72.851%0.50934%0.343SS..Hα-helixtrans-61.3-44.8175.4-74.5171.8-176.5-178.50112.4S32 M33 S38 R39 L40S32-K36 VanDerWaalsContact O-CG 3.28Å; S32-K36 WeakPolarHBondContact O-CG 3.23Å; S32-K36 PolarHBondContact O-N 3.13Å; S32-K36 VanDerWaalsContact O-N 3.12Å; M33-K36 PolarHBondContact O-N 3.34Å; K36-S38 VanDerWaalsContact C-N 3.33Å; K36-S38 PolarHBondContact O-N 3.14Å; K36-R39 PolarHBondContact O-N 3.04Å; K36-L40 WeakPolarHBondContact O-CB 3.47Å; K36-L40 WeakPolarHBondContact O-CG 3.45Å; K36-L40 PolarHBondContact O-N 3Å
37L71.9Confident73.4Confident27 Ų2774.5 Ų74.514%0.14135%0.353CS..Hα-helixtrans-60.8-42.3175-88.2-179.8000111.9M33 E34 L40 H41 I154 L157 K158 I161M33-L37 WeakPolarHBondContact O-CB 3.38Å; M33-L37 PolarHBondContact O-N 2.89Å; E34-L37 PolarHBondContact O-N 3.06Å; L37-L40 PolarHBondContact O-N 3.45Å; L37-H41 VanDerWaalsContact O-CB 3.23Å; L37-H41 WeakPolarHBondContact O-CB 3.43Å; L37-H41 PolarHBondContact O-N 3.17Å; L37-I154 HydrophobicContact CD2-CB 4.39Å; L37-I154 HydrophobicContact CD2-CG1 4.38Å; L37-I154 HydrophobicContact CD2-CG2 4.06Å; L37-L157 HydrophobicContact CD1-CB 4.32Å; L37-L157 HydrophobicContact CD2-CB 3.53Å; L37-L157 HydrophobicContact CD2-CD1 3.96Å; L37-L157 HydrophobicContact CD2-CG 4.42Å; L37-L157 HydrophobicContact CG-CB 3.81Å; L37-L157 HydrophobicContact CG-CD1 4.24Å; L37-K158 HydrophobicContact CD1-CG 4.31Å; L37-K158 HydrophobicContact CD2-CG 4.49Å; L37-I161 HydrophobicContact CD1-CD1 3.44Å; L37-I161 VanDerWaalsContact CD1-CD1 3.44Å; L37-I161 HydrophobicContact CD1-CG1 4.29Å
38S73.8Confident73.5Confident75 Ų7579.5 Ų79.552%0.52437%0.374SS..Hα-helixtrans-61.9-45.1177.8-60.80000111.5E34 S35 K36 H41 F42E34-S38 WeakPolarHBondContact O-CB 3.4Å; E34-S38 PolarHBondContact O-N 3.41Å; E34-S38 PolarHBondContact O-OG 2.96Å; S35-S38 PolarHBondContact O-N 3.1Å; K36-S38 VanDerWaalsContact C-N 3.33Å; K36-S38 PolarHBondContact O-N 3.14Å; S38-H41 PolarHBondContact O-N 2.86Å; S38-F42 WeakPolarHBondContact O-CB 3.36Å; S38-F42 PolarHBondContact O-N 2.96Å
39R72.8Confident73.6Confident137 Ų13774.8 Ų74.852%0.51737%0.368SS..Hα-helixtrans-64.1-42.8175.4-167.7174.2-178.7-170.4-2.1112.1S35 K36 F42 L43S35-R39 PolarHBondContact O-N 3.3Å; K36-R39 PolarHBondContact O-N 3.04Å; R39-F42 PolarHBondContact O-N 2.98Å; R39-L43 HydrophobicContact CG-CD1 4.42Å; R39-L43 WeakPolarHBondContact O-CG 3.26Å; R39-L43 PolarHBondContact O-N 2.96Å
40L71.3Confident73.7Confident35 Ų3574 Ų7418%0.18337%0.368CS..Hα-helixtrans-66-41.3176.7-75.9166.7000112.7K36 L37 F42 L43 M44 I154 L157K36-L40 WeakPolarHBondContact O-CB 3.47Å; K36-L40 WeakPolarHBondContact O-CG 3.45Å; K36-L40 PolarHBondContact O-N 3Å; L37-L40 PolarHBondContact O-N 3.45Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3.15Å; L40-L43 PolarHBondContact O-N 3.39Å; L40-M44 WeakPolarHBondContact O-CB 3.38Å; L40-M44 PolarHBondContact O-N 3.09Å; L40-I154 HydrophobicContact CB-CD1 4.16Å; L40-I154 HydrophobicContact CB-CG1 3.92Å; L40-I154 HydrophobicContact CD1-CG1 4.46Å; L40-L157 HydrophobicContact CD1-CD1 3.32Å
41H72.9Confident73.7Confident89 Ų8974.6 Ų74.641%0.41237%0.371SS..Hα-helixtrans-67.9-33.2178.5-171.4-118.8000112.1L37 S38 K45L37-H41 VanDerWaalsContact O-CB 3.23Å; L37-H41 WeakPolarHBondContact O-CB 3.43Å; L37-H41 PolarHBondContact O-N 3.17Å; S38-H41 PolarHBondContact O-N 2.86Å; H41-K45 WeakPolarHBondContact O-CG 3.5Å; H41-K45 PolarHBondContact O-N 3.21Å; H41-K45 VanDerWaalsContact O-N 3.13Å
42F74.4Confident73.8Confident127 Ų12774.8 Ų74.856%0.55738%0.375SS*.Hα-helixtrans-63.3-52.1169.4178.3-91.5000111.7S38 R39 L40 M44 K45 Q46S38-F42 WeakPolarHBondContact O-CB 3.36Å; S38-F42 PolarHBondContact O-N 2.96Å; R39-F42 PolarHBondContact O-N 2.98Å; L40-F42 VanDerWaalsContact C-N 3.32Å; L40-F42 PolarHBondContact O-N 3.15Å; F42-M44 VanDerWaalsContact C-N 3.33Å; F42-M44 PolarHBondContact O-N 3.49Å; F42-K45 WeakPolarHBondContact O-CB 3.47Å; F42-K45 PolarHBondContact O-N 3.5Å; F42-K45 VanDerWaalsContact O-N 3.14Å; F42-Q46 PolarHBondContact O-N 3.47Å
43L72.6Confident73.9Confident73 Ų7378.7 Ų78.738%0.38239%0.385SS..Hα-helixtrans-60.1-40.2178.2-70.2168.8000112.5R39 L40 K45 Q46 N47R39-L43 HydrophobicContact CG-CD1 4.42Å; R39-L43 WeakPolarHBondContact O-CG 3.26Å; R39-L43 PolarHBondContact O-N 2.96Å; L40-L43 PolarHBondContact O-N 3.39Å; L43-K45 PolarHBondContact O-N 2.85Å; L43-Q46 PolarHBondContact O-N 2.99Å; L43-N47 WeakPolarHBondContact O-CB 3.32Å; L43-N47 VanDerWaalsContact O-CG 3.29Å; L43-N47 PolarHBondContact O-N 3.29Å
44M73.3Confident74Confident36 Ų3679 Ų7918%0.17739%0.387CS..Hα-helixtrans-62.4-41175.7-171.3-16877.300111.9L40 F42 K48 L147 E151 I154L40-M44 WeakPolarHBondContact O-CB 3.38Å; L40-M44 PolarHBondContact O-N 3.09Å; F42-M44 VanDerWaalsContact C-N 3.33Å; F42-M44 PolarHBondContact O-N 3.49Å; M44-K48 VanDerWaalsContact O-CB 3.29Å; M44-K48 WeakPolarHBondContact O-CB 3.46Å; M44-K48 PolarHBondContact O-N 2.89Å; M44-L147 HydrophobicContact CG-CD2 4.12Å; M44-E151 HydrophobicContact SD-CG 3.93Å; M44-I154 HydrophobicContact CB-CD1 4.27Å; M44-I154 HydrophobicContact CG-CD1 4.49Å; M44-I154 HydrophobicContact SD-CD1 3.66Å
45K79.1Confident73.9Confident131 Ų13179.5 Ų79.557%0.5739%0.391SS*.Hα-helixtrans-63.7-42.8173.7-79.3-177.9174.5-173.90112.1H41 F42 L43 K48 A49H41-K45 WeakPolarHBondContact O-CG 3.5Å; H41-K45 PolarHBondContact O-N 3.21Å; H41-K45 VanDerWaalsContact O-N 3.13Å; F42-K45 WeakPolarHBondContact O-CB 3.47Å; F42-K45 PolarHBondContact O-N 3.5Å; F42-K45 VanDerWaalsContact O-N 3.14Å; L43-K45 PolarHBondContact O-N 2.85Å; K45-K48 PolarHBondContact O-N 3.23Å; K45-A49 WeakPolarHBondContact O-CB 3.4Å; K45-A49 PolarHBondContact O-N 3.47Å
46Q76.5Confident74Confident84 Ų8483.2 Ų83.239%0.39339%0.393SS..Hα-helixtrans-62.8-51.7177-177.9178-12.700111.4F42 L43 K48 A49 E50F42-Q46 PolarHBondContact O-N 3.47Å; L43-Q46 PolarHBondContact O-N 2.99Å; Q46-K48 VanDerWaalsContact C-N 3.28Å; Q46-K48 PolarHBondContact O-N 3.2Å; Q46-A49 WeakPolarHBondContact O-CB 3.42Å; Q46-A49 PolarHBondContact O-N 3.35Å; Q46-A49 VanDerWaalsContact O-N 3.07Å; Q46-E50 PolarHBondContact O-N 2.88Å
47N74.1Confident73.9Confident52 Ų5281.8 Ų81.828%0.27839%0.391SS..Hα-helixtrans-57.7-40.3177.9-71.9-9000112L43 E50 L51 L147L43-N47 WeakPolarHBondContact O-CB 3.32Å; L43-N47 VanDerWaalsContact O-CG 3.29Å; L43-N47 PolarHBondContact O-N 3.29Å; N47-E50 PolarHBondContact O-N 3.39Å; N47-L51 WeakPolarHBondContact O-CB 3.33Å; N47-L51 PolarHBondContact O-N 3.37Å; N47-L147 HydrophobicContact CB-CD2 3.81Å; N47-L147 HydrophobicContact CB-CG 4.22Å
48K75.8Confident73.5Confident118 Ų11883.2 Ų83.251%0.51340%0.4SS..Hα-helixtrans-66.4-39.2175.9-172.3168.2-174.2164.90112.6M44 K45 Q46 L51 Q52M44-K48 VanDerWaalsContact O-CB 3.29Å; M44-K48 WeakPolarHBondContact O-CB 3.46Å; M44-K48 PolarHBondContact O-N 2.89Å; K45-K48 PolarHBondContact O-N 3.23Å; Q46-K48 VanDerWaalsContact C-N 3.28Å; Q46-K48 PolarHBondContact O-N 3.2Å; K48-L51 PolarHBondContact O-N 2.88Å; K48-Q52 WeakPolarHBondContact O-CB 3.21Å; K48-Q52 WeakPolarHBondContact O-CG 3.37Å; K48-Q52 PolarHBondContact O-N 2.91Å
49A76.6Confident73.2Confident55 Ų5585.9 Ų85.946%0.45540%0.404SS..Hα-helixtrans-66.9-38.5175.200000112.1K45 Q46 K53K45-A49 WeakPolarHBondContact O-CB 3.4Å; K45-A49 PolarHBondContact O-N 3.47Å; Q46-A49 WeakPolarHBondContact O-CB 3.42Å; Q46-A49 PolarHBondContact O-N 3.35Å; Q46-A49 VanDerWaalsContact O-N 3.07Å; A49-K53 PolarHBondContact O-N 3.26Å
50E74Confident72.7Confident68 Ų6881.9 Ų81.932%0.31840%0.401SS..Hα-helixtrans-64.3-45.7172.4-73.7-177-158.200112.1Q46 N47 Q52 K53 M54 K143Q46-E50 PolarHBondContact O-N 2.88Å; N47-E50 PolarHBondContact O-N 3.39Å; E50-Q52 VanDerWaalsContact C-N 3.32Å; E50-Q52 PolarHBondContact O-N 3.26Å; E50-K53 WeakPolarHBondContact O-CA 3.48Å; E50-K53 WeakPolarHBondContact O-CB 3.38Å; E50-K53 PolarHBondContact O-N 3.48Å; E50-M54 WeakPolarHBondContact O-CG 3.36Å; E50-M54 PolarHBondContact O-N 2.99Å; E50-K143 IonicContact OE2-NZ 2.85Å; E50-K143 PolarHBondContact OE2-NZ 3.13Å
51L73.3Confident72Confident20 Ų2086 Ų8611%0.10542%0.419CS..Hα-helixtrans-58.9-44.6177.2-155.398.3000111.1N47 K48 K53 M54 L55 L140 K143 E144 L147N47-L51 WeakPolarHBondContact O-CB 3.33Å; N47-L51 PolarHBondContact O-N 3.37Å; K48-L51 PolarHBondContact O-N 2.88Å; L51-K53 PolarHBondContact O-N 3.11Å; L51-M54 HydrophobicContact CD1-CE 4Å; L51-M54 HydrophobicContact CG-CE 4.48Å; L51-M54 PolarHBondContact O-N 3.26Å; L51-L55 HydrophobicContact CD2-CD1 4.27Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 2.77Å; L51-L140 HydrophobicContact CD1-CD2 4.13Å; L51-L140 HydrophobicContact CG-CD2 4.27Å; L51-K143 HydrophobicContact CD1-CB 3.7Å; L51-E144 HydrophobicContact CD1-CG 4.19Å; L51-E144 HydrophobicContact CD2-CG 4.29Å; L51-L147 HydrophobicContact CD1-CD1 4.37Å; L51-L147 HydrophobicContact CD2-CD1 4.44Å
52Q76.4Confident70.9Confident100 Ų10084 Ų8447%0.46742%0.419SS..Hα-helixtrans-65.1-21.4173.4-74.6-177.1-18.100114.4K48 E50 R56K48-Q52 WeakPolarHBondContact O-CB 3.21Å; K48-Q52 WeakPolarHBondContact O-CG 3.37Å; K48-Q52 PolarHBondContact O-N 2.91Å; E50-Q52 VanDerWaalsContact C-N 3.32Å; E50-Q52 PolarHBondContact O-N 3.26Å; Q52-R56 WeakPolarHBondContact O-CG 3.44Å; Q52-R56 PolarHBondContact O-NE 3.16Å
53K77.6Confident69.9Low141 Ų14180.4 Ų80.461%0.61341%0.412SS*.Hα-helixtrans-79.9-43.9173.2-171.3-177.9179.1-174.90110.5A49 E50 L51 R56 N57A49-K53 PolarHBondContact O-N 3.26Å; E50-K53 WeakPolarHBondContact O-CA 3.48Å; E50-K53 WeakPolarHBondContact O-CB 3.38Å; E50-K53 PolarHBondContact O-N 3.48Å; L51-K53 PolarHBondContact O-N 3.11Å; K53-R56 PolarHBondContact O-N 3.11Å; K53-N57 VanDerWaalsContact O-CG 3.3Å; K53-N57 PolarHBondContact O-N 3Å; K53-N57 PolarHBondContact O-OD1 2.91Å
54M70.5Confident68.7Low35 Ų3581.4 Ų81.417%0.17242%0.421CS..Hα-helixtrans-62.6-46176.3-62.5-171.9-4600111.7E50 L51 R56 N57 V58 L140 K143E50-M54 WeakPolarHBondContact O-CG 3.36Å; E50-M54 PolarHBondContact O-N 2.99Å; L51-M54 HydrophobicContact CD1-CE 4Å; L51-M54 HydrophobicContact CG-CE 4.48Å; L51-M54 PolarHBondContact O-N 3.26Å; M54-R56 PolarHBondContact O-N 3.41Å; M54-N57 WeakPolarHBondContact O-CB 3.35Å; M54-N57 PolarHBondContact O-N 2.78Å; M54-N57 VanDerWaalsContact O-N 3.14Å; M54-V58 WeakPolarHBondContact O-CG2 3.49Å; M54-V58 PolarHBondContact O-N 3.05Å; M54-L140 HydrophobicContact CB-CD2 4.5Å; M54-L140 HydrophobicContact CE-CD2 3.74Å; M54-L140 HydrophobicContact CE-CG 4.39Å; M54-K143 HydrophobicContact CE-CD 3.51Å; M54-K143 HydrophobicContact SD-CD 4.12Å
55L71.6Confident67.4Low71 Ų7183.8 Ų83.837%0.37244%0.441SS..Hα-helixtrans-57.7-46.6176.6-72169000111.9L51 N57 V58 E59 L140L51-L55 HydrophobicContact CD2-CD1 4.27Å; L51-L55 WeakPolarHBondContact O-CG 3.45Å; L51-L55 PolarHBondContact O-N 2.77Å; L55-N57 VanDerWaalsContact C-N 3.31Å; L55-N57 PolarHBondContact O-N 3Å; L55-V58 PolarHBondContact O-N 3.41Å; L55-E59 WeakPolarHBondContact O-CG 3.34Å; L55-E59 PolarHBondContact O-N 2.9Å; L55-L140 HydrophobicContact CD2-CD2 4.17Å; L55-L140 HydrophobicContact CG-CD2 4.37Å
56R72.2Confident65.8Low156 Ų15687.9 Ų87.959%0.58945%0.453SS*.Hα-helixtrans-62.1-34.7176-81.7-176.3-80.7-176.1-8.9113.5Q52 K53 M54 A60Q52-R56 WeakPolarHBondContact O-CG 3.44Å; Q52-R56 PolarHBondContact O-NE 3.16Å; K53-R56 PolarHBondContact O-N 3.11Å; M54-R56 PolarHBondContact O-N 3.41Å; R56-A60 WeakPolarHBondContact O-CB 3.43Å; R56-A60 PolarHBondContact O-N 3.25Å
57N70.4Confident64.4Low88 Ų8892.3 Ų92.347%0.47147%0.471SS..Hα-helixtrans-67.2-45174.6-69.7-1.8000111.2K53 M54 L55 E59 A60 E61K53-N57 VanDerWaalsContact O-CG 3.3Å; K53-N57 PolarHBondContact O-N 3Å; K53-N57 PolarHBondContact O-OD1 2.91Å; M54-N57 WeakPolarHBondContact O-CB 3.35Å; M54-N57 PolarHBondContact O-N 2.78Å; M54-N57 VanDerWaalsContact O-N 3.14Å; L55-N57 VanDerWaalsContact C-N 3.31Å; L55-N57 PolarHBondContact O-N 3Å; N57-E59 PolarHBondContact O-N 2.9Å; N57-A60 PolarHBondContact O-N 3.5Å; N57-E61 WeakPolarHBondContact O-CG 3.47Å; N57-E61 PolarHBondContact O-N 2.88Å
58V64.1Low62.9Low56 Ų5698.6 Ų98.634%0.33950%0.496SS..Hα-helixtrans-62.3-42.6177.3173.70000111.4M54 L55 A60 E61 A62 L136M54-V58 WeakPolarHBondContact O-CG2 3.49Å; M54-V58 PolarHBondContact O-N 3.05Å; L55-V58 PolarHBondContact O-N 3.41Å; V58-A60 PolarHBondContact O-N 3.04Å; V58-E61 PolarHBondContact O-N 3.44Å; V58-A62 WeakPolarHBondContact O-CB 3.23Å; V58-A62 PolarHBondContact O-N 2.7Å; V58-L136 HydrophobicContact CG2-CD1 4.35Å
59E67.7Low61.2Low131 Ų131102.6 Ų102.661%0.61251%0.513SS*.Hα-helixtrans-61.4-41.6174.1-72173.1163.300112.1L55 N57 A63L55-E59 WeakPolarHBondContact O-CG 3.34Å; L55-E59 PolarHBondContact O-N 2.9Å; N57-E59 PolarHBondContact O-N 2.9Å; E59-A63 WeakPolarHBondContact O-CB 3.42Å; E59-A63 PolarHBondContact O-N 2.83Å
60A62.8Low59.6Low53 Ų53109.8 Ų109.844%0.43853%0.534SS..Hα-helixtrans-66-44177.100000112.5R56 N57 V58 A63 V64R56-A60 WeakPolarHBondContact O-CB 3.43Å; R56-A60 PolarHBondContact O-N 3.25Å; N57-A60 PolarHBondContact O-N 3.5Å; V58-A60 PolarHBondContact O-N 3.04Å; A60-A63 PolarHBondContact O-N 2.88Å; A60-V64 WeakPolarHBondContact O-CG2 3.37Å; A60-V64 PolarHBondContact O-N 3.16Å
61E55.9Low57.7Low121 Ų121109.7 Ų109.757%0.56555%0.551SS**Hα-helixtrans-64.4-39.4176.8-73.6-179.1-179.600112.1N57 V58 V64 S65N57-E61 WeakPolarHBondContact O-CG 3.47Å; N57-E61 PolarHBondContact O-N 2.88Å; V58-E61 PolarHBondContact O-N 3.44Å; E61-V64 PolarHBondContact O-N 2.75Å; E61-S65 WeakPolarHBondContact O-CB 3.49Å; E61-S65 PolarHBondContact O-N 2.96Å; E61-S65 PolarHBondContact O-OG 3.08Å
62A50.5Low56Low49 Ų49116.3 Ų116.341%0.40559%0.587SS.*Hα-helixtrans-63.9-39.5173.200000112.2V58 R66V58-A62 WeakPolarHBondContact O-CB 3.23Å; V58-A62 PolarHBondContact O-N 2.7Å; A62-R66 WeakPolarHBondContact O-CG 3.46Å; A62-R66 PolarHBondContact O-N 3.29Å
63A52.1Low54.1Low51 Ų51121.1 Ų121.142%0.42161%0.606SS.*Hα-helixtrans-68.6-39.9176.800000112.9E59 A60 R66 K67E59-A63 WeakPolarHBondContact O-CB 3.42Å; E59-A63 PolarHBondContact O-N 2.83Å; A60-A63 PolarHBondContact O-N 2.88Å; A63-R66 PolarHBondContact O-N 3.17Å; A63-K67 PolarHBondContact O-N 3.04Å
64V49.1Very low51.9Low94 Ų94126.2 Ų126.257%0.5762%0.622SS**Hα-helixtrans-65.3-42.7175.4171.60000110.9A60 E61 R66 K67 K68A60-V64 WeakPolarHBondContact O-CG2 3.37Å; A60-V64 PolarHBondContact O-N 3.16Å; E61-V64 PolarHBondContact O-N 2.75Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 3.35Å; V64-K67 PolarHBondContact O-N 2.99Å; V64-K67 VanDerWaalsContact O-N 3.15Å; V64-K68 PolarHBondContact O-N 3.32Å; V64-K68 VanDerWaalsContact O-N 3.09Å
65S44.9Very low50.1Low86 Ų86133 Ų13360%0.60166%0.658SS**Hα-helixtrans-62.8-34.6178.7-60.80000112.9E61E61-S65 WeakPolarHBondContact O-CB 3.49Å; E61-S65 PolarHBondContact O-N 2.96Å; E61-S65 PolarHBondContact O-OG 3.08Å
66R45.2Very low48.4Very low216 Ų216135.4 Ų135.482%0.81568%0.677SS**Hα-helixtrans-72.1-30.2174.4-71.9179-177-173.42.3113.6A62 A63 V64A62-R66 WeakPolarHBondContact O-CG 3.46Å; A62-R66 PolarHBondContact O-N 3.29Å; A63-R66 PolarHBondContact O-N 3.17Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 3.35Å
67K47.2Very low46.5Very low178 Ų178139.3 Ų139.377%0.77469%0.692SS**Hα-helixtrans-79.8-30.8177.9-76.4-176.3176179.70113.6A63 V64 K69A63-K67 PolarHBondContact O-N 3.04Å; V64-K67 PolarHBondContact O-N 2.99Å; V64-K67 VanDerWaalsContact O-N 3.15Å; K67-K69 PolarHBondContact O-N 3.11Å
68K42.8Very low44.8Very low184 Ų184140.8 Ų140.880%0.870%0.704SS**G310 helixtrans-69.7-16.4-174.4-140176.5-174.9-177.50114.6V64 K70V64-K68 PolarHBondContact O-N 3.32Å; V64-K68 VanDerWaalsContact O-N 3.09Å; K68-K70 VanDerWaalsContact C-N 3.29Å; K68-K70 PolarHBondContact O-N 3.06Å
69K40.8Very low43.2Very low202 Ų202145.4 Ų145.488%0.87873%0.727SS**G310 helixtrans-8210.6-176.8-126-179.4-174.5-1770115.4K67K67-K69 PolarHBondContact O-N 3.11Å
70K42.5Very low41.6Very low206 Ų206146 Ų14690%0.89674%0.74SS**G310 helixtrans-140.219.8-167.4-132.1-179.7-173.8-176.40116K68K68-K70 VanDerWaalsContact C-N 3.29Å; K68-K70 PolarHBondContact O-N 3.06Å
71G35.1Very low40.2Very low65 Ų65148.1 Ų148.167%0.6776%0.758SS**  trans-145.628.4-163.800000118K73G71-K73 PolarHBondContact O-N 3.3Å
72D36.2Very low39.1Very low159 Ų159152.5 Ų152.585%0.8578%0.775SS**  trans-75.799.5167.6-82.6-40.1000110.8
73K36.1Very low38.3Very low201 Ų201156.4 Ų156.487%0.87479%0.793SS**SBendtrans169.7136.6145-91.9149.7-167.6177.30111.4G71G71-K73 PolarHBondContact O-N 3.3Å
74R32.9Very low37.3Very low249 Ų249163.2 Ų163.294%0.9481%0.814SS**  trans78.9107.2171.5-59.1-178.9170.2-165.1-4.2117.7
75L32.6Very low36.3Very low178 Ų178166.3 Ų166.393%0.93283%0.827SS**PPolyproline II helixtrans-96.2133.2151.8-77.5161.6000109
76P35.4Very low35.9Very low121 Ų121170.2 Ų170.279%0.78684%0.839SS**PPolyproline II helixtrans-99.6134.4162.632.8-25.4000111.7
77R33.1Very low35.2Very low237 Ų237171.3 Ų171.389%0.89484%0.843SS**PPolyproline II helixtrans-72.9144.6153.2-79.3171.4147.6137.7-9.1108.2
78T33.3Very low34.4Very low119 Ų119172 Ų17273%0.7385%0.852SS**  177.4141.911433.40000114.2
79D31.4Very low34Very low153 Ų153167.7 Ų167.782%0.81885%0.851SS**  trans65.3141.9133.5-51.2-17.8000125.1
80T33.4Very low33.6Very low144 Ų144164 Ų16488%0.88384%0.84SS**  trans-85.3138.1178.852.20000112.6
81A33.7Very low33.1Very low98 Ų98164.7 Ų164.781%0.8184%0.837SS**  trans-138.6139.2167.700000112.4
82K33.4Very low32.7Very low212 Ų212165 Ų16592%0.92284%0.841SS**  trans-94.7127.7177.8-62.3171.9178175.20110.7
83V32.4Very low32.4Very low131 Ų131169 Ų16979%0.79484%0.844SS**  trans-146.7100.8166.8-1750000107.3
84K32.1Very low32.2Very low195 Ų195168.6 Ų168.685%0.84885%0.848SS**  79.813188-106.3-177.9-179.2179.80114.7
85D28.8Very low31.9Very low159 Ų159163.9 Ų163.985%0.8584%0.841SS**  trans-62.4145.3-174.4-50.3-81.6000114.2
86I36.3Very low31.7Very low168 Ų168161 Ų16186%0.86284%0.836SS**  trans-127.7122.1164.5-60.4-178.7000108.7
87R29.9Very low31.2Very low238 Ų238160.1 Ų160.190%0.89884%0.838SS**  trans-80.4148.9178.9-68.8177.6176.9168.4-1.6111.2
88M30Very low31Very low193 Ų193153.9 Ų153.995%0.95183%0.831SS**  trans-67.5129.8172.7-69.8-80.1-74.700111.8
89A34.5Very low30.7Very low94 Ų94154.2 Ų154.278%0.77783%0.833SS**  trans-153.6112.116100000112.1
90D31.6Very low30.7Very low124 Ų124155 Ų15566%0.66383%0.831SS**  trans57.9131.1141.5-104.420.2000123.9
91R32.3Very low30.5Very low220 Ų220155.4 Ų155.483%0.8383%0.827SS**  trans83.5105.4146-62.3162.9-156.8-177.99.6120.4
92G28Very low30.3Very low72 Ų72156.4 Ų156.474%0.74282%0.815SS**  106.7118.3108.100000117.6
93R29.1Very low30.3Very low242 Ų242151.6 Ų151.691%0.91381%0.805SS**  trans33.7110.2157.4-64.1-177.3-178.7-128.84.9117.9
94M31.3Very low30Very low194 Ų194150.7 Ų150.796%0.95680%0.804SS**  -147.3131.9124.7-85.8-147.3169.300110.9
95D27.3Very low30Very low149 Ų149147.7 Ų147.780%0.79780%0.802SS**  trans-74.9163.2162.2-61.8-70.2000110.1
96S27.9Very low29.9Very low119 Ų119145.4 Ų145.483%0.83280%0.798SS**SBendtrans92104.9168-39.80000118.2
97A25.1Very low29.7Very low101 Ų101148.1 Ų148.184%0.83580%0.798SS**  trans39.7103.1138.600000121.2
98S29.9Very low29.6Very low107 Ų107143.6 Ų143.675%0.74879%0.791SS**  trans-133.9120.9146.2460000106.2
99V27.1Very low30Very low126 Ų126142.4 Ų142.476%0.76478%0.783SS**  54.969.857.1-165.80000111.6
100E29.8Very low29.8Very low168 Ų168143.9 Ų143.979%0.78578%0.778SS**PPolyproline II helixtrans-95.7120.7161.4-72-165.1157.100110.3
101I29Very low29.9Very low153 Ų153144.5 Ų144.579%0.78578%0.778SS**PPolyproline II helixtrans-89.8121.5170.9-62.1166.8000106.7
102H30.5Very low29.8Very low120 Ų120140.5 Ų140.556%0.55677%0.773SS**PPolyproline II helixtrans-92.4135.8171.8-85.7-15.1000111.3R667H102-R667 PolarHBondContact NE2-NH1 3.08Å
103P33.3Very low30Very low110 Ų110141.4 Ų141.471%0.71477%0.768SS**PPolyproline II helixtrans-78.2139.1-175.231.3-34.8000112.2V105P103-V105 PolarHBondContact O-N 2.9Å
104S27.1Very low30.1Very low112 Ų112138 Ų13878%0.78376%0.763SS**PPolyproline II helixtrans-66.8117.9172.652.20000111.6S106S104-S106 PolarHBondContact O-N 2.89Å
105V30.3Very low30.2Very low133 Ų133134.3 Ų134.381%0.80675%0.753SS**  trans-87.890.2169.4-177.40000109.3P103P103-V105 PolarHBondContact O-N 2.9Å
106S28.7Very low30.4Very low110 Ų110134.9 Ų134.977%0.76976%0.756SS**  trans-69.2124.2160-580000108.7S104S104-S106 PolarHBondContact O-N 2.89Å
107R31Very low30.6Very low225 Ų225136.6 Ų136.685%0.84976%0.755SS**  trans-124.3133.6163.5-153.3175.1-173.3-172.6-0.8109.8
108L28.9Very low31Very low143 Ų143140.1 Ų140.175%0.74975%0.754SS**  trans-121.7114-159.3-167.6142.1000108.8
109E37.1Very low30.9Very low168 Ų168139.3 Ų139.379%0.78575%0.749SS**  trans-141.798.1167.6-65.3-176.9174.400104.6
110N31.1Very low31.1Very low125 Ų125143.5 Ų143.567%0.66876%0.757SS**  51.9126.574.3-97.612000112.5
111M32.8Very low31.1Very low138 Ų138143.3 Ų143.368%0.6876%0.762SS**  cis-154.8168.713.7-69.2-142.573.300113.8
112N30.6Very low31Very low136 Ų136139.2 Ų139.273%0.72776%0.757SS**  trans65.1147.8158.3-62.8-5000117.6
113S32.9Very low31Very low90 Ų90142.2 Ų142.263%0.62977%0.771SS**  cis-168161.9-15.7-90.40000106.1
114Q31Very low30.8Very low171 Ų171143.8 Ų143.880%0.79977%0.774SS**  cis-154.5157.21-129.6168.7-102.300107.6
115P33.5Very low30.8Very low116 Ų116142.9 Ų142.975%0.75378%0.782SS**  trans-86.6151176.135.1-32.4000111.7
116N31.8Very low30.8Very low161 Ų161140.4 Ų140.486%0.86178%0.776SS**  trans-137.7138.2154.4-14418.8000109.8
117L31.8Very low30.9Very low156 Ų156140.2 Ų140.282%0.81778%0.775SS**  trans-138.6100.5-163.3-146.6171.2000108.2
118E32.7Very low31Very low174 Ų174138.8 Ų138.881%0.81378%0.777SS**  trans-135.895.4167.3-79.2-179.216700105.2
119S28.9Very low31.4Very low91 Ų91135.5 Ų135.564%0.63676%0.763SS**  74.2102.288.669.10000113.1
120F29.8Very low31.5Very low214 Ų214131 Ų13194%0.93975%0.749SS**  trans-151.8125.6142.5-127.9-85.3000109.9
121D30.8Very low32.2Very low164 Ų164130.8 Ų130.888%0.87775%0.748SS**  trans-72.5152.4177.8-69.8-66.9000111.8
122G26.5Very low32.9Very low67 Ų67129.6 Ų129.669%0.69174%0.744SS**  trans162.179.3169.100000117.9
123Q30.7Very low33.9Very low183 Ų183126.4 Ų126.486%0.85573%0.732SS**  trans71143.4145.7-65.7174.6-57.300121.6
124D29.6Very low35Very low142 Ų142126.7 Ų126.776%0.75972%0.723SS**  trans67.175.3151.3-58.3-7.8000120.9A126D124-A126 PolarHBondContact O-N 2.89Å
125G27.4Very low36.7Very low94 Ų94124.5 Ų124.597%0.96971%0.711SS**  72.2-9.6104.700000119.7S127G125-S127 PolarHBondContact O-N 3.05Å
126A28.5Very low38Very low81 Ų81121.6 Ų121.667%0.66969%0.689SS**  trans-77.5120.5177.900000111D124 H128D124-A126 PolarHBondContact O-N 2.89Å; A126-H128 PolarHBondContact O-N 3.35Å
127S32.5Very low39.8Very low106 Ų106119.8 Ų119.874%0.74167%0.674SS**  trans-52102.2173164.40000111G125 V129G125-S127 PolarHBondContact O-N 3.05Å; S127-V129 VanDerWaalsContact C-N 3.29Å; S127-V129 PolarHBondContact O-N 3.19Å
128H32Very low41.8Very low194 Ų194117.1 Ų117.190%0.89866%0.657SS**  trans-65.186.8177.3-103.3-59.4000111.1A126 C130A126-H128 PolarHBondContact O-N 3.35Å; H128-C130 PolarHBondContact O-N 2.91Å
129V38.4Very low43.5Very low74 Ų74114 Ų11445%0.44864%0.642SS.*  trans-67118.4165.9178.40000106.9S127 C133S127-V129 VanDerWaalsContact C-N 3.29Å; S127-V129 PolarHBondContact O-N 3.19Å; V129-C133 HydrophobicContact CG1-CB 3.49Å; V129-C133 VanDerWaalsContact CG1-CB 3.49Å
130C38.3Very low45.5Very low73 Ų73111 Ų11149%0.49362%0.619SS.*  trans-53.4141.3177.1173.10000111H128 N132 C133 Q134H128-C130 PolarHBondContact O-N 2.91Å; C130-N132 PolarHBondContact O-N 3.47Å; C130-C133 WeakPolarHBondContact O-CA 3.29Å; C130-C133 WeakPolarHBondContact O-CB 3.5Å; C130-C133 PolarHBondContact O-N 2.94Å; C130-Q134 PolarHBondContact O-N 3.42Å; C130-Q134 VanDerWaalsContact O-N 3.08Å
131N45.3Very low47.5Very low121 Ų121105.1 Ų105.165%0.64759%0.594SS**Hα-helixtrans-50.5-30.6178.9-75.8-10.2000113.6K135N131-K135 WeakPolarHBondContact O-CG 3.35Å; N131-K135 PolarHBondContact O-N 3.3Å
132N48.2Very low49.6Very low113 Ų11399.9 Ų99.960%0.60457%0.571SS**Hα-helixtrans-68.5-40.4174.1-71.1-3.3000112.6C130 Q134 L136C130-N132 PolarHBondContact O-N 3.47Å; N132-Q134 VanDerWaalsContact C-N 3.34Å; N132-L136 WeakPolarHBondContact O-CB 3.5Å; N132-L136 WeakPolarHBondContact O-CG 3.46Å; N132-L136 PolarHBondContact O-N 3.05Å
133C51.2Low51.8Low70 Ų7099.8 Ų99.847%0.47355%0.551SS.*Hα-helixtrans-68.2-34.4176-61.20000111.6V129 C130 K137V129-C133 HydrophobicContact CG1-CB 3.49Å; V129-C133 VanDerWaalsContact CG1-CB 3.49Å; C130-C133 WeakPolarHBondContact O-CA 3.29Å; C130-C133 WeakPolarHBondContact O-CB 3.5Å; C130-C133 PolarHBondContact O-N 2.94Å; C133-K137 WeakPolarHBondContact O-CB 3.33Å; C133-K137 PolarHBondContact O-N 3.11Å
134Q57.1Low53.7Low96 Ų9695.9 Ų95.945%0.44953%0.533SS..Hα-helixtrans-67.2-48.7174-176.3171.6-16.500111.5C130 N132 L136 K137 E138C130-Q134 PolarHBondContact O-N 3.42Å; C130-Q134 VanDerWaalsContact O-N 3.08Å; N132-Q134 VanDerWaalsContact C-N 3.34Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 3.46Å; Q134-K137 WeakPolarHBondContact O-CB 3.32Å; Q134-K137 PolarHBondContact O-N 3.2Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.35Å; Q134-E138 PolarHBondContact NE2-OE1 3.02Å; Q134-E138 VanDerWaalsContact NE2-OE1 3.13Å; Q134-E138 WeakPolarHBondContact O-CG 3.38Å; Q134-E138 PolarHBondContact O-N 3.22Å
135K66.3Low55.8Low124 Ų12492.4 Ų92.454%0.53952%0.517SS..Hα-helixtrans-57.4-40.7173.4-75.2-176.7174.6-168.50112.9N131 K137 E138 Q139N131-K135 WeakPolarHBondContact O-CG 3.35Å; N131-K135 PolarHBondContact O-N 3.3Å; K135-K137 VanDerWaalsContact C-N 3.33Å; K135-K137 PolarHBondContact O-N 3.34Å; K135-E138 PolarHBondContact O-N 3.46Å; K135-Q139 WeakPolarHBondContact O-CB 3.33Å; K135-Q139 WeakPolarHBondContact O-CG 3.45Å; K135-Q139 PolarHBondContact O-N 3.37Å
136L61.2Low57.9Low55 Ų5591.3 Ų91.329%0.28849%0.489SS..Hα-helixtrans-63.9-37.2175.2-79.8166000112.3V58 N132 Q134 Q139 L140V58-L136 HydrophobicContact CG2-CD1 4.35Å; N132-L136 WeakPolarHBondContact O-CB 3.5Å; N132-L136 WeakPolarHBondContact O-CG 3.46Å; N132-L136 PolarHBondContact O-N 3.05Å; Q134-L136 VanDerWaalsContact C-N 3.31Å; Q134-L136 PolarHBondContact O-N 3.46Å; L136-Q139 PolarHBondContact O-N 3.3Å; L136-L140 WeakPolarHBondContact O-CG 3.31Å; L136-L140 PolarHBondContact O-N 2.86Å
137K69.4Low59.9Low124 Ų12488.5 Ų88.554%0.53946%0.462SS..Hα-helixtrans-65.9-46.5175.5-166.7178.1-176.2-89.20111.5C133 Q134 K135 Q139 L140 E141C133-K137 WeakPolarHBondContact O-CB 3.33Å; C133-K137 PolarHBondContact O-N 3.11Å; Q134-K137 WeakPolarHBondContact O-CB 3.32Å; Q134-K137 PolarHBondContact O-N 3.2Å; K135-K137 VanDerWaalsContact C-N 3.33Å; K135-K137 PolarHBondContact O-N 3.34Å; K137-Q139 VanDerWaalsContact C-N 3.32Å; K137-Q139 PolarHBondContact O-N 3.44Å; K137-L140 PolarHBondContact O-N 2.93Å; K137-L140 VanDerWaalsContact O-N 3.15Å; K137-E141 WeakPolarHBondContact CE-OE1 3.31Å; K137-E141 WeakPolarHBondContact CG-OE1 3.4Å; K137-E141 IonicContact NZ-OE1 3.63Å; K137-E141 PolarHBondContact NZ-OE1 2.98Å; K137-E141 WeakPolarHBondContact O-CG 3.4Å; K137-E141 PolarHBondContact O-N 3.04Å
138E72.3Confident61.9Low100 Ų10088.4 Ų88.447%0.46745%0.453SS..Hα-helixtrans-61.4-37.7175.6-68.3164.4-172.900111.9Q134 K135 S142Q134-E138 WeakPolarHBondContact CG-OE1 3.35Å; Q134-E138 PolarHBondContact NE2-OE1 3.02Å; Q134-E138 VanDerWaalsContact NE2-OE1 3.13Å; Q134-E138 WeakPolarHBondContact O-CG 3.38Å; Q134-E138 PolarHBondContact O-N 3.22Å; K135-E138 PolarHBondContact O-N 3.46Å; E138-S142 WeakPolarHBondContact O-CB 3.39Å; E138-S142 PolarHBondContact O-N 3.47Å; E138-S142 PolarHBondContact O-OG 3.08Å
139Q69.7Low63.9Low107 Ų10786.1 Ų86.150%0.544%0.436SS..Hα-helixtrans-69.6-33.1173.5-75.4-175.70.900113.7K135 L136 K137 S142 K143K135-Q139 WeakPolarHBondContact O-CB 3.33Å; K135-Q139 WeakPolarHBondContact O-CG 3.45Å; K135-Q139 PolarHBondContact O-N 3.37Å; L136-Q139 PolarHBondContact O-N 3.3Å; K137-Q139 VanDerWaalsContact C-N 3.32Å; K137-Q139 PolarHBondContact O-N 3.44Å; Q139-S142 WeakPolarHBondContact CA-OG 3.5Å; Q139-S142 PolarHBondContact O-OG 3.18Å; Q139-K143 WeakPolarHBondContact O-CB 3.44Å; Q139-K143 PolarHBondContact O-N 3.19Å
140L70.1Confident65.3Low30 Ų3083.6 Ų83.616%0.15742%0.422CS..Hα-helixtrans-70.2-51.4173.5-78.5162.9000110.8L51 M54 L55 L136 K137 S142 K143 E144L51-L140 HydrophobicContact CD1-CD2 4.13Å; L51-L140 HydrophobicContact CG-CD2 4.27Å; M54-L140 HydrophobicContact CB-CD2 4.5Å; M54-L140 HydrophobicContact CE-CD2 3.74Å; M54-L140 HydrophobicContact CE-CG 4.39Å; L55-L140 HydrophobicContact CD2-CD2 4.17Å; L55-L140 HydrophobicContact CG-CD2 4.37Å; L136-L140 WeakPolarHBondContact O-CG 3.31Å; L136-L140 PolarHBondContact O-N 2.86Å; K137-L140 PolarHBondContact O-N 2.93Å; K137-L140 VanDerWaalsContact O-N 3.15Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 3.09Å; L140-K143 PolarHBondContact O-N 3.15Å; L140-K143 VanDerWaalsContact O-N 3.12Å; L140-E144 WeakPolarHBondContact O-CG 3.37Å; L140-E144 PolarHBondContact O-N 2.88Å
141E73.1Confident67Low89 Ų8984.1 Ų84.142%0.41642%0.417SS..Hα-helixtrans-59.7-40.9179.8-70.6172.5-174.100112K137 E144 T145K137-E141 WeakPolarHBondContact CE-OE1 3.31Å; K137-E141 WeakPolarHBondContact CG-OE1 3.4Å; K137-E141 IonicContact NZ-OE1 3.63Å; K137-E141 PolarHBondContact NZ-OE1 2.98Å; K137-E141 WeakPolarHBondContact O-CG 3.4Å; K137-E141 PolarHBondContact O-N 3.04Å; E141-E144 PolarHBondContact O-N 3.4Å; E141-T145 WeakPolarHBondContact O-CG2 3.2Å; E141-T145 PolarHBondContact O-N 3.37Å; E141-T145 PolarHBondContact O-OG1 3.43Å
142S73Confident68.6Low54 Ų5482.2 Ų82.238%0.37841%0.407SS..Hα-helixtrans-67.1-36.817556.80000113.3E138 Q139 L140 T145 N146E138-S142 WeakPolarHBondContact O-CB 3.39Å; E138-S142 PolarHBondContact O-N 3.47Å; E138-S142 PolarHBondContact O-OG 3.08Å; Q139-S142 WeakPolarHBondContact CA-OG 3.5Å; Q139-S142 PolarHBondContact O-OG 3.18Å; L140-S142 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 3.09Å; S142-T145 PolarHBondContact O-OG1 3.5Å; S142-T145 VanDerWaalsContact O-OG1 3.11Å; S142-N146 WeakPolarHBondContact O-CB 3.26Å; S142-N146 PolarHBondContact O-N 2.87Å; S142-N146 VanDerWaalsContact O-N 3.16Å; S142-N146 PolarHBondContact O-ND2 2.85Å
143K72.6Confident69.8Low66 Ų6680.5 Ų80.529%0.28740%0.395SS..Hα-helixtrans-73-35174.2-83-178.1160.4-1720113E50 L51 M54 Q139 L140 N146 L147E50-K143 IonicContact OE2-NZ 2.85Å; E50-K143 PolarHBondContact OE2-NZ 3.13Å; L51-K143 HydrophobicContact CD1-CB 3.7Å; M54-K143 HydrophobicContact CE-CD 3.51Å; M54-K143 HydrophobicContact SD-CD 4.12Å; Q139-K143 WeakPolarHBondContact O-CB 3.44Å; Q139-K143 PolarHBondContact O-N 3.19Å; L140-K143 PolarHBondContact O-N 3.15Å; L140-K143 VanDerWaalsContact O-N 3.12Å; K143-N146 PolarHBondContact O-N 3.15Å; K143-L147 PolarHBondContact O-N 2.99Å
144E70.9Confident70.8Confident101 Ų10177.7 Ų77.747%0.47238%0.376SS..Hα-helixtrans-66.2-45.4174-73.7-177.9169.400112.1L51 L140 E141 N146 L147 L148L51-E144 HydrophobicContact CD1-CG 4.19Å; L51-E144 HydrophobicContact CD2-CG 4.29Å; L140-E144 WeakPolarHBondContact O-CG 3.37Å; L140-E144 PolarHBondContact O-N 2.88Å; E141-E144 PolarHBondContact O-N 3.4Å; E144-N146 VanDerWaalsContact C-N 3.31Å; E144-N146 PolarHBondContact O-N 3.16Å; E144-L147 WeakPolarHBondContact O-CB 3.22Å; E144-L147 PolarHBondContact O-N 3.44Å; E144-L148 PolarHBondContact O-N 3.02Å
145T74.1Confident71.8Confident69 Ų6978.2 Ų78.242%0.42338%0.378SS..Hα-helixtrans-65.6-33.117658.80000112.8E141 S142 R149E141-T145 WeakPolarHBondContact O-CG2 3.2Å; E141-T145 PolarHBondContact O-N 3.37Å; E141-T145 PolarHBondContact O-OG1 3.43Å; S142-T145 PolarHBondContact O-OG1 3.5Å; S142-T145 VanDerWaalsContact O-OG1 3.11Å; T145-R149 WeakPolarHBondContact O-CB 3.48Å; T145-R149 PolarHBondContact O-N 2.89Å; T145-R149 PolarHBondContact O-NE 3.37Å; T145-R149 PolarHBondContact OG1-NH2 3.41Å
146N72.5Confident72.4Confident71 Ų7178.1 Ų78.138%0.3838%0.38SS..Hα-helixtrans-67.3-41.6172.1-77.9-33.8000111.9S142 K143 E144 R149 S150S142-N146 WeakPolarHBondContact O-CB 3.26Å; S142-N146 PolarHBondContact O-N 2.87Å; S142-N146 VanDerWaalsContact O-N 3.16Å; S142-N146 PolarHBondContact O-ND2 2.85Å; K143-N146 PolarHBondContact O-N 3.15Å; E144-N146 VanDerWaalsContact C-N 3.31Å; E144-N146 PolarHBondContact O-N 3.16Å; N146-R149 PolarHBondContact O-N 3.43Å; N146-R149 PolarHBondContact OD1-NH1 2.94Å; N146-R149 PolarHBondContact OD1-NH2 3.47Å; N146-S150 PolarHBondContact O-N 2.94Å
147L70Confident72.9Confident21 Ų2176.3 Ų76.311%0.1137%0.37CS..Hα-helixtrans-59.6-50.5173.3-86.2163.9000111M44 N47 L51 K143 E144 R149 S150 E151M44-L147 HydrophobicContact CG-CD2 4.12Å; N47-L147 HydrophobicContact CB-CD2 3.81Å; N47-L147 HydrophobicContact CB-CG 4.22Å; L51-L147 HydrophobicContact CD1-CD1 4.37Å; L51-L147 HydrophobicContact CD2-CD1 4.44Å; K143-L147 PolarHBondContact O-N 2.99Å; E144-L147 WeakPolarHBondContact O-CB 3.22Å; E144-L147 PolarHBondContact O-N 3.44Å; L147-R149 VanDerWaalsContact C-N 3.33Å; L147-R149 PolarHBondContact O-N 3.31Å; L147-S150 CarbonylContact O-C 3.59Å; L147-S150 WeakPolarHBondContact O-CA 3.31Å; L147-S150 WeakPolarHBondContact O-CB 3.48Å; L147-S150 PolarHBondContact O-N 2.98Å; L147-S150 PolarHBondContact O-OG 3.32Å; L147-E151 PolarHBondContact O-N 3.3Å
148L75.2Confident73.3Confident104 Ų10476.4 Ų76.455%0.54537%0.37SS..Hα-helixtrans-59.9-40.3179.3-167.271.3000112.5E144 E151 N152E144-L148 PolarHBondContact O-N 3.02Å; L148-E151 PolarHBondContact O-N 3.08Å; L148-N152 PolarHBondContact O-N 2.8Å; L148-N152 VanDerWaalsContact O-N 3.07Å; L148-N152 PolarHBondContact O-ND2 2.96Å
149R73.4Confident73.7Confident146 Ų14678.4 Ų78.455%0.55138%0.378SS*.Hα-helixtrans-62.6-40.2172-82.8-177.2-90.3119.44.2112.1T145 N146 L147 H153T145-R149 WeakPolarHBondContact O-CB 3.48Å; T145-R149 PolarHBondContact O-N 2.89Å; T145-R149 PolarHBondContact O-NE 3.37Å; T145-R149 PolarHBondContact OG1-NH2 3.41Å; N146-R149 PolarHBondContact O-N 3.43Å; N146-R149 PolarHBondContact OD1-NH1 2.94Å; N146-R149 PolarHBondContact OD1-NH2 3.47Å; L147-R149 VanDerWaalsContact C-N 3.33Å; L147-R149 PolarHBondContact O-N 3.31Å; R149-H153 PolarHBondContact O-N 3.47Å; R149-H153 VanDerWaalsContact O-N 3.11Å
150S68.1Low73.8Confident22 Ų2274.6 Ų74.615%0.15436%0.362CS..Hα-helixtrans-68.1-38.1177.278.20000113.1N146 L147 H153 I154N146-S150 PolarHBondContact O-N 2.94Å; L147-S150 CarbonylContact O-C 3.59Å; L147-S150 WeakPolarHBondContact O-CA 3.31Å; L147-S150 WeakPolarHBondContact O-CB 3.48Å; L147-S150 PolarHBondContact O-N 2.98Å; L147-S150 PolarHBondContact O-OG 3.32Å; S150-H153 PolarHBondContact O-N 3.34Å; S150-I154 WeakPolarHBondContact O-CG1 3.14Å; S150-I154 PolarHBondContact O-N 3.45Å
151E74.5Confident74Confident83 Ų8374 Ų7439%0.38836%0.358SS..Hα-helixtrans-65.3-44.4176.2-72.6-176.6160.700111.4M44 L147 L148 H153 I154 Q155M44-E151 HydrophobicContact SD-CG 3.93Å; L147-E151 PolarHBondContact O-N 3.3Å; L148-E151 PolarHBondContact O-N 3.08Å; E151-H153 VanDerWaalsContact C-N 3.34Å; E151-H153 PolarHBondContact O-N 2.85Å; E151-I154 PolarHBondContact O-N 3.47Å; E151-Q155 WeakPolarHBondContact O-CG 3.25Å; E151-Q155 PolarHBondContact O-N 3.32Å
152N78.1Confident74.3Confident81 Ų8173 Ų7343%0.43336%0.358SS..Hα-helixtrans-59.2-42.6173.9-80-35.7000112.3L148 Q155 Q156L148-N152 PolarHBondContact O-N 2.8Å; L148-N152 VanDerWaalsContact O-N 3.07Å; L148-N152 PolarHBondContact O-ND2 2.96Å; N152-Q155 PolarHBondContact O-N 3.38Å; N152-Q156 WeakPolarHBondContact O-CG 3.47Å; N152-Q156 PolarHBondContact O-N 2.74Å
153H73.6Confident74.5Confident77 Ų7775.6 Ų75.636%0.35636%0.363SS..Hα-helixtrans-66.2-38.6176.4-173.6-160.4000112.3R149 S150 E151 Q155 Q156 L157R149-H153 PolarHBondContact O-N 3.47Å; R149-H153 VanDerWaalsContact O-N 3.11Å; S150-H153 PolarHBondContact O-N 3.34Å; E151-H153 VanDerWaalsContact C-N 3.34Å; E151-H153 PolarHBondContact O-N 2.85Å; H153-Q155 VanDerWaalsContact C-N 3.34Å; H153-Q155 PolarHBondContact O-N 2.88Å; H153-Q156 PolarHBondContact O-N 2.9Å; H153-L157 WeakPolarHBondContact O-CG 3.28Å; H153-L157 PolarHBondContact O-N 2.8Å
154I72Confident74.5Confident11 Ų1172.7 Ų72.76%0.05635%0.35CS..Hα-helixtrans-62.7-40.4172.5-72.2166000111L37 L40 M44 S150 E151 L157 K158L37-I154 HydrophobicContact CD2-CB 4.39Å; L37-I154 HydrophobicContact CD2-CG1 4.38Å; L37-I154 HydrophobicContact CD2-CG2 4.06Å; L40-I154 HydrophobicContact CB-CD1 4.16Å; L40-I154 HydrophobicContact CB-CG1 3.92Å; L40-I154 HydrophobicContact CD1-CG1 4.46Å; M44-I154 HydrophobicContact CB-CD1 4.27Å; M44-I154 HydrophobicContact CG-CD1 4.49Å; M44-I154 HydrophobicContact SD-CD1 3.66Å; S150-I154 WeakPolarHBondContact O-CG1 3.14Å; S150-I154 PolarHBondContact O-N 3.45Å; E151-I154 PolarHBondContact O-N 3.47Å; I154-L157 PolarHBondContact O-N 3.43Å; I154-K158 HydrophobicContact CG2-CD 4.22Å; I154-K158 WeakPolarHBondContact O-CB 3.25Å; I154-K158 WeakPolarHBondContact O-CG 3.23Å; I154-K158 PolarHBondContact O-N 3.22Å
155Q78.5Confident74.7Confident107 Ų10769 Ų6950%0.533%0.333SS..Hα-helixtrans-64.7-41.1175.1-70.3-174.128.200112.4E151 N152 H153 K158 K159E151-Q155 WeakPolarHBondContact O-CG 3.25Å; E151-Q155 PolarHBondContact O-N 3.32Å; N152-Q155 PolarHBondContact O-N 3.38Å; H153-Q155 VanDerWaalsContact C-N 3.34Å; H153-Q155 PolarHBondContact O-N 2.88Å; Q155-K158 PolarHBondContact O-N 2.89Å; Q155-K159 WeakPolarHBondContact O-CG 3.44Å; Q155-K159 PolarHBondContact O-N 2.89Å
156Q78.6Confident74.9Confident122 Ų12271.3 Ų71.357%0.5734%0.339SS*.Hα-helixtrans-60.3-51.3174.2-73.5175.1-10.700111.3N152 H153 K158 K159 T160N152-Q156 WeakPolarHBondContact O-CG 3.47Å; N152-Q156 PolarHBondContact O-N 2.74Å; H153-Q156 PolarHBondContact O-N 2.9Å; Q156-K158 VanDerWaalsContact C-N 3.32Å; Q156-K158 PolarHBondContact O-N 3.27Å; Q156-K159 WeakPolarHBondContact O-CB 3.4Å; Q156-K159 PolarHBondContact O-N 3.25Å; Q156-K159 VanDerWaalsContact O-N 3.08Å; Q156-T160 PolarHBondContact O-N 3.38Å; Q156-T160 PolarHBondContact O-OG1 3Å; Q156-T160 VanDerWaalsContact O-OG1 3.07Å
157L70.9Confident74.8Confident17 Ų1770.8 Ų70.89%0.08934%0.335CS..Hα-helixtrans-61.1-38.1178.8-75169.3000112.8M33 L37 L40 H153 I154 T160 I161M33-L157 HydrophobicContact SD-CD2 4.46Å; L37-L157 HydrophobicContact CD1-CB 4.32Å; L37-L157 HydrophobicContact CD2-CB 3.53Å; L37-L157 HydrophobicContact CD2-CD1 3.96Å; L37-L157 HydrophobicContact CD2-CG 4.42Å; L37-L157 HydrophobicContact CG-CB 3.81Å; L37-L157 HydrophobicContact CG-CD1 4.24Å; L40-L157 HydrophobicContact CD1-CD1 3.32Å; H153-L157 WeakPolarHBondContact O-CG 3.28Å; H153-L157 PolarHBondContact O-N 2.8Å; I154-L157 PolarHBondContact O-N 3.43Å; L157-T160 PolarHBondContact O-N 3.43Å; L157-I161 PolarHBondContact O-N 2.99Å
158K77.8Confident74.7Confident126 Ų12670.5 Ų70.555%0.54833%0.333SS..Hα-helixtrans-60.3-44.5172.3-78.1176.6177.5-178.80111.9L37 I154 Q155 Q156 T160 I161 V162L37-K158 HydrophobicContact CD1-CG 4.31Å; L37-K158 HydrophobicContact CD2-CG 4.49Å; I154-K158 HydrophobicContact CG2-CD 4.22Å; I154-K158 WeakPolarHBondContact O-CB 3.25Å; I154-K158 WeakPolarHBondContact O-CG 3.23Å; I154-K158 PolarHBondContact O-N 3.22Å; Q155-K158 PolarHBondContact O-N 2.89Å; Q156-K158 VanDerWaalsContact C-N 3.32Å; Q156-K158 PolarHBondContact O-N 3.27Å; K158-T160 VanDerWaalsContact C-N 3.31Å; K158-T160 PolarHBondContact O-N 3.28Å; K158-I161 PolarHBondContact O-N 3.1Å; K158-V162 WeakPolarHBondContact O-CG2 3.37Å; K158-V162 PolarHBondContact O-N 3.07Å
159K80.2Confident74.7Confident142 Ų14267 Ų6762%0.61732%0.315SS*.Hα-helixtrans-60.9-39.4174.6-71.1173.4179.9178.80111.6Q155 Q156 K163Q155-K159 WeakPolarHBondContact O-CG 3.44Å; Q155-K159 PolarHBondContact O-N 2.89Å; Q156-K159 WeakPolarHBondContact O-CB 3.4Å; Q156-K159 PolarHBondContact O-N 3.25Å; Q156-K159 VanDerWaalsContact O-N 3.08Å; K159-K163 WeakPolarHBondContact O-CG 3.13Å; K159-K163 PolarHBondContact O-N 3.42Å; K159-K163 VanDerWaalsContact O-N 3.16Å
160T73.5Confident74.6Confident28 Ų2865.2 Ų65.217%0.17231%0.311CS..Hα-helixtrans-70.5-36.7177.7-41.50000112.6M33 Q156 L157 K158 K163 L164 F187M33-T160 HydrophobicContact CE-CG2 3.71Å; M33-T160 HydrophobicContact SD-CG2 3.73Å; Q156-T160 PolarHBondContact O-N 3.38Å; Q156-T160 PolarHBondContact O-OG1 3Å; Q156-T160 VanDerWaalsContact O-OG1 3.07Å; L157-T160 PolarHBondContact O-N 3.43Å; K158-T160 VanDerWaalsContact C-N 3.31Å; K158-T160 PolarHBondContact O-N 3.28Å; T160-K163 PolarHBondContact O-N 3.33Å; T160-L164 PolarHBondContact O-N 2.88Å; T160-L164 VanDerWaalsContact O-N 3.08Å; T160-F187 HydrophobicContact CG2-CE1 4.12Å; T160-F187 HydrophobicContact CG2-CZ 4.1Å
161I74.1Confident74.5Confident16 Ų1665.4 Ų65.48%0.08231%0.31CS..Hα-helixtrans-63.1-47.4172.8-72.7-168.3000110.9Y30 M33 E34 L37 L157 K158 K163 L164 E165Y30-I161 HydrophobicContact CD2-CG2 4.46Å; Y30-I161 HydrophobicContact CE2-CG2 3.94Å; M33-I161 HydrophobicContact CB-CD1 4.22Å; M33-I161 HydrophobicContact CB-CG1 4.08Å; M33-I161 HydrophobicContact CE-CB 4.47Å; M33-I161 HydrophobicContact CE-CG1 3.64Å; E34-I161 HydrophobicContact CB-CD1 4.49Å; L37-I161 HydrophobicContact CD1-CD1 3.44Å; L37-I161 VanDerWaalsContact CD1-CD1 3.44Å; L37-I161 HydrophobicContact CD1-CG1 4.29Å; L157-I161 PolarHBondContact O-N 2.99Å; K158-I161 PolarHBondContact O-N 3.1Å; I161-K163 VanDerWaalsContact C-N 3.26Å; I161-K163 PolarHBondContact O-N 3.13Å; I161-L164 CarbonylContact O-C 3.59Å; I161-L164 WeakPolarHBondContact O-CA 3.1Å; I161-L164 PolarHBondContact O-N 2.86Å; I161-E165 HydrophobicContact CG2-CG 4.15Å; I161-E165 WeakPolarHBondContact O-CG 3.46Å; I161-E165 PolarHBondContact O-N 3.39Å
162V77.9Confident74.1Confident68 Ų6867.7 Ų67.741%0.41232%0.315SS..Hα-helixtrans-56.4-41.7177.8172.20000111.2K158 L164 E165 E166K158-V162 WeakPolarHBondContact O-CG2 3.37Å; K158-V162 PolarHBondContact O-N 3.07Å; V162-L164 PolarHBondContact O-N 3.4Å; V162-E165 WeakPolarHBondContact O-CB 3.49Å; V162-E165 PolarHBondContact O-N 3.07Å; V162-E166 HydrophobicContact CG1-CG 4.49Å; V162-E166 WeakPolarHBondContact O-CB 3.39Å; V162-E166 VanDerWaalsContact O-CG 3.3Å; V162-E166 WeakPolarHBondContact O-CG 3.49Å; V162-E166 PolarHBondContact O-N 3.26Å
163K78.4Confident73.6Confident110 Ų11071.2 Ų71.248%0.47833%0.327SS..Hα-helixtrans-63.1-36.6173.9-71.8-176.1177.6-1700113.9K159 T160 I161 Q167 F187K159-K163 WeakPolarHBondContact O-CG 3.13Å; K159-K163 PolarHBondContact O-N 3.42Å; K159-K163 VanDerWaalsContact O-N 3.16Å; T160-K163 PolarHBondContact O-N 3.33Å; I161-K163 VanDerWaalsContact C-N 3.26Å; I161-K163 PolarHBondContact O-N 3.13Å; K163-Q167 WeakPolarHBondContact O-CG 3.47Å; K163-Q167 PolarHBondContact O-N 2.68Å; K163-F187 HydrophobicContact CB-CZ 4.28Å; K163-F187 HydrophobicContact CD-CE2 3.96Å; K163-F187 HydrophobicContact CD-CZ 4.11Å
164L72.3Confident73.3Confident4 Ų472 Ų722%0.02133%0.333CS..Hα-helixtrans-71.5-36.4174.2-68.1-168.3000112.2L26 R29 M33 T160 I161 V162 Q167 L168 F187L26-L164 HydrophobicContact CD2-CD2 3.94Å; R29-L164 HydrophobicContact CB-CD1 4.05Å; M33-L164 HydrophobicContact CE-CD1 3.38Å; M33-L164 HydrophobicContact CE-CG 3.94Å; T160-L164 PolarHBondContact O-N 2.88Å; T160-L164 VanDerWaalsContact O-N 3.08Å; I161-L164 CarbonylContact O-C 3.59Å; I161-L164 WeakPolarHBondContact O-CA 3.1Å; I161-L164 PolarHBondContact O-N 2.86Å; V162-L164 PolarHBondContact O-N 3.4Å; L164-Q167 PolarHBondContact O-N 3.26Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.37Å; L164-F187 HydrophobicContact CD2-CE1 4.38Å
165E74.4Confident72.3Confident24 Ų2474.7 Ų74.711%0.11237%0.365CS..Hα-helixtrans-61.4-45.4172.5-69.1179.2162.800110.4Y30 I161 V162 L168 D169Y30-E165 HydrophobicContact CE2-CG 4.41Å; I161-E165 HydrophobicContact CG2-CG 4.15Å; I161-E165 WeakPolarHBondContact O-CG 3.46Å; I161-E165 PolarHBondContact O-N 3.39Å; V162-E165 WeakPolarHBondContact O-CB 3.49Å; V162-E165 PolarHBondContact O-N 3.07Å; E165-L168 PolarHBondContact O-N 3.02Å; E165-D169 PolarHBondContact O-N 2.9Å
166E78.3Confident71Confident118 Ų11876.3 Ų76.355%0.55137%0.37SS*.Hα-helixtrans-59.6-44.1174.3-73166.4174.500112.2V162 D169 F170V162-E166 HydrophobicContact CG1-CG 4.49Å; V162-E166 WeakPolarHBondContact O-CB 3.39Å; V162-E166 VanDerWaalsContact O-CG 3.3Å; V162-E166 WeakPolarHBondContact O-CG 3.49Å; V162-E166 PolarHBondContact O-N 3.26Å; E166-D169 PolarHBondContact O-N 3.27Å; E166-F170 WeakPolarHBondContact O-CB 3.29Å; E166-F170 PolarHBondContact O-N 3.48Å
167Q70.8Confident69.5Low60 Ų6072.7 Ų72.728%0.2836%0.36SS..Hα-helixtrans-63.9-40.9175.1-77.4-179.6-20.500112.6K163 L164 F170 I171K163-Q167 WeakPolarHBondContact O-CG 3.47Å; K163-Q167 PolarHBondContact O-N 2.68Å; L164-Q167 PolarHBondContact O-N 3.26Å; Q167-F170 PolarHBondContact O-N 3.06Å; Q167-I171 WeakPolarHBondContact O-CG1 3.35Å; Q167-I171 PolarHBondContact O-N 2.93Å
168L69.1Low68.1Low14 Ų1478.5 Ų78.57%0.07339%0.392CS..Hα-helixtrans-65.9-41.2175.8-74.5169.6000111.8A13 L26 L164 E165 R172A13-L168 HydrophobicContact CB-CD2 4.28Å; L26-L168 HydrophobicContact CB-CD2 3.95Å; L26-L168 HydrophobicContact CD1-CD2 4.19Å; L164-L168 WeakPolarHBondContact O-CB 3.29Å; L164-L168 WeakPolarHBondContact O-CG 3.39Å; L164-L168 PolarHBondContact O-N 3.37Å; E165-L168 PolarHBondContact O-N 3.02Å; L168-R172 VanDerWaalsContact O-CB 3.28Å; L168-R172 WeakPolarHBondContact O-CB 3.37Å; L168-R172 PolarHBondContact O-N 2.95Å
169D73.6Confident66.5Low32 Ų3277.5 Ų77.517%0.17139%0.389CS..Hα-helixtrans-68.9-31.4175.4-117-19.9000112.3L9 E165 E166 R172 K173L9-D169 VanDerWaalsContact CD2-OD1 3.25Å; L9-D169 WeakPolarHBondContact CD2-OD1 3.06Å; E165-D169 PolarHBondContact O-N 2.9Å; E166-D169 PolarHBondContact O-N 3.27Å; D169-R172 IonicContact OD1-NH1 3.61Å; D169-R172 PolarHBondContact OD1-NH1 3.09Å; D169-K173 VanDerWaalsContact O-CG 3.32Å; D169-K173 WeakPolarHBondContact O-CG 3.47Å; D169-K173 PolarHBondContact O-N 3.25Å; D169-K173 VanDerWaalsContact O-N 3.08Å
170F71.2Confident64.8Low108 Ų10873.7 Ų73.747%0.47438%0.38SS..Hα-helixtrans-67.3-50.1173.2-176.7-87.6000111.7E166 Q167 R172 K173 N174E166-F170 WeakPolarHBondContact O-CB 3.29Å; E166-F170 PolarHBondContact O-N 3.48Å; Q167-F170 PolarHBondContact O-N 3.06Å; F170-R172 PolarHBondContact O-N 3.28Å; F170-K173 PolarHBondContact O-N 3.13Å; F170-K173 VanDerWaalsContact O-N 3.09Å; F170-N174 HydrophobicContact CE1-CB 4.45Å; F170-N174 WeakPolarHBondContact CE2-ND2 3.43Å; F170-N174 WeakPolarHBondContact CZ-ND2 3.38Å; F170-N174 PolarHBondContact O-N 2.72Å
171I66.4Low63.4Low25 Ų2582.1 Ų82.113%0.12841%0.409CS..Hα-helixtrans-58-41.3176.3-69.3165.6000110.4V23 L26 Q167 K173 G175V23-I171 HydrophobicContact CG2-CG2 4.14Å; L26-I171 HydrophobicContact CD1-CD1 3.34Å; Q167-I171 WeakPolarHBondContact O-CG1 3.35Å; Q167-I171 PolarHBondContact O-N 2.93Å; I171-K173 PolarHBondContact O-N 2.98Å; I171-G175 PolarHBondContact O-N 2.94Å
172R65.5Low62Low131 Ų13188.2 Ų88.249%0.49444%0.437SS..Hα-helixtrans-61.3-38.8175.7177.7-176.5169.2-139.4-3.9113.4L168 D169 F170L168-R172 VanDerWaalsContact O-CB 3.28Å; L168-R172 WeakPolarHBondContact O-CB 3.37Å; L168-R172 PolarHBondContact O-N 2.95Å; D169-R172 IonicContact OD1-NH1 3.61Å; D169-R172 PolarHBondContact OD1-NH1 3.09Å; F170-R172 PolarHBondContact O-N 3.28Å
173K68.7Low60.8Low156 Ų15687 Ų8768%0.67843%0.432SS*.Hα-helixtrans-77.7-39.6-179-76.1172.3-176.2173.70112.9D169 F170 I171D169-K173 VanDerWaalsContact O-CG 3.32Å; D169-K173 WeakPolarHBondContact O-CG 3.47Å; D169-K173 PolarHBondContact O-N 3.25Å; D169-K173 VanDerWaalsContact O-N 3.08Å; F170-K173 PolarHBondContact O-N 3.13Å; F170-K173 VanDerWaalsContact O-N 3.09Å; I171-K173 PolarHBondContact O-N 2.98Å
174N67.3Low59.2Low92 Ų9284.3 Ų84.349%0.49242%0.422SS..Hα-helixtrans-103.5-10.1-166-64.7-14.3000114F170 K176F170-N174 HydrophobicContact CE1-CB 4.45Å; F170-N174 WeakPolarHBondContact CE2-ND2 3.43Å; F170-N174 WeakPolarHBondContact CZ-ND2 3.38Å; F170-N174 PolarHBondContact O-N 2.72Å; N174-K176 PolarHBondContact O-N 3.14Å
175G51.4Low57.9Low69 Ų6988.3 Ų88.371%0.71144%0.443SS*.SBendtrans67.5-7.3170.600000116.1I171I171-G175 PolarHBondContact O-N 2.94Å
176K51.2Low56.6Low141 Ų14190.1 Ų90.161%0.61346%0.462SS*.SBendtrans-130.3133.3177.1-67.2-177.8177.8-179.50109.7N174 D178N174-K176 PolarHBondContact O-N 3.14Å; K176-D178 VanDerWaalsContact C-N 3.32Å; K176-D178 PolarHBondContact O-N 2.87Å
177A46.6Very low54.8Low45 Ų4586.7 Ų86.737%0.37245%0.446SS..  trans-89.772170.100000109E179A177-E179 PolarHBondContact O-N 3.39Å
178D41.7Very low53.5Low139 Ų13986.3 Ų86.374%0.74345%0.447SS*.  trans-78.854.9175.6-73.3-29.5000111.3K176K176-D178 VanDerWaalsContact C-N 3.32Å; K176-D178 PolarHBondContact O-N 2.87Å
179E44.6Very low52.4Low106 Ų10689.5 Ų89.550%0.49547%0.467SS..SBendtrans-134.7130.5166.4-74.8-165.8-162.600110.4A177 S183A177-E179 PolarHBondContact O-N 3.39Å; E179-S183 WeakPolarHBondContact OE2-CB 3.45Å; E179-S183 PolarHBondContact OE2-OG 3.46Å
180S43.8Very low50.8Low61 Ų6192 Ų9243%0.42749%0.493SS..  trans-63.5158.5-175.271.40000111.9E182 S183S180-E182 PolarHBondContact O-N 3.25Å; S180-E182 PolarHBondContact OG-N 2.9Å; S180-E182 PolarHBondContact OG-OE2 3.19Å; S180-S183 PolarHBondContact O-N 2.94Å
181R44.3Very low49.2Very low205 Ų20589.5 Ų89.577%0.77449%0.488SS*.Hα-helixtrans-47.3-31.9170.1-112178.3177.31611.3112.2I184 D185R181-I184 PolarHBondContact O-N 3.37Å; R181-D185 WeakPolarHBondContact O-CB 3.45Å; R181-D185 PolarHBondContact O-N 3.19Å
182E45.5Very low47.7Very low144 Ų14492.3 Ų92.367%0.67351%0.507SS*.Hα-helixtrans-71.8-33.2-178.9-59.5142.9153.800113.2S180 I184 D185 A186S180-E182 PolarHBondContact O-N 3.25Å; S180-E182 PolarHBondContact OG-N 2.9Å; S180-E182 PolarHBondContact OG-OE2 3.19Å; E182-I184 VanDerWaalsContact C-N 3.32Å; E182-D185 PolarHBondContact O-N 3.36Å; E182-A186 WeakPolarHBondContact O-CB 3.49Å; E182-A186 PolarHBondContact O-N 2.73Å
183S52.2Low46.1Very low43 Ų4391.4 Ų91.430%0.30152%0.518SS..Hα-helixtrans-60.7-46.4171177.20000110.4E179 S180 D185 A186 F187E179-S183 WeakPolarHBondContact OE2-CB 3.45Å; E179-S183 PolarHBondContact OE2-OG 3.46Å; S180-S183 PolarHBondContact O-N 2.94Å; S183-D185 PolarHBondContact O-N 2.98Å; S183-A186 PolarHBondContact O-N 3.16Å; S183-F187 WeakPolarHBondContact O-CB 3.44Å; S183-F187 PolarHBondContact O-N 3.02Å
184I45.2Very low44.4Very low54 Ų5492.5 Ų92.528%0.27752%0.518SS..Hα-helixtrans-67-39.2-178.8-61.2174000111.2V22 R181 E182 V188V22-I184 HydrophobicContact CG1-CD1 4.2Å; R181-I184 PolarHBondContact O-N 3.37Å; E182-I184 VanDerWaalsContact C-N 3.32Å; I184-V188 VanDerWaalsContact O-CG2 3.22Å; I184-V188 WeakPolarHBondContact O-CG2 3.25Å; I184-V188 PolarHBondContact O-N 3.39Å; I184-V188 VanDerWaalsContact O-N 3.13Å
185D44.2Very low42.7Very low88 Ų8892.3 Ų92.347%0.47152%0.524SS..Hα-helixtrans-77.3-32.8177.5-77.5-20.2000113R181 E182 S183 V188 T189R181-D185 WeakPolarHBondContact O-CB 3.45Å; R181-D185 PolarHBondContact O-N 3.19Å; E182-D185 PolarHBondContact O-N 3.36Å; S183-D185 PolarHBondContact O-N 2.98Å; D185-V188 WeakPolarHBondContact O-CB 3.17Å; D185-V188 PolarHBondContact O-N 3.12Å; D185-T189 WeakPolarHBondContact O-CB 3.16Å; D185-T189 PolarHBondContact O-N 3.25Å; D185-T189 PolarHBondContact O-OG1 2.9Å
186A46.7Very low41.7Very low61 Ų6197.6 Ų97.650%0.50454%0.535SS..Hα-helixtrans-63.1-43.3170.700000111E182 S183 V188 T189 A190E182-A186 WeakPolarHBondContact O-CB 3.49Å; E182-A186 PolarHBondContact O-N 2.73Å; S183-A186 PolarHBondContact O-N 3.16Å; A186-V188 VanDerWaalsContact C-N 3.34Å; A186-V188 PolarHBondContact O-N 3.16Å; A186-T189 PolarHBondContact O-N 2.96Å; A186-A190 WeakPolarHBondContact O-CB 3.46Å; A186-A190 PolarHBondContact O-N 3.35Å
187F41.4Very low40.6Very low47 Ų4797.2 Ų97.221%0.20654%0.539CS..Hα-helixtrans-63.9-37.4175-168.2-94.8000112.6T160 K163 L164 S183 A190 S191T160-F187 HydrophobicContact CG2-CE1 4.12Å; T160-F187 HydrophobicContact CG2-CZ 4.1Å; K163-F187 HydrophobicContact CB-CZ 4.28Å; K163-F187 HydrophobicContact CD-CE2 3.96Å; K163-F187 HydrophobicContact CD-CZ 4.11Å; L164-F187 HydrophobicContact CD2-CE1 4.38Å; S183-F187 WeakPolarHBondContact O-CB 3.44Å; S183-F187 PolarHBondContact O-N 3.02Å; F187-A190 PolarHBondContact O-N 3.4Å; F187-S191 WeakPolarHBondContact CE1-OG 3.15Å; F187-S191 WeakPolarHBondContact O-CB 3.44Å; F187-S191 PolarHBondContact O-N 2.96Å; F187-S191 PolarHBondContact O-OG 3.28Å
188V42.9Very low39.7Very low51 Ų5198.8 Ų98.831%0.30956%0.56SS.*Hα-helixtrans-62.9-42.2172.1167.20000111.5R29 I184 D185 A186 A190 T192R29-V188 VanDerWaalsContact CZ-CG2 3.46Å; I184-V188 VanDerWaalsContact O-CG2 3.22Å; I184-V188 WeakPolarHBondContact O-CG2 3.25Å; I184-V188 PolarHBondContact O-N 3.39Å; I184-V188 VanDerWaalsContact O-N 3.13Å; D185-V188 WeakPolarHBondContact O-CB 3.17Å; D185-V188 PolarHBondContact O-N 3.12Å; A186-V188 VanDerWaalsContact C-N 3.34Å; A186-V188 PolarHBondContact O-N 3.16Å; V188-A190 VanDerWaalsContact C-N 3.35Å; V188-T192 PolarHBondContact O-N 2.93Å; V188-T192 PolarHBondContact O-OG1 3.24Å
189T46.2Very low39Very low82 Ų8297.8 Ų97.850%0.50356%0.558SS.*Hα-helixtrans-70.2-31.7-178.9-51.20000112.2D185 A186D185-T189 WeakPolarHBondContact O-CB 3.16Å; D185-T189 PolarHBondContact O-N 3.25Å; D185-T189 PolarHBondContact O-OG1 2.9Å; A186-T189 PolarHBondContact O-N 2.96Å
190A40.9Very low38.3Very low85 Ų8598.6 Ų98.670%0.70258%0.576SS**Hα-helixtrans-84.4-26.7177.100000114.2A186 F187 V188A186-A190 WeakPolarHBondContact O-CB 3.46Å; A186-A190 PolarHBondContact O-N 3.35Å; F187-A190 PolarHBondContact O-N 3.4Å; V188-A190 VanDerWaalsContact C-N 3.35Å
191S36.7Very low37.7Very low54 Ų54103.4 Ų103.438%0.37859%0.592SS.*Hα-helixtrans-96.6-2.5-175.3-530000114.2F187F187-S191 WeakPolarHBondContact CE1-OG 3.15Å; F187-S191 WeakPolarHBondContact O-CB 3.44Å; F187-S191 PolarHBondContact O-N 2.96Å; F187-S191 PolarHBondContact O-OG 3.28Å
192T34.2Very low37.1Very low85 Ų85101.8 Ų101.852%0.52160%0.598SS.*SBendtrans-93.7120.9172.4-51.80000108.1V188 R194V188-T192 PolarHBondContact O-N 2.93Å; V188-T192 PolarHBondContact O-OG1 3.24Å; T192-R194 PolarHBondContact O-N 2.93Å
193P33.1Very low36.5Very low112 Ų11298.6 Ų98.673%0.72760%0.604SS**  trans-64.1111.6176.625.3-31000108.6S195P193-S195 PolarHBondContact O-N 3.28Å
194R33.4Very low35.6Very low178 Ų178105.6 Ų105.667%0.67263%0.629SS**  trans-61.3134.8169.3-67.8-176.5177.5-170.6-1.8107.9T192T192-R194 PolarHBondContact O-N 2.93Å
195S31.6Very low35.1Very low88 Ų88110.8 Ų110.862%0.61565%0.652SS**  trans-51.5142.2155.4-1710000107.8P193 D197P193-S195 PolarHBondContact O-N 3.28Å; S195-D197 WeakPolarHBondContact CB-OD2 3.32Å; S195-D197 PolarHBondContact O-N 3.38Å; S195-D197 PolarHBondContact OG-OD2 3Å
196L30.2Very low34.6Very low181 Ų181114.1 Ų114.195%0.94867%0.67SS**SBendtrans-76.761.8-178.7-86.3161.1000110.8
197D28.3Very low33.9Very low132 Ų132120.4 Ų120.471%0.70669%0.686SS**  trans-121.8111175.2-66-67.6000108.9S195S195-D197 WeakPolarHBondContact CB-OD2 3.32Å; S195-D197 PolarHBondContact O-N 3.38Å; S195-D197 PolarHBondContact OG-OD2 3Å
198G26.2Very low33.6Very low78 Ų78123.7 Ų123.780%0.80471%0.712SS**  trans76.376.7165.300000117.2
199V28.3Very low33Very low118 Ų118126.4 Ų126.472%0.71573%0.733SS**  trans-132.795.3148.7-175.20000110.2
200S29.3Very low32.6Very low123 Ų123126.9 Ų126.986%0.8674%0.738SS**  trans-128.4102.6143.2-173.20000107.1
201Q31.3Very low32.2Very low163 Ų163133.3 Ų133.376%0.76275%0.75SS**  trans-116.1141.3165.6-81.2-171-32.500107.8
202N31.3Very low32Very low170 Ų170137.9 Ų137.991%0.90977%0.77SS**  trans110.482.7166-55.1-26.6000115.3
203G32.2Very low32.1Very low77 Ų77140.6 Ų140.679%0.79479%0.786SS**  trans-146.6125.6155.900000107.2
204K34.5Very low32.1Very low191 Ų191145.9 Ų145.983%0.8379%0.791SS**  trans-87.5177.2179.8-68.3176.2176.81760110.5
205E33.8Very low32Very low163 Ų163146.7 Ų146.776%0.76280%0.8SS**  trans85.4108.2160.4-71.4141.5-140.800118.3
206D34.2Very low32.1Very low157 Ų157152.1 Ų152.184%0.8482%0.816SS**  trans81.8121.2131.1-57.3-12.3000124.2
207K32.3Very low31.9Very low194 Ų194152.2 Ų152.284%0.84381%0.811SS**  trans-78.6175.6161.3-64.3175.1176.9173.60109.2
208P35.2Very low32.2Very low115 Ų115151.6 Ų151.675%0.74781%0.814SS**  cis-141.8160.614.134.9-12.3000119
209S29.1Very low32.4Very low108 Ų108157.3 Ų157.376%0.75582%0.817SS**  26.5164.7117.2-127.50000121.6
210P38.5Very low32.4Very low92 Ų92155.9 Ų155.960%0.59782%0.818SS**  cis-136.5-179.7-40.933.9-15.5000113.6
211F33.3Very low32.4Very low220 Ų220158.9 Ų158.997%0.96582%0.815SS**  trans-140.2143.1148.3-104.4-83.6000112.5
212L31.2Very low32.3Very low151 Ų151160.3 Ų160.379%0.79182%0.822SS**  trans-129.5131.8-170.5-78.6166.3000111.7
213T37.2Very low32.2Very low141 Ų141159.8 Ų159.887%0.86581%0.813SS**  trans-179148.3151.435.50000109.9
214R32.2Very low32.1Very low223 Ų223160.9 Ų160.984%0.84281%0.807SS**  cis-165.7116.7-14178.3178.4-174.4172.71.1109.4
215K32.9Very low31.9Very low195 Ų195160.2 Ų160.285%0.84881%0.811SS**  trans31.1115.9156.8-58.1-178.3-179.9-177.20120.4
216Q33.6Very low31.9Very low202 Ų202160.4 Ų160.494%0.94481%0.81SS**  -146.1136.1128.3-86.7-169.916.500110.1
217H25.1Very low31.8Very low184 Ų184161 Ų16185%0.85281%0.807SS**  trans-132.6140.6174.1-113.5-46.9000107.1
218P33.9Very low31.8Very low118 Ų118159.9 Ų159.977%0.76680%0.804SS**  -145.9129.5115.132.1-15000115.8
219K31.8Very low31.7Very low198 Ų198162 Ų16286%0.86180%0.798SS**  trans40.9142.4138.2-61.2178.9179.7176.40122.4
220A28.7Very low32Very low89 Ų89163.9 Ų163.974%0.73680%0.798SS**  trans76.9132.7174.300000115
221F28.3Very low32.2Very low186 Ų186164.1 Ų164.182%0.81679%0.794SS**  cis-121.6137.214.6-84.9-111.1000113.4
222H29.4Very low32.5Very low193 Ų193164 Ų16489%0.89479%0.787SS**  trans-84.1120.6154.4-91.7-62.2000109.3
223H29.5Very low32.8Very low158 Ų158162.5 Ų162.573%0.73177%0.772SS**  trans-113.7134.1156.2-98-9.7000109.9
224P30.6Very low33.3Very low101 Ų101157.7 Ų157.766%0.65674%0.744SS**  trans-74.4158.2-173.731.2-36000111.7K226P224-K226 VanDerWaalsContact C-N 3.34Å; P224-K226 PolarHBondContact O-N 3.39Å
225L29.7Very low33.5Very low177 Ų177153.9 Ų153.993%0.92774%0.739SS**  trans-52.389.1169.5-79.4153.5000111.6Q227L225-Q227 PolarHBondContact O-N 3.4Å
226K34.1Very low33.8Very low167 Ų167149.2 Ų149.273%0.72674%0.737SS**  trans-73.696.6168.1-80.9-176.1178.7172.30108.7P224 H228P224-K226 VanDerWaalsContact C-N 3.34Å; P224-K226 PolarHBondContact O-N 3.39Å; K226-H228 PolarHBondContact O-N 2.9Å
227Q32Very low35.3Very low169 Ų169142.6 Ų142.679%0.7971%0.712SS**  trans-54.797.5163.6-68.5178.2-14.500109.5L225 R229L225-Q227 PolarHBondContact O-N 3.4Å; Q227-R229 PolarHBondContact O-N 2.79Å
228H31.8Very low35.7Very low170 Ų170140.2 Ų140.279%0.78770%0.701SS**  trans-67.698.9168-86.9-80.5000108.3K226 I230K226-H228 PolarHBondContact O-N 2.9Å; H228-I230 PolarHBondContact O-N 3.08Å
229R32.1Very low36.3Very low160 Ų160143.7 Ų143.760%0.60470%0.699SS**  trans-61.197.9179-67.3-179.4177.7179.52.6109.7Q227 N231Q227-R229 PolarHBondContact O-N 2.79Å; R229-N231 PolarHBondContact O-N 3.33Å
230I36.7Very low36.9Very low148 Ų148138.2 Ų138.276%0.75968%0.682SS**  trans-65.4108.7174.8-59.5173.2000108.1H228 R232H228-I230 PolarHBondContact O-N 3.08Å; I230-R232 PolarHBondContact O-N 3.33Å
231N41.6Very low37.4Very low96 Ų96140.8 Ų140.851%0.51368%0.677SS.*  trans-61.697.7170.3-81-39.7000109R229 Y233 T240R229-N231 PolarHBondContact O-N 3.33Å; N231-Y233 PolarHBondContact O-N 2.89Å; N231-Y233 VanDerWaalsContact O-N 3.09Å; N231-T240 HydrophobicContact CB-CG2 3.7Å
232R39.3Very low38.1Very low217 Ų217141.3 Ų141.382%0.81967%0.674SS**  trans-65.8111.9174-79.7-173.4173.2-179.7-1.9109.6I230 C234I230-R232 PolarHBondContact O-N 3.33Å; R232-C234 PolarHBondContact O-N 3.05Å
233Y39.3Very low38.7Very low120 Ų120137.6 Ų137.647%0.47166%0.66SS.*EExtended strand (participates in β ladder)trans-64.4122.8166.8-174.2-104.6000109.1N231 L235 H238N231-Y233 PolarHBondContact O-N 2.89Å; N231-Y233 VanDerWaalsContact O-N 3.09Å; Y233-L235 HydrophobicContact CD1-CD2 4.14Å; Y233-L235 HydrophobicContact CD1-CG 4.29Å; Y233-L235 HydrophobicContact CE1-CD2 4.07Å; Y233-L235 PolarHBondContact O-N 3.04Å; Y233-H238 AromaticContact CZ-ND1 3.81Å; Y233-H238 PolarHBondContact OH-ND1 3.32Å
234C47.3Very low39.1Very low41 Ų41137.5 Ų137.528%0.27766%0.66SS.*EExtended strand (participates in β ladder)trans-8799.2178.4-1730000109.7R232 A236 C237 H238 R239R232-C234 PolarHBondContact O-N 3.05Å; C234-A236 PolarHBondContact O-N 2.75Å; C234-C237 VanDerWaalsContact CB-SG 3.58Å; C234-C237 PolarHBondContact O-N 2.98Å; C234-H238 PolarHBondContact O-N 3.41Å; C234-R239 PolarHBondContact N-O 3.32Å
235L36.8Very low39.5Very low143 Ų143138.3 Ų138.375%0.74966%0.658SS**THydrogen-bonded Turntrans-54.9-23.9178.2-77.4164.7000113.8Y233Y233-L235 HydrophobicContact CD1-CD2 4.14Å; Y233-L235 HydrophobicContact CD1-CG 4.29Å; Y233-L235 HydrophobicContact CE1-CD2 4.07Å; Y233-L235 PolarHBondContact O-N 3.04Å
236A38Very low39.9Very low96 Ų96137 Ų13779%0.79365%0.652SS**THydrogen-bonded Turntrans-81.1-14.2178.200000114.6C234C234-A236 PolarHBondContact O-N 2.75Å
237C64.5Low39.9Very low64 Ų64140.5 Ų140.543%0.43266%0.66SS.*THydrogen-bonded Turntrans-14210.5-179.1690000115.1C234 R239C234-C237 VanDerWaalsContact CB-SG 3.58Å; C234-C237 PolarHBondContact O-N 2.98Å; C237-R239 WeakPolarHBondContact O-CG 3.33Å; C237-R239 PolarHBondContact O-N 3.09Å
238H34.5Very low40.1Very low134 Ų134138.3 Ų138.362%0.6266%0.659SS**THydrogen-bonded Turntrans50.817.1179.8-64.8-81.6000115.9Y233 C234Y233-H238 AromaticContact CZ-ND1 3.81Å; Y233-H238 PolarHBondContact OH-ND1 3.32Å; C234-H238 PolarHBondContact O-N 3.41Å
239R45.7Very low40.2Very low190 Ų190136.3 Ų136.372%0.71766%0.661SS**EExtended strand (participates in β ladder)trans-108.4137.8-177.8-74177.9-177.6-166.20.6112.1C234 C237 K241C234-R239 PolarHBondContact N-O 3.32Å; C237-R239 WeakPolarHBondContact O-CG 3.33Å; C237-R239 PolarHBondContact O-N 3.09Å; R239-K241 PolarHBondContact O-N 3.04Å
240T44.6Very low40.5Very low84 Ų84138.1 Ų138.152%0.51567%0.673SS.*EExtended strand (participates in β ladder)trans-78.1105.9172.7-34.20000109.6N231 R242N231-T240 HydrophobicContact CB-CG2 3.7Å; T240-R242 PolarHBondContact O-N 3.01Å; T240-R242 VanDerWaalsContact O-N 3.12Å
241K40.4Very low40.3Very low143 Ų143142.3 Ų142.362%0.62268%0.679SS**  trans-72105.7174.4-85.3-172175.1-179.50110.2R239 N243R239-K241 PolarHBondContact O-N 3.04Å; K241-N243 PolarHBondContact O-N 3.22Å
242R43.1Very low39.9Very low197 Ų197149.2 Ų149.274%0.74370%0.698SS**  trans-69.1111.6163.1-75.8-175.9177.3170.5-0.1109T240 H244T240-R242 PolarHBondContact O-N 3.01Å; T240-R242 VanDerWaalsContact O-N 3.12Å; R242-H244 VanDerWaalsContact C-N 3.32Å; R242-H244 PolarHBondContact O-N 3.22Å
243N40.1Very low39.6Very low115 Ų115149.9 Ų149.962%0.61570%0.701SS**  trans-72.786.1171.5-76.8-13.6000110.5K241 L245K241-N243 PolarHBondContact O-N 3.22Å; N243-L245 PolarHBondContact O-N 2.92Å
244H38.2Very low39.4Very low156 Ų156150.2 Ų150.272%0.72272%0.718SS**  trans-78.693.6164.3-72.8-75.8000109.5R242R242-H244 VanDerWaalsContact C-N 3.32Å; R242-H244 PolarHBondContact O-N 3.22Å
245L39.4Very low38.9Very low118 Ų118154.8 Ų154.862%0.61874%0.744SS**  trans-63.3131.9162-87.4135.9000109.5N243N243-L245 PolarHBondContact O-N 2.92Å
246N37.5Very low38.9Very low148 Ų148156.6 Ų156.679%0.79175%0.746SS**SBendtrans56.569.6161.6-57.4-5.9000117.2
247R35.1Very low38.6Very low241 Ų241158 Ų15891%0.90975%0.747SS**  trans-142.4128.2144.8-104.9177.6-174.3-176.31.3110.6
248T35.7Very low37.2Very low124 Ų124162.2 Ų162.276%0.76176%0.764SS**  trans-66138.8-178.838.40000111.7K250T248-K250 PolarHBondContact O-N 3.01Å
249P34.3Very low37.2Very low128 Ų128165.9 Ų165.983%0.83177%0.774SS**  trans-76.695.5-179.430.1-33.6000111R251P249-R251 PolarHBondContact O-N 3.31Å
250K37.9Very low36.7Very low197 Ų197162 Ų16286%0.85778%0.776SS**  trans-68.5124.2166.7-75.8-171.6175.5-1770109.6T248T248-K250 PolarHBondContact O-N 3.01Å
251R33.7Very low36Very low236 Ų236166 Ų16689%0.89179%0.791SS**  trans-60.5166.2177.4-73.2178.6166.3-169.9-3.9112.8P249P249-R251 PolarHBondContact O-N 3.31Å
252R32.4Very low35.8Very low241 Ų241164 Ų16491%0.90979%0.793SS**  trans87.8131174.6-50.6170.4-172.6-129.11.9112.3
253R32.2Very low35.4Very low231 Ų231161.8 Ų161.887%0.87280%0.801SS**  cis-125.5159.715.2-65.3179.3176.7-161.1-2.2111.9V255R253-V255 PolarHBondContact O-N 3.17Å
254P36.8Very low35.4Very low127 Ų127161.8 Ų161.883%0.82581%0.805SS**PPolyproline II helixtrans-66.9125.6170.828.7-33.8000110.3
255V36.7Very low35.2Very low137 Ų137165.5 Ų165.583%0.8381%0.813SS**PPolyproline II helixtrans-76.7125.9165.6-179.10000106.9R253R253-V255 PolarHBondContact O-N 3.17Å
256K35.6Very low35.1Very low181 Ų181164.4 Ų164.479%0.78781%0.813SS**PPolyproline II helixtrans-55.3139.6177.5-71.3177.8174.3-179.80109.7L258K256-L258 PolarHBondContact O-N 3.46Å
257P33.3Very low35.3Very low126 Ų126160.9 Ų160.982%0.81880%0.804SS**  trans-65.5111.5172.127.5-32.3000108.9Y259P257-Y259 PolarHBondContact O-N 3.41Å
258L35Very low35.8Very low152 Ų152158.2 Ų158.280%0.79680%0.799SS**SBendtrans-73.2111.3168.7-78.6166000108K256K256-L258 PolarHBondContact O-N 3.46Å
259Y34.5Very low36.4Very low211 Ų211158.5 Ų158.583%0.82780%0.796SS**  trans62.1102.8175.8-72-90000117.1P257 M261P257-Y259 PolarHBondContact O-N 3.41Å; Y259-M261 PolarHBondContact O-N 3.32Å
260S35.2Very low37.1Very low109 Ų109154.5 Ų154.576%0.76277%0.774SS**  trans-58110.614949.80000109.5
261M30.1Very low37.5Very low167 Ų167153.9 Ų153.982%0.82377%0.766SS**  trans-56.6129.4168.1-84.8-74.9179.900109.6Y259 T263Y259-M261 PolarHBondContact O-N 3.32Å; M261-T263 PolarHBondContact O-N 3.02Å
262P34.6Very low38.3Very low101 Ų101147.8 Ų147.866%0.65675%0.751SS**  trans-56.2130.5168.7-22.933.6000109.7V264P262-V264 PolarHBondContact O-N 2.75Å
263T36.2Very low39.3Very low151 Ų151141.5 Ų141.593%0.92674%0.736SS**SBendtrans-71.44.5-18039.90000113.8M261M261-T263 PolarHBondContact O-N 3.02Å
264V38.6Very low40.7Very low115 Ų115134.6 Ų134.670%0.69772%0.719SS**SBendtrans-92114.6173.9-173.40000108.6P262 P266P262-V264 PolarHBondContact O-N 2.75Å; V264-P266 WeakPolarHBondContact O-CD 3.46Å
265R33.6Very low41.9Very low235 Ų235133.6 Ų133.689%0.88771%0.706SS**PPolyproline II helixtrans-56.3123174.4-74.8179.6175.3171.4-0.8109.6
266P38.2Very low43Very low95 Ų95131.3 Ų131.362%0.61769%0.689SS**PPolyproline II helixtrans-58.1143.2167.5-21.633.1000109.9V264 A270V264-P266 WeakPolarHBondContact O-CD 3.46Å; P266-A270 HydrophobicContact CB-CB 4.28Å
267A41.7Very low44.4Very low73 Ų73126.2 Ų126.260%0.60368%0.676SS**PPolyproline II helixtrans-54.9147.6168.100000109.6D269 A270A267-D269 PolarHBondContact O-N 3.47Å; A267-A270 PolarHBondContact O-N 3.12Å; A267-A270 VanDerWaalsContact O-N 3.13Å
268K46.3Very low46Very low186 Ų186124.4 Ų124.481%0.80966%0.659SS**THydrogen-bonded Turntrans-50.8-35.6-168.9-79.5-178.9174.6177.50113.3R271K268-R271 VanDerWaalsContact O-CB 3.29Å; K268-R271 WeakPolarHBondContact O-CB 3.5Å; K268-R271 PolarHBondContact O-N 2.88Å
269D47.7Very low47.3Very low129 Ų129122.4 Ų122.469%0.6964%0.642SS**THydrogen-bonded Turntrans-68.3-41.5-173.6-48.3-32.8000112A267 R271 N272A267-D269 PolarHBondContact O-N 3.47Å; D269-R271 PolarHBondContact O-N 2.88Å; D269-R271 VanDerWaalsContact O-N 3.09Å; D269-N272 PolarHBondContact O-N 3.41Å
270A48.9Very low48.6Very low45 Ų45115.4 Ų115.437%0.37262%0.618SS.*Hα-helixtrans-66.5-13.6177.500000113.7P266 A267 V274P266-A270 HydrophobicContact CB-CB 4.28Å; A267-A270 PolarHBondContact O-N 3.12Å; A267-A270 VanDerWaalsContact O-N 3.13Å; A270-V274 WeakPolarHBondContact O-CG2 3.49Å; A270-V274 PolarHBondContact O-N 3.43Å
271R45.4Very low50.3Low184 Ų184113.3 Ų113.369%0.69460%0.604SS**Hα-helixtrans-75.5-30.7-179.3-153.1178.9-166.2-168.53112.2K268 D269 L275K268-R271 VanDerWaalsContact O-CB 3.29Å; K268-R271 WeakPolarHBondContact O-CB 3.5Å; K268-R271 PolarHBondContact O-N 2.88Å; D269-R271 PolarHBondContact O-N 2.88Å; D269-R271 VanDerWaalsContact O-N 3.09Å; R271-L275 WeakPolarHBondContact O-CD1 3.39Å; R271-L275 VanDerWaalsContact O-CG 3.27Å; R271-L275 WeakPolarHBondContact O-CG 3.47Å; R271-L275 PolarHBondContact O-N 3.48Å
272N50.6Low52.2Low108 Ų108110.7 Ų110.758%0.57859%0.593SS**Hα-helixtrans-75.7-41.6178.6-71.7-9.7000111.1D269 V274 L275 L276D269-N272 PolarHBondContact O-N 3.41Å; N272-V274 VanDerWaalsContact C-N 3.34Å; N272-V274 PolarHBondContact O-N 2.92Å; N272-L275 PolarHBondContact O-N 2.75Å; N272-L275 VanDerWaalsContact O-N 3.17Å; N272-L276 WeakPolarHBondContact O-CB 3.41Å; N272-L276 PolarHBondContact O-N 2.97Å
273D55.3Low53.7Low109 Ų109108.3 Ų108.358%0.58357%0.573SS**Hα-helixtrans-61.3-42.1179-61-19.5000111.9L276 S277D273-L276 PolarHBondContact O-N 3.35Å; D273-S277 VanDerWaalsContact O-CB 3.27Å; D273-S277 WeakPolarHBondContact O-CB 3.46Å; D273-S277 PolarHBondContact O-N 2.97Å
274V59.7Low55.1Low85 Ų85105.8 Ų105.852%0.51555%0.547SS..Hα-helixtrans-66.1-39.3175.6174.10000111.7A270 N272 N278A270-V274 WeakPolarHBondContact O-CG2 3.49Å; A270-V274 PolarHBondContact O-N 3.43Å; N272-V274 VanDerWaalsContact C-N 3.34Å; N272-V274 PolarHBondContact O-N 2.92Å; V274-N278 WeakPolarHBondContact O-CB 3.49Å; V274-N278 PolarHBondContact O-N 3.44Å; V274-N278 PolarHBondContact O-ND2 3.06Å
275L61.9Low56.7Low107 Ų107105 Ų10556%0.5654%0.539SS*.Hα-helixtrans-68-39.8176.3-74.3170.4000112.1R271 N272 Y279R271-L275 WeakPolarHBondContact O-CD1 3.39Å; R271-L275 VanDerWaalsContact O-CG 3.27Å; R271-L275 WeakPolarHBondContact O-CG 3.47Å; R271-L275 PolarHBondContact O-N 3.48Å; N272-L275 PolarHBondContact O-N 2.75Å; N272-L275 VanDerWaalsContact O-N 3.17Å; L275-Y279 WeakPolarHBondContact O-CB 3.44Å; L275-Y279 PolarHBondContact O-N 3.44Å
276L60.9Low58.9Low89 Ų8999 Ų9947%0.46652%0.517SS..Hα-helixtrans-67.7-42.8177.1-168.971000111.3N272 D273 Y279 L280N272-L276 WeakPolarHBondContact O-CB 3.41Å; N272-L276 PolarHBondContact O-N 2.97Å; D273-L276 PolarHBondContact O-N 3.35Å; L276-Y279 PolarHBondContact O-N 3.34Å; L276-L280 HydrophobicContact CG-CD1 4.25Å; L276-L280 WeakPolarHBondContact O-CB 3.29Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.35Å; L276-L280 PolarHBondContact O-N 3.05Å
277S64.2Low60.2Low74 Ų7495.6 Ų95.652%0.51749%0.493SS..Hα-helixtrans-58.4-47.5174.3-177.70000111.8D273 L280 S281D273-S277 VanDerWaalsContact O-CB 3.27Å; D273-S277 WeakPolarHBondContact O-CB 3.46Å; D273-S277 PolarHBondContact O-N 2.97Å; S277-L280 PolarHBondContact O-N 2.9Å; S277-S281 PolarHBondContact O-N 3.06Å
278N67.4Low61.6Low87 Ų8795 Ų9547%0.46548%0.482SS..Hα-helixtrans-62.8-44.5176-68.5-16000111.9V274 L280 S281 D282V274-N278 WeakPolarHBondContact O-CB 3.49Å; V274-N278 PolarHBondContact O-N 3.44Å; V274-N278 PolarHBondContact O-ND2 3.06Å; N278-L280 PolarHBondContact O-N 3.05Å; N278-S281 PolarHBondContact O-N 3.44Å; N278-D282 WeakPolarHBondContact O-CB 3.4Å; N278-D282 PolarHBondContact O-N 3.14Å
279Y63.2Low63.1Low111 Ų11188.3 Ų88.344%0.43546%0.461SS..Hα-helixtrans-62.4-41.8178.4178.6-98.7000112.6L275 L276 S281 D282 E283L275-Y279 WeakPolarHBondContact O-CB 3.44Å; L275-Y279 PolarHBondContact O-N 3.44Å; L276-Y279 PolarHBondContact O-N 3.34Å; Y279-S281 VanDerWaalsContact C-N 3.34Å; Y279-D282 PolarHBondContact O-N 3.39Å; Y279-E283 HydrophobicContact CE1-CG 3.95Å; Y279-E283 HydrophobicContact CE2-CG 3.96Å; Y279-E283 PolarHBondContact O-N 2.99Å; Y279-E283 PolarHBondContact OH-OE1 2.84Å; Y279-E283 VanDerWaalsContact OH-OE1 3.09Å
280L62Low64.3Low63 Ų6385.5 Ų85.533%0.3344%0.444SS..Hα-helixtrans-64.1-38.8175.5-72.2171.3000111.6L276 S277 N278 Y284 L370L276-L280 HydrophobicContact CG-CD1 4.25Å; L276-L280 WeakPolarHBondContact O-CB 3.29Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.35Å; L276-L280 PolarHBondContact O-N 3.05Å; S277-L280 PolarHBondContact O-N 2.9Å; N278-L280 PolarHBondContact O-N 3.05Å; L280-Y284 VanDerWaalsContact O-CB 3.29Å; L280-Y284 WeakPolarHBondContact O-CB 3.4Å; L280-Y284 PolarHBondContact O-N 3Å; L280-L370 HydrophobicContact CD1-CD1 4.03Å
281S69.2Low65.2Low65 Ų6585.1 Ų85.146%0.45544%0.436SS..Hα-helixtrans-68-44.5175.8-155.10000112S277 N278 Y279 Y284 D285S277-S281 PolarHBondContact O-N 3.06Å; N278-S281 PolarHBondContact O-N 3.44Å; Y279-S281 VanDerWaalsContact C-N 3.34Å; S281-Y284 PolarHBondContact O-N 3.45Å; S281-D285 PolarHBondContact O-N 2.97Å
282D71.3Confident66.7Low112 Ų11279.1 Ų79.160%0.59943%0.425SS*.Hα-helixtrans-63.8-40.6178.7-77.6-18.8000112.1N278 Y279 R286N278-D282 WeakPolarHBondContact O-CB 3.4Å; N278-D282 PolarHBondContact O-N 3.14Å; Y279-D282 PolarHBondContact O-N 3.39Å; D282-R286 WeakPolarHBondContact O-CB 3.27Å; D282-R286 PolarHBondContact O-N 2.99Å
283E65.8Low68Low51 Ų5179.8 Ų79.824%0.23842%0.423CS..Hα-helixtrans-69.6-37.5174.1-77.7-70.5173.900112.3Y279 R286 L287Y279-E283 HydrophobicContact CE1-CG 3.95Å; Y279-E283 HydrophobicContact CE2-CG 3.96Å; Y279-E283 PolarHBondContact O-N 2.99Å; Y279-E283 PolarHBondContact OH-OE1 2.84Å; Y279-E283 VanDerWaalsContact OH-OE1 3.09Å; E283-R286 PolarHBondContact O-N 3.28Å; E283-R286 IonicContact OE1-NE 2.75Å; E283-R286 IonicContact OE1-NH2 3.71Å; E283-R286 IonicContact OE2-CZ 2.68Å; E283-R286 IonicContact OE2-NE 3.55Å; E283-R286 PolarHBondContact OE2-NE 2.71Å; E283-R286 IonicContact OE2-NH2 3.21Å; E283-R286 PolarHBondContact OE2-NH2 2.61Å; E283-L287 WeakPolarHBondContact O-CB 3.46Å; E283-L287 VanDerWaalsContact O-CG 3.26Å; E283-L287 WeakPolarHBondContact O-CG 3.39Å; E283-L287 PolarHBondContact O-N 3.16Å
284Y65.3Low68.5Low98 Ų9877 Ų7738%0.38441%0.408SS..Hα-helixtrans-61.7-46.1174.8-171.8-86.6000111.3L280 S281 L287 T288 Y360L280-Y284 VanDerWaalsContact O-CB 3.29Å; L280-Y284 WeakPolarHBondContact O-CB 3.4Å; L280-Y284 PolarHBondContact O-N 3Å; S281-Y284 PolarHBondContact O-N 3.45Å; Y284-L287 PolarHBondContact O-N 2.85Å; Y284-T288 WeakPolarHBondContact O-CB 3.32Å; Y284-T288 PolarHBondContact O-N 3.26Å; Y284-T288 PolarHBondContact O-OG1 3.38Å; Y284-Y360 HydrophobicContact CD2-CD1 4.46Å; Y284-Y360 HydrophobicContact CD2-CE1 4.16Å; Y284-Y360 AromaticContact CE2-CD1 3.95Å; Y284-Y360 HydrophobicContact CE2-CD1 3.95Å; Y284-Y360 AromaticContact CE2-CE1 3.84Å; Y284-Y360 HydrophobicContact CE2-CE1 3.84Å
285D73Confident69.1Low99 Ų9978.5 Ų78.553%0.52941%0.412SS..Hα-helixtrans-65-40.2176.4-76.5-9.9000111.7S281 T288 A289S281-D285 PolarHBondContact O-N 2.97Å; D285-T288 PolarHBondContact O-N 3.08Å; D285-A289 WeakPolarHBondContact O-CB 3.4Å; D285-A289 PolarHBondContact O-N 3.45Å
286R78.1Confident69.7Low109 Ų10979.5 Ų79.541%0.41141%0.414SS..Hα-helixtrans-62-49.7175.8-172.8-176.771.981.21111.7D282 E283 T288 A289 E290D282-R286 WeakPolarHBondContact O-CB 3.27Å; D282-R286 PolarHBondContact O-N 2.99Å; E283-R286 PolarHBondContact O-N 3.28Å; E283-R286 IonicContact OE1-NE 2.75Å; E283-R286 IonicContact OE1-NH2 3.71Å; E283-R286 IonicContact OE2-CZ 2.68Å; E283-R286 IonicContact OE2-NE 3.55Å; E283-R286 PolarHBondContact OE2-NE 2.71Å; E283-R286 IonicContact OE2-NH2 3.21Å; E283-R286 PolarHBondContact OE2-NH2 2.61Å; R286-T288 VanDerWaalsContact C-N 3.25Å; R286-T288 PolarHBondContact O-N 3.05Å; R286-A289 PolarHBondContact O-N 2.98Å; R286-E290 IonicContact CZ-OE1 3.74Å; R286-E290 IonicContact CZ-OE2 3.53Å; R286-E290 IonicContact NH1-OE1 2.73Å; R286-E290 PolarHBondContact NH1-OE1 2.93Å; R286-E290 IonicContact NH1-OE2 3.19Å; R286-E290 PolarHBondContact NH1-OE2 2.87Å; R286-E290 PolarHBondContact O-N 3.11Å
287L66.9Low70.2Confident24 Ų2481.3 Ų81.313%0.12642%0.418CS..Hα-helixtrans-61.9-35.8177.5-72.4169.9000111.2E283 Y284 E290 N291 Y360 L363E283-L287 WeakPolarHBondContact O-CB 3.46Å; E283-L287 VanDerWaalsContact O-CG 3.26Å; E283-L287 WeakPolarHBondContact O-CG 3.39Å; E283-L287 PolarHBondContact O-N 3.16Å; Y284-L287 PolarHBondContact O-N 2.85Å; L287-E290 PolarHBondContact O-N 3.4Å; L287-N291 WeakPolarHBondContact O-CB 3.34Å; L287-N291 PolarHBondContact O-N 3.23Å; L287-Y360 HydrophobicContact CB-CE2 4.37Å; L287-Y360 WeakPolarHBondContact CB-OH 3.35Å; L287-Y360 PolarHBondContact O-OH 3.46Å; L287-L363 HydrophobicContact CD1-CD1 3.89Å
288T71Confident70.1Confident61 Ų6178.7 Ų78.737%0.37440%0.399SS..Hα-helixtrans-68-42.3178.9-59.60000110.6Y284 D285 R286 E290 N291 A292 Y360Y284-T288 WeakPolarHBondContact O-CB 3.32Å; Y284-T288 PolarHBondContact O-N 3.26Å; Y284-T288 PolarHBondContact O-OG1 3.38Å; D285-T288 PolarHBondContact O-N 3.08Å; R286-T288 VanDerWaalsContact C-N 3.25Å; R286-T288 PolarHBondContact O-N 3.05Å; T288-E290 VanDerWaalsContact C-N 3.34Å; T288-E290 PolarHBondContact O-N 3.26Å; T288-N291 PolarHBondContact O-N 3.48Å; T288-A292 PolarHBondContact O-N 3.45Å; T288-Y360 WeakPolarHBondContact CA-OH 3.29Å; T288-Y360 PolarHBondContact N-OH 2.96Å; T288-Y360 PolarHBondContact OG1-OH 3.38Å
289A76.9Confident70.5Confident44 Ų4476.8 Ų76.836%0.36439%0.393SS..Hα-helixtrans-69.9-25.6174.700000113.9D285 R286 K293D285-A289 WeakPolarHBondContact O-CB 3.4Å; D285-A289 PolarHBondContact O-N 3.45Å; R286-A289 PolarHBondContact O-N 2.98Å; A289-K293 WeakPolarHBondContact O-CD 3.45Å; A289-K293 WeakPolarHBondContact O-CE 3.49Å; A289-K293 WeakPolarHBondContact O-CG 3.33Å
290E72.9Confident70.9Confident70 Ų7077.1 Ų77.133%0.32740%0.4SS..Hα-helixtrans-76-43.6172-77.9172.9-167.200111.5R286 L287 T288 A292 K293 L294R286-E290 IonicContact CZ-OE1 3.74Å; R286-E290 IonicContact CZ-OE2 3.53Å; R286-E290 IonicContact NH1-OE1 2.73Å; R286-E290 PolarHBondContact NH1-OE1 2.93Å; R286-E290 IonicContact NH1-OE2 3.19Å; R286-E290 PolarHBondContact NH1-OE2 2.87Å; R286-E290 PolarHBondContact O-N 3.11Å; L287-E290 PolarHBondContact O-N 3.4Å; T288-E290 VanDerWaalsContact C-N 3.34Å; T288-E290 PolarHBondContact O-N 3.26Å; E290-A292 PolarHBondContact O-N 3.02Å; E290-K293 PolarHBondContact O-N 2.88Å; E290-L294 WeakPolarHBondContact O-CG 3.44Å; E290-L294 PolarHBondContact O-N 3.37Å; E290-L294 VanDerWaalsContact O-N 3.08Å
291N69.2Low71.1Confident38 Ų3877.3 Ų77.320%0.20340%0.401CS..Hα-helixtrans-57.9-44.5172.8-102.3-2.1000112.1L287 T288 K293 L294 I295 Y360L287-N291 WeakPolarHBondContact O-CB 3.34Å; L287-N291 PolarHBondContact O-N 3.23Å; T288-N291 PolarHBondContact O-N 3.48Å; N291-K293 VanDerWaalsContact C-N 3.33Å; N291-K293 PolarHBondContact O-N 3.3Å; N291-L294 WeakPolarHBondContact O-CB 3.3Å; N291-L294 PolarHBondContact O-N 3.3Å; N291-L294 VanDerWaalsContact O-N 3.11Å; N291-I295 WeakPolarHBondContact O-CG1 3.49Å; N291-I295 PolarHBondContact O-N 2.9Å; N291-Y360 VanDerWaalsContact ND2-CE2 3.28Å; N291-Y360 WeakPolarHBondContact ND2-CE2 3.45Å
292A75.5Confident71.1Confident57 Ų5779.7 Ų79.747%0.47141%0.405SS..Hα-helixtrans-57.8-42.7178.200000112.7T288 E290 L294 I295 E296T288-A292 PolarHBondContact O-N 3.45Å; E290-A292 PolarHBondContact O-N 3.02Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 3.42Å; A292-I295 PolarHBondContact O-N 2.89Å; A292-E296 PolarHBondContact O-N 3.43Å
293K78.4Confident71.4Confident122 Ų12280.4 Ų80.453%0.5340%0.402SS..Hα-helixtrans-69.5-29.9176.9-67164.9-169.81570113A289 E290 N291 K297A289-K293 WeakPolarHBondContact O-CD 3.45Å; A289-K293 WeakPolarHBondContact O-CE 3.49Å; A289-K293 WeakPolarHBondContact O-CG 3.33Å; E290-K293 PolarHBondContact O-N 2.88Å; N291-K293 VanDerWaalsContact C-N 3.33Å; N291-K293 PolarHBondContact O-N 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.41Å; K293-K297 PolarHBondContact O-N 2.94Å
294L65.9Low71.6Confident52 Ų5286 Ų8627%0.27242%0.422SS..Hα-helixtrans-71.6-42.7175.5-76.5169.8000110.9E290 N291 A292 K297 C298 F349E290-L294 WeakPolarHBondContact O-CG 3.44Å; E290-L294 PolarHBondContact O-N 3.37Å; E290-L294 VanDerWaalsContact O-N 3.08Å; N291-L294 WeakPolarHBondContact O-CB 3.3Å; N291-L294 PolarHBondContact O-N 3.3Å; N291-L294 VanDerWaalsContact O-N 3.11Å; A292-L294 VanDerWaalsContact C-N 3.34Å; A292-L294 PolarHBondContact O-N 3.42Å; L294-K297 PolarHBondContact O-N 3.42Å; L294-C298 PolarHBondContact O-N 2.9Å; L294-F349 HydrophobicContact CB-CE2 3.98Å; L294-F349 HydrophobicContact CB-CZ 4.36Å; L294-F349 HydrophobicContact CD2-CE2 4.13Å
295I71.6Confident71.5Confident116 Ų11683.1 Ų83.160%0.59541%0.412SS*.Hα-helixtrans-60.6-45.9173.7-66.9164.4000111N291 A292 K297 C298 S299N291-I295 WeakPolarHBondContact O-CG1 3.49Å; N291-I295 PolarHBondContact O-N 2.9Å; A292-I295 PolarHBondContact O-N 2.89Å; I295-K297 VanDerWaalsContact C-N 3.34Å; I295-K297 PolarHBondContact O-N 3.3Å; I295-C298 PolarHBondContact O-N 2.95Å; I295-C298 VanDerWaalsContact O-N 3.15Å; I295-S299 PolarHBondContact O-N 3Å
296E75.6Confident71.6Confident127 Ų12783.9 Ų83.959%0.59341%0.413SS*.Hα-helixtrans-59.2-42.7176.8-174.5-179.4-161.100112.2A292 C298 S299 M300A292-E296 PolarHBondContact O-N 3.43Å; E296-C298 PolarHBondContact O-N 2.84Å; E296-S299 PolarHBondContact O-N 3.05Å; E296-M300 PolarHBondContact O-N 3.32Å; E296-M300 VanDerWaalsContact O-N 3.11Å
297K72Confident71.2Confident128 Ų12882.4 Ų82.456%0.55742%0.416SS*.Hα-helixtrans-63.2-38.5174.6-79178.3177.7-178.40112.9K293 L294 I295 M300 L301K293-K297 WeakPolarHBondContact O-CG 3.41Å; K293-K297 PolarHBondContact O-N 2.94Å; L294-K297 PolarHBondContact O-N 3.42Å; I295-K297 VanDerWaalsContact C-N 3.34Å; I295-K297 PolarHBondContact O-N 3.3Å; K297-M300 HydrophobicContact CG-CE 4.4Å; K297-M300 PolarHBondContact O-N 2.85Å; K297-L301 WeakPolarHBondContact O-CG 3.35Å; K297-L301 PolarHBondContact O-N 3.2Å
298C61.5Low70.9Confident19 Ų1984 Ų8413%0.12842%0.424CS..Hα-helixtrans-66.8-44.9176-88.10000112.3L294 I295 E296 M300 L301 E302 F349L294-C298 PolarHBondContact O-N 2.9Å; I295-C298 PolarHBondContact O-N 2.95Å; I295-C298 VanDerWaalsContact O-N 3.15Å; E296-C298 PolarHBondContact O-N 2.84Å; C298-M300 PolarHBondContact O-N 2.65Å; C298-L301 CarbonylContact O-C 3.58Å; C298-L301 PolarHBondContact O-N 2.87Å; C298-E302 WeakPolarHBondContact O-CB 3.48Å; C298-E302 WeakPolarHBondContact O-CG 3.37Å; C298-E302 PolarHBondContact O-N 3.29Å; C298-F349 HydrophobicContact CB-CE1 4.34Å; C298-F349 HydrophobicContact CB-CZ 4.2Å; C298-F349 WeakPolarHBondContact SG-CD1 3.41Å; C298-F349 VanDerWaalsContact SG-CD2 3.54Å; C298-F349 WeakPolarHBondContact SG-CE1 3.29Å; C298-F349 WeakPolarHBondContact SG-CE2 3.47Å; C298-F349 VanDerWaalsContact SG-CG 3.57Å; C298-F349 WeakPolarHBondContact SG-CZ 3.47Å
299S74.5Confident70.6Confident47 Ų4784.7 Ų84.733%0.32942%0.423SS..Hα-helixtrans-59.3-33.1174.8-171.10000112.6I295 E296 E302 K303I295-S299 PolarHBondContact O-N 3Å; E296-S299 PolarHBondContact O-N 3.05Å; S299-E302 WeakPolarHBondContact CA-OE2 3.37Å; S299-K303 WeakPolarHBondContact O-CB 3.3Å; S299-K303 VanDerWaalsContact O-CG 3.29Å; S299-K303 WeakPolarHBondContact O-CG 3.42Å; S299-K303 PolarHBondContact O-N 3.13Å; S299-K303 VanDerWaalsContact O-N 3.15Å
300M72.7Confident70.4Confident118 Ų11886.1 Ų86.158%0.58143%0.425SS*.Hα-helixtrans-70.9-35.2171.6-71.9-163.2-65.600113.9E296 K297 C298 R304E296-M300 PolarHBondContact O-N 3.32Å; E296-M300 VanDerWaalsContact O-N 3.11Å; K297-M300 HydrophobicContact CG-CE 4.4Å; K297-M300 PolarHBondContact O-N 2.85Å; C298-M300 PolarHBondContact O-N 2.65Å; M300-R304 WeakPolarHBondContact O-CB 3.49Å; M300-R304 PolarHBondContact O-N 2.75Å; M300-R304 VanDerWaalsContact O-N 3.14Å
301L65.3Low69.7Low67 Ų6785.8 Ų85.835%0.35143%0.425SS..Hα-helixtrans-74.5-38.7177-73.1172000112K297 C298 R304 N305 L345K297-L301 WeakPolarHBondContact O-CG 3.35Å; K297-L301 PolarHBondContact O-N 3.2Å; C298-L301 CarbonylContact O-C 3.58Å; C298-L301 PolarHBondContact O-N 2.87Å; L301-R304 PolarHBondContact O-N 3.33Å; L301-N305 WeakPolarHBondContact O-CB 3.3Å; L301-N305 PolarHBondContact O-N 3.06Å; L301-L345 HydrophobicContact CD1-CD2 4.23Å
302E70.5Confident69.1Low115 Ų11587.3 Ų87.354%0.53744%0.436SS..Hα-helixtrans-58.9-53.7173-72.8162.717600110.3C298 S299 R304 N305 E306C298-E302 WeakPolarHBondContact O-CB 3.48Å; C298-E302 WeakPolarHBondContact O-CG 3.37Å; C298-E302 PolarHBondContact O-N 3.29Å; S299-E302 WeakPolarHBondContact CA-OE2 3.37Å; E302-R304 VanDerWaalsContact C-N 3.27Å; E302-R304 PolarHBondContact O-N 3.37Å; E302-N305 CarbonylContact O-C 3.56Å; E302-N305 WeakPolarHBondContact O-CA 3.27Å; E302-N305 WeakPolarHBondContact O-CB 3.42Å; E302-N305 PolarHBondContact O-N 3.49Å; E302-E306 PolarHBondContact O-N 2.94Å
303K76.9Confident68.5Low126 Ų12692.9 Ų92.955%0.54845%0.445SS..Hα-helixtrans-58.2-36.8175.3-73.7175.5-178.3-179.50113.4S299 N305 T307S299-K303 WeakPolarHBondContact O-CB 3.3Å; S299-K303 VanDerWaalsContact O-CG 3.29Å; S299-K303 WeakPolarHBondContact O-CG 3.42Å; S299-K303 PolarHBondContact O-N 3.13Å; S299-K303 VanDerWaalsContact O-N 3.15Å; K303-N305 VanDerWaalsContact C-N 3.33Å; K303-T307 WeakPolarHBondContact O-CB 3.46Å; K303-T307 PolarHBondContact O-N 3.03Å; K303-T307 PolarHBondContact O-OG1 3.27Å
304R69.2Low67.7Low170 Ų17093 Ų9364%0.64245%0.451SS*.Hα-helixtrans-69.9-32.2175.2-174.8173.1179.6143.92.6111.8M300 L301 E302 L308M300-R304 WeakPolarHBondContact O-CB 3.49Å; M300-R304 PolarHBondContact O-N 2.75Å; M300-R304 VanDerWaalsContact O-N 3.14Å; L301-R304 PolarHBondContact O-N 3.33Å; E302-R304 VanDerWaalsContact C-N 3.27Å; E302-R304 PolarHBondContact O-N 3.37Å; R304-L308 HydrophobicContact CG-CD1 4.3Å; R304-L308 WeakPolarHBondContact O-CB 3.46Å; R304-L308 VanDerWaalsContact O-CG 3.26Å; R304-L308 WeakPolarHBondContact O-CG 3.49Å; R304-L308 PolarHBondContact O-N 3.4Å
305N64.6Low67Low36 Ų3692.7 Ų92.719%0.19346%0.46CS..Hα-helixtrans-71.5-44.5174.4-167.576.9000111L301 E302 K303 T307 L308 E309L301-N305 WeakPolarHBondContact O-CB 3.3Å; L301-N305 PolarHBondContact O-N 3.06Å; E302-N305 CarbonylContact O-C 3.56Å; E302-N305 WeakPolarHBondContact O-CA 3.27Å; E302-N305 WeakPolarHBondContact O-CB 3.42Å; E302-N305 PolarHBondContact O-N 3.49Å; K303-N305 VanDerWaalsContact C-N 3.33Å; N305-T307 PolarHBondContact O-N 3.25Å; N305-L308 PolarHBondContact O-N 2.98Å; N305-L308 VanDerWaalsContact O-N 3.15Å; N305-E309 PolarHBondContact ND2-OE1 2.81Å; N305-E309 WeakPolarHBondContact O-CB 3.45Å; N305-E309 WeakPolarHBondContact O-CG 3.06Å; N305-E309 PolarHBondContact O-N 3.27Å
306E73.9Confident66Low115 Ų11589.5 Ų89.554%0.53745%0.448SS..Hα-helixtrans-52.9-52.5169.6-68170.616000110.4E302 L308 E309 D310E302-E306 PolarHBondContact O-N 2.94Å; E306-L308 VanDerWaalsContact C-N 3.28Å; E306-L308 PolarHBondContact O-N 3.43Å; E306-E309 PolarHBondContact O-N 2.95Å; E306-E309 VanDerWaalsContact O-N 3.13Å; E306-D310 WeakPolarHBondContact O-CB 3.48Å; E306-D310 VanDerWaalsContact O-CG 3.28Å; E306-D310 PolarHBondContact O-N 3.43Å
307T71.4Confident64.6Low79 Ų7987.5 Ų87.549%0.48544%0.438SS..Hα-helixtrans-57.8-38.3177.8-47.90000112.7K303 N305 L311K303-T307 WeakPolarHBondContact O-CB 3.46Å; K303-T307 PolarHBondContact O-N 3.03Å; K303-T307 PolarHBondContact O-OG1 3.27Å; N305-T307 PolarHBondContact O-N 3.25Å; T307-L311 HydrophobicContact CG2-CD1 4.17Å; T307-L311 WeakPolarHBondContact O-CB 3.4Å; T307-L311 WeakPolarHBondContact O-CD1 3.46Å; T307-L311 WeakPolarHBondContact O-CG 3.43Å; T307-L311 PolarHBondContact O-N 2.94Å; T307-L311 VanDerWaalsContact O-N 3.08Å
308L59.9Low63.4Low56 Ų5684 Ų8429%0.29343%0.432SS..Hα-helixtrans-75.4-35.6178.2-75.8169.9000112.5R304 N305 E306 V312R304-L308 HydrophobicContact CG-CD1 4.3Å; R304-L308 WeakPolarHBondContact O-CB 3.46Å; R304-L308 VanDerWaalsContact O-CG 3.26Å; R304-L308 WeakPolarHBondContact O-CG 3.49Å; R304-L308 PolarHBondContact O-N 3.4Å; N305-L308 PolarHBondContact O-N 2.98Å; N305-L308 VanDerWaalsContact O-N 3.15Å; E306-L308 VanDerWaalsContact C-N 3.28Å; E306-L308 PolarHBondContact O-N 3.43Å; L308-V312 VanDerWaalsContact O-CG2 3.29Å; L308-V312 WeakPolarHBondContact O-CG2 3.48Å; L308-V312 PolarHBondContact O-N 3.12Å; L308-V312 VanDerWaalsContact O-N 3.1Å
309E65.2Low62.6Low76 Ų7691.4 Ų91.436%0.35547%0.465SS..Hα-helixtrans-68.2-40.3174.8-75.4-177.1-165.300111.3N305 E306 V312 R313N305-E309 PolarHBondContact ND2-OE1 2.81Å; N305-E309 WeakPolarHBondContact O-CB 3.45Å; N305-E309 WeakPolarHBondContact O-CG 3.06Å; N305-E309 PolarHBondContact O-N 3.27Å; E306-E309 PolarHBondContact O-N 2.95Å; E306-E309 VanDerWaalsContact O-N 3.13Å; E309-V312 PolarHBondContact O-N 3.25Å; E309-R313 WeakPolarHBondContact O-CB 3.4Å; E309-R313 PolarHBondContact O-N 3.5Å; E309-R313 IonicContact OE2-NH2 2.75Å
310D71.1Confident61.1Low74 Ų7492.9 Ų92.940%0.39648%0.481SS..Hα-helixtrans-64.7-47.1174.6-66.7-22.6000110.9E306 V312 R313 D314E306-D310 WeakPolarHBondContact O-CB 3.48Å; E306-D310 VanDerWaalsContact O-CG 3.28Å; E306-D310 PolarHBondContact O-N 3.43Å; D310-V312 PolarHBondContact O-N 3.47Å; D310-R313 PolarHBondContact O-N 3.13Å; D310-D314 WeakPolarHBondContact O-CB 3.36Å; D310-D314 PolarHBondContact O-N 3.31Å
311L58.7Low59.5Low64 Ų6490.2 Ų90.234%0.33547%0.471SS..Hα-helixtrans-60.5-27.5175-75.2169.3000114T307 F317T307-L311 HydrophobicContact CG2-CD1 4.17Å; T307-L311 WeakPolarHBondContact O-CB 3.4Å; T307-L311 WeakPolarHBondContact O-CD1 3.46Å; T307-L311 WeakPolarHBondContact O-CG 3.43Å; T307-L311 PolarHBondContact O-N 2.94Å; T307-L311 VanDerWaalsContact O-N 3.08Å; L311-F317 HydrophobicContact CB-CD2 3.86Å; L311-F317 HydrophobicContact CB-CE2 3.96Å; L311-F317 HydrophobicContact CD1-CE2 4.04Å
312V56.7Low58.3Low69 Ų6998.6 Ų98.642%0.41850%0.498SS..Hα-helixtrans-80.5-37.6172.4167.60000111.3L308 E309 D310L308-V312 VanDerWaalsContact O-CG2 3.29Å; L308-V312 WeakPolarHBondContact O-CG2 3.48Å; L308-V312 PolarHBondContact O-N 3.12Å; L308-V312 VanDerWaalsContact O-N 3.1Å; E309-V312 PolarHBondContact O-N 3.25Å; D310-V312 PolarHBondContact O-N 3.47Å
313R63.8Low56.8Low175 Ų175101 Ų10166%0.6651%0.514SS*.Hα-helixtrans-73-35.5-177.3-161.9-179.3-57.5173.46.3112.6E309 D310 G315E309-R313 WeakPolarHBondContact O-CB 3.4Å; E309-R313 PolarHBondContact O-N 3.5Å; E309-R313 IonicContact OE2-NH2 2.75Å; D310-R313 PolarHBondContact O-N 3.13Å; R313-G315 VanDerWaalsContact C-N 3.28Å; R313-G315 PolarHBondContact O-N 3.46Å
314D60.9Low54.8Low125 Ų125100.8 Ų100.867%0.66852%0.515SS*.THydrogen-bonded Turntrans-80.9-4.3179-68.8-12.6000113.3D310 S316D310-D314 WeakPolarHBondContact O-CB 3.36Å; D310-D314 PolarHBondContact O-N 3.31Å; D314-S316 PolarHBondContact O-N 3.28Å
315G50.7Low53.4Low45 Ų4596.4 Ų96.446%0.46451%0.509SS..  trans66.7-0.1-178.500000115.3R313 F317 A318R313-G315 VanDerWaalsContact C-N 3.28Å; R313-G315 PolarHBondContact O-N 3.46Å; G315-F317 PolarHBondContact O-N 2.97Å; G315-F317 VanDerWaalsContact O-N 3.1Å; G315-A318 WeakPolarHBondContact O-CB 3.27Å; G315-A318 PolarHBondContact O-N 2.89Å
316S51.7Low52.6Low49 Ų4999.9 Ų99.934%0.34354%0.536SS..THydrogen-bonded Turntrans-67.8-11.7-171.453.40000114.6D314 A318D314-S316 PolarHBondContact O-N 3.28Å; S316-A318 VanDerWaalsContact C-N 3.27Å; S316-A318 PolarHBondContact O-N 2.85Å
317F46.3Very low51.4Low84 Ų84101.8 Ų101.837%0.36855%0.55SS..Hα-helixtrans-66.6-23.8168.9-112.1-73.3000114.2L311 G315 E319 A320 T321L311-F317 HydrophobicContact CB-CD2 3.86Å; L311-F317 HydrophobicContact CB-CE2 3.96Å; L311-F317 HydrophobicContact CD1-CE2 4.04Å; G315-F317 PolarHBondContact O-N 2.97Å; G315-F317 VanDerWaalsContact O-N 3.1Å; F317-E319 VanDerWaalsContact C-N 3.25Å; F317-E319 PolarHBondContact O-N 3.12Å; F317-A320 PolarHBondContact O-N 3.01Å; F317-T321 PolarHBondContact O-OG1 3.07Å
318A46Very low50.7Low54 Ų54100.3 Ų100.345%0.44654%0.542SS..Hα-helixtrans-65.4-27.5179.900000112.8G315 S316G315-A318 WeakPolarHBondContact O-CB 3.27Å; G315-A318 PolarHBondContact O-N 2.89Å; S316-A318 VanDerWaalsContact C-N 3.27Å; S316-A318 PolarHBondContact O-N 2.85Å
319E45.1Very low50.2Low175 Ų17599.3 Ų99.382%0.81855%0.546SS*.Hα-helixtrans-87.7-23.4180-64.5-166.4131.700113.5F317F317-E319 VanDerWaalsContact C-N 3.25Å; F317-E319 PolarHBondContact O-N 3.12Å
320A43.6Very low49.6Very low79 Ų79100.2 Ų100.265%0.65355%0.55SS**Hα-helixtrans-79.9-17.9179.900000113.9F317F317-A320 PolarHBondContact O-N 3.01Å
321T38.5Very low48.8Very low62 Ų62103.3 Ų103.338%0.3856%0.556SS.*  trans-137.487.6178.340.80000112.4F317 L323F317-T321 PolarHBondContact O-OG1 3.07Å; T321-L323 PolarHBondContact O-N 2.82Å
322R38.9Very low48.9Very low242 Ų242106.9 Ų106.991%0.91357%0.569SS**  trans-6844.2166.7-75.1-173169.8-164.4-2113.7
323L39.4Very low49.1Very low166 Ų166110.2 Ų110.287%0.86957%0.574SS**  trans-134.447.9176.1-76.5172.7000110T321T321-L323 PolarHBondContact O-N 2.82Å
324E36Very low49Very low122 Ų122108.9 Ų108.957%0.5757%0.573SS**  trans-87.7110.5170.8-66.6-166.7161.900110.7
325C39.6Very low49.1Very low77 Ų77105.2 Ų105.252%0.5255%0.552SS.*  trans-89.798.7153.41790000107.8N327 C328C325-N327 PolarHBondContact O-N 3.44Å; C325-N327 VanDerWaalsContact O-N 3.11Å; C325-C328 HydrophobicContact CB-CB 4.45Å
326S48Very low49.9Very low110 Ų110106.1 Ų106.177%0.76955%0.546SS*.THydrogen-bonded Turntrans-60-17.1177.748.60000113.7
327N47.3Very low50.7Low154 Ų154107.9 Ų107.982%0.82455%0.552SS**THydrogen-bonded Turntrans-98.3-17.8-174.9-75.7-11.4000115.9C325C325-N327 PolarHBondContact O-N 3.44Å; C325-N327 VanDerWaalsContact O-N 3.11Å
328C57.7Low51.6Low48 Ų48109 Ų10932%0.32456%0.561SS.*SBendtrans-91.9-12-172.372.20000115.1C325 E330 R333C325-C328 HydrophobicContact CB-CB 4.45Å; C328-E330 HydrophobicContact CB-CG 4.32Å; C328-E330 PolarHBondContact O-N 2.99Å; C328-R333 PolarHBondContact O-NH2 2.98Å
329G50Low52.6Low36 Ų36109.6 Ų109.637%0.37155%0.554SS.*  trans60.19.8-178.200000115.2R333G329-R333 WeakPolarHBondContact O-CG 3.5Å; G329-R333 PolarHBondContact O-N 2.9Å; G329-R333 PolarHBondContact O-NE 2.93Å
330E52.5Low53.8Low94 Ų94108.5 Ų108.544%0.43954%0.542SS..Hα-helixtrans-70.9-36-178.7-72.3-163.7165.200112.8C328 R333 K334C328-E330 HydrophobicContact CB-CG 4.32Å; C328-E330 PolarHBondContact O-N 2.99Å; E330-R333 VanDerWaalsContact CG-NH2 3.33Å; E330-R333 PolarHBondContact O-N 3.34Å; E330-K334 WeakPolarHBondContact O-CB 3.44Å; E330-K334 WeakPolarHBondContact O-CG 3.15Å; E330-K334 PolarHBondContact O-N 3.08Å
331W52.6Low54.8Low139 Ų139108.4 Ų108.453%0.52754%0.537SS..Hα-helixtrans-60.5-48.5174.7-173.490.8000110.5R333 K334 H335W331-R333 PolarHBondContact O-N 3.41Å; W331-K334 PolarHBondContact O-N 3.06Å; W331-H335 VanDerWaalsContact O-CB 3.29Å; W331-H335 WeakPolarHBondContact O-CB 3.44Å; W331-H335 PolarHBondContact O-N 3.26Å
332K61.3Low56Low139 Ų139107.6 Ų107.660%0.60453%0.528SS*.Hα-helixtrans-57.8-45.3173.1-170.2171.1-176.7173.50112K334 H335 D336K332-K334 PolarHBondContact O-N 3.4Å; K332-H335 PolarHBondContact O-N 2.88Å; K332-D336 WeakPolarHBondContact O-CB 3.28Å; K332-D336 PolarHBondContact O-N 3.1Å
333R61.5Low57.5Low140 Ų140104.3 Ų104.353%0.52852%0.516SS..Hα-helixtrans-62.4-41.3175.7-76.8-178.1-81.4158.4-6.9113.3C328 G329 E330 W331 N337C328-R333 PolarHBondContact O-NH2 2.98Å; G329-R333 WeakPolarHBondContact O-CG 3.5Å; G329-R333 PolarHBondContact O-N 2.9Å; G329-R333 PolarHBondContact O-NE 2.93Å; E330-R333 VanDerWaalsContact CG-NH2 3.33Å; E330-R333 PolarHBondContact O-N 3.34Å; W331-R333 PolarHBondContact O-N 3.41Å; R333-N337 WeakPolarHBondContact O-CB 3.22Å; R333-N337 PolarHBondContact O-N 3.2Å; R333-N337 PolarHBondContact O-ND2 3.24Å; R333-N337 PolarHBondContact O-OD1 3.45Å
334K62.5Low59Low146 Ų14698.3 Ų98.364%0.63549%0.49SS*.Hα-helixtrans-65.7-43.7175.5-75.9174.6-179169.30111.1E330 W331 K332 N337 L338E330-K334 WeakPolarHBondContact O-CB 3.44Å; E330-K334 WeakPolarHBondContact O-CG 3.15Å; E330-K334 PolarHBondContact O-N 3.08Å; W331-K334 PolarHBondContact O-N 3.06Å; K332-K334 PolarHBondContact O-N 3.4Å; K334-N337 PolarHBondContact O-N 3.21Å; K334-L338 PolarHBondContact O-N 3.37Å
335H61.3Low60.4Low48 Ų4897 Ų9722%0.22249%0.486CS..Hα-helixtrans-61.8-50.4176-168.9-91.3000111.6W331 K332 N337 L338 F339W331-H335 VanDerWaalsContact O-CB 3.29Å; W331-H335 WeakPolarHBondContact O-CB 3.44Å; W331-H335 PolarHBondContact O-N 3.26Å; K332-H335 PolarHBondContact O-N 2.88Å; H335-N337 PolarHBondContact O-N 3.46Å; H335-L338 WeakPolarHBondContact O-CB 3.47Å; H335-L338 PolarHBondContact O-N 3Å; H335-L338 VanDerWaalsContact O-N 3.08Å; H335-F339 AromaticContact CE1-CD2 3.49Å; H335-F339 VanDerWaalsContact CE1-CD2 3.49Å; H335-F339 WeakPolarHBondContact CE1-CD2 3.32Å; H335-F339 AromaticContact CE1-CE2 3.14Å; H335-F339 WeakPolarHBondContact CE1-CE2 3.45Å; H335-F339 AromaticContact CE1-CZ 3.97Å; H335-F339 AromaticContact ND1-CD2 3.62Å; H335-F339 AromaticContact ND1-CE2 3.78Å; H335-F339 AromaticContact NE2-CD2 3.96Å; H335-F339 AromaticContact NE2-CE2 3.37Å; H335-F339 WeakPolarHBondContact NE2-CE2 3.49Å; H335-F339 WeakPolarHBondContact O-CD2 3.42Å; H335-F339 PolarHBondContact O-N 3.45Å
336D67.8Low61.7Low65 Ų6596.6 Ų96.635%0.34848%0.479SS..Hα-helixtrans-60.4-31175.6-70.2-18.4000112.6K332 R340K332-D336 WeakPolarHBondContact O-CB 3.28Å; K332-D336 PolarHBondContact O-N 3.1Å; D336-R340 VanDerWaalsContact O-CB 3.25Å; D336-R340 WeakPolarHBondContact O-CB 3.4Å; D336-R340 WeakPolarHBondContact O-CG 3.46Å; D336-R340 PolarHBondContact O-N 3.3Å; D336-R340 PolarHBondContact O-NE 3.43Å
337N69.7Low62.8Low85 Ų8596.1 Ų96.146%0.45547%0.468SS..Hα-helixtrans-76.5-36.9174.7-72.8-8.9000112.1R333 K334 H335 R340 S341R333-N337 WeakPolarHBondContact O-CB 3.22Å; R333-N337 PolarHBondContact O-N 3.2Å; R333-N337 PolarHBondContact O-ND2 3.24Å; R333-N337 PolarHBondContact O-OD1 3.45Å; K334-N337 PolarHBondContact O-N 3.21Å; H335-N337 PolarHBondContact O-N 3.46Å; N337-R340 PolarHBondContact OD1-NH2 3.12Å; N337-S341 VanDerWaalsContact O-CB 3.29Å; N337-S341 WeakPolarHBondContact O-CB 3.47Å; N337-S341 PolarHBondContact O-N 3.28Å; N337-S341 PolarHBondContact O-OG 3.28Å
338L64.6Low63.9Low109 Ų10997.7 Ų97.757%0.57146%0.462SS*.Hα-helixtrans-64-49.9173.4-164.382.7000110.6K334 H335 R340 S341 H342K334-L338 PolarHBondContact O-N 3.37Å; H335-L338 WeakPolarHBondContact O-CB 3.47Å; H335-L338 PolarHBondContact O-N 3Å; H335-L338 VanDerWaalsContact O-N 3.08Å; L338-R340 PolarHBondContact O-N 2.96Å; L338-S341 PolarHBondContact O-N 3.03Å; L338-H342 WeakPolarHBondContact O-CB 3.42Å; L338-H342 PolarHBondContact O-N 2.9Å
339F66.3Low64.1Low65 Ų6598 Ų9829%0.28546%0.458SS..Hα-helixtrans-60.6-42.6176.5-92.1-96.2000112.6H335 H342 R343H335-F339 AromaticContact CE1-CD2 3.49Å; H335-F339 VanDerWaalsContact CE1-CD2 3.49Å; H335-F339 WeakPolarHBondContact CE1-CD2 3.32Å; H335-F339 AromaticContact CE1-CE2 3.14Å; H335-F339 WeakPolarHBondContact CE1-CE2 3.45Å; H335-F339 AromaticContact CE1-CZ 3.97Å; H335-F339 AromaticContact ND1-CD2 3.62Å; H335-F339 AromaticContact ND1-CE2 3.78Å; H335-F339 AromaticContact NE2-CD2 3.96Å; H335-F339 AromaticContact NE2-CE2 3.37Å; H335-F339 WeakPolarHBondContact NE2-CE2 3.49Å; H335-F339 WeakPolarHBondContact O-CD2 3.42Å; H335-F339 PolarHBondContact O-N 3.45Å; F339-H342 PolarHBondContact O-N 3.44Å; F339-R343 PolarHBondContact O-N 3.27Å
340R70.5Confident65.1Low152 Ų152101.7 Ų101.757%0.57447%0.466SS*.Hα-helixtrans-64.3-39.8174.1-80.1-178.2-76.5-163.5-0.9112.6D336 N337 L338 A344D336-R340 VanDerWaalsContact O-CB 3.25Å; D336-R340 WeakPolarHBondContact O-CB 3.4Å; D336-R340 WeakPolarHBondContact O-CG 3.46Å; D336-R340 PolarHBondContact O-N 3.3Å; D336-R340 PolarHBondContact O-NE 3.43Å; N337-R340 PolarHBondContact OD1-NH2 3.12Å; L338-R340 PolarHBondContact O-N 2.96Å; R340-A344 VanDerWaalsContact O-CB 3.31Å; R340-A344 WeakPolarHBondContact O-CB 3.02Å; R340-A344 PolarHBondContact O-N 2.94Å
341S65.7Low66Low77 Ų7799.7 Ų99.754%0.53847%0.465SS..Hα-helixtrans-67.6-38.7177.3-57.90000111.7N337 L338 L345N337-S341 VanDerWaalsContact O-CB 3.29Å; N337-S341 WeakPolarHBondContact O-CB 3.47Å; N337-S341 PolarHBondContact O-N 3.28Å; N337-S341 PolarHBondContact O-OG 3.28Å; L338-S341 PolarHBondContact O-N 3.03Å; S341-L345 PolarHBondContact O-N 3.41Å; S341-L345 VanDerWaalsContact O-N 3.12Å
342H62.1Low66.6Low45 Ų4596.4 Ų96.421%0.20846%0.456CS..Hα-helixtrans-68.5-47.6177.4-162.2-114.9000111.9L338 F339 A344 L345 I346L338-H342 WeakPolarHBondContact O-CB 3.42Å; L338-H342 PolarHBondContact O-N 2.9Å; F339-H342 PolarHBondContact O-N 3.44Å; H342-A344 VanDerWaalsContact C-N 3.34Å; H342-A344 PolarHBondContact O-N 2.95Å; H342-L345 WeakPolarHBondContact O-CA 3.45Å; H342-L345 VanDerWaalsContact O-CB 3.27Å; H342-L345 WeakPolarHBondContact O-CB 3.3Å; H342-L345 PolarHBondContact O-N 3.01Å; H342-I346 PolarHBondContact O-N 3.44Å
343R70.9Confident67.1Low174 Ų17495 Ų9566%0.65745%0.45SS*.Hα-helixtrans-56.5-46172.3-77.5-170.9-178.4173.82.4112F339 L345 I346 D347F339-R343 PolarHBondContact O-N 3.27Å; R343-L345 PolarHBondContact O-N 3.45Å; R343-L345 VanDerWaalsContact O-N 3.15Å; R343-I346 PolarHBondContact O-N 2.97Å; R343-I346 VanDerWaalsContact O-N 3.08Å; R343-D347 PolarHBondContact O-N 3.14Å
344A70.8Confident67.6Low40 Ų4091.7 Ų91.733%0.33145%0.448SS..Hα-helixtrans-63.6-20.1176.500000113.7R340 H342 R348R340-A344 VanDerWaalsContact O-CB 3.31Å; R340-A344 WeakPolarHBondContact O-CB 3.02Å; R340-A344 PolarHBondContact O-N 2.94Å; H342-A344 VanDerWaalsContact C-N 3.34Å; H342-A344 PolarHBondContact O-N 2.95Å; A344-R348 WeakPolarHBondContact O-CD 3.32Å; A344-R348 WeakPolarHBondContact O-CG 3.37Å; A344-R348 PolarHBondContact O-N 3.09Å
345L65.2Low68.1Low93 Ų9390.8 Ų90.849%0.48744%0.44SS..Hα-helixtrans-80.6-40.3172.8-147.8111.8000111.4L301 S341 H342 R343 R348 F349L301-L345 HydrophobicContact CD1-CD2 4.23Å; S341-L345 PolarHBondContact O-N 3.41Å; S341-L345 VanDerWaalsContact O-N 3.12Å; H342-L345 WeakPolarHBondContact O-CA 3.45Å; H342-L345 VanDerWaalsContact O-CB 3.27Å; H342-L345 WeakPolarHBondContact O-CB 3.3Å; H342-L345 PolarHBondContact O-N 3.01Å; R343-L345 PolarHBondContact O-N 3.45Å; R343-L345 VanDerWaalsContact O-N 3.15Å; L345-R348 PolarHBondContact O-N 2.89Å; L345-F349 PolarHBondContact O-N 3.47Å
346I68.5Low68.3Low69 Ų6989.9 Ų89.935%0.35444%0.436SS..Hα-helixtrans-63.7-49.6173.1-63.9169000110.4H342 R343 R348 F349 E350H342-I346 PolarHBondContact O-N 3.44Å; R343-I346 PolarHBondContact O-N 2.97Å; R343-I346 VanDerWaalsContact O-N 3.08Å; I346-R348 PolarHBondContact O-N 3.23Å; I346-F349 CarbonylContact O-C 3.59Å; I346-F349 WeakPolarHBondContact O-CA 3.49Å; I346-F349 WeakPolarHBondContact O-CB 3.43Å; I346-F349 PolarHBondContact O-N 3.3Å; I346-E350 HydrophobicContact CG2-CG 4.4Å; I346-E350 PolarHBondContact O-N 3.41Å
347D70.9Confident68.6Low101 Ų10191.7 Ų91.754%0.5444%0.442SS..Hα-helixtrans-54.9-40.3177.6-64.5-20.2000111.8R343 A351R343-D347 PolarHBondContact O-N 3.14Å; D347-A351 WeakPolarHBondContact O-CB 3.42Å; D347-A351 PolarHBondContact O-N 3.39Å; D347-A351 VanDerWaalsContact O-N 3.11Å
348R69.7Low68.7Low187 Ų18790.1 Ų90.171%0.70644%0.441SS*.Hα-helixtrans-67.9-39.8175.1-76.5172.9-173.4-169.43.6111.9A344 L345 I346 A351 E352A344-R348 WeakPolarHBondContact O-CD 3.32Å; A344-R348 WeakPolarHBondContact O-CG 3.37Å; A344-R348 PolarHBondContact O-N 3.09Å; L345-R348 PolarHBondContact O-N 2.89Å; I346-R348 PolarHBondContact O-N 3.23Å; R348-A351 PolarHBondContact O-N 2.85Å; R348-E352 PolarHBondContact O-N 3.06Å
349F61.8Low69Low54 Ų5488.6 Ų88.624%0.23743%0.434CS..Hα-helixtrans-64.4-47.8176.9-179.5-88.9000111.6L294 C298 L345 I346 A351 E352 K353L294-F349 HydrophobicContact CB-CE2 3.98Å; L294-F349 HydrophobicContact CB-CZ 4.36Å; L294-F349 HydrophobicContact CD2-CE2 4.13Å; C298-F349 HydrophobicContact CB-CE1 4.34Å; C298-F349 HydrophobicContact CB-CZ 4.2Å; C298-F349 WeakPolarHBondContact SG-CD1 3.41Å; C298-F349 VanDerWaalsContact SG-CD2 3.54Å; C298-F349 WeakPolarHBondContact SG-CE1 3.29Å; C298-F349 WeakPolarHBondContact SG-CE2 3.47Å; C298-F349 VanDerWaalsContact SG-CG 3.57Å; C298-F349 WeakPolarHBondContact SG-CZ 3.47Å; L345-F349 PolarHBondContact O-N 3.47Å; I346-F349 CarbonylContact O-C 3.59Å; I346-F349 WeakPolarHBondContact O-CA 3.49Å; I346-F349 WeakPolarHBondContact O-CB 3.43Å; I346-F349 PolarHBondContact O-N 3.3Å; F349-A351 VanDerWaalsContact C-N 3.29Å; F349-A351 PolarHBondContact O-N 2.99Å; F349-E352 PolarHBondContact O-N 2.98Å; F349-E352 VanDerWaalsContact O-N 3.08Å; F349-K353 HydrophobicContact CE1-CB 4.25Å; F349-K353 HydrophobicContact CE1-CD 4.29Å; F349-K353 WeakPolarHBondContact O-CB 3.45Å; F349-K353 PolarHBondContact O-N 3.22Å
350E71.6Confident69Low114 Ų11487.1 Ų87.153%0.53343%0.426SS..Hα-helixtrans-61.1-38.8177.4-68.6-172.7168.700112.1I346 E352 K353 S354I346-E350 HydrophobicContact CG2-CG 4.4Å; I346-E350 PolarHBondContact O-N 3.41Å; E350-E352 VanDerWaalsContact C-N 3.35Å; E350-K353 PolarHBondContact O-N 2.74Å; E350-S354 WeakPolarHBondContact O-CB 3.41Å; E350-S354 PolarHBondContact O-N 2.78Å; E350-S354 PolarHBondContact O-OG 2.99Å
351A71.6Confident69.2Low52 Ų5284.6 Ų84.643%0.4343%0.428SS..Hα-helixtrans-66.2-33.7174.200000113.1D347 R348 F349 R355D347-A351 WeakPolarHBondContact O-CB 3.42Å; D347-A351 PolarHBondContact O-N 3.39Å; D347-A351 VanDerWaalsContact O-N 3.11Å; R348-A351 PolarHBondContact O-N 2.85Å; F349-A351 VanDerWaalsContact C-N 3.29Å; F349-A351 PolarHBondContact O-N 2.99Å; A351-R355 WeakPolarHBondContact O-CB 3.46Å; A351-R355 PolarHBondContact O-N 2.93Å
352E64.8Low69.5Low70 Ų7085.7 Ų85.733%0.32743%0.427SS..Hα-helixtrans-75.8-42.8175.5-154.965.1-138.900111.1R348 F349 E350 S354 R355 H356R348-E352 PolarHBondContact O-N 3.06Å; F349-E352 PolarHBondContact O-N 2.98Å; F349-E352 VanDerWaalsContact O-N 3.08Å; E350-E352 VanDerWaalsContact C-N 3.35Å; E352-S354 PolarHBondContact O-N 3.37Å; E352-R355 VanDerWaalsContact CD-CZ 3.43Å; E352-R355 WeakPolarHBondContact O-CA 3.47Å; E352-R355 WeakPolarHBondContact O-CB 3.46Å; E352-R355 PolarHBondContact O-N 3.49Å; E352-R355 IonicContact OE1-CZ 3.84Å; E352-R355 IonicContact OE1-NE 2.92Å; E352-R355 IonicContact OE1-NH1 3.21Å; E352-R355 PolarHBondContact OE1-NH1 2.96Å; E352-R355 IonicContact OE1-NH2 3.21Å; E352-R355 IonicContact OE2-CZ 2.66Å; E352-R355 IonicContact OE2-NH1 3.86Å; E352-R355 PolarHBondContact OE2-NH1 3.49Å; E352-R355 IonicContact OE2-NH2 3.6Å; E352-R355 PolarHBondContact OE2-NH2 3.05Å; E352-H356 PolarHBondContact O-CD2 2.83Å; E352-H356 PolarHBondContact O-N 2.94Å
353K71.1Confident69.9Low110 Ų11085.9 Ų85.948%0.47843%0.43SS..Hα-helixtrans-55.9-49.3172.8-178.1-175.5173.9-173.10111.1F349 E350 R355 H356 E357F349-K353 HydrophobicContact CE1-CB 4.25Å; F349-K353 HydrophobicContact CE1-CD 4.29Å; F349-K353 WeakPolarHBondContact O-CB 3.45Å; F349-K353 PolarHBondContact O-N 3.22Å; E350-K353 PolarHBondContact O-N 2.74Å; K353-R355 PolarHBondContact O-N 2.91Å; K353-H356 PolarHBondContact O-N 3.19Å; K353-H356 VanDerWaalsContact O-N 3.13Å; K353-E357 WeakPolarHBondContact CE-OE1 3.5Å; K353-E357 WeakPolarHBondContact O-CG 3.19Å; K353-E357 PolarHBondContact O-N 3.29Å
354S73.1Confident70Confident70 Ų7081 Ų8149%0.4942%0.417SS..Hα-helixtrans-59.6-33.5176.2-56.90000112.6E350 E352 A358E350-S354 WeakPolarHBondContact O-CB 3.41Å; E350-S354 PolarHBondContact O-N 2.78Å; E350-S354 PolarHBondContact O-OG 2.99Å; E352-S354 PolarHBondContact O-N 3.37Å; S354-A358 WeakPolarHBondContact O-CB 3.49Å; S354-A358 PolarHBondContact O-N 2.96Å; S354-A358 VanDerWaalsContact O-N 3.11Å
355R71.5Confident70.2Confident127 Ų12781.3 Ų81.348%0.47942%0.423SS..Hα-helixtrans-72.9-40.7176.2-166.6-171.6-52.314722111.5A351 E352 K353 A358 N359A351-R355 WeakPolarHBondContact O-CB 3.46Å; A351-R355 PolarHBondContact O-N 2.93Å; E352-R355 VanDerWaalsContact CD-CZ 3.43Å; E352-R355 WeakPolarHBondContact O-CA 3.47Å; E352-R355 WeakPolarHBondContact O-CB 3.46Å; E352-R355 PolarHBondContact O-N 3.49Å; E352-R355 IonicContact OE1-CZ 3.84Å; E352-R355 IonicContact OE1-NE 2.92Å; E352-R355 IonicContact OE1-NH1 3.21Å; E352-R355 PolarHBondContact OE1-NH1 2.96Å; E352-R355 IonicContact OE1-NH2 3.21Å; E352-R355 IonicContact OE2-CZ 2.66Å; E352-R355 IonicContact OE2-NH1 3.86Å; E352-R355 PolarHBondContact OE2-NH1 3.49Å; E352-R355 IonicContact OE2-NH2 3.6Å; E352-R355 PolarHBondContact OE2-NH2 3.05Å; K353-R355 PolarHBondContact O-N 2.91Å; R355-A358 PolarHBondContact O-N 3.27Å; R355-N359 VanDerWaalsContact O-CG 3.24Å; R355-N359 PolarHBondContact O-N 3.02Å; R355-N359 PolarHBondContact O-ND2 3.46Å
356H66.6Low70.7Confident29 Ų2981.6 Ų81.613%0.13442%0.422CS..Hα-helixtrans-62.3-48.2173.3-77.5-72.6000111E352 K353 A358 N359 Y360E352-H356 PolarHBondContact O-CD2 2.83Å; E352-H356 PolarHBondContact O-N 2.94Å; K353-H356 PolarHBondContact O-N 3.19Å; K353-H356 VanDerWaalsContact O-N 3.13Å; H356-A358 VanDerWaalsContact C-N 3.31Å; H356-A358 PolarHBondContact O-N 2.77Å; H356-N359 WeakPolarHBondContact O-CB 3.23Å; H356-N359 PolarHBondContact O-N 3.07Å; H356-Y360 VanDerWaalsContact O-CD2 3.27Å; H356-Y360 WeakPolarHBondContact O-CD2 3.42Å; H356-Y360 PolarHBondContact O-N 3.5Å
357E73.1Confident71Confident102 Ų10283.7 Ų83.748%0.47743%0.429SS..Hα-helixtrans-57.7-40.1176.4-71.4171.5-177.400112.9K353 Y360 T361K353-E357 WeakPolarHBondContact CE-OE1 3.5Å; K353-E357 WeakPolarHBondContact O-CG 3.19Å; K353-E357 PolarHBondContact O-N 3.29Å; E357-Y360 PolarHBondContact O-N 3.48Å; E357-T361 PolarHBondContact O-N 3.5Å; E357-T361 PolarHBondContact O-OG1 3.26Å
358A71.2Confident71.3Confident52 Ų5283.1 Ų83.143%0.4343%0.425SS..Hα-helixtrans-65.3-37.6172.800000113.1S354 R355 H356 T361 L362S354-A358 WeakPolarHBondContact O-CB 3.49Å; S354-A358 PolarHBondContact O-N 2.96Å; S354-A358 VanDerWaalsContact O-N 3.11Å; R355-A358 PolarHBondContact O-N 3.27Å; H356-A358 VanDerWaalsContact C-N 3.31Å; H356-A358 PolarHBondContact O-N 2.77Å; A358-T361 WeakPolarHBondContact CA-OG1 3.39Å; A358-T361 PolarHBondContact O-OG1 2.9Å; A358-T361 VanDerWaalsContact O-OG1 3.09Å; A358-L362 WeakPolarHBondContact O-CB 3.31Å; A358-L362 PolarHBondContact O-N 3.38Å; A358-L362 VanDerWaalsContact O-N 3.09Å
359N72Confident71.7Confident77 Ų7780.9 Ų80.941%0.41242%0.421SS..Hα-helixtrans-70.3-37.6175.5-70.9-16.3000112R355 H356 L362 L363R355-N359 VanDerWaalsContact O-CG 3.24Å; R355-N359 PolarHBondContact O-N 3.02Å; R355-N359 PolarHBondContact O-ND2 3.46Å; H356-N359 WeakPolarHBondContact O-CB 3.23Å; H356-N359 PolarHBondContact O-N 3.07Å; N359-L362 PolarHBondContact O-N 3.15Å; N359-L363 WeakPolarHBondContact O-CG 3.37Å; N359-L363 PolarHBondContact O-N 3.34Å
360Y66.7Low72.3Confident34 Ų3482.1 Ų82.113%0.13343%0.429CS..Hα-helixtrans-62.3-48.3174.3-89.7-79.9000111.8Y284 L287 T288 N291 H356 E357 L362 L363 D364Y284-Y360 HydrophobicContact CD2-CD1 4.46Å; Y284-Y360 HydrophobicContact CD2-CE1 4.16Å; Y284-Y360 AromaticContact CE2-CD1 3.95Å; Y284-Y360 HydrophobicContact CE2-CD1 3.95Å; Y284-Y360 AromaticContact CE2-CE1 3.84Å; Y284-Y360 HydrophobicContact CE2-CE1 3.84Å; L287-Y360 HydrophobicContact CB-CE2 4.37Å; L287-Y360 WeakPolarHBondContact CB-OH 3.35Å; L287-Y360 PolarHBondContact O-OH 3.46Å; T288-Y360 WeakPolarHBondContact CA-OH 3.29Å; T288-Y360 PolarHBondContact N-OH 2.96Å; T288-Y360 PolarHBondContact OG1-OH 3.38Å; N291-Y360 VanDerWaalsContact ND2-CE2 3.28Å; N291-Y360 WeakPolarHBondContact ND2-CE2 3.45Å; H356-Y360 VanDerWaalsContact O-CD2 3.27Å; H356-Y360 WeakPolarHBondContact O-CD2 3.42Å; H356-Y360 PolarHBondContact O-N 3.5Å; E357-Y360 PolarHBondContact O-N 3.48Å; Y360-L362 VanDerWaalsContact C-N 3.28Å; Y360-L362 PolarHBondContact O-N 3.36Å; Y360-L363 PolarHBondContact O-N 3.32Å; Y360-L363 VanDerWaalsContact O-N 3.15Å; Y360-D364 PolarHBondContact O-N 2.95Å
361T74.6Confident72.5Confident99 Ų9981.2 Ų81.261%0.60743%0.425SS*.Hα-helixtrans-63.8-32177.340.30000112.9E357 A358 G365E357-T361 PolarHBondContact O-N 3.5Å; E357-T361 PolarHBondContact O-OG1 3.26Å; A358-T361 WeakPolarHBondContact CA-OG1 3.39Å; A358-T361 PolarHBondContact O-OG1 2.9Å; A358-T361 VanDerWaalsContact O-OG1 3.09Å; T361-G365 PolarHBondContact O-N 3.06Å
362L72.3Confident72.9Confident101 Ų10184.8 Ų84.853%0.52943%0.431SS..Hα-helixtrans-66.5-45.7170.6-177.766.6000112.2A358 N359 Y360 G365 Q366A358-L362 WeakPolarHBondContact O-CB 3.31Å; A358-L362 PolarHBondContact O-N 3.38Å; A358-L362 VanDerWaalsContact O-N 3.09Å; N359-L362 PolarHBondContact O-N 3.15Å; Y360-L362 VanDerWaalsContact C-N 3.28Å; Y360-L362 PolarHBondContact O-N 3.36Å; L362-G365 PolarHBondContact O-N 2.84Å; L362-Q366 WeakPolarHBondContact O-CG 3.26Å; L362-Q366 PolarHBondContact O-N 3.19Å
363L69.3Low73.5Confident49 Ų4984.4 Ų84.426%0.25743%0.431SS..Hα-helixtrans-65.8-43.3179.4-74170.6000112.1L287 N359 Y360 G365 Q366 K367L287-L363 HydrophobicContact CD1-CD1 3.89Å; N359-L363 WeakPolarHBondContact O-CG 3.37Å; N359-L363 PolarHBondContact O-N 3.34Å; Y360-L363 PolarHBondContact O-N 3.32Å; Y360-L363 VanDerWaalsContact O-N 3.15Å; L363-G365 VanDerWaalsContact C-N 3.32Å; L363-G365 PolarHBondContact O-N 2.75Å; L363-Q366 PolarHBondContact O-N 3.22Å; L363-K367 WeakPolarHBondContact O-CB 3.49Å; L363-K367 PolarHBondContact O-N 3.28Å
364D73.6Confident73.6Confident72 Ų7282.6 Ų82.639%0.38543%0.429SS..Hα-helixtrans-62.5-39.7173.7-80.5-19.3000111.4Y360 Q366 K367 L368Y360-D364 PolarHBondContact O-N 2.95Å; D364-Q366 PolarHBondContact O-N 3.03Å; D364-K367 PolarHBondContact O-N 3.45Å; D364-L368 VanDerWaalsContact O-CB 3.31Å; D364-L368 WeakPolarHBondContact O-CB 3.47Å; D364-L368 PolarHBondContact O-N 3.47Å
365G75.1Confident73.8Confident45 Ų4583.9 Ų83.946%0.46443%0.427SS..Hα-helixtrans-62.4-39.9173.600000113.3T361 L362 L363 K369T361-G365 PolarHBondContact O-N 3.06Å; L362-G365 PolarHBondContact O-N 2.84Å; L363-G365 VanDerWaalsContact C-N 3.32Å; L363-G365 PolarHBondContact O-N 2.75Å; G365-K369 PolarHBondContact O-N 2.91Å; G365-K369 VanDerWaalsContact O-N 3.14Å
366Q75.3Confident74.1Confident99 Ų9983.3 Ų83.346%0.46343%0.428SS..Hα-helixtrans-68.8-43.3174.8-73.5178.8-3.800112L362 L363 D364 K369 L370L362-Q366 WeakPolarHBondContact O-CG 3.26Å; L362-Q366 PolarHBondContact O-N 3.19Å; L363-Q366 PolarHBondContact O-N 3.22Å; D364-Q366 PolarHBondContact O-N 3.03Å; Q366-K369 WeakPolarHBondContact O-CB 3.4Å; Q366-K369 PolarHBondContact O-N 3.32Å; Q366-L370 WeakPolarHBondContact O-CG 3.41Å; Q366-L370 PolarHBondContact O-N 3.33Å
367K75.7Confident74.4Confident113 Ų11387.4 Ų87.449%0.49145%0.451SS..Hα-helixtrans-57.3-50.2174.7177.4-176.9169.9-174.50111.3L363 D364 K369 L370 E371L363-K367 WeakPolarHBondContact O-CB 3.49Å; L363-K367 PolarHBondContact O-N 3.28Å; D364-K367 PolarHBondContact O-N 3.45Å; K367-K369 PolarHBondContact O-N 2.96Å; K367-L370 PolarHBondContact O-N 2.94Å; K367-L370 VanDerWaalsContact O-N 3.1Å; K367-E371 WeakPolarHBondContact CE-OE1 3.38Å; K367-E371 WeakPolarHBondContact O-CG 3.37Å; K367-E371 PolarHBondContact O-N 2.94Å
368L77Confident74.7Confident90 Ų9088.1 Ų88.147%0.47145%0.452SS..Hα-helixtrans-69-23-178.1-159.2138.8000112.8D364 K372D364-L368 VanDerWaalsContact O-CB 3.31Å; D364-L368 WeakPolarHBondContact O-CB 3.47Å; D364-L368 PolarHBondContact O-N 3.47Å; L368-K372 HydrophobicContact CD2-CD 4.34Å; L368-K372 WeakPolarHBondContact O-CG 3.34Å; L368-K372 PolarHBondContact O-N 2.89Å
369K78Confident75Confident140 Ų14091.3 Ų91.361%0.60946%0.458SS*.Hα-helixtrans-72.5-48167.6-174.9179.1178.2-178.60111.5G365 Q366 K367 E371 K372 D373G365-K369 PolarHBondContact O-N 2.91Å; G365-K369 VanDerWaalsContact O-N 3.14Å; Q366-K369 WeakPolarHBondContact O-CB 3.4Å; Q366-K369 PolarHBondContact O-N 3.32Å; K367-K369 PolarHBondContact O-N 2.96Å; K369-E371 VanDerWaalsContact C-N 3.34Å; K369-E371 PolarHBondContact O-N 3.39Å; K369-K372 PolarHBondContact O-N 3.37Å; K369-D373 PolarHBondContact O-N 2.95Å
370L73.7Confident75.3Confident79 Ų7992.1 Ų92.141%0.41446%0.463SS..Hα-helixtrans-60.3-41.4177.3-72.2169.7000112L280 Q366 K367 K372 D373 V374L280-L370 HydrophobicContact CD1-CD1 4.03Å; Q366-L370 WeakPolarHBondContact O-CG 3.41Å; Q366-L370 PolarHBondContact O-N 3.33Å; K367-L370 PolarHBondContact O-N 2.94Å; K367-L370 VanDerWaalsContact O-N 3.1Å; L370-K372 PolarHBondContact O-N 2.84Å; L370-D373 PolarHBondContact O-N 3.07Å; L370-V374 WeakPolarHBondContact O-CB 3.46Å; L370-V374 VanDerWaalsContact O-CG2 3.3Å; L370-V374 WeakPolarHBondContact O-CG2 3.44Å; L370-V374 PolarHBondContact O-N 3.47Å
371E76.7Confident75.6Confident96 Ų9693.2 Ų93.245%0.44948%0.475SS..Hα-helixtrans-58.3-45.6174.7-73.3169.9170.200111.5K367 K369 V374 E375K367-E371 WeakPolarHBondContact CE-OE1 3.38Å; K367-E371 WeakPolarHBondContact O-CG 3.37Å; K367-E371 PolarHBondContact O-N 2.94Å; K369-E371 VanDerWaalsContact C-N 3.34Å; K369-E371 PolarHBondContact O-N 3.39Å; E371-V374 PolarHBondContact O-N 3.49Å; E371-E375 PolarHBondContact O-N 2.9Å
372K80.6Confident75.7Confident127 Ų12790.8 Ų90.855%0.55246%0.462SS*.Hα-helixtrans-65.9-39176.1-74.4175.5178.7178.90113.5L368 K369 L370 E375 K376L368-K372 HydrophobicContact CD2-CD 4.34Å; L368-K372 WeakPolarHBondContact O-CG 3.34Å; L368-K372 PolarHBondContact O-N 2.89Å; K369-K372 PolarHBondContact O-N 3.37Å; L370-K372 PolarHBondContact O-N 2.84Å; K372-E375 PolarHBondContact O-N 3.04Å; K372-K376 WeakPolarHBondContact O-CG 3.35Å; K372-K376 PolarHBondContact O-N 3.23Å; K372-K376 VanDerWaalsContact O-N 3.11Å
373D75.6Confident75.8Confident61 Ų6188.9 Ų88.933%0.32645%0.454SS..Hα-helixtrans-71.3-33.6178.6-69.7-24.5000111K369 L370 K376 L377K369-D373 PolarHBondContact O-N 2.95Å; L370-D373 PolarHBondContact O-N 3.07Å; D373-K376 IonicContact OD1-NZ 2.85Å; D373-L377 VanDerWaalsContact O-CG 3.29Å; D373-L377 WeakPolarHBondContact O-CG 3.44Å; D373-L377 PolarHBondContact O-N 3.09Å
374V73.5Confident76Confident72 Ų7292.1 Ų92.144%0.43647%0.471SS..Hα-helixtrans-65-41.3169.6166.60000111.9L370 E371 L377 K378L370-V374 WeakPolarHBondContact O-CB 3.46Å; L370-V374 VanDerWaalsContact O-CG2 3.3Å; L370-V374 WeakPolarHBondContact O-CG2 3.44Å; L370-V374 PolarHBondContact O-N 3.47Å; E371-V374 PolarHBondContact O-N 3.49Å; V374-L377 PolarHBondContact O-N 2.92Å; V374-K378 WeakPolarHBondContact O-CG 3.29Å; V374-K378 PolarHBondContact O-N 3.02Å
375E77.3Confident76Confident97 Ų9794.5 Ų94.545%0.45348%0.48SS..Hα-helixtrans-59.8-48.6175.7-141.469-108.100111.2E371 K372 L377 K378 E379E371-E375 PolarHBondContact O-N 2.9Å; K372-E375 PolarHBondContact O-N 3.04Å; E375-L377 VanDerWaalsContact C-N 3.29Å; E375-L377 PolarHBondContact O-N 2.85Å; E375-K378 WeakPolarHBondContact O-CB 3.42Å; E375-K378 PolarHBondContact O-N 2.71Å; E375-K378 VanDerWaalsContact O-N 3.09Å; E375-K378 WeakPolarHBondContact OE1-CD 3.45Å; E375-K378 IonicContact OE1-NZ 3.18Å; E375-K378 PolarHBondContact OE1-NZ 3.21Å; E375-K378 IonicContact OE2-NZ 2.74Å; E375-E379 PolarHBondContact O-N 3.46Å
376K79Confident76Confident116 Ų11699.7 Ų99.750%0.50449%0.486SS..Hα-helixtrans-59.5-36.6174.3-70.6173.4-176.9169.20113K372 D373 E379 N380K372-K376 WeakPolarHBondContact O-CG 3.35Å; K372-K376 PolarHBondContact O-N 3.23Å; K372-K376 VanDerWaalsContact O-N 3.11Å; D373-K376 IonicContact OD1-NZ 2.85Å; K376-E379 PolarHBondContact O-N 3.44Å; K376-N380 WeakPolarHBondContact O-CB 3.48Å; K376-N380 VanDerWaalsContact O-CG 3.26Å; K376-N380 PolarHBondContact O-N 3.01Å; K376-N380 PolarHBondContact O-ND2 3.27Å
377L72.8Confident76.1Confident115 Ų115100.1 Ų100.160%0.60249%0.489SS*.Hα-helixtrans-67.4-36.6176-75.4169000112D373 V374 E375 S381D373-L377 VanDerWaalsContact O-CG 3.29Å; D373-L377 WeakPolarHBondContact O-CG 3.44Å; D373-L377 PolarHBondContact O-N 3.09Å; V374-L377 PolarHBondContact O-N 2.92Å; E375-L377 VanDerWaalsContact C-N 3.29Å; E375-L377 PolarHBondContact O-N 2.85Å; L377-S381 VanDerWaalsContact O-CB 3.29Å; L377-S381 WeakPolarHBondContact O-CB 3.44Å; L377-S381 PolarHBondContact O-N 2.92Å
378K79.4Confident76.1Confident117 Ų11798.5 Ų98.551%0.50949%0.486SS..Hα-helixtrans-64.8-45171.2-64.2173.6-161.5157.80111.4V374 E375 S381 S382V374-K378 WeakPolarHBondContact O-CG 3.29Å; V374-K378 PolarHBondContact O-N 3.02Å; E375-K378 WeakPolarHBondContact O-CB 3.42Å; E375-K378 PolarHBondContact O-N 2.71Å; E375-K378 VanDerWaalsContact O-N 3.09Å; E375-K378 WeakPolarHBondContact OE1-CD 3.45Å; E375-K378 IonicContact OE1-NZ 3.18Å; E375-K378 PolarHBondContact OE1-NZ 3.21Å; E375-K378 IonicContact OE2-NZ 2.74Å; K378-S381 WeakPolarHBondContact O-CB 3.33Å; K378-S381 PolarHBondContact O-N 3.48Å; K378-S382 PolarHBondContact O-N 3.26Å
379E77.6Confident76.1Confident119 Ų119101.8 Ų101.856%0.55650%0.496SS*.Hα-helixtrans-57.6-52.6176.6-71.5177.3165.600111.1E375 K376 S381 S382 V383E375-E379 PolarHBondContact O-N 3.46Å; K376-E379 PolarHBondContact O-N 3.44Å; E379-S381 VanDerWaalsContact C-N 3.32Å; E379-S381 PolarHBondContact O-N 3.3Å; E379-S382 WeakPolarHBondContact O-CB 3.48Å; E379-S382 PolarHBondContact O-N 3.49Å; E379-S382 PolarHBondContact O-OG 3.04Å; E379-V383 WeakPolarHBondContact O-CG2 3.49Å; E379-V383 PolarHBondContact O-N 3Å
380N77.7Confident76Confident94 Ų9497.3 Ų97.350%0.50348%0.481SS..Hα-helixtrans-59-40.4176.5-74-28.8000112.3K376 S382 V383 L384K376-N380 WeakPolarHBondContact O-CB 3.48Å; K376-N380 VanDerWaalsContact O-CG 3.26Å; K376-N380 PolarHBondContact O-N 3.01Å; K376-N380 PolarHBondContact O-ND2 3.27Å; N380-S382 VanDerWaalsContact C-N 3.34Å; N380-S382 PolarHBondContact O-N 3.35Å; N380-V383 PolarHBondContact O-N 3.01Å; N380-L384 WeakPolarHBondContact O-CG 3.45Å; N380-L384 PolarHBondContact O-N 2.93Å
381S73.9Confident76.1Confident57 Ų5798.4 Ų98.440%0.39949%0.487SS..Hα-helixtrans-61.5-41.9174-1660000111.7L377 K378 E379 V383 L384 Q385L377-S381 VanDerWaalsContact O-CB 3.29Å; L377-S381 WeakPolarHBondContact O-CB 3.44Å; L377-S381 PolarHBondContact O-N 2.92Å; K378-S381 WeakPolarHBondContact O-CB 3.33Å; K378-S381 PolarHBondContact O-N 3.48Å; E379-S381 VanDerWaalsContact C-N 3.32Å; E379-S381 PolarHBondContact O-N 3.3Å; S381-V383 VanDerWaalsContact C-N 3.32Å; S381-V383 PolarHBondContact O-N 3.41Å; S381-L384 PolarHBondContact O-N 2.76Å; S381-Q385 WeakPolarHBondContact O-CB 3.36Å; S381-Q385 WeakPolarHBondContact O-CG 3.19Å; S381-Q385 PolarHBondContact O-N 3Å
382S75.2Confident76Confident47 Ų47101.8 Ų101.833%0.32950%0.495SS..Hα-helixtrans-64.5-34.4176.686.90000113.1K378 E379 N380 R386K378-S382 PolarHBondContact O-N 3.26Å; E379-S382 WeakPolarHBondContact O-CB 3.48Å; E379-S382 PolarHBondContact O-N 3.49Å; E379-S382 PolarHBondContact O-OG 3.04Å; N380-S382 VanDerWaalsContact C-N 3.34Å; N380-S382 PolarHBondContact O-N 3.35Å; S382-R386 WeakPolarHBondContact O-CG 3.37Å; S382-R386 PolarHBondContact O-N 3.36Å; S382-R386 VanDerWaalsContact O-N 3.13Å; S382-R386 PolarHBondContact O-NE 3.14Å; S382-R386 VanDerWaalsContact O-NE 3.15Å; S382-R386 PolarHBondContact OG-NH2 3.44Å
383V75.9Confident75.8Confident61 Ų6198.3 Ų98.337%0.3749%0.487SS..Hα-helixtrans-70.7-48.2176.2173.40000109.6E379 N380 S381 Q385 R386 M387E379-V383 WeakPolarHBondContact O-CG2 3.49Å; E379-V383 PolarHBondContact O-N 3Å; N380-V383 PolarHBondContact O-N 3.01Å; S381-V383 VanDerWaalsContact C-N 3.32Å; S381-V383 PolarHBondContact O-N 3.41Å; V383-Q385 VanDerWaalsContact C-N 3.34Å; V383-Q385 PolarHBondContact O-N 2.86Å; V383-R386 PolarHBondContact O-N 3.32Å; V383-R386 VanDerWaalsContact O-N 3.15Å; V383-M387 HydrophobicContact CG1-CG 4.41Å; V383-M387 HydrophobicContact CG1-SD 3.99Å; V383-M387 WeakPolarHBondContact O-CG 3.37Å; V383-M387 PolarHBondContact O-N 3.13Å
384L72.6Confident75.7Confident117 Ų11799.3 Ų99.361%0.61349%0.492SS*.Hα-helixtrans-61.2-39.3176.9-71.6171.5000112.5N380 S381 M387 N388N380-L384 WeakPolarHBondContact O-CG 3.45Å; N380-L384 PolarHBondContact O-N 2.93Å; S381-L384 PolarHBondContact O-N 2.76Å; L384-M387 PolarHBondContact O-N 3.48Å; L384-N388 WeakPolarHBondContact O-CB 3.27Å; L384-N388 PolarHBondContact O-N 2.99Å
385Q74.2Confident75.7Confident123 Ų123101 Ų10158%0.57550%0.498SS*.Hα-helixtrans-64.5-39.6174.2-75.4-177.414.100112.5S381 V383 K389S381-Q385 WeakPolarHBondContact O-CB 3.36Å; S381-Q385 WeakPolarHBondContact O-CG 3.19Å; S381-Q385 PolarHBondContact O-N 3Å; V383-Q385 VanDerWaalsContact C-N 3.34Å; V383-Q385 PolarHBondContact O-N 2.86Å; Q385-K389 WeakPolarHBondContact O-CG 3.46Å; Q385-K389 PolarHBondContact O-N 3.23Å; Q385-K389 VanDerWaalsContact O-N 3.11Å
386R75.1Confident75.7Confident154 Ų154101.5 Ų101.558%0.58150%0.503SS*.Hα-helixtrans-64.6-50.8174.1-79.2179.8-76.6164.1-9.4111.2S382 V383 N388 K389 T390S382-R386 WeakPolarHBondContact O-CG 3.37Å; S382-R386 PolarHBondContact O-N 3.36Å; S382-R386 VanDerWaalsContact O-N 3.13Å; S382-R386 PolarHBondContact O-NE 3.14Å; S382-R386 VanDerWaalsContact O-NE 3.15Å; S382-R386 PolarHBondContact OG-NH2 3.44Å; V383-R386 PolarHBondContact O-N 3.32Å; V383-R386 VanDerWaalsContact O-N 3.15Å; R386-N388 VanDerWaalsContact C-N 3.29Å; R386-N388 PolarHBondContact O-N 3.27Å; R386-K389 WeakPolarHBondContact O-CB 3.34Å; R386-K389 PolarHBondContact O-N 2.94Å; R386-T390 PolarHBondContact O-N 3.35Å; R386-T390 PolarHBondContact O-OG1 3.07Å
387M76.2Confident75.6Confident107 Ų10799.7 Ų99.753%0.52750%0.502SS..Hα-helixtrans-57.1-40.2176.3-68.9176.670.900112.4V383 L384 T390 L391V383-M387 HydrophobicContact CG1-CG 4.41Å; V383-M387 HydrophobicContact CG1-SD 3.99Å; V383-M387 WeakPolarHBondContact O-CG 3.37Å; V383-M387 PolarHBondContact O-N 3.13Å; L384-M387 PolarHBondContact O-N 3.48Å; M387-T390 PolarHBondContact O-N 3.11Å; M387-L391 WeakPolarHBondContact O-CB 3.49Å; M387-L391 WeakPolarHBondContact O-CG 3.28Å; M387-L391 PolarHBondContact O-N 3.38Å
388N75.3Confident75.5Confident79 Ų7996.9 Ų96.942%0.42250%0.496SS..Hα-helixtrans-67.1-35.3177.4-158-84.7000112.3L384 R386 R392L384-N388 WeakPolarHBondContact O-CB 3.27Å; L384-N388 PolarHBondContact O-N 2.99Å; R386-N388 VanDerWaalsContact C-N 3.29Å; R386-N388 PolarHBondContact O-N 3.27Å; N388-R392 VanDerWaalsContact O-CG 3.26Å; N388-R392 WeakPolarHBondContact O-CG 3.4Å; N388-R392 PolarHBondContact O-N 2.88Å; N388-R392 VanDerWaalsContact O-N 3.16Å; N388-R392 PolarHBondContact OD1-NE 2.99Å; N388-R392 PolarHBondContact OD1-NH2 3.48Å
389K78.2Confident75.2Confident159 Ų15996.8 Ų96.869%0.69150%0.497SS*.Hα-helixtrans-65.3-45.3172.4-75.2179.9178.1-175.80111.5Q385 R386 R392 S393Q385-K389 WeakPolarHBondContact O-CG 3.46Å; Q385-K389 PolarHBondContact O-N 3.23Å; Q385-K389 VanDerWaalsContact O-N 3.11Å; R386-K389 WeakPolarHBondContact O-CB 3.34Å; R386-K389 PolarHBondContact O-N 2.94Å; K389-R392 PolarHBondContact O-N 3.44Å; K389-S393 PolarHBondContact O-N 3.44Å
390T75.8Confident75.1Confident46 Ų46100.7 Ų100.728%0.28251%0.506SS..Hα-helixtrans-61.6-50.5177.1-50.30000111.4R386 M387 R392 S393 D394R386-T390 PolarHBondContact O-N 3.35Å; R386-T390 PolarHBondContact O-OG1 3.07Å; M387-T390 PolarHBondContact O-N 3.11Å; T390-R392 PolarHBondContact O-N 3.01Å; T390-R392 VanDerWaalsContact O-N 3.11Å; T390-S393 WeakPolarHBondContact CA-OG 3.44Å; T390-S393 PolarHBondContact O-N 3.2Å; T390-S393 PolarHBondContact O-OG 3.37Å; T390-D394 PolarHBondContact O-N 2.98Å; T390-D394 VanDerWaalsContact O-OD1 3.06Å
391L75Confident74.8Confident103 Ų10398.2 Ų98.254%0.53950%0.496SS..Hα-helixtrans-57.5-32.5176.9-72.1168.9000113M387 L395M387-L391 WeakPolarHBondContact O-CB 3.49Å; M387-L391 WeakPolarHBondContact O-CG 3.28Å; M387-L391 PolarHBondContact O-N 3.38Å; L391-L395 WeakPolarHBondContact O-CB 3.36Å; L391-L395 WeakPolarHBondContact O-CD1 3.49Å; L391-L395 VanDerWaalsContact O-CG 3.32Å; L391-L395 WeakPolarHBondContact O-CG 3.42Å; L391-L395 PolarHBondContact O-N 3.28Å
392R75.4Confident74.5Confident166 Ų16698.2 Ų98.263%0.62650%0.499SS*.Hα-helixtrans-73.4-38.1174-73.6175.3-171.5-153.3-2.5113.3N388 K389 T390 D394 L396N388-R392 VanDerWaalsContact O-CG 3.26Å; N388-R392 WeakPolarHBondContact O-CG 3.4Å; N388-R392 PolarHBondContact O-N 2.88Å; N388-R392 VanDerWaalsContact O-N 3.16Å; N388-R392 PolarHBondContact OD1-NE 2.99Å; N388-R392 PolarHBondContact OD1-NH2 3.48Å; K389-R392 PolarHBondContact O-N 3.44Å; T390-R392 PolarHBondContact O-N 3.01Å; T390-R392 VanDerWaalsContact O-N 3.11Å; R392-D394 VanDerWaalsContact C-N 3.35Å; R392-L396 VanDerWaalsContact O-CG 3.31Å; R392-L396 WeakPolarHBondContact O-CG 3.48Å; R392-L396 PolarHBondContact O-N 3.43Å; R392-L396 VanDerWaalsContact O-N 3.15Å
393S75.9Confident74.5Confident54 Ų54101.3 Ų101.338%0.37851%0.512SS..Hα-helixtrans-64.9-43.3173.351.50000110.9K389 T390 L395 L396 V397K389-S393 PolarHBondContact O-N 3.44Å; T390-S393 WeakPolarHBondContact CA-OG 3.44Å; T390-S393 PolarHBondContact O-N 3.2Å; T390-S393 PolarHBondContact O-OG 3.37Å; S393-L395 PolarHBondContact O-N 3.45Å; S393-L396 PolarHBondContact O-N 2.92Å; S393-L396 VanDerWaalsContact O-N 3.17Å; S393-V397 WeakPolarHBondContact O-CG2 3.46Å; S393-V397 PolarHBondContact O-N 2.95Å
394D74.1Confident74.4Confident82 Ų82101.8 Ų101.844%0.43951%0.51SS..Hα-helixtrans-67.4-39.1-176.3-55.3-6000110.7T390 R392 V397 A398T390-D394 PolarHBondContact O-N 2.98Å; T390-D394 VanDerWaalsContact O-OD1 3.06Å; R392-D394 VanDerWaalsContact C-N 3.35Å; D394-V397 PolarHBondContact O-N 3.34Å; D394-A398 WeakPolarHBondContact O-CB 3.37Å; D394-A398 PolarHBondContact O-N 3.06Å
395L74.1Confident74.2Confident108 Ų108100.6 Ų100.657%0.56550%0.504SS*.Hα-helixtrans-60.3-45.1170.4-85.4164.2000112.6L391 S393 V397 A398 E399L391-L395 WeakPolarHBondContact O-CB 3.36Å; L391-L395 WeakPolarHBondContact O-CD1 3.49Å; L391-L395 VanDerWaalsContact O-CG 3.32Å; L391-L395 WeakPolarHBondContact O-CG 3.42Å; L391-L395 PolarHBondContact O-N 3.28Å; S393-L395 PolarHBondContact O-N 3.45Å; L395-V397 VanDerWaalsContact C-N 3.32Å; L395-V397 PolarHBondContact O-N 3.29Å; L395-A398 PolarHBondContact O-N 3.18Å; L395-E399 WeakPolarHBondContact O-CG 3.45Å; L395-E399 PolarHBondContact O-N 3.2Å
396L76.1Confident74.1Confident107 Ų107101.1 Ų101.156%0.5651%0.506SS*.Hα-helixtrans-66.2-33.6178.5-72.6169.3000112.7R392 S393 R400R392-L396 VanDerWaalsContact O-CG 3.31Å; R392-L396 WeakPolarHBondContact O-CG 3.48Å; R392-L396 PolarHBondContact O-N 3.43Å; R392-L396 VanDerWaalsContact O-N 3.15Å; S393-L396 PolarHBondContact O-N 2.92Å; S393-L396 VanDerWaalsContact O-N 3.17Å; L396-R400 PolarHBondContact O-N 3.48Å; L396-R400 VanDerWaalsContact O-N 3.09Å
397V77.1Confident74.1Confident78 Ų78100.3 Ų100.347%0.47350%0.503SS..Hα-helixtrans-68-45171.91730000110.3S393 D394 L395 E399 R400 C401S393-V397 WeakPolarHBondContact O-CG2 3.46Å; S393-V397 PolarHBondContact O-N 2.95Å; D394-V397 PolarHBondContact O-N 3.34Å; L395-V397 VanDerWaalsContact C-N 3.32Å; L395-V397 PolarHBondContact O-N 3.29Å; V397-E399 PolarHBondContact O-N 3.03Å; V397-R400 PolarHBondContact O-N 2.95Å; V397-C401 WeakPolarHBondContact O-CB 3.47Å; V397-C401 PolarHBondContact O-N 3.36Å; V397-C401 PolarHBondContact O-SG 2.95Å; V397-C401 VanDerWaalsContact O-SG 3.36Å
398A71.6Confident73.3Confident57 Ų5795.7 Ų95.747%0.47148%0.481SS..Hα-helixtrans-61.6-42.9176.800000112.6D394 L395 C401 A402D394-A398 WeakPolarHBondContact O-CB 3.37Å; D394-A398 PolarHBondContact O-N 3.06Å; L395-A398 PolarHBondContact O-N 3.18Å; A398-C401 PolarHBondContact O-N 2.86Å; A398-A402 WeakPolarHBondContact O-CB 3.46Å; A398-A402 PolarHBondContact O-N 2.96Å
399E73.3Confident72.9Confident114 Ų11499.2 Ų99.253%0.53350%0.497SS..Hα-helixtrans-61.5-44.6174.3-76.4-178.9165.900111.9L395 V397 A402 L403L395-E399 WeakPolarHBondContact O-CG 3.45Å; L395-E399 PolarHBondContact O-N 3.2Å; V397-E399 PolarHBondContact O-N 3.03Å; E399-A402 PolarHBondContact O-N 3.38Å; E399-L403 WeakPolarHBondContact O-CB 3.49Å; E399-L403 WeakPolarHBondContact O-CG 3.49Å; E399-L403 PolarHBondContact O-N 3.04Å
400R73.9Confident72.4Confident201 Ų20195.8 Ų95.876%0.75850%0.498SS*.Hα-helixtrans-60.3-46.6173.9-84.1-176.1168.9-167.3-2.5112.2L396 V397 A402 L403 E404L396-R400 PolarHBondContact O-N 3.48Å; L396-R400 VanDerWaalsContact O-N 3.09Å; V397-R400 PolarHBondContact O-N 2.95Å; R400-A402 VanDerWaalsContact C-N 3.32Å; R400-A402 PolarHBondContact O-N 3.39Å; R400-L403 PolarHBondContact O-N 3.07Å; R400-E404 WeakPolarHBondContact O-CB 3.46Å; R400-E404 PolarHBondContact O-N 3.15Å
401C71Confident71.7Confident42 Ų4298.1 Ų98.128%0.28451%0.506SS..Hα-helixtrans-63-38.3178.1-72.90000112.2V397 A398 L405 M426V397-C401 WeakPolarHBondContact O-CB 3.47Å; V397-C401 PolarHBondContact O-N 3.36Å; V397-C401 PolarHBondContact O-SG 2.95Å; V397-C401 VanDerWaalsContact O-SG 3.36Å; A398-C401 PolarHBondContact O-N 2.86Å; C401-L405 WeakPolarHBondContact O-CB 3.5Å; C401-L405 WeakPolarHBondContact O-CG 3.48Å; C401-L405 PolarHBondContact O-N 2.78Å; C401-M426 HydrophobicContact CB-CE 4.37Å
402A69.6Low70.6Confident57 Ų5795 Ų9547%0.47149%0.49SS..Hα-helixtrans-66.7-43.6175.900000112.3A398 E399 R400 L405 Q406A398-A402 WeakPolarHBondContact O-CB 3.46Å; A398-A402 PolarHBondContact O-N 2.96Å; E399-A402 PolarHBondContact O-N 3.38Å; R400-A402 VanDerWaalsContact C-N 3.32Å; R400-A402 PolarHBondContact O-N 3.39Å; A402-L405 PolarHBondContact O-N 3.09Å; A402-Q406 WeakPolarHBondContact O-CB 3.37Å; A402-Q406 PolarHBondContact O-N 2.86Å
403L74.9Confident69.5Low113 Ų11391 Ų9159%0.59250%0.499SS*.Hα-helixtrans-64.8-41.3175.9-72.4170.1000112.1E399 R400 Q406 R407E399-L403 WeakPolarHBondContact O-CB 3.49Å; E399-L403 WeakPolarHBondContact O-CG 3.49Å; E399-L403 PolarHBondContact O-N 3.04Å; R400-L403 PolarHBondContact O-N 3.07Å; L403-Q406 PolarHBondContact O-N 2.86Å; L403-R407 WeakPolarHBondContact O-CB 3.46Å; L403-R407 PolarHBondContact O-N 2.73Å
404E72.7Confident68.3Low70 Ų7093.4 Ų93.433%0.32752%0.516SS..Hα-helixtrans-69.4-37.4177.2-165.165.5-167.900111.4R400 R407 L408R400-E404 WeakPolarHBondContact O-CB 3.46Å; R400-E404 PolarHBondContact O-N 3.15Å; E404-R407 PolarHBondContact O-N 3.17Å; E404-L408 HydrophobicContact CG-CD1 4.34Å; E404-L408 WeakPolarHBondContact O-CB 3.48Å; E404-L408 VanDerWaalsContact O-CG 3.23Å; E404-L408 WeakPolarHBondContact O-CG 3.41Å; E404-L408 PolarHBondContact O-N 3.13Å
405L68.6Low67.4Low93 Ų9395.7 Ų95.749%0.48752%0.522SS..Hα-helixtrans-60.3-45.6169.9-85.3163.5000111.9C401 A402 R407 L408 M409C401-L405 WeakPolarHBondContact O-CB 3.5Å; C401-L405 WeakPolarHBondContact O-CG 3.48Å; C401-L405 PolarHBondContact O-N 2.78Å; A402-L405 PolarHBondContact O-N 3.09Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 3.45Å; L405-L408 PolarHBondContact O-N 3.3Å; L405-M409 WeakPolarHBondContact O-CB 3.37Å; L405-M409 WeakPolarHBondContact O-CG 3.39Å; L405-M409 PolarHBondContact O-N 3.07Å
406Q73.3Confident66.6Low134 Ų13499.8 Ų99.863%0.62654%0.536SS*.Hα-helixtrans-63.2-39.8177.6-170175.58.400111.5A402 L403 A410A402-Q406 WeakPolarHBondContact O-CB 3.37Å; A402-Q406 PolarHBondContact O-N 2.86Å; L403-Q406 PolarHBondContact O-N 2.86Å; Q406-A410 PolarHBondContact O-N 3.06Å; Q406-A410 VanDerWaalsContact O-N 3.1Å
407R73.9Confident65.7Low136 Ų13698.5 Ų98.551%0.51354%0.536SS..Hα-helixtrans-63-48.7172.7-177.2-175.5178.9156.39.2112L403 E404 L405 M409 A410 E411L403-R407 WeakPolarHBondContact O-CB 3.46Å; L403-R407 PolarHBondContact O-N 2.73Å; E404-R407 PolarHBondContact O-N 3.17Å; L405-R407 VanDerWaalsContact C-N 3.32Å; L405-R407 PolarHBondContact O-N 3.45Å; R407-M409 VanDerWaalsContact C-N 3.32Å; R407-M409 PolarHBondContact O-N 2.97Å; R407-A410 PolarHBondContact O-N 3.42Å; R407-A410 VanDerWaalsContact O-N 3.11Å; R407-E411 HydrophobicContact CG-CG 4.34Å; R407-E411 IonicContact CZ-OE1 3.44Å; R407-E411 VanDerWaalsContact CZ-OE1 3.24Å; R407-E411 IonicContact NE-OE1 2.72Å; R407-E411 PolarHBondContact NE-OE1 2.95Å; R407-E411 IonicContact NE-OE2 3.24Å; R407-E411 IonicContact NH2-OE1 2.82Å; R407-E411 PolarHBondContact NH2-OE1 2.96Å; R407-E411 PolarHBondContact O-N 3.29Å
408L60.6Low64.8Low10 Ų1097.3 Ų97.35%0.05253%0.528CS..Hα-helixtrans-63.4-37.5179.5-73.1170.1000112E404 L405 A410 N412 L419 M426E404-L408 HydrophobicContact CG-CD1 4.34Å; E404-L408 WeakPolarHBondContact O-CB 3.48Å; E404-L408 VanDerWaalsContact O-CG 3.23Å; E404-L408 WeakPolarHBondContact O-CG 3.41Å; E404-L408 PolarHBondContact O-N 3.13Å; L405-L408 PolarHBondContact O-N 3.3Å; L408-A410 VanDerWaalsContact C-N 3.34Å; L408-N412 WeakPolarHBondContact O-CB 3.47Å; L408-N412 PolarHBondContact O-N 2.85Å; L408-L419 HydrophobicContact CB-CD2 4.48Å; L408-M426 HydrophobicContact CD1-SD 4.21Å
409M65.1Low64.2Low154 Ų15498.3 Ų98.376%0.75953%0.525SS*.Hα-helixtrans-63.1-37.3172.3-76.9175.967.600112.5L405 R407L405-M409 WeakPolarHBondContact O-CB 3.37Å; L405-M409 WeakPolarHBondContact O-CG 3.39Å; L405-M409 PolarHBondContact O-N 3.07Å; R407-M409 VanDerWaalsContact C-N 3.32Å; R407-M409 PolarHBondContact O-N 2.97Å
410A67.6Low63.6Low87 Ų8795.8 Ų95.872%0.71952%0.524SS*.Hα-helixtrans-74.4-39.1176.600000113Q406 R407 L408Q406-A410 PolarHBondContact O-N 3.06Å; Q406-A410 VanDerWaalsContact O-N 3.1Å; R407-A410 PolarHBondContact O-N 3.42Å; R407-A410 VanDerWaalsContact O-N 3.11Å; L408-A410 VanDerWaalsContact C-N 3.34Å
411E62.4Low63.1Low95 Ų9592 Ų9244%0.44452%0.519SS..Hα-helixtrans-81.7-30.4-176.3-72.1-179.417300114R407R407-E411 HydrophobicContact CG-CG 4.34Å; R407-E411 IonicContact CZ-OE1 3.44Å; R407-E411 VanDerWaalsContact CZ-OE1 3.24Å; R407-E411 IonicContact NE-OE1 2.72Å; R407-E411 PolarHBondContact NE-OE1 2.95Å; R407-E411 IonicContact NE-OE2 3.24Å; R407-E411 IonicContact NH2-OE1 2.82Å; R407-E411 PolarHBondContact NH2-OE1 2.96Å; R407-E411 PolarHBondContact O-N 3.29Å
412N51.9Low62.5Low38 Ų3895.3 Ų95.320%0.20353%0.526CS..  trans-121.642.9-164.5-68.6-75.7000115.6L408 S414L408-N412 WeakPolarHBondContact O-CB 3.47Å; L408-N412 PolarHBondContact O-N 2.85Å; N412-S414 PolarHBondContact O-N 2.87Å
413G52Low62.2Low81 Ų81100 Ų10084%0.83554%0.535SS*.THydrogen-bonded Turntrans-61.718.1175.800000117.3
414S49.7Very low61.9Low105 Ų105101.2 Ų101.273%0.73454%0.536SS*.THydrogen-bonded Turntrans-152.2-5-177.558.40000118.2N412N412-S414 PolarHBondContact O-N 2.87Å
415K56.3Low61.6Low129 Ų129101.7 Ų101.756%0.56154%0.54SS*.  trans-132.493-173.1-67.6-175.7-178.1176.20114.6S417 V418K415-S417 VanDerWaalsContact C-N 3.3Å; K415-S417 PolarHBondContact O-N 3.29Å; K415-V418 HydrophobicContact CB-CG2 4.14Å; K415-V418 PolarHBondContact O-N 2.83Å
416K57.2Low61.2Low195 Ų19599.9 Ų99.985%0.84853%0.53SS*.Hα-helixtrans-59.5-29.1178.2-77.9-175.5174.9-179.50115L419K416-L419 PolarHBondContact O-N 3.32Å
417S56.8Low60.6Low80 Ų8098.8 Ų98.856%0.55953%0.528SS*.Hα-helixtrans-66.3-44.2-179.449.70000112.5K415 L419 A420 D421K415-S417 VanDerWaalsContact C-N 3.3Å; K415-S417 PolarHBondContact O-N 3.29Å; S417-L419 PolarHBondContact O-N 2.79Å; S417-A420 WeakPolarHBondContact O-CB 3.41Å; S417-A420 PolarHBondContact O-N 2.72Å; S417-D421 PolarHBondContact O-N 3.48Å
418V58.5Low60Low53 Ų5396.3 Ų96.332%0.32153%0.525SS..Hα-helixtrans-60.9-32.3-179.9-177.60000111.7K415 R422K415-V418 HydrophobicContact CB-CG2 4.14Å; K415-V418 PolarHBondContact O-N 2.83Å; V418-R422 WeakPolarHBondContact O-CB 3.32Å; V418-R422 PolarHBondContact O-N 3.3Å
419L58.4Low59.9Low77 Ų77102.3 Ų102.340%0.40355%0.551SS.*Hα-helixtrans-70-27.8175.6-77.4164.8000113.3L408 K416 S417 K423L408-L419 HydrophobicContact CB-CD2 4.48Å; K416-L419 PolarHBondContact O-N 3.32Å; S417-L419 PolarHBondContact O-N 2.79Å; L419-K423 WeakPolarHBondContact O-CB 3.39Å; L419-K423 PolarHBondContact O-N 2.75Å
420A62.2Low59.4Low61 Ų6197.9 Ų97.950%0.50454%0.539SS..Hα-helixtrans-73-50.9179.400000111.1S417 K423 K424S417-A420 WeakPolarHBondContact O-CB 3.41Å; S417-A420 PolarHBondContact O-N 2.72Å; A420-K423 PolarHBondContact O-N 2.99Å; A420-K424 PolarHBondContact O-N 2.98Å; A420-K424 VanDerWaalsContact O-N 3.11Å
421D62.3Low58.5Low123 Ų12397.9 Ų97.966%0.65853%0.53SS*.Hα-helixtrans-64.6-43.4-179.1-60.3-35.3000111.3S417 K423 K424 D425S417-D421 PolarHBondContact O-N 3.48Å; D421-K423 PolarHBondContact O-N 2.87Å; D421-K424 WeakPolarHBondContact O-CB 3.28Å; D421-K424 PolarHBondContact O-N 2.91Å; D421-D425 PolarHBondContact O-N 3.07Å
422R59.7Low57.6Low111 Ų11199.8 Ų99.842%0.41954%0.543SS..Hα-helixtrans-69.4-28.2174.7-97.7175.2162.3172.8-10114.1V418 K424 D425 M426V418-R422 WeakPolarHBondContact O-CB 3.32Å; V418-R422 PolarHBondContact O-N 3.3Å; R422-K424 VanDerWaalsContact C-N 3.32Å; R422-D425 PolarHBondContact O-N 3.45Å; R422-M426 WeakPolarHBondContact O-CB 3.25Å; R422-M426 WeakPolarHBondContact O-CG 3.49Å; R422-M426 PolarHBondContact O-N 2.92Å
423K63.1Low57.1Low154 Ų154101.9 Ų101.967%0.6756%0.557SS**Hα-helixtrans-69.3-34174-174.3177.9-176-174.30111.1L419 A420 D421 L427L419-K423 WeakPolarHBondContact O-CB 3.39Å; L419-K423 PolarHBondContact O-N 2.75Å; A420-K423 PolarHBondContact O-N 2.99Å; D421-K423 PolarHBondContact O-N 2.87Å; K423-L427 WeakPolarHBondContact O-CB 3.44Å; K423-L427 PolarHBondContact O-N 3.03Å
424K68.4Low56.5Low140 Ų140101 Ų10161%0.60954%0.536SS*.Hα-helixtrans-64.5-51169.2-172.4178.6177.6-176.40110.7A420 D421 R422 M426 L427 D428A420-K424 PolarHBondContact O-N 2.98Å; A420-K424 VanDerWaalsContact O-N 3.11Å; D421-K424 WeakPolarHBondContact O-CB 3.28Å; D421-K424 PolarHBondContact O-N 2.91Å; R422-K424 VanDerWaalsContact C-N 3.32Å; K424-M426 VanDerWaalsContact C-N 3.26Å; K424-M426 PolarHBondContact O-N 3.42Å; K424-L427 WeakPolarHBondContact O-CA 3.44Å; K424-L427 WeakPolarHBondContact O-CB 3.45Å; K424-L427 PolarHBondContact O-N 3.05Å; K424-D428 VanDerWaalsContact O-CG 3.26Å; K424-D428 PolarHBondContact O-N 3.36Å
425D64.8Low56.1Low79 Ų79105.5 Ų105.542%0.42255%0.546SS..Hα-helixtrans-58-33.4177.8-141.760.7000113.6D421 R422 K429D421-D425 PolarHBondContact O-N 3.07Å; R422-D425 PolarHBondContact O-N 3.45Å; D425-K429 WeakPolarHBondContact O-CB 3.38Å; D425-K429 WeakPolarHBondContact O-CD 3.28Å; D425-K429 VanDerWaalsContact O-CG 3.26Å; D425-K429 WeakPolarHBondContact O-CG 3.5Å; D425-K429 PolarHBondContact O-N 2.69Å; D425-K429 IonicContact OD2-NZ 2.75Å; D425-K429 PolarHBondContact OD2-NZ 3.04Å
426M60.2Low55.7Low55 Ų55108 Ų10827%0.27155%0.552SS.*Hα-helixtrans-77.4-34.2172.3-81.3-177.661.100113.4C401 L408 R422 K424 A430C401-M426 HydrophobicContact CB-CE 4.37Å; L408-M426 HydrophobicContact CD1-SD 4.21Å; R422-M426 WeakPolarHBondContact O-CB 3.25Å; R422-M426 WeakPolarHBondContact O-CG 3.49Å; R422-M426 PolarHBondContact O-N 2.92Å; K424-M426 VanDerWaalsContact C-N 3.26Å; K424-M426 PolarHBondContact O-N 3.42Å; M426-A430 VanDerWaalsContact O-CB 3.23Å; M426-A430 WeakPolarHBondContact O-CB 3.36Å; M426-A430 PolarHBondContact O-N 3.29Å
427L61.7Low55Low111 Ų111103.6 Ų103.658%0.58154%0.537SS*.Hα-helixtrans-66.9-47.6175.3-150.777.3000109.5K423 K424 K429 A430 T431K423-L427 WeakPolarHBondContact O-CB 3.44Å; K423-L427 PolarHBondContact O-N 3.03Å; K424-L427 WeakPolarHBondContact O-CA 3.44Å; K424-L427 WeakPolarHBondContact O-CB 3.45Å; K424-L427 PolarHBondContact O-N 3.05Å; L427-K429 VanDerWaalsContact C-N 3.27Å; L427-K429 PolarHBondContact O-N 2.93Å; L427-A430 CarbonylContact O-C 3.59Å; L427-A430 WeakPolarHBondContact O-CA 3.5Å; L427-A430 PolarHBondContact O-N 2.97Å; L427-T431 WeakPolarHBondContact O-CG2 3.39Å; L427-T431 PolarHBondContact O-N 3.34Å; L427-T431 PolarHBondContact O-OG1 2.79Å
428D60.2Low53.9Low85 Ų85104.8 Ų104.846%0.45555%0.545SS..Hα-helixtrans-60-36.5179.3-63.9-17.7000111.2K424 T431K424-D428 VanDerWaalsContact O-CG 3.26Å; K424-D428 PolarHBondContact O-N 3.36Å; D428-T431 WeakPolarHBondContact CA-OG1 3.48Å; D428-T431 PolarHBondContact O-OG1 3.46Å
429K59.1Low52.7Low135 Ų135110.1 Ų110.159%0.58757%0.571SS**Hα-helixtrans-79.8-18.2172.9-71.2168.3-170.3156.10115.1D425 L427D425-K429 WeakPolarHBondContact O-CB 3.38Å; D425-K429 WeakPolarHBondContact O-CD 3.28Å; D425-K429 VanDerWaalsContact O-CG 3.26Å; D425-K429 WeakPolarHBondContact O-CG 3.5Å; D425-K429 PolarHBondContact O-N 2.69Å; D425-K429 IonicContact OD2-NZ 2.75Å; D425-K429 PolarHBondContact OD2-NZ 3.04Å; L427-K429 VanDerWaalsContact C-N 3.27Å; L427-K429 PolarHBondContact O-N 2.93Å
430A55.4Low51.5Low62 Ų62117.4 Ų117.451%0.51259%0.593SS.*Hα-helixtrans-89.8-16.317300000112.1M426 L427 D432M426-A430 VanDerWaalsContact O-CB 3.23Å; M426-A430 WeakPolarHBondContact O-CB 3.36Å; M426-A430 PolarHBondContact O-N 3.29Å; L427-A430 CarbonylContact O-C 3.59Å; L427-A430 WeakPolarHBondContact O-CA 3.5Å; L427-A430 PolarHBondContact O-N 2.97Å; A430-D432 VanDerWaalsContact C-N 3.35Å
431T48.9Very low50.3Low87 Ų87121.7 Ų121.753%0.53460%0.6SS.*  trans-90.811.7172.151.60000114.1L427 D428 V433L427-T431 WeakPolarHBondContact O-CG2 3.39Å; L427-T431 PolarHBondContact O-N 3.34Å; L427-T431 PolarHBondContact O-OG1 2.79Å; D428-T431 WeakPolarHBondContact CA-OG1 3.48Å; D428-T431 PolarHBondContact O-OG1 3.46Å; T431-V433 PolarHBondContact O-N 3.05Å
432D42.5Very low48.8Very low134 Ų134123 Ų12372%0.71760%0.603SS**  trans-6677.6157.9-90-24000108.8A430A430-D432 VanDerWaalsContact C-N 3.35Å
433V42.1Very low47.8Very low82 Ų82123.6 Ų123.650%0.49762%0.624SS.*  trans-57.4127.1174.6174.50000107.8T431 E435 I437T431-V433 PolarHBondContact O-N 3.05Å; V433-E435 PolarHBondContact O-N 3.04Å; V433-I437 HydrophobicContact CG1-CB 3.85Å; V433-I437 HydrophobicContact CG1-CD1 4.21Å; V433-I437 HydrophobicContact CG1-CG1 4.46Å; V433-I437 HydrophobicContact CG1-CG2 4.21Å
434P40.1Very low46.4Very low62 Ų62125.3 Ų125.340%0.40363%0.634SS.*  trans-50131175.7-30.937.2000111.9W436 I437P434-W436 PolarHBondContact O-N 3.49Å; P434-I437 PolarHBondContact O-N 3.43Å
435E39.3Very low44.6Very low201 Ų201129.4 Ų129.494%0.93965%0.647SS**THydrogen-bonded Turntrans-55.21.6-164.1-146.6175.5-171.600116.8V433V433-E435 PolarHBondContact O-N 3.04Å
436W49.2Very low43.3Very low181 Ų181131.4 Ų131.469%0.68667%0.665SS**THydrogen-bonded Turntrans-108.53.5-174.856.8-86.1000114.8P434P434-W436 PolarHBondContact O-N 3.49Å
437I41.4Very low41.8Very low102 Ų102134 Ų13452%0.52370%0.695SS.*SBendtrans-99.9-18.3-178-65.8179.4000113.7V433 P434V433-I437 HydrophobicContact CG1-CB 3.85Å; V433-I437 HydrophobicContact CG1-CD1 4.21Å; V433-I437 HydrophobicContact CG1-CG1 4.46Å; V433-I437 HydrophobicContact CG1-CG2 4.21Å; P434-I437 PolarHBondContact O-N 3.43Å
438S35Very low40.4Very low106 Ų106131.8 Ų131.874%0.74170%0.699SS**  trans-114.585.5-173.1-670000113.7
439L32.5Very low39.1Very low165 Ų165134.2 Ų134.286%0.86472%0.717SS**  trans-119.672.9175.7-122.1168.6000111.4
440R34.1Very low37.9Very low230 Ų230133 Ų13387%0.86873%0.726SS**SBendtrans167.7129.2140.9-94.4167.3-173-143.4-0.6114
441K36.3Very low36.6Very low150 Ų150134.9 Ų134.965%0.65274%0.741SS**  trans79.8107149.1-69-176.7155.7-79.80121
442E30.3Very low35.9Very low151 Ų151140 Ų14071%0.70676%0.759SS**  59.6105118.3-63.1151.6-158.500119
443S39Very low35.3Very low123 Ų123138.8 Ų138.886%0.8677%0.767SS**  177.3158.2107.739.60000112.3
444E35.1Very low35.1Very low190 Ų190139.1 Ų139.189%0.88878%0.778SS**  trans-86.9148.2-166.8-61.5155.2130.900113.4
445Y28.8Very low35Very low226 Ų226142.5 Ų142.589%0.88680%0.798SS**  trans-104.9147.4159.4-96.9-85.9000109.5
446P37.7Very low34.9Very low122 Ų122136.4 Ų136.479%0.79278%0.782SS**  trans-122.7141.5137.134-26.9000111.9
447A30.2Very low34.6Very low109 Ų109134.1 Ų134.190%0.90178%0.783SS**  trans-92.2144.4176.600000112
448G30.9Very low35.1Very low65 Ų65132.9 Ų132.967%0.6779%0.789SS**  trans160.5140.5176.400000109
449T33.4Very low36Very low135 Ų135136.4 Ų136.483%0.82879%0.79SS**  cis-157.9155.25-5.40000110.9
450S33.7Very low37.1Very low111 Ų111130 Ų13078%0.77676%0.764SS**  trans65.4124.3143.664.20000121.1
451A28.1Very low38.2Very low100 Ų100126.4 Ų126.483%0.82675%0.751SS**  trans-77.8144.8161.800000111.9
452Q33.7Very low39.9Very low196 Ų196124.6 Ų124.692%0.91675%0.748SS**  trans-135.5130.7153.1-81.6-171.5-14.100109.4
453A30.5Very low42.1Very low108 Ų108123.3 Ų123.389%0.89374%0.742SS**  trans-89.5133.317600000110.1
454A38.9Very low43.8Very low88 Ų88123.1 Ų123.173%0.72773%0.728SS**  trans-145.598.617200000111.8
455T38.1Very low45.8Very low134 Ų134117.1 Ų117.182%0.82270%0.704SS**  trans34.7103.1144.153.80000118.3N457T455-N457 PolarHBondContact O-N 2.96Å; T455-N457 VanDerWaalsContact O-N 3.07Å
456A36Very low48.4Very low72 Ų72109 Ų10960%0.59568%0.684SS**  trans-62.5105.2175.400000113.5
457N42.9Very low50.6Low133 Ų133108 Ų10871%0.71167%0.668SS**  trans-71.4143.7153-90.7-39.4000109.3T455 K459 G460T455-N457 PolarHBondContact O-N 2.96Å; T455-N457 VanDerWaalsContact O-N 3.07Å; N457-K459 PolarHBondContact O-N 3.5Å; N457-G460 WeakPolarHBondContact O-CA 3.43Å; N457-G460 PolarHBondContact O-N 3.12Å
458A51.9Low53.1Low77 Ų77108 Ų10864%0.63665%0.653SS**Hα-helixtrans-54.9-39.1-177.800000113.1G460 R461 D462A458-G460 PolarHBondContact O-N 3.15Å; A458-R461 PolarHBondContact O-N 3.18Å; A458-R461 VanDerWaalsContact O-N 3.12Å; A458-D462 PolarHBondContact O-N 3.35Å
459K53.1Low55.7Low179 Ų179112.1 Ų112.178%0.77865%0.652SS**Hα-helixtrans-60.3-28.7174.3-67.5-174.9175.4-177.50114N457 Q463N457-K459 PolarHBondContact O-N 3.5Å; K459-Q463 PolarHBondContact O-N 3.22Å
460G56.9Low58.4Low30 Ų30112.4 Ų112.431%0.30964%0.642SS.*Hα-helixtrans-68.5-38.5175.300000112.1N457 A458 D462 Q463 E464N457-G460 WeakPolarHBondContact O-CA 3.43Å; N457-G460 PolarHBondContact O-N 3.12Å; A458-G460 PolarHBondContact O-N 3.15Å; G460-D462 PolarHBondContact O-N 3.27Å; G460-Q463 PolarHBondContact O-N 3.01Å; G460-E464 WeakPolarHBondContact O-CG 3.36Å; G460-E464 PolarHBondContact O-N 3.44Å
461R57.7Low61Low156 Ų156112.6 Ų112.659%0.58963%0.632SS**Hα-helixtrans-66.3-36.2175.1-67.3-174.7-178.9171.12.1112.4A458 Q463 T465A458-R461 PolarHBondContact O-N 3.18Å; A458-R461 VanDerWaalsContact O-N 3.12Å; R461-Q463 VanDerWaalsContact C-N 3.28Å; R461-Q463 PolarHBondContact O-N 2.94Å; R461-T465 WeakPolarHBondContact O-CB 3.4Å; R461-T465 VanDerWaalsContact O-CG2 3.24Å; R461-T465 WeakPolarHBondContact O-CG2 3.46Å; R461-T465 PolarHBondContact O-N 3.11Å; R461-T465 PolarHBondContact O-OG1 3.08Å
462D71.9Confident63.8Low111 Ų111111.2 Ų111.259%0.59461%0.613SS**Hα-helixtrans-65-36.2175.2-65-30.8000111.3A458 G460 T465 A466A458-D462 PolarHBondContact O-N 3.35Å; G460-D462 PolarHBondContact O-N 3.27Å; D462-T465 PolarHBondContact O-OG1 3.03Å; D462-A466 WeakPolarHBondContact O-CB 3.49Å; D462-A466 PolarHBondContact O-N 3.34Å; D462-A466 VanDerWaalsContact O-N 3.1Å
463Q76.1Confident66.4Low124 Ų124104.4 Ų104.458%0.57959%0.59SS**Hα-helixtrans-73.2-47.3175.6-169.2167.7-15.800112.4K459 G460 R461 T465 A466 E467K459-Q463 PolarHBondContact O-N 3.22Å; G460-Q463 PolarHBondContact O-N 3.01Å; R461-Q463 VanDerWaalsContact C-N 3.28Å; R461-Q463 PolarHBondContact O-N 2.94Å; Q463-T465 VanDerWaalsContact C-N 3.32Å; Q463-T465 PolarHBondContact O-N 3.2Å; Q463-A466 WeakPolarHBondContact O-CB 3.37Å; Q463-A466 PolarHBondContact O-N 3.43Å; Q463-A466 VanDerWaalsContact O-N 3.13Å; Q463-E467 PolarHBondContact O-N 2.86Å
464E74.3Confident69.2Low120 Ų120104.3 Ų104.356%0.56157%0.572SS**Hα-helixtrans-56.9-43173.3-74.3174.6163.400111.7G460 A466 E467 L468G460-E464 WeakPolarHBondContact O-CG 3.36Å; G460-E464 PolarHBondContact O-N 3.44Å; E464-A466 VanDerWaalsContact C-N 3.35Å; E464-A466 PolarHBondContact O-N 3.09Å; E464-E467 PolarHBondContact O-N 3.43Å; E464-L468 WeakPolarHBondContact O-CB 3.43Å; E464-L468 VanDerWaalsContact O-CG 3.27Å; E464-L468 WeakPolarHBondContact O-CG 3.42Å; E464-L468 PolarHBondContact O-N 3.45Å
465T77.4Confident71.4Confident63 Ų63105.5 Ų105.539%0.38757%0.565SS.*Hα-helixtrans-70.8-28.6178.156.10000113R461 D462 Q463 K469R461-T465 WeakPolarHBondContact O-CB 3.4Å; R461-T465 VanDerWaalsContact O-CG2 3.24Å; R461-T465 WeakPolarHBondContact O-CG2 3.46Å; R461-T465 PolarHBondContact O-N 3.11Å; R461-T465 PolarHBondContact O-OG1 3.08Å; D462-T465 PolarHBondContact O-OG1 3.03Å; Q463-T465 VanDerWaalsContact C-N 3.32Å; Q463-T465 PolarHBondContact O-N 3.2Å; T465-K469 WeakPolarHBondContact O-CB 3.46Å; T465-K469 WeakPolarHBondContact O-CD 3.44Å; T465-K469 WeakPolarHBondContact O-CG 3.44Å; T465-K469 PolarHBondContact O-N 3.11Å
466A82.4Confident73.8Confident56 Ų56104.9 Ų104.946%0.46355%0.553SS.*Hα-helixtrans-69.3-42.5170.400000111.9D462 Q463 E464 K469 K470D462-A466 WeakPolarHBondContact O-CB 3.49Å; D462-A466 PolarHBondContact O-N 3.34Å; D462-A466 VanDerWaalsContact O-N 3.1Å; Q463-A466 WeakPolarHBondContact O-CB 3.37Å; Q463-A466 PolarHBondContact O-N 3.43Å; Q463-A466 VanDerWaalsContact O-N 3.13Å; E464-A466 VanDerWaalsContact C-N 3.35Å; E464-A466 PolarHBondContact O-N 3.09Å; A466-K469 PolarHBondContact O-N 2.83Å; A466-K470 WeakPolarHBondContact O-CB 3.23Å; A466-K470 PolarHBondContact O-N 3.23Å
467E85Confident76.4Confident102 Ų102103.7 Ų103.748%0.47754%0.543SS..Hα-helixtrans-66.4-42.4176.3-71.7176.7-169.300112.1Q463 E464 K469 K470 M471Q463-E467 PolarHBondContact O-N 2.86Å; E464-E467 PolarHBondContact O-N 3.43Å; E467-K469 PolarHBondContact O-N 2.88Å; E467-K470 WeakPolarHBondContact O-CB 3.45Å; E467-K470 PolarHBondContact O-N 3.46Å; E467-M471 PolarHBondContact O-N 2.98Å
468L81.4Confident78.6Confident108 Ų108102.2 Ų102.257%0.56553%0.532SS*.Hα-helixtrans-62-42.5173.8-75.1168.7000112E464 K470 M471 T472E464-L468 WeakPolarHBondContact O-CB 3.43Å; E464-L468 VanDerWaalsContact O-CG 3.27Å; E464-L468 WeakPolarHBondContact O-CG 3.42Å; E464-L468 PolarHBondContact O-N 3.45Å; L468-K470 VanDerWaalsContact C-N 3.33Å; L468-K470 PolarHBondContact O-N 3.36Å; L468-M471 PolarHBondContact O-N 3.02Å; L468-T472 WeakPolarHBondContact O-CB 3.36Å; L468-T472 PolarHBondContact O-N 3.06Å; L468-T472 PolarHBondContact O-OG1 2.82Å
469K86.9Confident80.2Confident152 Ų152105.6 Ų105.666%0.66153%0.529SS*.Hα-helixtrans-60.7-42173.7-78.3168.9-177.2172.20111.6T465 A466 E467 T472 A473T465-K469 WeakPolarHBondContact O-CB 3.46Å; T465-K469 WeakPolarHBondContact O-CD 3.44Å; T465-K469 WeakPolarHBondContact O-CG 3.44Å; T465-K469 PolarHBondContact O-N 3.11Å; A466-K469 PolarHBondContact O-N 2.83Å; E467-K469 PolarHBondContact O-N 2.88Å; K469-T472 PolarHBondContact O-N 2.88Å; K469-A473 WeakPolarHBondContact O-CB 3.41Å; K469-A473 PolarHBondContact O-N 2.99Å
470K89.9Confident81.9Confident141 Ų141100.3 Ų100.361%0.61352%0.515SS*.Hα-helixtrans-63.2-46.5176.4-174.6-178176.4-1740112.1A466 E467 L468 T472 A473 Q474A466-K470 WeakPolarHBondContact O-CB 3.23Å; A466-K470 PolarHBondContact O-N 3.23Å; E467-K470 WeakPolarHBondContact O-CB 3.45Å; E467-K470 PolarHBondContact O-N 3.46Å; L468-K470 VanDerWaalsContact C-N 3.33Å; L468-K470 PolarHBondContact O-N 3.36Å; K470-T472 VanDerWaalsContact C-N 3.34Å; K470-A473 PolarHBondContact O-N 3.34Å; K470-Q474 WeakPolarHBondContact O-CG 3.37Å; K470-Q474 PolarHBondContact O-N 3.14Å
471M87.9Confident83.4Confident115 Ų115105 Ų10557%0.56753%0.527SS*.Hα-helixtrans-64.2-38.7175.4-71.4-156.5-16000112.2E467 L468 Q474 L475E467-M471 PolarHBondContact O-N 2.98Å; L468-M471 PolarHBondContact O-N 3.02Å; M471-Q474 PolarHBondContact O-N 3.28Å; M471-L475 WeakPolarHBondContact O-CG 3.35Å; M471-L475 PolarHBondContact O-N 3.39Å
472T86.7Confident84.8Confident71 Ų71104 Ų10444%0.43653%0.527SS..Hα-helixtrans-62.4-48.4178.4-55.40000110.3L468 K469 K470 Q474 L475 E476L468-T472 WeakPolarHBondContact O-CB 3.36Å; L468-T472 PolarHBondContact O-N 3.06Å; L468-T472 PolarHBondContact O-OG1 2.82Å; K469-T472 PolarHBondContact O-N 2.88Å; K470-T472 VanDerWaalsContact C-N 3.34Å; T472-Q474 VanDerWaalsContact C-N 3.3Å; T472-Q474 PolarHBondContact O-N 3.44Å; T472-L475 PolarHBondContact O-N 3.08Å; T472-E476 WeakPolarHBondContact O-CG 3.07Å; T472-E476 PolarHBondContact O-N 2.94Å
473A88.3Confident85.6Confident53 Ų53103.6 Ų103.644%0.43852%0.521SS..Hα-helixtrans-62.4-34.1176.300000113K469 K470 A477K469-A473 WeakPolarHBondContact O-CB 3.41Å; K469-A473 PolarHBondContact O-N 2.99Å; K470-A473 PolarHBondContact O-N 3.34Å; A473-A477 WeakPolarHBondContact O-CB 3.46Å; A473-A477 PolarHBondContact O-N 3.43Å; A473-A477 VanDerWaalsContact O-N 3.08Å
474Q89.1Confident86.2Confident106 Ų106100.8 Ų100.850%0.49552%0.515SS..Hα-helixtrans-66.8-46.4173.3-75.5176.6-34.800111.7K470 M471 T472 E476 A477 E478K470-Q474 WeakPolarHBondContact O-CG 3.37Å; K470-Q474 PolarHBondContact O-N 3.14Å; M471-Q474 PolarHBondContact O-N 3.28Å; T472-Q474 VanDerWaalsContact C-N 3.3Å; T472-Q474 PolarHBondContact O-N 3.44Å; Q474-E476 PolarHBondContact O-N 3.01Å; Q474-A477 PolarHBondContact O-N 3.18Å; Q474-E478 WeakPolarHBondContact O-CG 3.25Å; Q474-E478 PolarHBondContact O-N 3.48Å
475L85.9Confident87Confident112 Ų112101 Ų10159%0.58651%0.514SS*.Hα-helixtrans-65.2-37.6177.9-72.5169.9000112.4M471 T472 E478 Y479M471-L475 WeakPolarHBondContact O-CG 3.35Å; M471-L475 PolarHBondContact O-N 3.39Å; T472-L475 PolarHBondContact O-N 3.08Å; L475-E478 PolarHBondContact O-N 2.85Å; L475-Y479 WeakPolarHBondContact O-CB 3.31Å; L475-Y479 PolarHBondContact O-N 2.89Å
476E88.9Confident87.4Confident122 Ų122102.4 Ų102.457%0.5752%0.519SS*.Hα-helixtrans-64-40.9173.2-73.6172.9168.400111.7T472 Q474 S480T472-E476 WeakPolarHBondContact O-CG 3.07Å; T472-E476 PolarHBondContact O-N 2.94Å; Q474-E476 PolarHBondContact O-N 3.01Å; E476-S480 WeakPolarHBondContact O-CB 3.49Å; E476-S480 PolarHBondContact O-N 3.45Å; E476-S480 PolarHBondContact O-OG 3.3Å
477A89.3Confident87.7Confident47 Ų47102.3 Ų102.339%0.38852%0.518SS..Hα-helixtrans-68.2-36.8175.500000112.8A473 Q474 K481A473-A477 WeakPolarHBondContact O-CB 3.46Å; A473-A477 PolarHBondContact O-N 3.43Å; A473-A477 VanDerWaalsContact O-N 3.08Å; Q474-A477 PolarHBondContact O-N 3.18Å; A477-K481 WeakPolarHBondContact O-CG 3.49Å; A477-K481 PolarHBondContact O-N 2.73Å
478E89.6Confident87.9Confident102 Ų102102.6 Ų102.648%0.47752%0.523SS..Hα-helixtrans-69.7-45.5173.5-73.9-175.4172.100112Q474 L475 S480 K481 F482Q474-E478 WeakPolarHBondContact O-CG 3.25Å; Q474-E478 PolarHBondContact O-N 3.48Å; L475-E478 PolarHBondContact O-N 2.85Å; E478-S480 VanDerWaalsContact C-N 3.28Å; E478-S480 PolarHBondContact O-N 2.87Å; E478-K481 CarbonylContact O-C 3.5Å; E478-K481 WeakPolarHBondContact O-CA 3.48Å; E478-K481 WeakPolarHBondContact O-CB 3.32Å; E478-K481 PolarHBondContact O-N 3.42Å; E478-F482 VanDerWaalsContact O-CD2 3.23Å; E478-F482 WeakPolarHBondContact O-CD2 3.43Å; E478-F482 PolarHBondContact O-N 3Å
479Y86.1Confident88.2Confident148 Ų148103.6 Ų103.658%0.5853%0.525SS*.Hα-helixtrans-57.9-41.5175.6-176.4-110.9000111.7L475 K481 F482 Q483L475-Y479 WeakPolarHBondContact O-CB 3.31Å; L475-Y479 PolarHBondContact O-N 2.89Å; Y479-K481 PolarHBondContact O-N 3.2Å; Y479-F482 PolarHBondContact O-N 3.45Å; Y479-F482 VanDerWaalsContact O-N 3.16Å; Y479-Q483 HydrophobicContact CD1-CG 4.45Å; Y479-Q483 HydrophobicContact CE1-CG 4.1Å; Y479-Q483 VanDerWaalsContact CZ-NE2 3.32Å; Y479-Q483 PolarHBondContact O-N 2.87Å; Y479-Q483 PolarHBondContact OH-NE2 2.98Å; Y479-Q483 VanDerWaalsContact OH-NE2 3.11Å
480S88Confident88.2Confident68 Ų68102.1 Ų102.148%0.47652%0.52SS..Hα-helixtrans-61-40.4173.9-58.20000112.6E476 E478 Q483 S484E476-S480 WeakPolarHBondContact O-CB 3.49Å; E476-S480 PolarHBondContact O-N 3.45Å; E476-S480 PolarHBondContact O-OG 3.3Å; E478-S480 VanDerWaalsContact C-N 3.28Å; E478-S480 PolarHBondContact O-N 2.87Å; S480-Q483 PolarHBondContact O-N 2.67Å; S480-S484 PolarHBondContact O-N 3.3Å
481K89.5Confident88.1Confident129 Ų12997.5 Ų97.556%0.56151%0.508SS*.Hα-helixtrans-68.5-32.5173.9-69.5167.8-175.1171.90112.9A477 E478 Y479 S484 K485A477-K481 WeakPolarHBondContact O-CG 3.49Å; A477-K481 PolarHBondContact O-N 2.73Å; E478-K481 CarbonylContact O-C 3.5Å; E478-K481 WeakPolarHBondContact O-CA 3.48Å; E478-K481 WeakPolarHBondContact O-CB 3.32Å; E478-K481 PolarHBondContact O-N 3.42Å; Y479-K481 PolarHBondContact O-N 3.2Å; K481-S484 PolarHBondContact O-OG 2.81Å; K481-S484 VanDerWaalsContact O-OG 3.11Å; K481-K485 WeakPolarHBondContact O-CB 3.38Å; K481-K485 VanDerWaalsContact O-CG 3.29Å; K481-K485 WeakPolarHBondContact O-CG 3.34Å; K481-K485 PolarHBondContact O-N 2.78Å
482F86.4Confident88Confident134 Ų13494.4 Ų94.459%0.58850%0.498SS*.Hα-helixtrans-70.3-43.4173.7-82.1-69.9000111.3E478 Y479 S484 K485 L486E478-F482 VanDerWaalsContact O-CD2 3.23Å; E478-F482 WeakPolarHBondContact O-CD2 3.43Å; E478-F482 PolarHBondContact O-N 3Å; Y479-F482 PolarHBondContact O-N 3.45Å; Y479-F482 VanDerWaalsContact O-N 3.16Å; F482-S484 PolarHBondContact O-N 2.86Å; F482-K485 PolarHBondContact O-N 2.98Å; F482-L486 WeakPolarHBondContact O-CB 3.44Å; F482-L486 PolarHBondContact O-N 3.19Å
483Q88.7Confident87.9Confident103 Ų10396.1 Ų96.148%0.48150%0.504SS..Hα-helixtrans-59.3-44.2174.6-74.4-169.2-21.600112.3Y479 S480 L486 A487Y479-Q483 HydrophobicContact CD1-CG 4.45Å; Y479-Q483 HydrophobicContact CE1-CG 4.1Å; Y479-Q483 VanDerWaalsContact CZ-NE2 3.32Å; Y479-Q483 PolarHBondContact O-N 2.87Å; Y479-Q483 PolarHBondContact OH-NE2 2.98Å; Y479-Q483 VanDerWaalsContact OH-NE2 3.11Å; S480-Q483 PolarHBondContact O-N 2.67Å; Q483-L486 PolarHBondContact O-N 2.95Å; Q483-A487 PolarHBondContact O-N 3.46Å
484S88.4Confident87.9Confident64 Ų64100.6 Ų100.645%0.44851%0.51SS..Hα-helixtrans-63.7-43.7177.973.60000112.2S480 K481 F482 L486 A487 D488S480-S484 PolarHBondContact O-N 3.3Å; K481-S484 PolarHBondContact O-OG 2.81Å; K481-S484 VanDerWaalsContact O-OG 3.11Å; F482-S484 PolarHBondContact O-N 2.86Å; S484-L486 VanDerWaalsContact C-N 3.32Å; S484-L486 PolarHBondContact O-N 3.16Å; S484-A487 PolarHBondContact O-N 3.41Å; S484-D488 PolarHBondContact O-N 2.94Å
485K90.6Very high87.7Confident124 Ų124103.3 Ų103.354%0.53952%0.516SS..Hα-helixtrans-61.8-38175.5-76.4175.6178.8-178.60112.7K481 F482 D488 Q489K481-K485 WeakPolarHBondContact O-CB 3.38Å; K481-K485 VanDerWaalsContact O-CG 3.29Å; K481-K485 WeakPolarHBondContact O-CG 3.34Å; K481-K485 PolarHBondContact O-N 2.78Å; F482-K485 PolarHBondContact O-N 2.98Å; K485-D488 PolarHBondContact O-N 3.45Å; K485-Q489 WeakPolarHBondContact O-CB 3.3Å; K485-Q489 VanDerWaalsContact O-CG 3.31Å; K485-Q489 WeakPolarHBondContact O-CG 3.36Å; K485-Q489 PolarHBondContact O-N 3.3Å
486L86.9Confident87.6Confident94 Ų94103.2 Ų103.249%0.49251%0.514SS..Hα-helixtrans-68.8-43179.9-159.4155.2000110.3F482 Q483 S484 D488 Q489 E490F482-L486 WeakPolarHBondContact O-CB 3.44Å; F482-L486 PolarHBondContact O-N 3.19Å; Q483-L486 PolarHBondContact O-N 2.95Å; S484-L486 VanDerWaalsContact C-N 3.32Å; S484-L486 PolarHBondContact O-N 3.16Å; L486-D488 PolarHBondContact O-N 3.39Å; L486-Q489 WeakPolarHBondContact O-CB 3.4Å; L486-Q489 PolarHBondContact O-N 3.46Å; L486-E490 HydrophobicContact CD2-CG 4.12Å; L486-E490 WeakPolarHBondContact CD2-OE1 3.5Å; L486-E490 WeakPolarHBondContact O-CG 3.43Å; L486-E490 PolarHBondContact O-N 2.86Å
487A88.5Confident87.5Confident53 Ų53100.9 Ų100.944%0.43851%0.508SS..Hα-helixtrans-61.7-40.6172.600000113Q483 S484 Q489 E490 A491Q483-A487 PolarHBondContact O-N 3.46Å; S484-A487 PolarHBondContact O-N 3.41Å; A487-Q489 VanDerWaalsContact C-N 3.33Å; A487-Q489 PolarHBondContact O-N 2.93Å; A487-E490 PolarHBondContact O-N 3.31Å; A487-A491 WeakPolarHBondContact O-CB 3.36Å; A487-A491 PolarHBondContact O-N 2.98Å
488D88Confident87.3Confident109 Ų109103.7 Ų103.758%0.58351%0.512SS*.Hα-helixtrans-62.5-38.9173.9-78.6-33.5000112.1S484 K485 L486 S492S484-D488 PolarHBondContact O-N 2.94Å; K485-D488 PolarHBondContact O-N 3.45Å; L486-D488 PolarHBondContact O-N 3.39Å; D488-S492 WeakPolarHBondContact O-CB 3.46Å; D488-S492 PolarHBondContact O-N 3.27Å
489Q88Confident86.9Confident129 Ų129101.7 Ų101.760%0.60351%0.512SS*.Hα-helixtrans-67.5-44.1175.9-76.1176.3-15.200111.9K485 L486 A487 S492 L493K485-Q489 WeakPolarHBondContact O-CB 3.3Å; K485-Q489 VanDerWaalsContact O-CG 3.31Å; K485-Q489 WeakPolarHBondContact O-CG 3.36Å; K485-Q489 PolarHBondContact O-N 3.3Å; L486-Q489 WeakPolarHBondContact O-CB 3.4Å; L486-Q489 PolarHBondContact O-N 3.46Å; A487-Q489 VanDerWaalsContact C-N 3.33Å; A487-Q489 PolarHBondContact O-N 2.93Å; Q489-S492 WeakPolarHBondContact O-CB 3.46Å; Q489-S492 PolarHBondContact O-N 2.97Å; Q489-S492 VanDerWaalsContact O-N 3.16Å; Q489-L493 WeakPolarHBondContact O-CG 3.41Å; Q489-L493 PolarHBondContact O-N 3.42Å
490E87.5Confident86.6Confident121 Ų121100.4 Ų100.457%0.56552%0.515SS*.Hα-helixtrans-60.2-45.2173.8-72.7179.8164.500111.7L486 A487 S492 L493 Y494L486-E490 HydrophobicContact CD2-CG 4.12Å; L486-E490 WeakPolarHBondContact CD2-OE1 3.5Å; L486-E490 WeakPolarHBondContact O-CG 3.43Å; L486-E490 PolarHBondContact O-N 2.86Å; A487-E490 PolarHBondContact O-N 3.31Å; E490-S492 VanDerWaalsContact C-N 3.27Å; E490-S492 PolarHBondContact O-N 3.06Å; E490-L493 PolarHBondContact O-N 3.42Å; E490-Y494 WeakPolarHBondContact O-CB 3.18Å; E490-Y494 PolarHBondContact O-N 2.94Å
491A88.1Confident86.5Confident44 Ų44102.5 Ų102.536%0.36452%0.517SS..Hα-helixtrans-65.8-28.2175.600000113A487 R495A487-A491 WeakPolarHBondContact O-CB 3.36Å; A487-A491 PolarHBondContact O-N 2.98Å; A491-R495 WeakPolarHBondContact O-CG 3.48Å; A491-R495 PolarHBondContact O-N 3.38Å; A491-R495 PolarHBondContact O-NE 3.41Å
492S85.5Confident86.1Confident49 Ų49100 Ų10034%0.34352%0.516SS..Hα-helixtrans-72.3-48.1172.1-165.80000111.5D488 Q489 E490 Y494 R495 M496D488-S492 WeakPolarHBondContact O-CB 3.46Å; D488-S492 PolarHBondContact O-N 3.27Å; Q489-S492 WeakPolarHBondContact O-CB 3.46Å; Q489-S492 PolarHBondContact O-N 2.97Å; Q489-S492 VanDerWaalsContact O-N 3.16Å; E490-S492 VanDerWaalsContact C-N 3.27Å; E490-S492 PolarHBondContact O-N 3.06Å; S492-Y494 PolarHBondContact O-N 3.11Å; S492-R495 PolarHBondContact O-N 3.42Å; S492-M496 PolarHBondContact O-N 3.1Å
493L83.5Confident85.6Confident107 Ų10796.4 Ų96.456%0.5651%0.511SS*.Hα-helixtrans-57.8-45.8175.7-74.2167000111.5Q489 E490 R495 M496 T497Q489-L493 WeakPolarHBondContact O-CG 3.41Å; Q489-L493 PolarHBondContact O-N 3.42Å; E490-L493 PolarHBondContact O-N 3.42Å; L493-R495 VanDerWaalsContact C-N 3.33Å; L493-R495 PolarHBondContact O-N 2.98Å; L493-M496 HydrophobicContact CD2-CE 4.08Å; L493-M496 PolarHBondContact O-N 3.26Å; L493-T497 PolarHBondContact O-N 3.18Å; L493-T497 PolarHBondContact O-OG1 3.32Å
494Y88.6Confident85.2Confident147 Ų14794.5 Ų94.558%0.57651%0.506SS*.Hα-helixtrans-60.2-39.6177-174-103.6000113.1E490 S492 K498E490-Y494 WeakPolarHBondContact O-CB 3.18Å; E490-Y494 PolarHBondContact O-N 2.94Å; S492-Y494 PolarHBondContact O-N 3.11Å; Y494-K498 HydrophobicContact CE1-CD 4.01Å; Y494-K498 PolarHBondContact O-N 3.27Å; Y494-K498 VanDerWaalsContact O-N 3.16Å; Y494-K498 WeakPolarHBondContact OH-CE 3.41Å; Y494-K498 PolarHBondContact OH-NZ 3.2Å
495R85.3Confident84.9Confident164 Ų16495.1 Ų95.162%0.61951%0.505SS*.Hα-helixtrans-67-42.1174.8-77.9180-73.7-175.5-1.1112A491 S492 L493 K498 A499A491-R495 WeakPolarHBondContact O-CG 3.48Å; A491-R495 PolarHBondContact O-N 3.38Å; A491-R495 PolarHBondContact O-NE 3.41Å; S492-R495 PolarHBondContact O-N 3.42Å; L493-R495 VanDerWaalsContact C-N 3.33Å; L493-R495 PolarHBondContact O-N 2.98Å; R495-K498 PolarHBondContact O-N 3.49Å; R495-A499 WeakPolarHBondContact O-CB 3.42Å; R495-A499 PolarHBondContact O-N 3.15Å
496M83.3Confident84.1Confident109 Ų10991.5 Ų91.554%0.53750%0.498SS..Hα-helixtrans-64.4-40.2175.7-72.7-173.1-75.300112.2S492 L493 A499 L500S492-M496 PolarHBondContact O-N 3.1Å; L493-M496 HydrophobicContact CD2-CE 4.08Å; L493-M496 PolarHBondContact O-N 3.26Å; M496-A499 PolarHBondContact O-N 3.32Å; M496-L500 WeakPolarHBondContact O-CB 3.41Å; M496-L500 PolarHBondContact O-N 2.98Å
497T86.9Confident83.6Confident73 Ų7395.1 Ų95.145%0.44851%0.505SS..Hα-helixtrans-60.4-48175.5-57.30000111.6L493 A499 L500 E501L493-T497 PolarHBondContact O-N 3.18Å; L493-T497 PolarHBondContact O-OG1 3.32Å; T497-A499 VanDerWaalsContact C-N 3.32Å; T497-A499 PolarHBondContact O-N 3.08Å; T497-L500 WeakPolarHBondContact O-CB 3.47Å; T497-L500 PolarHBondContact O-N 3.03Å; T497-L500 VanDerWaalsContact O-N 3.14Å; T497-E501 WeakPolarHBondContact O-CG 3.32Å; T497-E501 PolarHBondContact O-N 3.13Å
498K86.4Confident83.4Confident107 Ų10797.1 Ų97.147%0.46550%0.504SS..Hα-helixtrans-62.9-35.8175.5-77.9-170.2173.1176.60113.6Y494 R495 L500 S502Y494-K498 HydrophobicContact CE1-CD 4.01Å; Y494-K498 PolarHBondContact O-N 3.27Å; Y494-K498 VanDerWaalsContact O-N 3.16Å; Y494-K498 WeakPolarHBondContact OH-CE 3.41Å; Y494-K498 PolarHBondContact OH-NZ 3.2Å; R495-K498 PolarHBondContact O-N 3.49Å; K498-L500 VanDerWaalsContact C-N 3.35Å; K498-S502 WeakPolarHBondContact O-CB 3.35Å; K498-S502 PolarHBondContact O-N 2.87Å
499A79.5Confident82.8Confident60 Ų6099.7 Ų99.750%0.49651%0.506SS..Hα-helixtrans-65.5-39.9174.100000111.5R495 M496 T497 S502 A503R495-A499 WeakPolarHBondContact O-CB 3.42Å; R495-A499 PolarHBondContact O-N 3.15Å; M496-A499 PolarHBondContact O-N 3.32Å; T497-A499 VanDerWaalsContact C-N 3.32Å; T497-A499 PolarHBondContact O-N 3.08Å; A499-S502 PolarHBondContact O-N 2.91Å; A499-A503 WeakPolarHBondContact O-CB 3.44Å; A499-A503 PolarHBondContact O-N 3.21Å
500L81.6Confident82Confident121 Ų12196.5 Ų96.563%0.63450%0.501SS*.Hα-helixtrans-64.9-43.1176.1-162.989.3000112M496 T497 K498 A503 T504M496-L500 WeakPolarHBondContact O-CB 3.41Å; M496-L500 PolarHBondContact O-N 2.98Å; T497-L500 WeakPolarHBondContact O-CB 3.47Å; T497-L500 PolarHBondContact O-N 3.03Å; T497-L500 VanDerWaalsContact O-N 3.14Å; K498-L500 VanDerWaalsContact C-N 3.35Å; L500-A503 PolarHBondContact O-N 2.97Å; L500-T504 WeakPolarHBondContact O-CB 3.37Å; L500-T504 PolarHBondContact O-N 3.01Å; L500-T504 PolarHBondContact O-OG1 3.45Å
501E85.4Confident81.4Confident112 Ų11294.3 Ų94.352%0.52349%0.491SS..Hα-helixtrans-59.4-50.4174.6-71.6171.9162.500111.1T497 A503 T504 D505T497-E501 WeakPolarHBondContact O-CG 3.32Å; T497-E501 PolarHBondContact O-N 3.13Å; E501-A503 PolarHBondContact O-N 2.82Å; E501-T504 WeakPolarHBondContact O-CB 3.34Å; E501-T504 PolarHBondContact O-N 3.06Å; E501-T504 VanDerWaalsContact O-N 3.12Å; E501-D505 PolarHBondContact O-N 2.91Å
502S81.8Confident81.1Confident76 Ų76100.7 Ų100.753%0.53151%0.507SS..Hα-helixtrans-59.7-43.9177.2-174.50000112.5K498 A499 T504 D505 A506K498-S502 WeakPolarHBondContact O-CB 3.35Å; K498-S502 PolarHBondContact O-N 2.87Å; A499-S502 PolarHBondContact O-N 2.91Å; S502-T504 VanDerWaalsContact C-N 3.32Å; S502-T504 PolarHBondContact O-N 3.24Å; S502-D505 PolarHBondContact O-N 2.85Å; S502-A506 WeakPolarHBondContact O-CB 3.4Å; S502-A506 PolarHBondContact O-N 3.42Å
503A74.1Confident80.7Confident59 Ų59101.3 Ų101.349%0.48851%0.511SS..Hα-helixtrans-63.7-37.1174.900000112.2A499 L500 E501 A506 R507A499-A503 WeakPolarHBondContact O-CB 3.44Å; A499-A503 PolarHBondContact O-N 3.21Å; L500-A503 PolarHBondContact O-N 2.97Å; E501-A503 PolarHBondContact O-N 2.82Å; A503-A506 PolarHBondContact O-N 3.5Å; A503-R507 WeakPolarHBondContact O-CB 3.39Å; A503-R507 PolarHBondContact O-N 3.08Å
504T82Confident80.2Confident62 Ų62101.7 Ų101.738%0.3851%0.505SS..Hα-helixtrans-66-40.9176.6-58.80000111.5L500 E501 S502 R507 K508L500-T504 WeakPolarHBondContact O-CB 3.37Å; L500-T504 PolarHBondContact O-N 3.01Å; L500-T504 PolarHBondContact O-OG1 3.45Å; E501-T504 WeakPolarHBondContact O-CB 3.34Å; E501-T504 PolarHBondContact O-N 3.06Å; E501-T504 VanDerWaalsContact O-N 3.12Å; S502-T504 VanDerWaalsContact C-N 3.32Å; S502-T504 PolarHBondContact O-N 3.24Å; T504-R507 PolarHBondContact O-N 2.68Å; T504-K508 WeakPolarHBondContact O-CG 3.45Å; T504-K508 PolarHBondContact O-N 3.07Å
505D81.4Confident79.9Confident78 Ų7898.4 Ų98.442%0.41750%0.497SS..Hα-helixtrans-76.8-26.2176.5-75.2-12.8000113.4E501 S502 K508 R509E501-D505 PolarHBondContact O-N 2.91Å; S502-D505 PolarHBondContact O-N 2.85Å; D505-K508 IonicContact OD1-NZ 2.66Å; D505-K508 PolarHBondContact OD1-NZ 3.21Å; D505-R509 WeakPolarHBondContact O-CG 3.47Å; D505-R509 PolarHBondContact O-N 2.92Å; D505-R509 PolarHBondContact O-NE 2.7Å
506A73.1Confident79.5Confident48 Ų4893.6 Ų93.640%0.39749%0.493SS..Hα-helixtrans-66-44.916600000111.1S502 A503 R509 A510S502-A506 WeakPolarHBondContact O-CB 3.4Å; S502-A506 PolarHBondContact O-N 3.42Å; A503-A506 PolarHBondContact O-N 3.5Å; A506-R509 PolarHBondContact O-N 3.22Å; A506-A510 PolarHBondContact O-N 2.91Å
507R77.1Confident79Confident169 Ų16994.2 Ų94.264%0.63850%0.496SS*.Hα-helixtrans-58.9-49.2175.6178179.4167.3172.4-1.3112.1A503 T504 R509 A510 E511A503-R507 WeakPolarHBondContact O-CB 3.39Å; A503-R507 PolarHBondContact O-N 3.08Å; T504-R507 PolarHBondContact O-N 2.68Å; R507-R509 VanDerWaalsContact C-N 3.3Å; R507-R509 PolarHBondContact O-N 3.18Å; R507-A510 WeakPolarHBondContact O-CB 3.35Å; R507-A510 PolarHBondContact O-N 3.27Å; R507-A510 VanDerWaalsContact O-N 3.13Å; R507-E511 HydrophobicContact CG-CG 4.45Å; R507-E511 IonicContact CZ-OE1 2.73Å; R507-E511 IonicContact NE-OE1 3.63Å; R507-E511 PolarHBondContact NE-OE1 3.06Å; R507-E511 IonicContact NH2-OE1 2.75Å; R507-E511 PolarHBondContact NH2-OE1 3.32Å; R507-E511 WeakPolarHBondContact O-CG 3.45Å; R507-E511 PolarHBondContact O-N 3.02Å
508K84Confident78.6Confident95 Ų9595 Ų9541%0.41349%0.494SS..Hα-helixtrans-55.4-44.4175.7-70.5170-166.3154.20111.8T504 D505 E511 Y512T504-K508 WeakPolarHBondContact O-CG 3.45Å; T504-K508 PolarHBondContact O-N 3.07Å; D505-K508 IonicContact OD1-NZ 2.66Å; D505-K508 PolarHBondContact OD1-NZ 3.21Å; K508-E511 PolarHBondContact O-N 3.4Å; K508-Y512 HydrophobicContact CB-CE2 4.49Å; K508-Y512 WeakPolarHBondContact O-CD2 3.34Å; K508-Y512 PolarHBondContact O-N 2.87Å
509R75.7Confident78.3Confident164 Ų16492.9 Ų92.962%0.61950%0.497SS*.Hα-helixtrans-63.7-40177.3-77.1178.5-75.2169.3-4.9112.5D505 A506 R507 Y512 S513D505-R509 WeakPolarHBondContact O-CG 3.47Å; D505-R509 PolarHBondContact O-N 2.92Å; D505-R509 PolarHBondContact O-NE 2.7Å; A506-R509 PolarHBondContact O-N 3.22Å; R507-R509 VanDerWaalsContact C-N 3.3Å; R507-R509 PolarHBondContact O-N 3.18Å; R509-Y512 PolarHBondContact O-N 3.24Å; R509-S513 WeakPolarHBondContact O-CB 3.29Å; R509-S513 PolarHBondContact O-N 3.4Å
510A70.6Confident78.2Confident61 Ų6193.4 Ų93.450%0.50449%0.489SS..Hα-helixtrans-64.4-42.3173.500000111.9A506 R507 S513 R514A506-A510 PolarHBondContact O-N 2.91Å; R507-A510 WeakPolarHBondContact O-CB 3.35Å; R507-A510 PolarHBondContact O-N 3.27Å; R507-A510 VanDerWaalsContact O-N 3.13Å; A510-S513 PolarHBondContact O-N 3.33Å; A510-R514 VanDerWaalsContact O-CB 3.29Å; A510-R514 WeakPolarHBondContact O-CB 3.39Å; A510-R514 PolarHBondContact O-N 3.06Å
511E75.5Confident78Confident76 Ų7692.1 Ų92.136%0.35548%0.482SS..Hα-helixtrans-62.5-42.9175.7-72.9172.5178.300112.1R507 K508 R514 N515R507-E511 HydrophobicContact CG-CG 4.45Å; R507-E511 IonicContact CZ-OE1 2.73Å; R507-E511 IonicContact NE-OE1 3.63Å; R507-E511 PolarHBondContact NE-OE1 3.06Å; R507-E511 IonicContact NH2-OE1 2.75Å; R507-E511 PolarHBondContact NH2-OE1 3.32Å; R507-E511 WeakPolarHBondContact O-CG 3.45Å; R507-E511 PolarHBondContact O-N 3.02Å; K508-E511 PolarHBondContact O-N 3.4Å; E511-R514 PolarHBondContact O-N 3.48Å; E511-N515 WeakPolarHBondContact O-CB 3.41Å; E511-N515 PolarHBondContact O-N 2.73Å; E511-N515 PolarHBondContact O-ND2 3.47Å; E511-N515 PolarHBondContact O-OD1 2.94Å
512Y82Confident77.9Confident177 Ų17791.9 Ų91.969%0.69448%0.484SS*.Hα-helixtrans-61.6-44.3173-76-61.8000112.6K508 R509 N515 A516K508-Y512 HydrophobicContact CB-CE2 4.49Å; K508-Y512 WeakPolarHBondContact O-CD2 3.34Å; K508-Y512 PolarHBondContact O-N 2.87Å; R509-Y512 PolarHBondContact O-N 3.24Å; Y512-N515 PolarHBondContact O-N 2.78Å; Y512-A516 PolarHBondContact O-N 2.9Å
513S77Confident78Confident63 Ų6392.8 Ų92.844%0.44148%0.476SS..Hα-helixtrans-62.2-45.7176.9-174.10000111.8R509 A510 N515 A516 M517R509-S513 WeakPolarHBondContact O-CB 3.29Å; R509-S513 PolarHBondContact O-N 3.4Å; A510-S513 PolarHBondContact O-N 3.33Å; S513-N515 PolarHBondContact O-N 2.77Å; S513-A516 PolarHBondContact O-N 3.02Å; S513-M517 WeakPolarHBondContact O-CG 3.28Å; S513-M517 PolarHBondContact O-N 3.29Å
514R73.9Confident78.3Confident115 Ų11593.7 Ų93.743%0.43447%0.47SS..Hα-helixtrans-56.8-49.3175.7-169.1-166.178.58327.8111.5A510 E511 A516 M517 E518A510-R514 VanDerWaalsContact O-CB 3.29Å; A510-R514 WeakPolarHBondContact O-CB 3.39Å; A510-R514 PolarHBondContact O-N 3.06Å; E511-R514 PolarHBondContact O-N 3.48Å; R514-A516 VanDerWaalsContact C-N 3.31Å; R514-A516 PolarHBondContact O-N 3.14Å; R514-M517 PolarHBondContact O-N 3.37Å; R514-E518 IonicContact CZ-OE1 3.02Å; R514-E518 VanDerWaalsContact CZ-OE1 3.26Å; R514-E518 IonicContact CZ-OE2 2.65Å; R514-E518 IonicContact NH1-OE1 3.34Å; R514-E518 PolarHBondContact NH1-OE1 3.4Å; R514-E518 IonicContact NH1-OE2 3.02Å; R514-E518 IonicContact NH2-OE1 2.7Å; R514-E518 PolarHBondContact NH2-OE1 3.4Å; R514-E518 IonicContact NH2-OE2 2.75Å; R514-E518 PolarHBondContact NH2-OE2 3.28Å; R514-E518 WeakPolarHBondContact O-CG 3.4Å; R514-E518 PolarHBondContact O-N 3.36Å
515N81Confident78.4Confident77 Ų7796.2 Ų96.241%0.41248%0.476SS..Hα-helixtrans-64-35.1179.6-63.8-7.1000112.2E511 Y512 S513 A519E511-N515 WeakPolarHBondContact O-CB 3.41Å; E511-N515 PolarHBondContact O-N 2.73Å; E511-N515 PolarHBondContact O-ND2 3.47Å; E511-N515 PolarHBondContact O-OD1 2.94Å; Y512-N515 PolarHBondContact O-N 2.78Å; S513-N515 PolarHBondContact O-N 2.77Å; N515-A519 WeakPolarHBondContact O-CB 3.37Å; N515-A519 PolarHBondContact O-N 3.3Å
516A76.5Confident78.5Confident63 Ų6398.1 Ų98.152%0.52148%0.482SS..Hα-helixtrans-67.9-41.6174.900000112.2Y512 S513 R514 A519 E520Y512-A516 PolarHBondContact O-N 2.9Å; S513-A516 PolarHBondContact O-N 3.02Å; R514-A516 VanDerWaalsContact C-N 3.31Å; R514-A516 PolarHBondContact O-N 3.14Å; A516-A519 PolarHBondContact O-N 2.91Å; A516-E520 PolarHBondContact O-N 2.87Å
517M74Confident78.9Confident122 Ų12299.7 Ų99.760%0.60148%0.481SS*.Hα-helixtrans-66.5-38.5174.5-69-174.6-69.200112.4S513 R514 E520 L521S513-M517 WeakPolarHBondContact O-CG 3.28Å; S513-M517 PolarHBondContact O-N 3.29Å; R514-M517 PolarHBondContact O-N 3.37Å; M517-E520 PolarHBondContact O-N 3Å; M517-L521 WeakPolarHBondContact O-CB 3.32Å; M517-L521 PolarHBondContact O-N 3.44Å
518E77.9Confident79Confident89 Ų8997.7 Ų97.742%0.41648%0.479SS..Hα-helixtrans-62.5-41.7174-75.6179.1161.200112R514 L521 L522R514-E518 IonicContact CZ-OE1 3.02Å; R514-E518 VanDerWaalsContact CZ-OE1 3.26Å; R514-E518 IonicContact CZ-OE2 2.65Å; R514-E518 IonicContact NH1-OE1 3.34Å; R514-E518 PolarHBondContact NH1-OE1 3.4Å; R514-E518 IonicContact NH1-OE2 3.02Å; R514-E518 IonicContact NH2-OE1 2.7Å; R514-E518 PolarHBondContact NH2-OE1 3.4Å; R514-E518 IonicContact NH2-OE2 2.75Å; R514-E518 PolarHBondContact NH2-OE2 3.28Å; R514-E518 WeakPolarHBondContact O-CG 3.4Å; R514-E518 PolarHBondContact O-N 3.36Å; E518-L521 PolarHBondContact O-N 3.25Å; E518-L522 PolarHBondContact O-N 3Å
519A80Confident79.1Confident63 Ų6395.3 Ų95.352%0.52148%0.481SS..Hα-helixtrans-65.2-42.2176.300000112.4N515 A516 L522 R523N515-A519 WeakPolarHBondContact O-CB 3.37Å; N515-A519 PolarHBondContact O-N 3.3Å; A516-A519 PolarHBondContact O-N 2.91Å; A519-L522 PolarHBondContact O-N 3Å; A519-R523 PolarHBondContact O-N 3Å
520E77Confident79.5Confident72 Ų7291.5 Ų91.534%0.33647%0.47SS..Hα-helixtrans-66.2-39.7176.1178.854.4-153.800112A516 M517 L522 R523 Q524A516-E520 PolarHBondContact O-N 2.87Å; M517-E520 PolarHBondContact O-N 3Å; E520-L522 VanDerWaalsContact C-N 3.32Å; E520-L522 PolarHBondContact O-N 3.31Å; E520-R523 WeakPolarHBondContact O-CB 3.32Å; E520-R523 PolarHBondContact O-N 3.11Å; E520-R523 IonicContact OE1-CZ 3.41Å; E520-R523 IonicContact OE1-NE 3.82Å; E520-R523 PolarHBondContact OE1-NE 3.02Å; E520-R523 IonicContact OE1-NH2 3.26Å; E520-R523 PolarHBondContact OE1-NH2 3.24Å; E520-R523 IonicContact OE2-CZ 3.81Å; E520-R523 IonicContact OE2-NE 3.38Å; E520-R523 PolarHBondContact OE2-NE 3.36Å; E520-R523 IonicContact OE2-NH2 3.21Å; E520-Q524 WeakPolarHBondContact O-CG 3.41Å; E520-Q524 PolarHBondContact O-N 3.12Å; E520-Q524 PolarHBondContact OE1-NE2 3.15Å
521L78.4Confident80Confident93 Ų9393.6 Ų93.649%0.48747%0.472SS..Hα-helixtrans-62.3-38.7173.3-175.968.6000111.9M517 E518 Q524 K525M517-L521 WeakPolarHBondContact O-CB 3.32Å; M517-L521 PolarHBondContact O-N 3.44Å; E518-L521 PolarHBondContact O-N 3.25Å; L521-Q524 PolarHBondContact O-N 2.91Å; L521-K525 WeakPolarHBondContact O-CG 3.07Å; L521-K525 PolarHBondContact O-N 3.2Å
522L82.3Confident80.3Confident108 Ų10892.9 Ų92.957%0.56548%0.479SS*.Hα-helixtrans-64.5-44.9175.3-137.5102000111.1E518 A519 E520 Q524 K525 E526E518-L522 PolarHBondContact O-N 3Å; A519-L522 PolarHBondContact O-N 3Å; E520-L522 VanDerWaalsContact C-N 3.32Å; E520-L522 PolarHBondContact O-N 3.31Å; L522-Q524 PolarHBondContact O-N 2.92Å; L522-K525 WeakPolarHBondContact O-CB 3.5Å; L522-K525 PolarHBondContact O-N 2.71Å; L522-E526 PolarHBondContact O-N 2.79Å
523R84.4Confident80.4Confident94 Ų9489.1 Ų89.136%0.35547%0.468SS..Hα-helixtrans-57.3-46.8175.7-164.9-17173.168.516.3111.5A519 E520 E526 E527A519-R523 PolarHBondContact O-N 3Å; E520-R523 WeakPolarHBondContact O-CB 3.32Å; E520-R523 PolarHBondContact O-N 3.11Å; E520-R523 IonicContact OE1-CZ 3.41Å; E520-R523 IonicContact OE1-NE 3.82Å; E520-R523 PolarHBondContact OE1-NE 3.02Å; E520-R523 IonicContact OE1-NH2 3.26Å; E520-R523 PolarHBondContact OE1-NH2 3.24Å; E520-R523 IonicContact OE2-CZ 3.81Å; E520-R523 IonicContact OE2-NE 3.38Å; E520-R523 PolarHBondContact OE2-NE 3.36Å; E520-R523 IonicContact OE2-NH2 3.21Å; R523-E526 PolarHBondContact O-N 3.15Å; R523-E527 IonicContact CZ-OE1 2.67Å; R523-E527 IonicContact CZ-OE2 2.78Å; R523-E527 IonicContact NH1-OE1 3.45Å; R523-E527 PolarHBondContact NH1-OE1 3Å; R523-E527 IonicContact NH1-OE2 3.1Å; R523-E527 PolarHBondContact NH1-OE2 2.93Å; R523-E527 IonicContact NH2-OE2 2.77Å; R523-E527 PolarHBondContact NH2-OE2 3.36Å; R523-E527 WeakPolarHBondContact O-CG 3.46Å; R523-E527 PolarHBondContact O-N 3.16Å
524Q81.5Confident80.7Confident79 Ų7989.7 Ų89.737%0.36947%0.469SS..Hα-helixtrans-64.8-38.6177.1-70.3176.213.500112.4E520 L521 L522 E526 E527 H528E520-Q524 WeakPolarHBondContact O-CG 3.41Å; E520-Q524 PolarHBondContact O-N 3.12Å; E520-Q524 PolarHBondContact OE1-NE2 3.15Å; L521-Q524 PolarHBondContact O-N 2.91Å; L522-Q524 PolarHBondContact O-N 2.92Å; Q524-E526 VanDerWaalsContact C-N 3.35Å; Q524-E526 PolarHBondContact O-N 2.97Å; Q524-E527 PolarHBondContact O-N 2.9Å; Q524-H528 WeakPolarHBondContact O-CB 3.49Å; Q524-H528 PolarHBondContact O-CD2 3.02Å; Q524-H528 PolarHBondContact O-N 3.14Å
525K83.3Confident81.1Confident115 Ų11587.6 Ų87.650%0.547%0.469SS..Hα-helixtrans-61.1-41.2173.1-76.9178.2177.1-175.80112.1L521 L522 G529L521-K525 WeakPolarHBondContact O-CG 3.07Å; L521-K525 PolarHBondContact O-N 3.2Å; L522-K525 WeakPolarHBondContact O-CB 3.5Å; L522-K525 PolarHBondContact O-N 2.71Å; K525-G529 PolarHBondContact O-N 3.49Å
526E83.6Confident81.4Confident117 Ų11789.5 Ų89.555%0.54747%0.474SS..Hα-helixtrans-65.6-38.9175.1-71.1-175.8-177.500112.7L522 R523 Q524 G529 Q530L522-E526 PolarHBondContact O-N 2.79Å; R523-E526 PolarHBondContact O-N 3.15Å; Q524-E526 VanDerWaalsContact C-N 3.35Å; Q524-E526 PolarHBondContact O-N 2.97Å; E526-G529 PolarHBondContact O-N 3.49Å; E526-Q530 WeakPolarHBondContact O-CG 3.48Å; E526-Q530 PolarHBondContact O-N 3.14Å; E526-Q530 PolarHBondContact O-NE2 2.79Å
527E81.5Confident81.8Confident82 Ų8290.1 Ų90.138%0.38347%0.468SS..Hα-helixtrans-68.6-42.8176.6-72.4-176152.600112.2R523 Q524 G529 Q530 L531R523-E527 IonicContact CZ-OE1 2.67Å; R523-E527 IonicContact CZ-OE2 2.78Å; R523-E527 IonicContact NH1-OE1 3.45Å; R523-E527 PolarHBondContact NH1-OE1 3Å; R523-E527 IonicContact NH1-OE2 3.1Å; R523-E527 PolarHBondContact NH1-OE2 2.93Å; R523-E527 IonicContact NH2-OE2 2.77Å; R523-E527 PolarHBondContact NH2-OE2 3.36Å; R523-E527 WeakPolarHBondContact O-CG 3.46Å; R523-E527 PolarHBondContact O-N 3.16Å; Q524-E527 PolarHBondContact O-N 2.9Å; E527-G529 VanDerWaalsContact C-N 3.32Å; E527-G529 PolarHBondContact O-N 2.92Å; E527-Q530 PolarHBondContact O-N 3.15Å; E527-L531 WeakPolarHBondContact O-CB 3.42Å; E527-L531 PolarHBondContact O-N 3.21Å
528H80.1Confident82.3Confident127 Ų12789.3 Ų89.359%0.58847%0.466SS*.Hα-helixtrans-62.4-37.8171.9-77.2-59.1000112.2Q524 L531 A532Q524-H528 WeakPolarHBondContact O-CB 3.49Å; Q524-H528 PolarHBondContact O-CD2 3.02Å; Q524-H528 PolarHBondContact O-N 3.14Å; H528-L531 PolarHBondContact O-N 3.21Å; H528-A532 VanDerWaalsContact O-CB 3.28Å; H528-A532 WeakPolarHBondContact O-CB 3.46Å; H528-A532 PolarHBondContact O-N 3.01Å
529G84.1Confident82.7Confident44 Ų4489.5 Ų89.545%0.45447%0.467SS..Hα-helixtrans-63.7-43.7173.500000113K525 E526 E527 Q533K525-G529 PolarHBondContact O-N 3.49Å; E526-G529 PolarHBondContact O-N 3.49Å; E527-G529 VanDerWaalsContact C-N 3.32Å; E527-G529 PolarHBondContact O-N 2.92Å; G529-Q533 PolarHBondContact O-N 2.99Å
530Q84.2Confident83Confident84 Ų8489.9 Ų89.939%0.39346%0.46SS..Hα-helixtrans-61.1-48.1173.3-79.315974.200111E526 E527 Q533 T534E526-Q530 WeakPolarHBondContact O-CG 3.48Å; E526-Q530 PolarHBondContact O-N 3.14Å; E526-Q530 PolarHBondContact O-NE2 2.79Å; E527-Q530 PolarHBondContact O-N 3.15Å; Q530-Q533 PolarHBondContact O-N 3.09Å; Q530-T534 PolarHBondContact O-N 3.04Å; Q530-T534 PolarHBondContact O-OG1 3.35Å
531L82.3Confident83.2Confident105 Ų10591.1 Ų91.155%0.5547%0.469SS..Hα-helixtrans-62.7-44.3179.8-173.665.7000112.4E527 H528 Q533 T534 V535E527-L531 WeakPolarHBondContact O-CB 3.42Å; E527-L531 PolarHBondContact O-N 3.21Å; H528-L531 PolarHBondContact O-N 3.21Å; L531-Q533 VanDerWaalsContact C-N 3.29Å; L531-Q533 PolarHBondContact O-N 3.41Å; L531-T534 PolarHBondContact O-N 3.33Å; L531-V535 WeakPolarHBondContact O-CG2 3.46Å; L531-V535 PolarHBondContact O-N 2.95Å
532A81.2Confident83.4Confident61 Ų6192 Ų9250%0.50447%0.474SS..Hα-helixtrans-61.9-36.8177.600000112.2H528 K536H528-A532 VanDerWaalsContact O-CB 3.28Å; H528-A532 WeakPolarHBondContact O-CB 3.46Å; H528-A532 PolarHBondContact O-N 3.01Å; A532-K536 WeakPolarHBondContact O-CB 3.37Å; A532-K536 PolarHBondContact O-N 2.72Å
533Q83.4Confident83.6Confident98 Ų9893.3 Ų93.346%0.45847%0.471SS..Hα-helixtrans-70.1-38.6174.5-174.557.755.700112G529 Q530 L531 K536 N537G529-Q533 PolarHBondContact O-N 2.99Å; Q530-Q533 PolarHBondContact O-N 3.09Å; L531-Q533 VanDerWaalsContact C-N 3.29Å; L531-Q533 PolarHBondContact O-N 3.41Å; Q533-K536 PolarHBondContact O-N 3.15Å; Q533-N537 PolarHBondContact NE2-OD1 2.88Å; Q533-N537 VanDerWaalsContact O-CG 3.28Å; Q533-N537 PolarHBondContact O-N 3.05Å; Q533-N537 PolarHBondContact O-OD1 3.01Å
534T83.4Confident83.4Confident76 Ų7693.8 Ų93.847%0.46648%0.477SS..Hα-helixtrans-62.9-46173.9-57.70000111.7Q530 L531 K536 N537 L538Q530-T534 PolarHBondContact O-N 3.04Å; Q530-T534 PolarHBondContact O-OG1 3.35Å; L531-T534 PolarHBondContact O-N 3.33Å; T534-K536 VanDerWaalsContact C-N 3.31Å; T534-K536 PolarHBondContact O-N 3.02Å; T534-N537 WeakPolarHBondContact O-CB 3.47Å; T534-N537 PolarHBondContact O-N 3.01Å; T534-N537 VanDerWaalsContact O-N 3.14Å; T534-L538 HydrophobicContact CG2-CD1 4.25Å; T534-L538 WeakPolarHBondContact O-CG 3.29Å; T534-L538 PolarHBondContact O-N 3.38Å
535V83.5Confident83.3Confident71 Ų7192.6 Ų92.643%0.4348%0.481SS..Hα-helixtrans-57.4-45.2174.9170.50000110.8L531 N537 L538 E539L531-V535 WeakPolarHBondContact O-CG2 3.46Å; L531-V535 PolarHBondContact O-N 2.95Å; V535-N537 VanDerWaalsContact C-N 3.3Å; V535-N537 PolarHBondContact O-N 3.46Å; V535-L538 PolarHBondContact O-N 3.3Å; V535-E539 WeakPolarHBondContact O-CG 3.48Å; V535-E539 PolarHBondContact O-N 2.92Å
536K87.5Confident83.3Confident117 Ų11791.3 Ų91.351%0.50948%0.479SS..Hα-helixtrans-63.7-32.1177.8-174.5177.9178.8-177.40113.5A532 Q533 T534 N540A532-K536 WeakPolarHBondContact O-CB 3.37Å; A532-K536 PolarHBondContact O-N 2.72Å; Q533-K536 PolarHBondContact O-N 3.15Å; T534-K536 VanDerWaalsContact C-N 3.31Å; T534-K536 PolarHBondContact O-N 3.02Å; K536-N540 VanDerWaalsContact O-CG 3.31Å; K536-N540 PolarHBondContact O-N 3.2Å; K536-N540 PolarHBondContact O-ND2 3.4Å
537N85.1Confident83.3Confident75 Ų7590.3 Ų90.340%0.40148%0.477SS..Hα-helixtrans-68.4-51.8173.4-67.3-3.6000110Q533 T534 V535 E539 N540 D541Q533-N537 PolarHBondContact NE2-OD1 2.88Å; Q533-N537 VanDerWaalsContact O-CG 3.28Å; Q533-N537 PolarHBondContact O-N 3.05Å; Q533-N537 PolarHBondContact O-OD1 3.01Å; T534-N537 WeakPolarHBondContact O-CB 3.47Å; T534-N537 PolarHBondContact O-N 3.01Å; T534-N537 VanDerWaalsContact O-N 3.14Å; V535-N537 VanDerWaalsContact C-N 3.3Å; V535-N537 PolarHBondContact O-N 3.46Å; N537-E539 VanDerWaalsContact C-N 3.27Å; N537-E539 PolarHBondContact O-N 3.5Å; N537-N540 WeakPolarHBondContact O-CA 3.47Å; N537-N540 WeakPolarHBondContact O-CB 3.3Å; N537-N540 PolarHBondContact O-N 3.38Å; N537-D541 VanDerWaalsContact O-CG 3.26Å; N537-D541 PolarHBondContact O-N 3.1Å
538L83.1Confident83.2Confident106 Ų10689.6 Ų89.656%0.55548%0.475SS*.Hα-helixtrans-58.7-34.8178.1-66.2171.6000113T534 V535 N540 D541 L542T534-L538 HydrophobicContact CG2-CD1 4.25Å; T534-L538 WeakPolarHBondContact O-CG 3.29Å; T534-L538 PolarHBondContact O-N 3.38Å; V535-L538 PolarHBondContact O-N 3.3Å; L538-N540 VanDerWaalsContact C-N 3.32Å; L538-N540 PolarHBondContact O-N 3.18Å; L538-D541 PolarHBondContact O-N 2.99Å; L538-L542 VanDerWaalsContact O-CB 3.3Å; L538-L542 WeakPolarHBondContact O-CB 3.43Å; L538-L542 PolarHBondContact O-N 3.42Å
539E85.9Confident83.4Confident93 Ų9389 Ų8944%0.43547%0.471SS..Hα-helixtrans-63.6-33.8171.5-79.3-171.1-176.400113.4V535 N537 R543V535-E539 WeakPolarHBondContact O-CG 3.48Å; V535-E539 PolarHBondContact O-N 2.92Å; N537-E539 VanDerWaalsContact C-N 3.27Å; N537-E539 PolarHBondContact O-N 3.5Å; E539-R543 VanDerWaalsContact O-CG 3.29Å; E539-R543 WeakPolarHBondContact O-CG 3.41Å; E539-R543 PolarHBondContact O-N 3.37Å; E539-R543 IonicContact OE2-NH2 2.64Å; E539-R543 PolarHBondContact OE2-NH2 3.11Å
540N86.2Confident83.4Confident70 Ų7093.1 Ų93.137%0.37448%0.479SS..Hα-helixtrans-77.1-41.1176.3-63.8-35.7000110.9K536 N537 L538 L542 R543 Q544K536-N540 VanDerWaalsContact O-CG 3.31Å; K536-N540 PolarHBondContact O-N 3.2Å; K536-N540 PolarHBondContact O-ND2 3.4Å; N537-N540 WeakPolarHBondContact O-CA 3.47Å; N537-N540 WeakPolarHBondContact O-CB 3.3Å; N537-N540 PolarHBondContact O-N 3.38Å; L538-N540 VanDerWaalsContact C-N 3.32Å; L538-N540 PolarHBondContact O-N 3.18Å; N540-L542 VanDerWaalsContact C-N 3.3Å; N540-L542 PolarHBondContact O-N 3.01Å; N540-R543 WeakPolarHBondContact O-CB 3.31Å; N540-R543 PolarHBondContact O-N 3.03Å; N540-R543 VanDerWaalsContact O-N 3.12Å; N540-R543 PolarHBondContact OD1-NH1 3.39Å; N540-Q544 PolarHBondContact O-N 3.49Å
541D81.8Confident83.4Confident98 Ų9896.3 Ų96.352%0.52449%0.488SS..Hα-helixtrans-61.1-42177-55.6-27.4000110.4N537 L538 R543 Q544 A545N537-D541 VanDerWaalsContact O-CG 3.26Å; N537-D541 PolarHBondContact O-N 3.1Å; L538-D541 PolarHBondContact O-N 2.99Å; D541-R543 PolarHBondContact O-N 3.46Å; D541-Q544 PolarHBondContact O-N 3.42Å; D541-A545 WeakPolarHBondContact O-CB 3.2Å; D541-A545 PolarHBondContact O-N 3.05Å
542L83.1Confident83.3Confident112 Ų11299.6 Ų99.659%0.58649%0.493SS*.Hα-helixtrans-63.5-39.1173.2-17962.3000112.7L538 N540 L546L538-L542 VanDerWaalsContact O-CB 3.3Å; L538-L542 WeakPolarHBondContact O-CB 3.43Å; L538-L542 PolarHBondContact O-N 3.42Å; N540-L542 VanDerWaalsContact C-N 3.3Å; N540-L542 PolarHBondContact O-N 3.01Å; L542-L546 HydrophobicContact CG-CD1 4.43Å; L542-L546 VanDerWaalsContact O-CG 3.31Å; L542-L546 WeakPolarHBondContact O-CG 3.33Å; L542-L546 PolarHBondContact O-N 3.22Å
543R85.6Confident83.4Confident136 Ų136101 Ų10151%0.51349%0.49SS..Hα-helixtrans-64.4-40.9174.4-75.7172.7-165.8134.913.6111.4E539 N540 D541 L546 I547E539-R543 VanDerWaalsContact O-CG 3.29Å; E539-R543 WeakPolarHBondContact O-CG 3.41Å; E539-R543 PolarHBondContact O-N 3.37Å; E539-R543 IonicContact OE2-NH2 2.64Å; E539-R543 PolarHBondContact OE2-NH2 3.11Å; N540-R543 WeakPolarHBondContact O-CB 3.31Å; N540-R543 PolarHBondContact O-N 3.03Å; N540-R543 VanDerWaalsContact O-N 3.12Å; N540-R543 PolarHBondContact OD1-NH1 3.39Å; D541-R543 PolarHBondContact O-N 3.46Å; R543-L546 PolarHBondContact O-N 3Å; R543-I547 WeakPolarHBondContact O-CG1 3.31Å; R543-I547 PolarHBondContact O-N 3.17Å; R543-I547 VanDerWaalsContact O-N 3.12Å
544Q81.9Confident83.4Confident103 Ų10399.9 Ų99.948%0.48149%0.492SS..Hα-helixtrans-64.8-47.6176.9-171.159.252.800110.9N540 D541 L546 I547 D548N540-Q544 PolarHBondContact O-N 3.49Å; D541-Q544 PolarHBondContact O-N 3.42Å; Q544-L546 PolarHBondContact O-N 3.01Å; Q544-I547 WeakPolarHBondContact O-CB 3.45Å; Q544-I547 PolarHBondContact O-N 3.07Å; Q544-D548 PolarHBondContact NE2-OD1 2.87Å; Q544-D548 PolarHBondContact O-N 2.79Å
545A79.2Confident83.2Confident55 Ų5597.8 Ų97.846%0.45548%0.483SS..Hα-helixtrans-59.4-32.517700000113.5D541 K549D541-A545 WeakPolarHBondContact O-CB 3.2Å; D541-A545 PolarHBondContact O-N 3.05Å; A545-K549 VanDerWaalsContact O-CB 3.27Å; A545-K549 WeakPolarHBondContact O-CB 3.26Å; A545-K549 PolarHBondContact O-N 3.22Å
546L82.8Confident83Confident87 Ų8798.2 Ų98.246%0.45548%0.482SS..Hα-helixtrans-70.8-40.8173.3-73.1171.3000112.6L542 R543 Q544 K549 E550L542-L546 HydrophobicContact CG-CD1 4.43Å; L542-L546 VanDerWaalsContact O-CG 3.31Å; L542-L546 WeakPolarHBondContact O-CG 3.33Å; L542-L546 PolarHBondContact O-N 3.22Å; R543-L546 PolarHBondContact O-N 3Å; Q544-L546 PolarHBondContact O-N 3.01Å; L546-K549 PolarHBondContact O-N 2.92Å; L546-E550 WeakPolarHBondContact O-CG 3.28Å; L546-E550 PolarHBondContact O-N 3.27Å
547I84.4Confident82.9Confident96 Ų96100.4 Ų100.449%0.49249%0.487SS..Hα-helixtrans-62.7-46.1174.3-68.1164.1000110.3R543 Q544 K549 E550 Y551R543-I547 WeakPolarHBondContact O-CG1 3.31Å; R543-I547 PolarHBondContact O-N 3.17Å; R543-I547 VanDerWaalsContact O-N 3.12Å; Q544-I547 WeakPolarHBondContact O-CB 3.45Å; Q544-I547 PolarHBondContact O-N 3.07Å; I547-K549 VanDerWaalsContact C-N 3.31Å; I547-K549 PolarHBondContact O-N 3.39Å; I547-E550 PolarHBondContact O-N 3.12Å; I547-Y551 PolarHBondContact O-N 3.12Å
548D79.3Confident82.8Confident67 Ų6799.6 Ų99.636%0.35849%0.488SS..Hα-helixtrans-63.2-40.3179.1-60.7-19.1000110.5Q544 Y551 W552Q544-D548 PolarHBondContact NE2-OD1 2.87Å; Q544-D548 PolarHBondContact O-N 2.79Å; D548-Y551 WeakPolarHBondContact O-CB 3.36Å; D548-Y551 PolarHBondContact O-N 2.92Å; D548-W552 PolarHBondContact O-N 3.5Å
549K83.7Confident82.7Confident116 Ų11697.4 Ų97.450%0.50448%0.481SS..Hα-helixtrans-60.1-46.1172.9177.5-176.3174.1-177.60112.4A545 L546 I547 Y551 W552 Q553A545-K549 VanDerWaalsContact O-CB 3.27Å; A545-K549 WeakPolarHBondContact O-CB 3.26Å; A545-K549 PolarHBondContact O-N 3.22Å; L546-K549 PolarHBondContact O-N 2.92Å; I547-K549 VanDerWaalsContact C-N 3.31Å; I547-K549 PolarHBondContact O-N 3.39Å; K549-Y551 VanDerWaalsContact C-N 3.32Å; K549-W552 PolarHBondContact O-N 2.91Å; K549-Q553 HydrophobicContact CG-CG 4.48Å; K549-Q553 WeakPolarHBondContact O-CB 3.5Å; K549-Q553 VanDerWaalsContact O-CG 3.32Å; K549-Q553 WeakPolarHBondContact O-CG 3.44Å; K549-Q553 PolarHBondContact O-N 3.45Å
550E83.3Confident82.5Confident130 Ų13096.4 Ų96.461%0.60748%0.478SS*.Hα-helixtrans-64.2-37.8177.8-74.6-180178.900111.8L546 I547 S554L546-E550 WeakPolarHBondContact O-CG 3.28Å; L546-E550 PolarHBondContact O-N 3.27Å; I547-E550 PolarHBondContact O-N 3.12Å; E550-S554 WeakPolarHBondContact O-CB 3.37Å; E550-S554 PolarHBondContact O-N 3.44Å; E550-S554 PolarHBondContact O-OG 2.93Å
551Y85.7Confident82.2Confident150 Ų15097.6 Ų97.659%0.58848%0.484SS*.Hα-helixtrans-60.8-52.6171.5173.8-94.7000111.7I547 D548 K549 Q553 S554 A555I547-Y551 PolarHBondContact O-N 3.12Å; D548-Y551 WeakPolarHBondContact O-CB 3.36Å; D548-Y551 PolarHBondContact O-N 2.92Å; K549-Y551 VanDerWaalsContact C-N 3.32Å; Y551-Q553 PolarHBondContact O-N 2.93Å; Y551-S554 PolarHBondContact O-N 3.36Å; Y551-S554 VanDerWaalsContact O-N 3.12Å; Y551-A555 WeakPolarHBondContact O-CB 3.46Å; Y551-A555 PolarHBondContact O-N 2.94Å
552W79.5Confident82.3Confident174 Ų17498 Ų9866%0.65948%0.483SS*.Hα-helixtrans-63.7-37.3179.8-72.8119.4000113D548 K549 S554 A555 L556D548-W552 PolarHBondContact O-N 3.5Å; K549-W552 PolarHBondContact O-N 2.91Å; W552-S554 VanDerWaalsContact C-N 3.33Å; W552-A555 PolarHBondContact O-N 3.44Å; W552-L556 VanDerWaalsContact O-CB 3.27Å; W552-L556 WeakPolarHBondContact O-CB 3.34Å; W552-L556 PolarHBondContact O-N 3.49Å
553Q82.9Confident81.9Confident92 Ų9295.7 Ų95.743%0.4347%0.471SS..Hα-helixtrans-64.5-37.5173.2-75.4-174.4-1900112.3K549 Y551 R557K549-Q553 HydrophobicContact CG-CG 4.48Å; K549-Q553 WeakPolarHBondContact O-CB 3.5Å; K549-Q553 VanDerWaalsContact O-CG 3.32Å; K549-Q553 WeakPolarHBondContact O-CG 3.44Å; K549-Q553 PolarHBondContact O-N 3.45Å; Y551-Q553 PolarHBondContact O-N 2.93Å; Q553-R557 WeakPolarHBondContact O-CG 3.38Å; Q553-R557 PolarHBondContact O-N 3.37Å; Q553-R557 VanDerWaalsContact O-N 3.08Å
554S83.6Confident81.7Confident74 Ų7494.8 Ų94.852%0.51747%0.472SS..Hα-helixtrans-71.2-42.1177.3-56.70000111.7E550 Y551 W552 R557 S558E550-S554 WeakPolarHBondContact O-CB 3.37Å; E550-S554 PolarHBondContact O-N 3.44Å; E550-S554 PolarHBondContact O-OG 2.93Å; Y551-S554 PolarHBondContact O-N 3.36Å; Y551-S554 VanDerWaalsContact O-N 3.12Å; W552-S554 VanDerWaalsContact C-N 3.33Å; S554-R557 PolarHBondContact O-N 3.27Å; S554-S558 PolarHBondContact O-N 2.92Å
555A80.1Confident81.8Confident32 Ų3295.4 Ų95.426%0.26448%0.479SS..Hα-helixtrans-62.3-45.6174.300000111.6Y551 W552 R557 S558 S559Y551-A555 WeakPolarHBondContact O-CB 3.46Å; Y551-A555 PolarHBondContact O-N 2.94Å; W552-A555 PolarHBondContact O-N 3.44Å; A555-R557 PolarHBondContact O-N 3.34Å; A555-S558 PolarHBondContact O-N 3.19Å; A555-S559 PolarHBondContact O-N 2.98Å; A555-S559 PolarHBondContact O-OG 3.41Å
556L79.3Confident81.7Confident80 Ų8097.8 Ų97.842%0.41948%0.479SS..Hα-helixtrans-62-43.5177.8-177.263.1000111.9W552 S559 I560W552-L556 VanDerWaalsContact O-CB 3.27Å; W552-L556 WeakPolarHBondContact O-CB 3.34Å; W552-L556 PolarHBondContact O-N 3.49Å; L556-S559 PolarHBondContact O-N 3.37Å; L556-I560 HydrophobicContact CD1-CD1 4.25Å; L556-I560 HydrophobicContact CG-CD1 3.95Å; L556-I560 WeakPolarHBondContact O-CB 3.42Å; L556-I560 VanDerWaalsContact O-CG1 3.26Å; L556-I560 WeakPolarHBondContact O-CG1 3.48Å; L556-I560 PolarHBondContact O-N 2.92Å
557R83.9Confident81.6Confident163 Ų16398.5 Ų98.562%0.61548%0.48SS*.Hα-helixtrans-59.6-48.1173.5-75.7174.9-176.7167.82.6111.7Q553 S554 A555 S559 I560 D561Q553-R557 WeakPolarHBondContact O-CG 3.38Å; Q553-R557 PolarHBondContact O-N 3.37Å; Q553-R557 VanDerWaalsContact O-N 3.08Å; S554-R557 PolarHBondContact O-N 3.27Å; A555-R557 PolarHBondContact O-N 3.34Å; R557-S559 VanDerWaalsContact C-N 3.3Å; R557-S559 PolarHBondContact O-N 2.96Å; R557-I560 CarbonylContact O-C 3.59Å; R557-I560 WeakPolarHBondContact O-CB 3.47Å; R557-I560 PolarHBondContact O-N 3.47Å; R557-D561 VanDerWaalsContact O-CG 3.26Å; R557-D561 PolarHBondContact O-N 2.96Å
558S83.2Confident81.6Confident58 Ų5896.8 Ų96.841%0.40648%0.477SS..Hα-helixtrans-60-38.7178.4-172.70000112.8S554 A555 D561 Q562S554-S558 PolarHBondContact O-N 2.92Å; A555-S558 PolarHBondContact O-N 3.19Å; S558-D561 PolarHBondContact O-N 3.1Å; S558-Q562 VanDerWaalsContact O-CG 3.28Å; S558-Q562 WeakPolarHBondContact O-CG 3.37Å; S558-Q562 PolarHBondContact O-N 2.81Å
559S82.4Confident82Confident60 Ų6097.7 Ų97.742%0.4248%0.481SS..Hα-helixtrans-66.7-39.5173.4-62.30000112.4A555 L556 R557 Q562 L563A555-S559 PolarHBondContact O-N 2.98Å; A555-S559 PolarHBondContact O-OG 3.41Å; L556-S559 PolarHBondContact O-N 3.37Å; R557-S559 VanDerWaalsContact C-N 3.3Å; R557-S559 PolarHBondContact O-N 2.96Å; S559-Q562 PolarHBondContact O-N 2.98Å; S559-L563 WeakPolarHBondContact O-CG 3.37Å; S559-L563 PolarHBondContact O-N 2.99Å
560I80.5Confident81.6Confident71 Ų7194.4 Ų94.436%0.36447%0.468SS..Hα-helixtrans-64.6-42.9175.2-71.3167000110.9L556 R557 L563 H564L556-I560 HydrophobicContact CD1-CD1 4.25Å; L556-I560 HydrophobicContact CG-CD1 3.95Å; L556-I560 WeakPolarHBondContact O-CB 3.42Å; L556-I560 VanDerWaalsContact O-CG1 3.26Å; L556-I560 WeakPolarHBondContact O-CG1 3.48Å; L556-I560 PolarHBondContact O-N 2.92Å; R557-I560 CarbonylContact O-C 3.59Å; R557-I560 WeakPolarHBondContact O-CB 3.47Å; R557-I560 PolarHBondContact O-N 3.47Å; I560-L563 PolarHBondContact O-N 2.84Å; I560-H564 VanDerWaalsContact CG2-CE1 3.41Å; I560-H564 WeakPolarHBondContact CG2-CE1 3.37Å; I560-H564 WeakPolarHBondContact CG2-ND1 3.38Å; I560-H564 PolarHBondContact O-N 3.44Å; I560-H564 PolarHBondContact O-ND1 3.5Å
561D81Confident81.6Confident96 Ų9693.7 Ų93.751%0.51347%0.465SS..Hα-helixtrans-64.8-39.8177.3-63.3-26.4000111.2R557 S558 H564 N565R557-D561 VanDerWaalsContact O-CG 3.26Å; R557-D561 PolarHBondContact O-N 2.96Å; S558-D561 PolarHBondContact O-N 3.1Å; D561-H564 PolarHBondContact O-N 3.34Å; D561-N565 VanDerWaalsContact O-CG 3.29Å; D561-N565 PolarHBondContact O-N 2.67Å; D561-N565 PolarHBondContact O-ND2 2.93Å
562Q82.3Confident81.5Confident107 Ų10791.4 Ų91.450%0.546%0.463SS..Hα-helixtrans-60-44.6172-74.7172.321.500111.6S558 S559 N565 F566S558-Q562 VanDerWaalsContact O-CG 3.28Å; S558-Q562 WeakPolarHBondContact O-CG 3.37Å; S558-Q562 PolarHBondContact O-N 2.81Å; S559-Q562 PolarHBondContact O-N 2.98Å; Q562-N565 PolarHBondContact O-N 3.03Å; Q562-F566 VanDerWaalsContact O-CD2 3.24Å; Q562-F566 WeakPolarHBondContact O-CD2 3.48Å; Q562-F566 PolarHBondContact O-N 3.06Å
563L74.6Confident81.7Confident62 Ų6288.2 Ų88.233%0.32545%0.451SS..Hα-helixtrans-63-42.6178.1-71.6171.4000112.6S559 I560 N565 F566 E567 F619S559-L563 WeakPolarHBondContact O-CG 3.37Å; S559-L563 PolarHBondContact O-N 2.99Å; I560-L563 PolarHBondContact O-N 2.84Å; L563-N565 VanDerWaalsContact C-N 3.34Å; L563-N565 PolarHBondContact O-N 3.46Å; L563-F566 PolarHBondContact O-N 3.23Å; L563-E567 WeakPolarHBondContact O-CB 3.43Å; L563-E567 PolarHBondContact O-N 3.28Å; L563-F619 HydrophobicContact CD1-CE1 4.27Å; L563-F619 HydrophobicContact CD2-CE1 3.84Å; L563-F619 HydrophobicContact CD2-CZ 4.09Å
564H81.2Confident81.5Confident118 Ų11889.5 Ų89.555%0.54646%0.457SS..Hα-helixtrans-63-39.8175.4-73.889.6000112.1I560 D561 E567 S568I560-H564 VanDerWaalsContact CG2-CE1 3.41Å; I560-H564 WeakPolarHBondContact CG2-CE1 3.37Å; I560-H564 WeakPolarHBondContact CG2-ND1 3.38Å; I560-H564 PolarHBondContact O-N 3.44Å; I560-H564 PolarHBondContact O-ND1 3.5Å; D561-H564 PolarHBondContact O-N 3.34Å; H564-E567 PolarHBondContact O-N 3.45Å; H564-S568 PolarHBondContact O-N 3Å
565N83.9Confident81.5Confident116 Ų11688.5 Ų88.562%0.6245%0.453SS*.Hα-helixtrans-64.3-40175.3-70.7-38.8000112D561 Q562 L563 L569D561-N565 VanDerWaalsContact O-CG 3.29Å; D561-N565 PolarHBondContact O-N 2.67Å; D561-N565 PolarHBondContact O-ND2 2.93Å; Q562-N565 PolarHBondContact O-N 3.03Å; L563-N565 VanDerWaalsContact C-N 3.34Å; L563-N565 PolarHBondContact O-N 3.46Å; N565-L569 WeakPolarHBondContact O-CB 3.44Å; N565-L569 PolarHBondContact O-N 3.44Å; N565-L569 VanDerWaalsContact O-N 3.12Å
566F78.2Confident81.6Confident104 Ų10491.5 Ų91.546%0.45646%0.461SS..Hα-helixtrans-66.7-41173.4-85.6-68.4000112.4Q562 L563 L569 M570Q562-F566 VanDerWaalsContact O-CD2 3.24Å; Q562-F566 WeakPolarHBondContact O-CD2 3.48Å; Q562-F566 PolarHBondContact O-N 3.06Å; L563-F566 PolarHBondContact O-N 3.23Å; F566-L569 PolarHBondContact O-N 3.02Å; F566-M570 WeakPolarHBondContact O-CG 3.43Å; F566-M570 PolarHBondContact O-N 3.18Å
567E80.8Confident81.4Confident102 Ų10290.2 Ų90.248%0.47745%0.452SS..Hα-helixtrans-63.1-44.3177.9-174.3168.9-166.900111.5L563 H564 L569 M570 Q571L563-E567 WeakPolarHBondContact O-CB 3.43Å; L563-E567 PolarHBondContact O-N 3.28Å; H564-E567 PolarHBondContact O-N 3.45Å; E567-L569 PolarHBondContact O-N 3.26Å; E567-M570 PolarHBondContact O-N 3.3Å; E567-Q571 WeakPolarHBondContact O-CG 3.26Å; E567-Q571 PolarHBondContact O-N 2.94Å
568S84.5Confident81.2Confident60 Ų6087 Ų8742%0.4244%0.444SS..Hα-helixtrans-58.9-46.4173.4-166.90000111.8H564 M570 Q571 D572H564-S568 PolarHBondContact O-N 3Å; S568-M570 VanDerWaalsContact C-N 3.29Å; S568-M570 PolarHBondContact O-N 2.7Å; S568-Q571 PolarHBondContact O-N 2.95Å; S568-D572 PolarHBondContact O-N 3.46Å
569L86.8Confident81Confident87 Ų8790.7 Ų90.746%0.45545%0.449SS..Hα-helixtrans-61.6-36.2178.4-177.368.6000112.5N565 F566 E567 R573N565-L569 WeakPolarHBondContact O-CB 3.44Å; N565-L569 PolarHBondContact O-N 3.44Å; N565-L569 VanDerWaalsContact O-N 3.12Å; F566-L569 PolarHBondContact O-N 3.02Å; E567-L569 PolarHBondContact O-N 3.26Å; L569-R573 WeakPolarHBondContact O-CB 3.35Å; L569-R573 WeakPolarHBondContact O-CG 3.42Å; L569-R573 PolarHBondContact O-N 3.17Å; L569-R573 VanDerWaalsContact O-N 3.08Å
570M76.1Confident80.8Confident46 Ų4691.2 Ų91.223%0.22745%0.446CS..Hα-helixtrans-72.7-36.5176.4-69.7-57.7-65.600112.2F566 E567 S568 R573 E574 V612F566-M570 WeakPolarHBondContact O-CG 3.43Å; F566-M570 PolarHBondContact O-N 3.18Å; E567-M570 PolarHBondContact O-N 3.3Å; S568-M570 VanDerWaalsContact C-N 3.29Å; S568-M570 PolarHBondContact O-N 2.7Å; M570-R573 PolarHBondContact O-N 2.79Å; M570-E574 WeakPolarHBondContact O-CB 3.4Å; M570-E574 PolarHBondContact O-N 2.85Å; M570-V612 HydrophobicContact CE-CG2 4.31Å
571Q83.6Confident80.4Confident115 Ų11592.7 Ų92.754%0.53745%0.454SS..Hα-helixtrans-65.2-42.6172.9-70.617715.700111.8E567 S568 E574 A575E567-Q571 WeakPolarHBondContact O-CG 3.26Å; E567-Q571 PolarHBondContact O-N 2.94Å; S568-Q571 PolarHBondContact O-N 2.95Å; Q571-E574 PolarHBondContact O-N 2.86Å; Q571-A575 WeakPolarHBondContact O-CB 3.43Å; Q571-A575 PolarHBondContact O-N 2.66Å
572D84.1Confident80.1Confident103 Ų10395.3 Ų95.355%0.55146%0.461SS*.Hα-helixtrans-61-46.1175.5-73.2-32.5000111.5S568 A575 E576S568-D572 PolarHBondContact O-N 3.46Å; D572-A575 PolarHBondContact O-N 3.39Å; D572-E576 PolarHBondContact O-N 2.97Å
573R81.7Confident79.6Confident107 Ų10795.8 Ų95.840%0.40446%0.463SS..Hα-helixtrans-60.8-45.8173.4-83-179.3163.7-169-5.6112.2L569 M570 A575 E576 F577L569-R573 WeakPolarHBondContact O-CB 3.35Å; L569-R573 WeakPolarHBondContact O-CG 3.42Å; L569-R573 PolarHBondContact O-N 3.17Å; L569-R573 VanDerWaalsContact O-N 3.08Å; M570-R573 PolarHBondContact O-N 2.79Å; R573-A575 VanDerWaalsContact C-N 3.31Å; R573-A575 PolarHBondContact O-N 3.15Å; R573-E576 WeakPolarHBondContact O-CB 3.34Å; R573-E576 PolarHBondContact O-N 3.12Å; R573-E576 VanDerWaalsContact O-N 3.17Å; R573-F577 HydrophobicContact CB-CD2 4.49Å; R573-F577 HydrophobicContact CB-CE2 4.34Å; R573-F577 WeakPolarHBondContact O-CD2 3.49Å; R573-F577 PolarHBondContact O-N 2.82Å
574E79.8Confident79Confident119 Ų11996.2 Ų96.256%0.55648%0.475SS*.Hα-helixtrans-61.8-41.1178.7-171.5177.1172.200111.3M570 Q571 E576 F577 Q578M570-E574 WeakPolarHBondContact O-CB 3.4Å; M570-E574 PolarHBondContact O-N 2.85Å; Q571-E574 PolarHBondContact O-N 2.86Å; E574-E576 VanDerWaalsContact C-N 3.33Å; E574-E576 PolarHBondContact O-N 3.47Å; E574-F577 PolarHBondContact O-N 3.4Å; E574-Q578 WeakPolarHBondContact O-CB 3.34Å; E574-Q578 VanDerWaalsContact O-CG 3.31Å; E574-Q578 WeakPolarHBondContact O-CG 3.27Å; E574-Q578 PolarHBondContact O-N 3.08Å; E574-Q578 PolarHBondContact OE1-NE2 3Å
575A84.2Confident77.7Confident52 Ų5299 Ų9943%0.4349%0.486SS..Hα-helixtrans-63.5-36.3174.400000112.6Q571 D572 R573 R579Q571-A575 WeakPolarHBondContact O-CB 3.43Å; Q571-A575 PolarHBondContact O-N 2.66Å; D572-A575 PolarHBondContact O-N 3.39Å; R573-A575 VanDerWaalsContact C-N 3.31Å; R573-A575 PolarHBondContact O-N 3.15Å; A575-R579 WeakPolarHBondContact O-CB 3.46Å; A575-R579 PolarHBondContact O-N 3.45Å
576E81Confident76Confident95 Ų9596.9 Ų96.944%0.44448%0.48SS..Hα-helixtrans-66.6-47.6173.3-173.9167.9-136.500112D572 R573 E574 Q578 R579 M580D572-E576 PolarHBondContact O-N 2.97Å; R573-E576 WeakPolarHBondContact O-CB 3.34Å; R573-E576 PolarHBondContact O-N 3.12Å; R573-E576 VanDerWaalsContact O-N 3.17Å; E574-E576 VanDerWaalsContact C-N 3.33Å; E574-E576 PolarHBondContact O-N 3.47Å; E576-Q578 VanDerWaalsContact C-N 3.34Å; E576-Q578 PolarHBondContact O-N 3.42Å; E576-R579 WeakPolarHBondContact O-CA 3.43Å; E576-R579 VanDerWaalsContact O-CB 3.31Å; E576-R579 WeakPolarHBondContact O-CB 3.46Å; E576-R579 PolarHBondContact O-N 3.49Å; E576-M580 HydrophobicContact CG-CE 4.43Å; E576-M580 PolarHBondContact O-N 3.1Å
577F74.9Confident74.4Confident53 Ų5397.9 Ų97.923%0.23250%0.497CS..Hα-helixtrans-60.6-40.3173.8-75-65.9000112.4R573 E574 R579 M580 L581 L608R573-F577 HydrophobicContact CB-CD2 4.49Å; R573-F577 HydrophobicContact CB-CE2 4.34Å; R573-F577 WeakPolarHBondContact O-CD2 3.49Å; R573-F577 PolarHBondContact O-N 2.82Å; E574-F577 PolarHBondContact O-N 3.4Å; F577-R579 VanDerWaalsContact C-N 3.26Å; F577-R579 PolarHBondContact O-N 3.16Å; F577-M580 HydrophobicContact CD1-CE 3.37Å; F577-M580 HydrophobicContact CE1-CE 3.57Å; F577-M580 HydrophobicContact CG-CE 4.15Å; F577-M580 HydrophobicContact CZ-CE 4.47Å; F577-M580 PolarHBondContact O-N 3.11Å; F577-L581 WeakPolarHBondContact O-CB 3.19Å; F577-L581 VanDerWaalsContact O-CG 3.29Å; F577-L581 WeakPolarHBondContact O-CG 3.38Å; F577-L581 PolarHBondContact O-N 3.22Å; F577-L608 HydrophobicContact CD1-CD1 4.4Å; F577-L608 HydrophobicContact CD2-CD1 3.88Å; F577-L608 HydrophobicContact CE1-CD1 3.95Å; F577-L608 HydrophobicContact CE2-CD1 3.38Å; F577-L608 HydrophobicContact CE2-CD2 4.09Å; F577-L608 HydrophobicContact CE2-CG 4.38Å; F577-L608 HydrophobicContact CG-CD1 4.41Å; F577-L608 HydrophobicContact CZ-CD1 3.44Å; F577-L608 VanDerWaalsContact CZ-CD1 3.44Å; F577-L608 HydrophobicContact CZ-CD2 4.5Å
578Q80.8Confident72.8Confident96 Ų96100.3 Ų100.345%0.44951%0.513SS..Hα-helixtrans-65.9-27.2174.1-72.9-173.927.100112.9E574 E576 K582E574-Q578 WeakPolarHBondContact O-CB 3.34Å; E574-Q578 VanDerWaalsContact O-CG 3.31Å; E574-Q578 WeakPolarHBondContact O-CG 3.27Å; E574-Q578 PolarHBondContact O-N 3.08Å; E574-Q578 PolarHBondContact OE1-NE2 3Å; E576-Q578 VanDerWaalsContact C-N 3.34Å; E576-Q578 PolarHBondContact O-N 3.42Å; Q578-K582 WeakPolarHBondContact O-CD 3.27Å; Q578-K582 VanDerWaalsContact O-CG 3.32Å; Q578-K582 WeakPolarHBondContact O-CG 3.3Å; Q578-K582 PolarHBondContact O-N 3.01Å
579R79.2Confident71Confident135 Ų135103.9 Ų103.951%0.50953%0.532SS..Hα-helixtrans-73-51.5173.9-160.3-168.8-55.2133.98.1110.7A575 E576 F577 L581 K582 E583A575-R579 WeakPolarHBondContact O-CB 3.46Å; A575-R579 PolarHBondContact O-N 3.45Å; E576-R579 WeakPolarHBondContact O-CA 3.43Å; E576-R579 VanDerWaalsContact O-CB 3.31Å; E576-R579 WeakPolarHBondContact O-CB 3.46Å; E576-R579 PolarHBondContact O-N 3.49Å; F577-R579 VanDerWaalsContact C-N 3.26Å; F577-R579 PolarHBondContact O-N 3.16Å; R579-L581 VanDerWaalsContact C-N 3.3Å; R579-L581 PolarHBondContact O-N 3.36Å; R579-K582 WeakPolarHBondContact O-CA 3.48Å; R579-K582 WeakPolarHBondContact O-CB 3.46Å; R579-K582 PolarHBondContact O-N 3.18Å; R579-E583 WeakPolarHBondContact CG-OE1 3.5Å; R579-E583 PolarHBondContact O-N 3.47Å
580M77.3Confident68.8Low71 Ų71103.9 Ų103.935%0.3554%0.544SS..Hα-helixtrans-57.3-41.1176.3-66.2-169.5-68.300112E576 F577 K582 E583 A584E576-M580 HydrophobicContact CG-CE 4.43Å; E576-M580 PolarHBondContact O-N 3.1Å; F577-M580 HydrophobicContact CD1-CE 3.37Å; F577-M580 HydrophobicContact CE1-CE 3.57Å; F577-M580 HydrophobicContact CG-CE 4.15Å; F577-M580 HydrophobicContact CZ-CE 4.47Å; F577-M580 PolarHBondContact O-N 3.11Å; M580-K582 VanDerWaalsContact C-N 3.26Å; M580-K582 PolarHBondContact O-N 2.9Å; M580-E583 PolarHBondContact O-N 2.95Å; M580-A584 WeakPolarHBondContact O-CB 3.31Å; M580-A584 PolarHBondContact O-N 3.19Å
581L73.1Confident67.5Low103 Ų103107.8 Ų107.854%0.53957%0.566SS.*Hα-helixtrans-67.8-18.2175.6-75.1171.9000114.7F577 R579 K585F577-L581 WeakPolarHBondContact O-CB 3.19Å; F577-L581 VanDerWaalsContact O-CG 3.29Å; F577-L581 WeakPolarHBondContact O-CG 3.38Å; F577-L581 PolarHBondContact O-N 3.22Å; R579-L581 VanDerWaalsContact C-N 3.3Å; R579-L581 PolarHBondContact O-N 3.36Å; L581-K585 WeakPolarHBondContact O-CD 3.27Å; L581-K585 WeakPolarHBondContact O-CG 3.41Å
582K75.1Confident66Low150 Ų150109.1 Ų109.165%0.65258%0.577SS**Hα-helixtrans-86.4-41.9171.3-74169.4-175.5172.40110.8Q578 R579 M580 K585Q578-K582 WeakPolarHBondContact O-CD 3.27Å; Q578-K582 VanDerWaalsContact O-CG 3.32Å; Q578-K582 WeakPolarHBondContact O-CG 3.3Å; Q578-K582 PolarHBondContact O-N 3.01Å; R579-K582 WeakPolarHBondContact O-CA 3.48Å; R579-K582 WeakPolarHBondContact O-CB 3.46Å; R579-K582 PolarHBondContact O-N 3.18Å; M580-K582 VanDerWaalsContact C-N 3.26Å; M580-K582 PolarHBondContact O-N 2.9Å; K582-K585 PolarHBondContact O-N 3.2Å; K582-K585 VanDerWaalsContact O-N 3.17Å
583E71.7Confident64.7Low118 Ų118107.9 Ų107.955%0.55158%0.576SS**Hα-helixtrans-62.5-44.5177.4-70.6166.9-170.800111.3R579 M580 K585 S586R579-E583 WeakPolarHBondContact CG-OE1 3.5Å; R579-E583 PolarHBondContact O-N 3.47Å; M580-E583 PolarHBondContact O-N 2.95Å; E583-K585 PolarHBondContact O-N 3.48Å; E583-K585 VanDerWaalsContact O-N 3.11Å; E583-S586 VanDerWaalsContact O-CB 3.26Å; E583-S586 WeakPolarHBondContact O-CB 3.45Å; E583-S586 PolarHBondContact O-N 3.21Å
584A61.3Low63.6Low70 Ų70105.3 Ų105.358%0.57958%0.578SS**THydrogen-bonded Turntrans-66.4-8.2175.400000115M580M580-A584 WeakPolarHBondContact O-CB 3.31Å; M580-A584 PolarHBondContact O-N 3.19Å
585K54.2Low63Low177 Ų177103.7 Ų103.777%0.7758%0.576SS**THydrogen-bonded Turntrans-94.3-1.2173.1-74.5178-179.3179.90113.5L581 K582 E583L581-K585 WeakPolarHBondContact O-CD 3.27Å; L581-K585 WeakPolarHBondContact O-CG 3.41Å; K582-K585 PolarHBondContact O-N 3.2Å; K582-K585 VanDerWaalsContact O-N 3.17Å; E583-K585 PolarHBondContact O-N 3.48Å; E583-K585 VanDerWaalsContact O-N 3.11Å
586S47.8Very low62.3Low71 Ų71104.5 Ų104.550%0.49758%0.579SS.*SBendtrans-60.9138.4161.6-172.80000109.2E583 L588E583-S586 VanDerWaalsContact O-CB 3.26Å; E583-S586 WeakPolarHBondContact O-CB 3.45Å; E583-S586 PolarHBondContact O-N 3.21Å; S586-L588 VanDerWaalsContact C-N 3.25Å; S586-L588 PolarHBondContact O-N 3.43Å
587P45.1Very low62Low126 Ų126105.9 Ų105.982%0.81859%0.585SS**  trans-72.579.3-178.530.3-35.2000111.1
588L47.5Very low61.9Low153 Ų153107.3 Ų107.380%0.80160%0.598SS**PPolyproline II helixtrans-75.6126.3170.4-86.1162.2000110S586S586-L588 VanDerWaalsContact C-N 3.25Å; S586-L588 PolarHBondContact O-N 3.43Å
589V45.9Very low61.7Low135 Ų135109 Ų10982%0.81861%0.606SS**PPolyproline II helixtrans-59.4141.4-176175.20000111N591V589-N591 PolarHBondContact O-N 2.94Å
590A39.7Very low61.7Low86 Ų86107.8 Ų107.871%0.71161%0.609SS**PPolyproline II helixtrans-51.6129.1-174.500000114.1
591N49.3Very low61.7Low128 Ų128107 Ų10768%0.68461%0.606SS**  trans-162.3151.6157.4-89.8-42000108.6V589 S593 A594V589-N591 PolarHBondContact O-N 2.94Å; N591-S593 PolarHBondContact O-N 3.18Å; N591-A594 PolarHBondContact O-N 3Å
592D53.3Low62.1Low143 Ų143105.9 Ų105.977%0.76560%0.6SS**THydrogen-bonded Turntrans-61.2-13.2-168.8-63-53.6000115.4A594 T595D592-A594 VanDerWaalsContact C-N 3.3Å; D592-A594 PolarHBondContact O-N 3.43Å; D592-T595 PolarHBondContact O-N 3.39Å; D592-T595 PolarHBondContact O-OG1 3.06Å
593S56.7Low62.4Low78 Ų78104.8 Ų104.855%0.54560%0.599SS.*Hα-helixtrans-59.2-37.8174.755.80000112.9N591 T595 S596 E597N591-S593 PolarHBondContact O-N 3.18Å; S593-T595 PolarHBondContact O-N 3.46Å; S593-S596 PolarHBondContact O-N 2.94Å; S593-S596 VanDerWaalsContact O-N 3.07Å; S593-S596 PolarHBondContact O-OG 2.98Å; S593-E597 PolarHBondContact O-N 2.89Å; S593-E597 VanDerWaalsContact O-N 3.13Å
594A58.8Low62.9Low53 Ų53103 Ų10344%0.43859%0.591SS.*Hα-helixtrans-58.8-34.2-179.600000112.2N591 D592 E597 V598N591-A594 PolarHBondContact O-N 3Å; D592-A594 VanDerWaalsContact C-N 3.3Å; D592-A594 PolarHBondContact O-N 3.43Å; A594-E597 PolarHBondContact O-N 3.26Å; A594-V598 WeakPolarHBondContact O-CB 3.44Å; A594-V598 VanDerWaalsContact O-CG2 3.27Å; A594-V598 WeakPolarHBondContact O-CG2 3.31Å; A594-V598 PolarHBondContact O-N 2.91Å
595T65.7Low63.9Low84 Ų84105.5 Ų105.552%0.51559%0.589SS.*Hα-helixtrans-66.1-39.6177.1-40000112.6D592 S593 Q599D592-T595 PolarHBondContact O-N 3.39Å; D592-T595 PolarHBondContact O-OG1 3.06Å; S593-T595 PolarHBondContact O-N 3.46Å; T595-Q599 WeakPolarHBondContact O-CG 3.37Å; T595-Q599 PolarHBondContact O-N 3.05Å; T595-Q599 VanDerWaalsContact O-N 3.17Å
596S71.1Confident65.3Low70 Ų70102.8 Ų102.849%0.4958%0.579SS.*Hα-helixtrans-70.6-38.7177.268.50000112.4S593 Q599 L600S593-S596 PolarHBondContact O-N 2.94Å; S593-S596 VanDerWaalsContact O-N 3.07Å; S593-S596 PolarHBondContact O-OG 2.98Å; S596-Q599 WeakPolarHBondContact O-CB 3.49Å; S596-Q599 PolarHBondContact O-N 2.93Å; S596-L600 PolarHBondContact O-N 3.32Å
597E72.9Confident67.1Low124 Ų124103.3 Ų103.358%0.57958%0.576SS**Hα-helixtrans-67.4-42.7178.4-169.4169.8-163.800111.5S593 A594 Q599 L600 L601S593-E597 PolarHBondContact O-N 2.89Å; S593-E597 VanDerWaalsContact O-N 3.13Å; A594-E597 PolarHBondContact O-N 3.26Å; E597-Q599 VanDerWaalsContact C-N 3.29Å; E597-Q599 PolarHBondContact O-N 3.04Å; E597-L600 PolarHBondContact O-N 3.31Å; E597-L601 HydrophobicContact CG-CD1 4.28Å; E597-L601 WeakPolarHBondContact O-CB 3.48Å; E597-L601 WeakPolarHBondContact O-CG 3.41Å; E597-L601 PolarHBondContact O-N 3.2Å
598V73.5Confident68.8Low82 Ų8299 Ų9950%0.49755%0.546SS..Hα-helixtrans-62.7-33.5172.6169.50000112.2A594 N602A594-V598 WeakPolarHBondContact O-CB 3.44Å; A594-V598 VanDerWaalsContact O-CG2 3.27Å; A594-V598 WeakPolarHBondContact O-CG2 3.31Å; A594-V598 PolarHBondContact O-N 2.91Å; V598-N602 WeakPolarHBondContact O-CB 3.4Å; V598-N602 PolarHBondContact O-N 3.41Å; V598-N602 VanDerWaalsContact O-N 3.15Å; V598-N602 PolarHBondContact O-ND2 2.93Å
599Q76.6Confident70.5Confident132 Ų13296.4 Ų96.462%0.61753%0.532SS*.Hα-helixtrans-68.6-43.2172.7-75.1178.2800111.8T595 S596 E597 N602 M603T595-Q599 WeakPolarHBondContact O-CG 3.37Å; T595-Q599 PolarHBondContact O-N 3.05Å; T595-Q599 VanDerWaalsContact O-N 3.17Å; S596-Q599 WeakPolarHBondContact O-CB 3.49Å; S596-Q599 PolarHBondContact O-N 2.93Å; E597-Q599 VanDerWaalsContact C-N 3.29Å; E597-Q599 PolarHBondContact O-N 3.04Å; Q599-N602 PolarHBondContact O-N 3.11Å; Q599-M603 PolarHBondContact O-N 3.02Å
600L79.2Confident72.6Confident110 Ų11095.6 Ų95.658%0.57652%0.518SS*.Hα-helixtrans-63.8-47.6179.7-143.7117.4000111.4S596 E597 N602 M603 E604S596-L600 PolarHBondContact O-N 3.32Å; E597-L600 PolarHBondContact O-N 3.31Å; L600-N602 VanDerWaalsContact C-N 3.28Å; L600-N602 PolarHBondContact O-N 2.96Å; L600-M603 WeakPolarHBondContact O-CB 3.49Å; L600-M603 PolarHBondContact O-N 3.49Å; L600-E604 PolarHBondContact O-N 3.3Å
601L78.3Confident74.7Confident54 Ų5495.1 Ų95.128%0.28350%0.501SS..Hα-helixtrans-61.5-33175.2-70170.8000112.6E597 K605E597-L601 HydrophobicContact CG-CD1 4.28Å; E597-L601 WeakPolarHBondContact O-CB 3.48Å; E597-L601 WeakPolarHBondContact O-CG 3.41Å; E597-L601 PolarHBondContact O-N 3.2Å; L601-K605 VanDerWaalsContact O-CB 3.26Å; L601-K605 WeakPolarHBondContact O-CB 3.38Å; L601-K605 PolarHBondContact O-N 2.99Å
602N79.7Confident76.1Confident79 Ų7991.4 Ų91.442%0.42248%0.483SS..Hα-helixtrans-70.7-35.2172.9-86.1-55.5000112.6V598 Q599 L600 Q606V598-N602 WeakPolarHBondContact O-CB 3.4Å; V598-N602 PolarHBondContact O-N 3.41Å; V598-N602 VanDerWaalsContact O-N 3.15Å; V598-N602 PolarHBondContact O-ND2 2.93Å; Q599-N602 PolarHBondContact O-N 3.11Å; L600-N602 VanDerWaalsContact C-N 3.28Å; L600-N602 PolarHBondContact O-N 2.96Å; N602-Q606 WeakPolarHBondContact O-CG 3.48Å; N602-Q606 PolarHBondContact O-N 3Å
603M82.6Confident77.6Confident127 Ų12790.5 Ų90.563%0.62647%0.474SS*.Hα-helixtrans-66.7-44.2172.4-73.3-17166.200111.7Q599 L600 Q606 N607Q599-M603 PolarHBondContact O-N 3.02Å; L600-M603 WeakPolarHBondContact O-CB 3.49Å; L600-M603 PolarHBondContact O-N 3.49Å; M603-Q606 PolarHBondContact O-N 2.89Å; M603-N607 PolarHBondContact O-N 3.15Å; M603-N607 PolarHBondContact O-ND2 3.08Å
604E82.3Confident78.9Confident80 Ų8091 Ų9137%0.37447%0.47SS..Hα-helixtrans-60.1-46.2174.5-70.5-173160.600111.4L600 Q606 N607 L608L600-E604 PolarHBondContact O-N 3.3Å; E604-Q606 VanDerWaalsContact C-N 3.32Å; E604-Q606 PolarHBondContact O-N 3.13Å; E604-N607 PolarHBondContact O-N 3.03Å; E604-N607 VanDerWaalsContact O-N 3.07Å; E604-L608 WeakPolarHBondContact O-CG 3.48Å; E604-L608 PolarHBondContact O-N 2.85Å
605K81.7Confident79.8Confident124 Ų12492.1 Ų92.154%0.53946%0.463SS..Hα-helixtrans-55.7-43.2173.4-179.3-178.2175.1-175.10112.5L601 L609L601-K605 VanDerWaalsContact O-CB 3.26Å; L601-K605 WeakPolarHBondContact O-CB 3.38Å; L601-K605 PolarHBondContact O-N 2.99Å; K605-L609 HydrophobicContact CG-CD1 4.2Å; K605-L609 WeakPolarHBondContact O-CB 3.37Å; K605-L609 VanDerWaalsContact O-CG 3.24Å; K605-L609 WeakPolarHBondContact O-CG 3.47Å; K605-L609 PolarHBondContact O-N 3.08Å
606Q83.5Confident80.6Confident119 Ų11996 Ų9656%0.55647%0.468SS*.Hα-helixtrans-67-35176.1-76.3-169.410.800112.9N602 M603 E604 K610N602-Q606 WeakPolarHBondContact O-CG 3.48Å; N602-Q606 PolarHBondContact O-N 3Å; M603-Q606 PolarHBondContact O-N 2.89Å; E604-Q606 VanDerWaalsContact C-N 3.32Å; E604-Q606 PolarHBondContact O-N 3.13Å; Q606-K610 WeakPolarHBondContact O-CG 3.36Å; Q606-K610 PolarHBondContact O-N 2.8Å
607N85.3Confident81.1Confident83 Ų8397.7 Ų97.744%0.44447%0.468SS..Hα-helixtrans-70.3-44176.6-70.2-21.6000111.5M603 E604 L609 K610 E611M603-N607 PolarHBondContact O-N 3.15Å; M603-N607 PolarHBondContact O-ND2 3.08Å; E604-N607 PolarHBondContact O-N 3.03Å; E604-N607 VanDerWaalsContact O-N 3.07Å; N607-L609 VanDerWaalsContact C-N 3.34Å; N607-L609 PolarHBondContact O-N 3.37Å; N607-K610 WeakPolarHBondContact O-CB 3.42Å; N607-K610 PolarHBondContact O-N 3.09Å; N607-K610 VanDerWaalsContact O-N 3.14Å; N607-E611 PolarHBondContact O-N 3.24Å
608L82.4Confident81.5Confident34 Ų3496.5 Ų96.518%0.17846%0.463CS..Hα-helixtrans-62.2-39.4175.3-67.8162000112.2F577 E604 K610 E611 V612F577-L608 HydrophobicContact CD1-CD1 4.4Å; F577-L608 HydrophobicContact CD2-CD1 3.88Å; F577-L608 HydrophobicContact CE1-CD1 3.95Å; F577-L608 HydrophobicContact CE2-CD1 3.38Å; F577-L608 HydrophobicContact CE2-CD2 4.09Å; F577-L608 HydrophobicContact CE2-CG 4.38Å; F577-L608 HydrophobicContact CG-CD1 4.41Å; F577-L608 HydrophobicContact CZ-CD1 3.44Å; F577-L608 VanDerWaalsContact CZ-CD1 3.44Å; F577-L608 HydrophobicContact CZ-CD2 4.5Å; E604-L608 WeakPolarHBondContact O-CG 3.48Å; E604-L608 PolarHBondContact O-N 2.85Å; L608-K610 VanDerWaalsContact C-N 3.32Å; L608-K610 PolarHBondContact O-N 3.13Å; L608-E611 PolarHBondContact O-N 3.23Å; L608-V612 WeakPolarHBondContact O-CB 3.35Å; L608-V612 WeakPolarHBondContact O-CG2 3.41Å; L608-V612 PolarHBondContact O-N 2.84Å
609L83.1Confident81.5Confident100 Ų10096.3 Ų96.352%0.52446%0.455SS..Hα-helixtrans-60.8-41.4173.9-75.6169.1000111.5K605 N607 V612 E613K605-L609 HydrophobicContact CG-CD1 4.2Å; K605-L609 WeakPolarHBondContact O-CB 3.37Å; K605-L609 VanDerWaalsContact O-CG 3.24Å; K605-L609 WeakPolarHBondContact O-CG 3.47Å; K605-L609 PolarHBondContact O-N 3.08Å; N607-L609 VanDerWaalsContact C-N 3.34Å; N607-L609 PolarHBondContact O-N 3.37Å; L609-V612 PolarHBondContact O-N 3.41Å; L609-E613 WeakPolarHBondContact O-CB 3.4Å; L609-E613 PolarHBondContact O-N 2.8Å
610K88.1Confident81.6Confident117 Ų11793.8 Ų93.851%0.50945%0.452SS..Hα-helixtrans-65.1-41.6174-68.8167.5-173.6168.30112.4Q606 N607 L608 E613 I614Q606-K610 WeakPolarHBondContact O-CG 3.36Å; Q606-K610 PolarHBondContact O-N 2.8Å; N607-K610 WeakPolarHBondContact O-CB 3.42Å; N607-K610 PolarHBondContact O-N 3.09Å; N607-K610 VanDerWaalsContact O-N 3.14Å; L608-K610 VanDerWaalsContact C-N 3.32Å; L608-K610 PolarHBondContact O-N 3.13Å; K610-E613 WeakPolarHBondContact O-CB 3.16Å; K610-E613 PolarHBondContact O-N 3.1Å; K610-I614 WeakPolarHBondContact O-CG1 3.45Å; K610-I614 PolarHBondContact O-N 3.19Å
611E83.9Confident81.8Confident77 Ų7794.2 Ų94.236%0.3645%0.449SS..Hα-helixtrans-60.3-46.4174.6-72.4-17617200111.2N607 L608 E613 I614 Y615N607-E611 PolarHBondContact O-N 3.24Å; L608-E611 PolarHBondContact O-N 3.23Å; E611-E613 VanDerWaalsContact C-N 3.31Å; E611-E613 PolarHBondContact O-N 3.15Å; E611-I614 PolarHBondContact O-N 2.74Å; E611-Y615 HydrophobicContact CB-CE2 4.36Å; E611-Y615 WeakPolarHBondContact O-CD2 3.31Å; E611-Y615 PolarHBondContact O-N 3.01Å
612V79.9Confident81.9Confident49 Ų4994.3 Ų94.330%0.29745%0.452SS..Hα-helixtrans-60.6-38.2175.4169.50000111.9M570 L608 L609 Y615 R616M570-V612 HydrophobicContact CE-CG2 4.31Å; L608-V612 WeakPolarHBondContact O-CB 3.35Å; L608-V612 WeakPolarHBondContact O-CG2 3.41Å; L608-V612 PolarHBondContact O-N 2.84Å; L609-V612 PolarHBondContact O-N 3.41Å; V612-Y615 PolarHBondContact O-N 2.93Å; V612-R616 WeakPolarHBondContact O-CB 3.45Å; V612-R616 VanDerWaalsContact O-CG 3.28Å; V612-R616 WeakPolarHBondContact O-CG 3.29Å; V612-R616 PolarHBondContact O-N 3.41Å
613E84.3Confident81.8Confident124 Ų12499 Ų9958%0.57946%0.464SS*.Hα-helixtrans-64.1-45.3175.8-147.2111.2-108.800111.6L609 K610 E611 R616 E617L609-E613 WeakPolarHBondContact O-CB 3.4Å; L609-E613 PolarHBondContact O-N 2.8Å; K610-E613 WeakPolarHBondContact O-CB 3.16Å; K610-E613 PolarHBondContact O-N 3.1Å; E611-E613 VanDerWaalsContact C-N 3.31Å; E611-E613 PolarHBondContact O-N 3.15Å; E613-R616 WeakPolarHBondContact O-CB 3.41Å; E613-R616 PolarHBondContact O-N 3.49Å; E613-E617 PolarHBondContact O-N 2.96Å
614I84Confident81.7Confident90 Ų9095.2 Ų95.246%0.46245%0.453SS..Hα-helixtrans-61.1-45.3175.3-67.8163.9000110.7K610 E611 E617 Q618K610-I614 WeakPolarHBondContact O-CG1 3.45Å; K610-I614 PolarHBondContact O-N 3.19Å; E611-I614 PolarHBondContact O-N 2.74Å; I614-E617 PolarHBondContact O-N 2.93Å; I614-Q618 WeakPolarHBondContact O-CG 3.4Å; I614-Q618 PolarHBondContact O-N 3.46Å
615Y78.1Confident81.7Confident75 Ų7596.4 Ų96.429%0.29446%0.46SS..Hα-helixtrans-63.7-41.2177-74.1-57.4000111.9E611 V612 E617 Q618 F619E611-Y615 HydrophobicContact CB-CE2 4.36Å; E611-Y615 WeakPolarHBondContact O-CD2 3.31Å; E611-Y615 PolarHBondContact O-N 3.01Å; V612-Y615 PolarHBondContact O-N 2.93Å; Y615-E617 VanDerWaalsContact C-N 3.29Å; Y615-E617 PolarHBondContact O-N 3.35Å; Y615-Q618 PolarHBondContact O-N 2.98Å; Y615-F619 WeakPolarHBondContact O-CD2 3.43Å; Y615-F619 PolarHBondContact O-N 2.79Å
616R81.9Confident81.5Confident165 Ų16594 Ų9462%0.62345%0.452SS*.Hα-helixtrans-58.6-40.5173.5-76.9171.3176.6178.20112V612 E613 F619 S620V612-R616 WeakPolarHBondContact O-CB 3.45Å; V612-R616 VanDerWaalsContact O-CG 3.28Å; V612-R616 WeakPolarHBondContact O-CG 3.29Å; V612-R616 PolarHBondContact O-N 3.41Å; E613-R616 WeakPolarHBondContact O-CB 3.41Å; E613-R616 PolarHBondContact O-N 3.49Å; R616-F619 PolarHBondContact O-N 3.3Å; R616-S620 WeakPolarHBondContact O-CB 3.46Å; R616-S620 PolarHBondContact O-N 3.32Å
617E82.6Confident81.5Confident106 Ų10695.6 Ų95.650%0.49546%0.457SS..Hα-helixtrans-66.2-42.1175.8-156-162.415200111.9E613 I614 Y615 S620 K621E613-E617 PolarHBondContact O-N 2.96Å; I614-E617 PolarHBondContact O-N 2.93Å; Y615-E617 VanDerWaalsContact C-N 3.29Å; Y615-E617 PolarHBondContact O-N 3.35Å; E617-S620 WeakPolarHBondContact O-CB 3.16Å; E617-S620 PolarHBondContact O-N 3.37Å; E617-K621 WeakPolarHBondContact O-CG 3.25Å; E617-K621 PolarHBondContact O-N 3.25Å; E617-K621 WeakPolarHBondContact OE1-CE 3.49Å; E617-K621 IonicContact OE1-NZ 3.93Å; E617-K621 PolarHBondContact OE1-NZ 2.64Å
618Q80.9Confident81.3Confident99 Ų9997.7 Ų97.746%0.46347%0.465SS..Hα-helixtrans-62.5-45.8174.5-70.2179.97.700111.9I614 Y615 S620 K621 T622I614-Q618 WeakPolarHBondContact O-CG 3.4Å; I614-Q618 PolarHBondContact O-N 3.46Å; Y615-Q618 PolarHBondContact O-N 2.98Å; Q618-S620 VanDerWaalsContact C-N 3.3Å; Q618-S620 PolarHBondContact O-N 2.93Å; Q618-K621 PolarHBondContact O-N 2.91Å; Q618-T622 PolarHBondContact O-N 2.75Å; Q618-T622 PolarHBondContact O-OG1 3.41Å; Q618-T622 VanDerWaalsContact O-OG1 3.13Å
619F73.5Confident81Confident78 Ų78100.7 Ų100.734%0.34248%0.481SS..Hα-helixtrans-61.2-37.3174.7-77.5-61.9000112.5L563 Y615 R616 T622 R623L563-F619 HydrophobicContact CD1-CE1 4.27Å; L563-F619 HydrophobicContact CD2-CE1 3.84Å; L563-F619 HydrophobicContact CD2-CZ 4.09Å; Y615-F619 WeakPolarHBondContact O-CD2 3.43Å; Y615-F619 PolarHBondContact O-N 2.79Å; R616-F619 PolarHBondContact O-N 3.3Å; F619-T622 PolarHBondContact O-N 2.73Å; F619-R623 WeakPolarHBondContact O-CB 3.5Å; F619-R623 VanDerWaalsContact O-CG 3.32Å; F619-R623 WeakPolarHBondContact O-CG 3.38Å; F619-R623 PolarHBondContact O-N 3.34Å
620S79.3Confident80.8Confident79 Ų79100.6 Ų100.655%0.55248%0.477SS*.Hα-helixtrans-61.4-47.6174.3-168.70000111.4R616 E617 Q618 T622 R623 A624R616-S620 WeakPolarHBondContact O-CB 3.46Å; R616-S620 PolarHBondContact O-N 3.32Å; E617-S620 WeakPolarHBondContact O-CB 3.16Å; E617-S620 PolarHBondContact O-N 3.37Å; Q618-S620 VanDerWaalsContact C-N 3.3Å; Q618-S620 PolarHBondContact O-N 2.93Å; S620-T622 PolarHBondContact O-N 3.12Å; S620-R623 PolarHBondContact O-N 3.02Å; S620-A624 PolarHBondContact O-N 3.01Å
621K83.2Confident80.6Confident119 Ų11997.8 Ų97.852%0.51748%0.476SS..Hα-helixtrans-61.1-43.2175.8-69.9169.5-175169.30112.2E617 Q618 A624 M625E617-K621 WeakPolarHBondContact O-CG 3.25Å; E617-K621 PolarHBondContact O-N 3.25Å; E617-K621 WeakPolarHBondContact OE1-CE 3.49Å; E617-K621 IonicContact OE1-NZ 3.93Å; E617-K621 PolarHBondContact OE1-NZ 2.64Å; Q618-K621 PolarHBondContact O-N 2.91Å; K621-A624 PolarHBondContact O-N 3.35Å; K621-M625 PolarHBondContact O-N 2.92Å
622T79.1Confident80.3Confident56 Ų5699 Ų9934%0.34449%0.485SS..Hα-helixtrans-66.6-37.7177.4-56.10000112.3Q618 F619 S620 M625 L626Q618-T622 PolarHBondContact O-N 2.75Å; Q618-T622 PolarHBondContact O-OG1 3.41Å; Q618-T622 VanDerWaalsContact O-OG1 3.13Å; F619-T622 PolarHBondContact O-N 2.73Å; S620-T622 PolarHBondContact O-N 3.12Å; T622-M625 PolarHBondContact O-N 2.86Å; T622-L626 HydrophobicContact CG2-CD1 4.48Å; T622-L626 WeakPolarHBondContact O-CG 3.45Å; T622-L626 PolarHBondContact O-N 2.93Å
623R78.2Confident80.3Confident178 Ų178102.4 Ų102.467%0.67249%0.492SS*.Hα-helixtrans-66.7-34.4173.5-73178.9-167.4-1715.2112.8F619 S620 K627F619-R623 WeakPolarHBondContact O-CB 3.5Å; F619-R623 VanDerWaalsContact O-CG 3.32Å; F619-R623 WeakPolarHBondContact O-CG 3.38Å; F619-R623 PolarHBondContact O-N 3.34Å; S620-R623 PolarHBondContact O-N 3.02Å; R623-K627 PolarHBondContact O-N 2.89Å
624A81.2Confident80.1Confident47 Ų4799.4 Ų99.439%0.38848%0.481SS..Hα-helixtrans-64.4-49.3173.300000111S620 K621 L626 K627 E628S620-A624 PolarHBondContact O-N 3.01Å; K621-A624 PolarHBondContact O-N 3.35Å; A624-L626 VanDerWaalsContact C-N 3.31Å; A624-L626 PolarHBondContact O-N 3.47Å; A624-K627 WeakPolarHBondContact O-CB 3.37Å; A624-K627 PolarHBondContact O-N 3.23Å; A624-K627 VanDerWaalsContact O-N 3.07Å; A624-E628 PolarHBondContact O-N 2.9Å
625M80.9Confident80.1Confident105 Ų10597.9 Ų97.952%0.51748%0.481SS..Hα-helixtrans-59.1-39176.8-166.2-163.8-44.400112.8K621 T622 E628 L629K621-M625 PolarHBondContact O-N 2.92Å; T622-M625 PolarHBondContact O-N 2.86Å; M625-E628 PolarHBondContact O-N 3.12Å; M625-L629 WeakPolarHBondContact O-CG 3.34Å; M625-L629 PolarHBondContact O-N 3.49Å
626L77.8Confident80Confident73 Ų73100.3 Ų100.338%0.38250%0.497SS..Hα-helixtrans-63.1-40.6174.5-76.6169.9000112.2T622 A624 E628 L629 E630T622-L626 HydrophobicContact CG2-CD1 4.48Å; T622-L626 WeakPolarHBondContact O-CG 3.45Å; T622-L626 PolarHBondContact O-N 2.93Å; A624-L626 VanDerWaalsContact C-N 3.31Å; A624-L626 PolarHBondContact O-N 3.47Å; L626-E628 VanDerWaalsContact C-N 3.35Å; L626-L629 PolarHBondContact O-N 2.9Å; L626-E630 WeakPolarHBondContact O-CG 3.48Å; L626-E630 PolarHBondContact O-N 2.88Å
627K83.2Confident79.7Confident153 Ų15396.7 Ų96.767%0.66549%0.489SS*.Hα-helixtrans-65.4-36.2175.6-74.5-178.6174.3-173.10112.9R623 A624 E630 A631R623-K627 PolarHBondContact O-N 2.89Å; A624-K627 WeakPolarHBondContact O-CB 3.37Å; A624-K627 PolarHBondContact O-N 3.23Å; A624-K627 VanDerWaalsContact O-N 3.07Å; K627-E630 PolarHBondContact O-N 3.37Å; K627-A631 PolarHBondContact O-N 3.31Å
628E80.9Confident79.7Confident128 Ų12898.3 Ų98.360%0.59850%0.495SS*.Hα-helixtrans-63.6-47.1173.4-69.4174.6165.900110.7A624 M625 L626 E630 A631 D632A624-E628 PolarHBondContact O-N 2.9Å; M625-E628 PolarHBondContact O-N 3.12Å; L626-E628 VanDerWaalsContact C-N 3.35Å; E628-E630 VanDerWaalsContact C-N 3.31Å; E628-E630 PolarHBondContact O-N 2.93Å; E628-A631 WeakPolarHBondContact O-CB 3.49Å; E628-A631 PolarHBondContact O-N 3.08Å; E628-A631 VanDerWaalsContact O-N 3.14Å; E628-D632 PolarHBondContact O-N 3.48Å
629L76.9Confident79.7Confident97 Ų9798.1 Ų98.151%0.50849%0.494SS..Hα-helixtrans-63.9-32.3176.2-69171.6000113.5M625 L626 R633M625-L629 WeakPolarHBondContact O-CG 3.34Å; M625-L629 PolarHBondContact O-N 3.49Å; L626-L629 PolarHBondContact O-N 2.9Å; L629-R633 WeakPolarHBondContact O-CB 3.38Å; L629-R633 PolarHBondContact O-N 3.36Å
630E78.4Confident79.9Confident98 Ų9898.4 Ų98.446%0.45850%0.499SS..Hα-helixtrans-69.2-40172.1-73.4-176.8141.600112.2L626 K627 E628 R633 D634L626-E630 WeakPolarHBondContact O-CG 3.48Å; L626-E630 PolarHBondContact O-N 2.88Å; K627-E630 PolarHBondContact O-N 3.37Å; E628-E630 VanDerWaalsContact C-N 3.31Å; E628-E630 PolarHBondContact O-N 2.93Å; E630-R633 WeakPolarHBondContact O-CB 3.5Å; E630-R633 PolarHBondContact O-N 3.14Å; E630-R633 IonicContact OE1-NH1 3.94Å; E630-D634 VanDerWaalsContact O-CG 3.31Å; E630-D634 PolarHBondContact O-N 2.9Å
631A83.3Confident79.7Confident58 Ų5899.7 Ų99.748%0.47950%0.496SS..Hα-helixtrans-65.2-42.5174.600000112K627 E628 D634 A635K627-A631 PolarHBondContact O-N 3.31Å; E628-A631 WeakPolarHBondContact O-CB 3.49Å; E628-A631 PolarHBondContact O-N 3.08Å; E628-A631 VanDerWaalsContact O-N 3.14Å; A631-D634 PolarHBondContact O-N 3.44Å; A631-A635 WeakPolarHBondContact O-CB 3.38Å; A631-A635 PolarHBondContact O-N 3.45Å
632D79.2Confident79.5Confident103 Ų10395.8 Ų95.855%0.55148%0.484SS*.Hα-helixtrans-63.2-41.9175.1-79.1-12.7000112E628 D634 A635 M636E628-D632 PolarHBondContact O-N 3.48Å; D632-D634 VanDerWaalsContact C-N 3.33Å; D632-D634 PolarHBondContact O-N 2.95Å; D632-A635 PolarHBondContact O-N 3.44Å; D632-M636 WeakPolarHBondContact O-CB 3.43Å; D632-M636 WeakPolarHBondContact O-CG 3.27Å; D632-M636 PolarHBondContact O-N 3.34Å
633R79.6Confident79.4Confident119 Ų11998.2 Ų98.245%0.44949%0.49SS..Hα-helixtrans-56.5-47.5172.4178.4-158.470.6-150.5-4.8110.9L629 E630 M636 L637L629-R633 WeakPolarHBondContact O-CB 3.38Å; L629-R633 PolarHBondContact O-N 3.36Å; E630-R633 WeakPolarHBondContact O-CB 3.5Å; E630-R633 PolarHBondContact O-N 3.14Å; E630-R633 IonicContact OE1-NH1 3.94Å; R633-M636 PolarHBondContact O-N 3.45Å; R633-L637 HydrophobicContact CG-CD1 4.15Å; R633-L637 WeakPolarHBondContact O-CG 3.32Å; R633-L637 PolarHBondContact O-N 3.44Å
634D79.5Confident79.4Confident62 Ų6294.8 Ų94.833%0.33248%0.481SS..Hα-helixtrans-73.3-30.8-175.9-68.6-8.6000112.4E630 A631 D632 K638E630-D634 VanDerWaalsContact O-CG 3.31Å; E630-D634 PolarHBondContact O-N 2.9Å; A631-D634 PolarHBondContact O-N 3.44Å; D632-D634 VanDerWaalsContact C-N 3.33Å; D632-D634 PolarHBondContact O-N 2.95Å; D634-K638 WeakPolarHBondContact O-CG 3.45Å; D634-K638 PolarHBondContact O-N 2.99Å; D634-K638 VanDerWaalsContact O-N 3.13Å
635A83.2Confident79.2Confident57 Ų5799.4 Ų99.447%0.47149%0.489SS..Hα-helixtrans-64.3-46.8168.500000111.6A631 D632 L637 K638 Q639A631-A635 WeakPolarHBondContact O-CB 3.38Å; A631-A635 PolarHBondContact O-N 3.45Å; D632-A635 PolarHBondContact O-N 3.44Å; A635-L637 PolarHBondContact O-N 3.32Å; A635-K638 PolarHBondContact O-N 2.92Å; A635-Q639 WeakPolarHBondContact O-CB 3.41Å; A635-Q639 PolarHBondContact O-N 3.4Å
636M76Confident79Confident127 Ų12798.2 Ų98.263%0.62648%0.484SS*.Hα-helixtrans-62.3-38176.5-79.4-70.9-156.200112.9D632 R633 Q639 N640D632-M636 WeakPolarHBondContact O-CB 3.43Å; D632-M636 WeakPolarHBondContact O-CG 3.27Å; D632-M636 PolarHBondContact O-N 3.34Å; R633-M636 PolarHBondContact O-N 3.45Å; M636-Q639 PolarHBondContact O-N 2.91Å; M636-N640 WeakPolarHBondContact O-CB 3.31Å; M636-N640 PolarHBondContact O-N 2.93Å
637L76.3Confident78.9Confident89 Ų8997.8 Ų97.847%0.46649%0.485SS..Hα-helixtrans-63.9-48.1174.7-74170000111.4R633 A635 Q639 N640 E641R633-L637 HydrophobicContact CG-CD1 4.15Å; R633-L637 WeakPolarHBondContact O-CG 3.32Å; R633-L637 PolarHBondContact O-N 3.44Å; A635-L637 PolarHBondContact O-N 3.32Å; L637-Q639 VanDerWaalsContact C-N 3.29Å; L637-Q639 PolarHBondContact O-N 3.32Å; L637-N640 WeakPolarHBondContact O-CB 3.48Å; L637-N640 PolarHBondContact O-N 3.17Å; L637-E641 WeakPolarHBondContact O-CG 3.39Å; L637-E641 PolarHBondContact O-N 3.33Å
638K82.8Confident78.4Confident139 Ų13993.1 Ų93.160%0.60448%0.475SS*.Hα-helixtrans-60-37.1175.6-73169.6-178.2171.20112.9D634 A635 S642D634-K638 WeakPolarHBondContact O-CG 3.45Å; D634-K638 PolarHBondContact O-N 2.99Å; D634-K638 VanDerWaalsContact O-N 3.13Å; A635-K638 PolarHBondContact O-N 2.92Å; K638-S642 PolarHBondContact O-N 2.96Å; K638-S642 VanDerWaalsContact O-N 3.1Å
639Q81.5Confident78.1Confident95 Ų9591.8 Ų91.844%0.44447%0.472SS..Hα-helixtrans-70-39.5175.9-167.7-177.68.400112A635 M636 L637 E641 S642 F643A635-Q639 WeakPolarHBondContact O-CB 3.41Å; A635-Q639 PolarHBondContact O-N 3.4Å; M636-Q639 PolarHBondContact O-N 2.91Å; L637-Q639 VanDerWaalsContact C-N 3.29Å; L637-Q639 PolarHBondContact O-N 3.32Å; Q639-E641 VanDerWaalsContact C-N 3.33Å; Q639-E641 PolarHBondContact O-N 2.9Å; Q639-S642 PolarHBondContact O-N 3.13Å; Q639-S642 PolarHBondContact O-OG 2.89Å; Q639-F643 HydrophobicContact CG-CD2 4.18Å; Q639-F643 HydrophobicContact CG-CE2 3.64Å; Q639-F643 HydrophobicContact CG-CZ 3.96Å; Q639-F643 WeakPolarHBondContact O-CD2 3.48Å; Q639-F643 WeakPolarHBondContact O-CG 3.33Å; Q639-F643 PolarHBondContact O-N 2.95Å
640N76.6Confident78Confident84 Ų8492.7 Ų92.745%0.44948%0.477SS..Hα-helixtrans-63.1-40.7174.2-170.1-3.6000111.2M636 L637 S642 F643 Q644M636-N640 WeakPolarHBondContact O-CB 3.31Å; M636-N640 PolarHBondContact O-N 2.93Å; L637-N640 WeakPolarHBondContact O-CB 3.48Å; L637-N640 PolarHBondContact O-N 3.17Å; N640-S642 VanDerWaalsContact C-N 3.33Å; N640-S642 PolarHBondContact O-N 3.35Å; N640-F643 PolarHBondContact O-N 3.1Å; N640-Q644 VanDerWaalsContact O-CG 3.31Å; N640-Q644 WeakPolarHBondContact O-CG 3.37Å; N640-Q644 PolarHBondContact O-N 3.45Å; N640-Q644 PolarHBondContact OD1-NE2 2.97Å
641E75.2Confident77.6Confident106 Ų10694.3 Ų94.350%0.49548%0.478SS..Hα-helixtrans-63.5-32.8172.7-71.9175.1-174.200113.7L637 Q639 R645L637-E641 WeakPolarHBondContact O-CG 3.39Å; L637-E641 PolarHBondContact O-N 3.33Å; Q639-E641 VanDerWaalsContact C-N 3.33Å; Q639-E641 PolarHBondContact O-N 2.9Å; E641-R645 PolarHBondContact O-N 2.84Å; E641-R645 PolarHBondContact O-NE 2.87Å
642S80.2Confident77.2Confident37 Ų3797.9 Ų97.926%0.25949%0.485SS..Hα-helixtrans-70.4-45.8173.880.20000110.8K638 Q639 N640 Q644 R645 D646K638-S642 PolarHBondContact O-N 2.96Å; K638-S642 VanDerWaalsContact O-N 3.1Å; Q639-S642 PolarHBondContact O-N 3.13Å; Q639-S642 PolarHBondContact O-OG 2.89Å; N640-S642 VanDerWaalsContact C-N 3.33Å; N640-S642 PolarHBondContact O-N 3.35Å; S642-Q644 VanDerWaalsContact C-N 3.28Å; S642-Q644 PolarHBondContact O-N 3Å; S642-R645 WeakPolarHBondContact O-CA 3.49Å; S642-R645 WeakPolarHBondContact O-CB 3.37Å; S642-R645 PolarHBondContact O-N 3.02Å; S642-D646 VanDerWaalsContact O-CG 3.31Å; S642-D646 PolarHBondContact O-N 2.76Å
643F77.2Confident77Confident108 Ų10896 Ų9647%0.47448%0.48SS..Hα-helixtrans-61.8-33.9175.9-66.2-38.1000113Q639 N640 R645 D646 V647Q639-F643 HydrophobicContact CG-CD2 4.18Å; Q639-F643 HydrophobicContact CG-CE2 3.64Å; Q639-F643 HydrophobicContact CG-CZ 3.96Å; Q639-F643 WeakPolarHBondContact O-CD2 3.48Å; Q639-F643 WeakPolarHBondContact O-CG 3.33Å; Q639-F643 PolarHBondContact O-N 2.95Å; N640-F643 PolarHBondContact O-N 3.1Å; F643-R645 VanDerWaalsContact C-N 3.34Å; F643-D646 PolarHBondContact O-N 3.3Å; F643-V647 WeakPolarHBondContact O-CB 3.4Å; F643-V647 VanDerWaalsContact O-CG2 3.26Å; F643-V647 WeakPolarHBondContact O-CG2 3.47Å; F643-V647 PolarHBondContact O-N 3.18Å
644Q76.5Confident76.6Confident106 Ų10693.9 Ų93.950%0.49548%0.48SS..Hα-helixtrans-65.3-37.1173.3-74.5174.839.800112.3N640 S642 A648N640-Q644 VanDerWaalsContact O-CG 3.31Å; N640-Q644 WeakPolarHBondContact O-CG 3.37Å; N640-Q644 PolarHBondContact O-N 3.45Å; N640-Q644 PolarHBondContact OD1-NE2 2.97Å; S642-Q644 VanDerWaalsContact C-N 3.28Å; S642-Q644 PolarHBondContact O-N 3Å; Q644-A648 PolarHBondContact O-N 3.38Å; Q644-A648 VanDerWaalsContact O-N 3.11Å
645R78.2Confident76Confident143 Ų14393.8 Ų93.854%0.5448%0.479SS..Hα-helixtrans-66.8-46.8172-75.8172.7-91.4150-16111.5E641 S642 F643 V647 A648 D649E641-R645 PolarHBondContact O-N 2.84Å; E641-R645 PolarHBondContact O-NE 2.87Å; S642-R645 WeakPolarHBondContact O-CA 3.49Å; S642-R645 WeakPolarHBondContact O-CB 3.37Å; S642-R645 PolarHBondContact O-N 3.02Å; F643-R645 VanDerWaalsContact C-N 3.34Å; R645-V647 VanDerWaalsContact C-N 3.29Å; R645-V647 PolarHBondContact O-N 3.33Å; R645-A648 WeakPolarHBondContact O-CA 3.4Å; R645-A648 WeakPolarHBondContact O-CB 3.22Å; R645-A648 PolarHBondContact O-N 3.43Å; R645-D649 PolarHBondContact O-N 2.85Å
646D76.3Confident75.5Confident80 Ų8094 Ų9443%0.42848%0.478SS..Hα-helixtrans-58.8-40.2177.1-61.2-27.5000111.9S642 F643 D649 L650S642-D646 VanDerWaalsContact O-CG 3.31Å; S642-D646 PolarHBondContact O-N 2.76Å; F643-D646 PolarHBondContact O-N 3.3Å; D646-D649 PolarHBondContact O-N 3.2Å; D646-L650 WeakPolarHBondContact O-CB 3.37Å; D646-L650 VanDerWaalsContact O-CG 3.28Å; D646-L650 WeakPolarHBondContact O-CG 3.14Å; D646-L650 PolarHBondContact O-N 2.9Å
647V75.4Confident75Confident65 Ų6593.1 Ų93.139%0.39448%0.475SS..Hα-helixtrans-67.1-34175.3167.90000112F643 R645 R651F643-V647 WeakPolarHBondContact O-CB 3.4Å; F643-V647 VanDerWaalsContact O-CG2 3.26Å; F643-V647 WeakPolarHBondContact O-CG2 3.47Å; F643-V647 PolarHBondContact O-N 3.18Å; R645-V647 VanDerWaalsContact C-N 3.29Å; R645-V647 PolarHBondContact O-N 3.33Å; V647-R651 WeakPolarHBondContact O-CB 3.49Å; V647-R651 WeakPolarHBondContact O-CD 3.44Å; V647-R651 WeakPolarHBondContact O-CG 3.49Å; V647-R651 PolarHBondContact O-N 2.88Å; V647-R651 VanDerWaalsContact O-N 3.1Å
648A72.8Confident74.5Confident54 Ų5491.2 Ų91.245%0.44646%0.464SS..Hα-helixtrans-68.5-46.6174.100000111.4Q644 R645 L650 R651 Q652Q644-A648 PolarHBondContact O-N 3.38Å; Q644-A648 VanDerWaalsContact O-N 3.11Å; R645-A648 WeakPolarHBondContact O-CA 3.4Å; R645-A648 WeakPolarHBondContact O-CB 3.22Å; R645-A648 PolarHBondContact O-N 3.43Å; A648-L650 PolarHBondContact O-N 3.29Å; A648-R651 PolarHBondContact O-N 3.08Å; A648-Q652 PolarHBondContact O-N 2.7Å
649D73.9Confident73.7Confident101 Ų10187.7 Ų87.754%0.5446%0.456SS..Hα-helixtrans-64.2-40.7178.7-75.4-9.3000112R645 D646 Q652 S653R645-D649 PolarHBondContact O-N 2.85Å; D646-D649 PolarHBondContact O-N 3.2Å; D649-Q652 PolarHBondContact O-N 3.25Å; D649-S653 WeakPolarHBondContact O-CB 3.29Å; D649-S653 PolarHBondContact O-N 3.02Å; D649-S653 PolarHBondContact O-OG 3.34Å
650L75.8Confident73.1Confident116 Ų11687.3 Ų87.361%0.60746%0.457SS*.Hα-helixtrans-62-41.9172.4-77.2169.8000112.3D646 A648 S653 V654D646-L650 WeakPolarHBondContact O-CB 3.37Å; D646-L650 VanDerWaalsContact O-CG 3.28Å; D646-L650 WeakPolarHBondContact O-CG 3.14Å; D646-L650 PolarHBondContact O-N 2.9Å; A648-L650 PolarHBondContact O-N 3.29Å; L650-S653 WeakPolarHBondContact O-CB 3.21Å; L650-S653 PolarHBondContact O-N 3.03Å; L650-V654 WeakPolarHBondContact O-CG2 3.46Å; L650-V654 PolarHBondContact O-N 2.85Å
651R70.2Confident72.6Confident132 Ų13287.9 Ų87.950%0.49846%0.46SS..Hα-helixtrans-64.5-43175.8-76.6170.3-178.7-174.84111.6V647 A648 S653 V654 L655V647-R651 WeakPolarHBondContact O-CB 3.49Å; V647-R651 WeakPolarHBondContact O-CD 3.44Å; V647-R651 WeakPolarHBondContact O-CG 3.49Å; V647-R651 PolarHBondContact O-N 2.88Å; V647-R651 VanDerWaalsContact O-N 3.1Å; A648-R651 PolarHBondContact O-N 3.08Å; R651-S653 VanDerWaalsContact C-N 3.3Å; R651-S653 PolarHBondContact O-N 3.05Å; R651-V654 PolarHBondContact O-N 2.92Å; R651-L655 VanDerWaalsContact O-CG 3.31Å; R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 2.74Å
652Q74.4Confident71.8Confident133 Ų13384 Ų8462%0.62144%0.443SS*.Hα-helixtrans-62.1-39.4175.8-169.565.8300111.8A648 D649 L655 S656A648-Q652 PolarHBondContact O-N 2.7Å; D649-Q652 PolarHBondContact O-N 3.25Å; Q652-L655 PolarHBondContact O-N 2.9Å; Q652-S656 PolarHBondContact O-N 3.37Å
653S74.8Confident71.1Confident64 Ų6484 Ų8445%0.44845%0.446SS..Hα-helixtrans-63.8-43.5174.8-570000112.2D649 L650 R651 S656 L657D649-S653 WeakPolarHBondContact O-CB 3.29Å; D649-S653 PolarHBondContact O-N 3.02Å; D649-S653 PolarHBondContact O-OG 3.34Å; L650-S653 WeakPolarHBondContact O-CB 3.21Å; L650-S653 PolarHBondContact O-N 3.03Å; R651-S653 VanDerWaalsContact C-N 3.3Å; R651-S653 PolarHBondContact O-N 3.05Å; S653-S656 WeakPolarHBondContact O-CB 3.25Å; S653-S656 PolarHBondContact O-N 2.82Å; S653-L657 WeakPolarHBondContact O-CG 3.43Å; S653-L657 PolarHBondContact O-N 2.96Å
654V71.2Confident70.2Confident73 Ų7383.5 Ų83.544%0.44245%0.447SS..Hα-helixtrans-60.8-46.2174.2168.40000110.8L650 R651 S656 L657 E658L650-V654 WeakPolarHBondContact O-CG2 3.46Å; L650-V654 PolarHBondContact O-N 2.85Å; R651-V654 PolarHBondContact O-N 2.92Å; V654-S656 VanDerWaalsContact C-N 3.29Å; V654-S656 PolarHBondContact O-N 3.01Å; V654-L657 PolarHBondContact O-N 3.33Å; V654-E658 HydrophobicContact CG1-CG 4.14Å; V654-E658 WeakPolarHBondContact O-CB 3.31Å; V654-E658 WeakPolarHBondContact O-CG 3.5Å; V654-E658 PolarHBondContact O-N 3.24Å
655L67.1Low69.1Low60 Ų6082.5 Ų82.531%0.31445%0.445SS..Hα-helixtrans-62.4-35.8178.1-67.6169000112.5R651 Q652 S659 N692R651-L655 VanDerWaalsContact O-CG 3.31Å; R651-L655 WeakPolarHBondContact O-CG 3.41Å; R651-L655 PolarHBondContact O-N 2.74Å; Q652-L655 PolarHBondContact O-N 2.9Å; L655-S659 WeakPolarHBondContact O-CB 3.27Å; L655-S659 PolarHBondContact O-N 2.99Å; L655-N692 VanDerWaalsContact CD1-ND2 3.31Å; L655-N692 WeakPolarHBondContact CD1-ND2 3.48Å; L655-N692 VanDerWaalsContact CD2-ND2 3.31Å; L655-N692 WeakPolarHBondContact CD2-ND2 3.47Å
656S72Confident68Low63 Ų6380.7 Ų80.744%0.44144%0.443SS..Hα-helixtrans-62.9-54.3172.5-166.70000111.2Q652 S653 V654 E658 S659 D660Q652-S656 PolarHBondContact O-N 3.37Å; S653-S656 WeakPolarHBondContact O-CB 3.25Å; S653-S656 PolarHBondContact O-N 2.82Å; V654-S656 VanDerWaalsContact C-N 3.29Å; V654-S656 PolarHBondContact O-N 3.01Å; S656-E658 VanDerWaalsContact C-N 3.27Å; S656-E658 PolarHBondContact O-N 3.01Å; S656-S659 WeakPolarHBondContact O-CA 3.46Å; S656-S659 WeakPolarHBondContact O-CB 3.43Å; S656-S659 PolarHBondContact O-N 3.26Å; S656-S659 PolarHBondContact O-OG 2.94Å; S656-D660 PolarHBondContact O-N 3.45Å
657L66.7Low67.1Low108 Ų10884.1 Ų84.157%0.56545%0.449SS*.Hα-helixtrans-59-37.5179.7-72170.2000112.5S653 V654 D660 N661S653-L657 WeakPolarHBondContact O-CG 3.43Å; S653-L657 PolarHBondContact O-N 2.96Å; V654-L657 PolarHBondContact O-N 3.33Å; L657-D660 PolarHBondContact O-N 3.13Å; L657-N661 WeakPolarHBondContact O-CB 3.47Å; L657-N661 PolarHBondContact O-N 3.48Å; L657-N661 PolarHBondContact O-ND2 2.94Å
658E65Low65.8Low49 Ų4986.5 Ų86.523%0.22946%0.459CS..Hα-helixtrans-70.2-33.6176-70177.6142.800112V654 S656 L662 R688V654-E658 HydrophobicContact CG1-CG 4.14Å; V654-E658 WeakPolarHBondContact O-CB 3.31Å; V654-E658 WeakPolarHBondContact O-CG 3.5Å; V654-E658 PolarHBondContact O-N 3.24Å; S656-E658 VanDerWaalsContact C-N 3.27Å; S656-E658 PolarHBondContact O-N 3.01Å; E658-L662 WeakPolarHBondContact O-CB 3.37Å; E658-L662 PolarHBondContact O-N 3.32Å; E658-R688 IonicContact OE1-CZ 2.71Å; E658-R688 IonicContact OE1-NH1 3.62Å; E658-R688 PolarHBondContact OE1-NH1 3.27Å; E658-R688 IonicContact OE1-NH2 2.76Å; E658-R688 PolarHBondContact OE1-NH2 3.46Å; E658-R688 IonicContact OE2-CZ 3.99Å; E658-R688 IonicContact OE2-NH1 3.66Å; E658-R688 PolarHBondContact OE2-NH1 2.99Å; E658-R688 IonicContact OE2-NH2 3.35Å
659S66Low64.6Low65 Ų6585.3 Ų85.346%0.45545%0.446SS..Hα-helixtrans-69.4-38172.780.90000112.4L655 S656 L662 A663L655-S659 WeakPolarHBondContact O-CB 3.27Å; L655-S659 PolarHBondContact O-N 2.99Å; S656-S659 WeakPolarHBondContact O-CA 3.46Å; S656-S659 WeakPolarHBondContact O-CB 3.43Å; S656-S659 PolarHBondContact O-N 3.26Å; S656-S659 PolarHBondContact O-OG 2.94Å; S659-L662 PolarHBondContact O-N 3.12Å; S659-A663 PolarHBondContact O-N 3.22Å
660D69.5Low63.1Low87 Ų8787.8 Ų87.847%0.46546%0.459SS..Hα-helixtrans-67-44.4175.2-68.9-37.6000111.2S656 L657 L662 A663 L664S656-D660 PolarHBondContact O-N 3.45Å; L657-D660 PolarHBondContact O-N 3.13Å; D660-L662 VanDerWaalsContact C-N 3.29Å; D660-L662 PolarHBondContact O-N 3.28Å; D660-A663 PolarHBondContact O-N 3.15Å; D660-L664 WeakPolarHBondContact O-CB 3.43Å; D660-L664 PolarHBondContact O-N 2.86Å
661N66.4Low61.8Low95 Ų9591.1 Ų91.151%0.50847%0.469SS..Hα-helixtrans-60.4-37.6172.5-81-26.4000112L657 L664 L665L657-N661 WeakPolarHBondContact O-CB 3.47Å; L657-N661 PolarHBondContact O-N 3.48Å; L657-N661 PolarHBondContact O-ND2 2.94Å; N661-L664 PolarHBondContact O-N 2.92Å; N661-L665 WeakPolarHBondContact O-CB 3.28Å; N661-L665 VanDerWaalsContact O-CG 3.32Å; N661-L665 WeakPolarHBondContact O-CG 3.35Å; N661-L665 PolarHBondContact O-N 2.95Å
662L57.5Low60.4Low24 Ų2492 Ų9213%0.12648%0.478CS..Hα-helixtrans-68.8-38.1174.9-121.7160.8000112.2E658 S659 D660 L665 Q666 W684E658-L662 WeakPolarHBondContact O-CB 3.37Å; E658-L662 PolarHBondContact O-N 3.32Å; S659-L662 PolarHBondContact O-N 3.12Å; D660-L662 VanDerWaalsContact C-N 3.29Å; D660-L662 PolarHBondContact O-N 3.28Å; L662-L665 PolarHBondContact O-N 3.33Å; L662-Q666 HydrophobicContact CD2-CG 4.37Å; L662-Q666 WeakPolarHBondContact O-CB 3.5Å; L662-Q666 VanDerWaalsContact O-CG 3.3Å; L662-Q666 WeakPolarHBondContact O-CG 3.34Å; L662-Q666 PolarHBondContact O-N 2.94Å; L662-W684 HydrophobicContact CD1-CE3 4.13Å; L662-W684 HydrophobicContact CD1-CZ3 3.67Å
663A65.1Low58.6Low39 Ų3992 Ų9232%0.32249%0.488SS..Hα-helixtrans-66.7-38.6174.400000111.6S659 D660 R667S659-A663 PolarHBondContact O-N 3.22Å; D660-A663 PolarHBondContact O-N 3.15Å; A663-R667 WeakPolarHBondContact O-CB 3.22Å; A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.4Å; A663-R667 PolarHBondContact O-N 3.26Å
664L59.5Low56.9Low96 Ų9697.4 Ų97.450%0.50351%0.506SS..Hα-helixtrans-61.7-49.1170.6-85.2161.4000111.7D660 N661 Q666 R667 L668D660-L664 WeakPolarHBondContact O-CB 3.43Å; D660-L664 PolarHBondContact O-N 2.86Å; N661-L664 PolarHBondContact O-N 2.92Å; L664-Q666 PolarHBondContact O-N 3.48Å; L664-R667 PolarHBondContact O-N 3.2Å; L664-L668 WeakPolarHBondContact O-CG 3.35Å; L664-L668 PolarHBondContact O-N 3.36Å
665L52.3Low55.7Low86 Ų8699.7 Ų99.745%0.4553%0.525SS..Hα-helixtrans-58.7-47.2175.5-75.5168000111.3N661 L662 R667 L668 T669N661-L665 WeakPolarHBondContact O-CB 3.28Å; N661-L665 VanDerWaalsContact O-CG 3.32Å; N661-L665 WeakPolarHBondContact O-CG 3.35Å; N661-L665 PolarHBondContact O-N 2.95Å; L662-L665 PolarHBondContact O-N 3.33Å; L665-R667 VanDerWaalsContact C-N 3.32Å; L665-R667 PolarHBondContact O-N 3.48Å; L665-L668 CarbonylContact O-C 3.57Å; L665-L668 WeakPolarHBondContact O-CA 3.26Å; L665-L668 WeakPolarHBondContact O-CB 3.5Å; L665-L668 PolarHBondContact O-N 3Å; L665-T669 PolarHBondContact O-N 3.48Å; L665-T669 PolarHBondContact O-OG1 2.91Å
666Q55.9Low54.7Low105 Ų105100.6 Ų100.649%0.49154%0.537SS..Hα-helixtrans-59.2-39.2175.9-75.7179.3-18.900112.9L662 L664 L668 L670L662-Q666 HydrophobicContact CD2-CG 4.37Å; L662-Q666 WeakPolarHBondContact O-CB 3.5Å; L662-Q666 VanDerWaalsContact O-CG 3.3Å; L662-Q666 WeakPolarHBondContact O-CG 3.34Å; L662-Q666 PolarHBondContact O-N 2.94Å; L664-Q666 PolarHBondContact O-N 3.48Å; Q666-L668 VanDerWaalsContact C-N 3.28Å; Q666-L668 PolarHBondContact O-N 3.27Å; Q666-L670 WeakPolarHBondContact O-CB 3.47Å; Q666-L670 WeakPolarHBondContact O-CD1 3.4Å; Q666-L670 VanDerWaalsContact O-CG 3.25Å; Q666-L670 WeakPolarHBondContact O-CG 3.11Å; Q666-L670 PolarHBondContact O-N 2.97Å; Q666-L670 VanDerWaalsContact O-N 3.08Å
667R57.7Low53.7Low151 Ų151103.7 Ų103.757%0.5754%0.544SS*.Hα-helixtrans-65.8-29173.6-73.6174.3-175.3-170.53.8112.8H102 A663 L664 L665H102-R667 PolarHBondContact NE2-NH1 3.08Å; A663-R667 WeakPolarHBondContact O-CB 3.22Å; A663-R667 VanDerWaalsContact O-CG 3.28Å; A663-R667 WeakPolarHBondContact O-CG 3.4Å; A663-R667 PolarHBondContact O-N 3.26Å; L664-R667 PolarHBondContact O-N 3.2Å; L665-R667 VanDerWaalsContact C-N 3.32Å; L665-R667 PolarHBondContact O-N 3.48Å
668L47Very low53.2Low115 Ų115103.1 Ų103.160%0.60255%0.545SS*.Hα-helixtrans-78.8-50.6175.4-68.1166.6000111.3L664 L665 Q666 L670 K671L664-L668 WeakPolarHBondContact O-CG 3.35Å; L664-L668 PolarHBondContact O-N 3.36Å; L665-L668 CarbonylContact O-C 3.57Å; L665-L668 WeakPolarHBondContact O-CA 3.26Å; L665-L668 WeakPolarHBondContact O-CB 3.5Å; L665-L668 PolarHBondContact O-N 3Å; Q666-L668 VanDerWaalsContact C-N 3.28Å; Q666-L668 PolarHBondContact O-N 3.27Å; L668-L670 VanDerWaalsContact C-N 3.29Å; L668-L670 PolarHBondContact O-N 3.13Å; L668-K671 PolarHBondContact O-N 3.44Å
669T47.9Very low52.7Low29 Ų29103.5 Ų103.518%0.17855%0.553CS.*Hα-helixtrans-65.2-28.8-178.5-34.30000112.8L665 K671 E672L665-T669 PolarHBondContact O-N 3.48Å; L665-T669 PolarHBondContact O-OG1 2.91Å; T669-K671 PolarHBondContact O-N 3.34Å; T669-E672 CarbonylContact O-C 3.54Å; T669-E672 PolarHBondContact O-N 3.34Å
670L43.4Very low52.3Low154 Ų154107 Ų10781%0.80656%0.56SS**THydrogen-bonded Turntrans-62.8-9.4173.2-81.3169.9000114.5Q666 L668Q666-L670 WeakPolarHBondContact O-CB 3.47Å; Q666-L670 WeakPolarHBondContact O-CD1 3.4Å; Q666-L670 VanDerWaalsContact O-CG 3.25Å; Q666-L670 WeakPolarHBondContact O-CG 3.11Å; Q666-L670 PolarHBondContact O-N 2.97Å; Q666-L670 VanDerWaalsContact O-N 3.08Å; L668-L670 VanDerWaalsContact C-N 3.29Å; L668-L670 PolarHBondContact O-N 3.13Å
671K49.1Very low51.7Low186 Ų186104.8 Ų104.881%0.80955%0.548SS*.THydrogen-bonded Turntrans-96.5-12.7170.6-71.8-173.6174.1-178.50114.1L668 T669L668-K671 PolarHBondContact O-N 3.44Å; T669-K671 PolarHBondContact O-N 3.34Å
672E39.9Very low51.5Low149 Ų149105.2 Ų105.270%0.69655%0.546SS*.SBendtrans-134.377.9-171-68.3-172163.400112.4T669T669-E672 CarbonylContact O-C 3.54Å; T669-E672 PolarHBondContact O-N 3.34Å
673T37.6Very low51.7Low135 Ų135108.3 Ų108.383%0.82856%0.558SS**  trans66.6163.8154.856.50000119.4
674E39.1Very low51.8Low177 Ų177111.2 Ų111.283%0.82756%0.561SS**  trans-99.7165.1-159.9-58.7173.7139.600114
675S45Very low52Low120 Ų120111.4 Ų111.484%0.83956%0.557SS**SBendtrans96.4-12.7145.381.60000123.1
676S46.9Very low52.5Low80 Ų80109.1 Ų109.156%0.55954%0.543SS*.SBendtrans-137.4-48.3175.667.50000116.1V678 S679 F680S676-V678 VanDerWaalsContact C-N 3.33Å; S676-V678 PolarHBondContact O-N 3.03Å; S676-S679 WeakPolarHBondContact O-CB 3.46Å; S676-S679 PolarHBondContact O-N 3.43Å; S676-F680 PolarHBondContact O-N 3.07Å
677E51.2Low53.1Low128 Ų128110.1 Ų110.160%0.59855%0.546SS*.Hα-helixtrans-64.1-35.4-173.7-59.1-170.6163.700113.1S679 F680 L681E677-S679 VanDerWaalsContact C-N 3.27Å; E677-S679 PolarHBondContact O-N 2.92Å; E677-F680 PolarHBondContact O-N 3.04Å; E677-L681 WeakPolarHBondContact O-CG 3.4Å; E677-L681 PolarHBondContact O-N 3.04Å
678V54.6Low53.6Low95 Ų95106.7 Ų106.758%0.57653%0.533SS*.Hα-helixtrans-59.6-37.2174.7-177.90000111.7S676 F682S676-V678 VanDerWaalsContact C-N 3.33Å; S676-V678 PolarHBondContact O-N 3.03Å; V678-F682 WeakPolarHBondContact O-CB 3.43Å; V678-F682 PolarHBondContact O-N 3.44Å
679S55.2Low54.6Low57 Ų57105 Ų10540%0.39952%0.522SS..Hα-helixtrans-69.6-40.7177.5-170.90000111.5S676 E677 F682 K683 L732S676-S679 WeakPolarHBondContact O-CB 3.46Å; S676-S679 PolarHBondContact O-N 3.43Å; E677-S679 VanDerWaalsContact C-N 3.27Å; E677-S679 PolarHBondContact O-N 2.92Å; S679-F682 PolarHBondContact O-N 3.33Å; S679-K683 WeakPolarHBondContact O-CB 3.34Å; S679-K683 PolarHBondContact O-N 3.21Å; S679-L732 VanDerWaalsContact OG-CD1 3.32Å; S679-L732 WeakPolarHBondContact OG-CD1 3.26Å
680F57.8Low55.4Low140 Ų140105 Ų10561%0.61452%0.521SS*.Hα-helixtrans-63.1-47.5175.2-177.5-93.4000112S676 E677 F682 K683 W684S676-F680 PolarHBondContact O-N 3.07Å; E677-F680 PolarHBondContact O-N 3.04Å; F680-F682 VanDerWaalsContact C-N 3.32Å; F680-F682 PolarHBondContact O-N 3.25Å; F680-K683 WeakPolarHBondContact O-CB 3.33Å; F680-K683 PolarHBondContact O-N 2.61Å; F680-W684 WeakPolarHBondContact O-CB 3.46Å; F680-W684 PolarHBondContact O-N 3.28Å
681L57.3Low56.7Low39 Ų39101.6 Ų101.620%0.20450%0.5CS..Hα-helixtrans-60.6-39.7177-72.2168.7000112.1E677 W684 K685E677-L681 WeakPolarHBondContact O-CG 3.4Å; E677-L681 PolarHBondContact O-N 3.04Å; L681-W684 PolarHBondContact O-N 2.76Å; L681-K685 PolarHBondContact O-N 3.33Å
682F61.4Low57.6Low105 Ų10595.8 Ų95.846%0.46148%0.478SS..Hα-helixtrans-66.2-42.3175.7-163.6-98.2000112.4V678 S679 F680 W684 K685 R686 L728V678-F682 WeakPolarHBondContact O-CB 3.43Å; V678-F682 PolarHBondContact O-N 3.44Å; S679-F682 PolarHBondContact O-N 3.33Å; F680-F682 VanDerWaalsContact C-N 3.32Å; F680-F682 PolarHBondContact O-N 3.25Å; F682-W684 VanDerWaalsContact C-N 3.34Å; F682-W684 PolarHBondContact O-N 3.07Å; F682-K685 PolarHBondContact O-N 3.43Å; F682-R686 HydrophobicContact CD1-CG 4.35Å; F682-R686 HydrophobicContact CE1-CG 4.19Å; F682-R686 WeakPolarHBondContact O-CB 3.29Å; F682-R686 WeakPolarHBondContact O-CG 3.4Å; F682-R686 PolarHBondContact O-N 3.07Å; F682-R686 VanDerWaalsContact O-N 3.07Å; F682-L728 HydrophobicContact CD1-CD1 3.93Å; F682-L728 HydrophobicContact CD1-CD2 4Å; F682-L728 HydrophobicContact CE1-CD1 3.78Å; F682-L728 HydrophobicContact CE1-CD2 3.96Å
683K62.8Low58.9Low88 Ų8889.6 Ų89.638%0.38345%0.45SS..Hα-helixtrans-61.7-40.4174.8-173.4-178-179.5-173.50111.7S679 F680 K687 L732S679-K683 WeakPolarHBondContact O-CB 3.34Å; S679-K683 PolarHBondContact O-N 3.21Å; F680-K683 WeakPolarHBondContact O-CB 3.33Å; F680-K683 PolarHBondContact O-N 2.61Å; K683-K687 WeakPolarHBondContact O-CB 3.33Å; K683-K687 PolarHBondContact O-N 3Å; K683-L732 HydrophobicContact CD-CD2 4.15Å; K683-L732 VanDerWaalsContact NZ-CD2 3.31Å
684W65.6Low60.4Low101 Ų10185.4 Ų85.438%0.38342%0.422SS..Hα-helixtrans-66.6-47.1177.2-175.591.6000112.3L662 F680 L681 F682 R686 K687 R688L662-W684 HydrophobicContact CD1-CE3 4.13Å; L662-W684 HydrophobicContact CD1-CZ3 3.67Å; F680-W684 WeakPolarHBondContact O-CB 3.46Å; F680-W684 PolarHBondContact O-N 3.28Å; L681-W684 PolarHBondContact O-N 2.76Å; F682-W684 VanDerWaalsContact C-N 3.34Å; F682-W684 PolarHBondContact O-N 3.07Å; W684-R686 VanDerWaalsContact C-N 3.34Å; W684-R686 PolarHBondContact O-N 3.1Å; W684-K687 PolarHBondContact O-N 3.46Å; W684-K687 VanDerWaalsContact O-N 3.17Å; W684-R688 VanDerWaalsContact CZ2-CZ 3.46Å; W684-R688 PolarHBondContact O-N 3.49Å
685K65.1Low61.6Low100 Ų10080.8 Ų80.844%0.43540%0.403SS..Hα-helixtrans-55-48.6174.8-178.4175.7-178.8174.30111.5L681 F682 K687 R688 Q689L681-K685 PolarHBondContact O-N 3.33Å; F682-K685 PolarHBondContact O-N 3.43Å; K685-K687 PolarHBondContact O-N 3.22Å; K685-R688 PolarHBondContact O-N 3.42Å; K685-Q689 WeakPolarHBondContact O-CG 3.24Å; K685-Q689 PolarHBondContact O-N 3.37Å
686R62.2Low62.5Low37 Ų3779.3 Ų79.314%0.1438%0.383CS..Hα-helixtrans-60.4-41.8177-81.2-75.1-170.7164.93.4113F682 W684 L690 E724 L728F682-R686 HydrophobicContact CD1-CG 4.35Å; F682-R686 HydrophobicContact CE1-CG 4.19Å; F682-R686 WeakPolarHBondContact O-CB 3.29Å; F682-R686 WeakPolarHBondContact O-CG 3.4Å; F682-R686 PolarHBondContact O-N 3.07Å; F682-R686 VanDerWaalsContact O-N 3.07Å; W684-R686 VanDerWaalsContact C-N 3.34Å; W684-R686 PolarHBondContact O-N 3.1Å; R686-L690 WeakPolarHBondContact O-CB 3.37Å; R686-L690 PolarHBondContact O-N 3.1Å; R686-E724 IonicContact CZ-OE1 3.37Å; R686-E724 IonicContact CZ-OE2 3.81Å; R686-E724 VanDerWaalsContact NH1-CD 3.31Å; R686-E724 IonicContact NH1-OE1 2.79Å; R686-E724 IonicContact NH1-OE2 3.1Å; R686-E724 PolarHBondContact NH1-OE2 3.44Å; R686-E724 IonicContact NH2-OE1 3.32Å; R686-E724 PolarHBondContact NH2-OE1 2.79Å; R686-E724 IonicContact NH2-OE2 2.61Å; R686-E724 PolarHBondContact NH2-OE2 2.93Å; R686-L728 HydrophobicContact CB-CD1 4.4Å; R686-L728 HydrophobicContact CG-CD1 3.78Å
687K69.4Low63.2Low127 Ų12776 Ų7655%0.55236%0.359SS*.Hα-helixtrans-63.4-45.4177.7-165.4-168.5-179.9-143.60111.7K683 W684 K685 L690 E691K683-K687 WeakPolarHBondContact O-CB 3.33Å; K683-K687 PolarHBondContact O-N 3Å; W684-K687 PolarHBondContact O-N 3.46Å; W684-K687 VanDerWaalsContact O-N 3.17Å; K685-K687 PolarHBondContact O-N 3.22Å; K687-L690 WeakPolarHBondContact O-CB 3.27Å; K687-L690 PolarHBondContact O-N 3Å; K687-E691 WeakPolarHBondContact CE-OE1 3.46Å; K687-E691 IonicContact NZ-OE1 2.95Å; K687-E691 PolarHBondContact NZ-OE1 2.81Å; K687-E691 VanDerWaalsContact NZ-OE1 3.1Å; K687-E691 WeakPolarHBondContact O-CG 3.41Å; K687-E691 PolarHBondContact O-N 3.08Å
688R66.8Low64Low79 Ų7976.2 Ų76.230%0.29836%0.358SS..Hα-helixtrans-66.6-39.2178.5-94179.5159.1-156.4-9.1113.9E658 W684 K685 L690 E691 N692E658-R688 IonicContact OE1-CZ 2.71Å; E658-R688 IonicContact OE1-NH1 3.62Å; E658-R688 PolarHBondContact OE1-NH1 3.27Å; E658-R688 IonicContact OE1-NH2 2.76Å; E658-R688 PolarHBondContact OE1-NH2 3.46Å; E658-R688 IonicContact OE2-CZ 3.99Å; E658-R688 IonicContact OE2-NH1 3.66Å; E658-R688 PolarHBondContact OE2-NH1 2.99Å; E658-R688 IonicContact OE2-NH2 3.35Å; W684-R688 VanDerWaalsContact CZ2-CZ 3.46Å; W684-R688 PolarHBondContact O-N 3.49Å; K685-R688 PolarHBondContact O-N 3.42Å; R688-L690 PolarHBondContact O-N 2.8Å; R688-E691 PolarHBondContact O-N 3.45Å; R688-N692 PolarHBondContact O-N 3.36Å
689Q67.6Low64.3Low80 Ų8076.2 Ų76.237%0.37435%0.354SS..Hα-helixtrans-57.4-41.3171.7-73.4176.2-47.300111.5K685 N692 L693 L721K685-Q689 WeakPolarHBondContact O-CG 3.24Å; K685-Q689 PolarHBondContact O-N 3.37Å; Q689-N692 PolarHBondContact O-N 3.18Å; Q689-L693 WeakPolarHBondContact O-CG 3.32Å; Q689-L693 PolarHBondContact O-N 2.99Å; Q689-L693 VanDerWaalsContact O-N 3.08Å; Q689-L721 HydrophobicContact CB-CD2 4.27Å
690L64.7Low64.4Low29 Ų2974.6 Ų74.615%0.15234%0.341CS..Hα-helixtrans-71.3-31.5178-165.7151.2000112.8R686 K687 R688 N694 L721 K722 C725R686-L690 WeakPolarHBondContact O-CB 3.37Å; R686-L690 PolarHBondContact O-N 3.1Å; K687-L690 WeakPolarHBondContact O-CB 3.27Å; K687-L690 PolarHBondContact O-N 3Å; R688-L690 PolarHBondContact O-N 2.8Å; L690-N694 WeakPolarHBondContact CD2-ND2 3.32Å; L690-N694 WeakPolarHBondContact O-CB 3.08Å; L690-N694 PolarHBondContact O-N 3.09Å; L690-N694 PolarHBondContact O-ND2 3.01Å; L690-L721 HydrophobicContact CD1-CB 4.36Å; L690-K722 HydrophobicContact CD1-CB 4.44Å; L690-K722 HydrophobicContact CD1-CG 3.79Å; L690-K722 HydrophobicContact CG-CG 4.5Å; L690-C725 HydrophobicContact CD1-CB 4.29Å
691E71.2Confident64.5Low82 Ų8275.5 Ų75.538%0.38334%0.34SS..Hα-helixtrans-68.5-43.2171.7-73.3166.1-177.300111.4K687 R688 N694 L695K687-E691 WeakPolarHBondContact CE-OE1 3.46Å; K687-E691 IonicContact NZ-OE1 2.95Å; K687-E691 PolarHBondContact NZ-OE1 2.81Å; K687-E691 VanDerWaalsContact NZ-OE1 3.1Å; K687-E691 WeakPolarHBondContact O-CG 3.41Å; K687-E691 PolarHBondContact O-N 3.08Å; R688-E691 PolarHBondContact O-N 3.45Å; E691-N694 PolarHBondContact O-N 2.99Å; E691-L695 WeakPolarHBondContact O-CG 3.44Å; E691-L695 PolarHBondContact O-N 3.43Å
692N68.2Low64.2Low64 Ų6478.7 Ų78.734%0.34236%0.364SS..Hα-helixtrans-61.8-50.8175.5-86.9-0.8000113.1L655 R688 Q689 N694 L695 E696L655-N692 VanDerWaalsContact CD1-ND2 3.31Å; L655-N692 WeakPolarHBondContact CD1-ND2 3.48Å; L655-N692 VanDerWaalsContact CD2-ND2 3.31Å; L655-N692 WeakPolarHBondContact CD2-ND2 3.47Å; R688-N692 PolarHBondContact O-N 3.36Å; Q689-N692 PolarHBondContact O-N 3.18Å; N692-N694 VanDerWaalsContact C-N 3.27Å; N692-N694 PolarHBondContact O-N 2.85Å; N692-L695 CarbonylContact O-C 3.58Å; N692-L695 WeakPolarHBondContact O-CA 3.48Å; N692-L695 WeakPolarHBondContact O-CB 3.33Å; N692-L695 PolarHBondContact O-N 3.31Å; N692-E696 PolarHBondContact O-N 3.44Å
693L67.5Low63.6Low18 Ų1878.3 Ų78.39%0.09436%0.364CS..Hα-helixtrans-64.7-31.4-179.1-69.2162.6000112.5Q689 L695 E696 L697 L714 E717 V718 L721Q689-L693 WeakPolarHBondContact O-CG 3.32Å; Q689-L693 PolarHBondContact O-N 2.99Å; Q689-L693 VanDerWaalsContact O-N 3.08Å; L693-L695 VanDerWaalsContact C-N 3.28Å; L693-L695 PolarHBondContact O-N 2.98Å; L693-E696 PolarHBondContact O-N 2.83Å; L693-L697 WeakPolarHBondContact O-CB 3.48Å; L693-L697 PolarHBondContact O-N 3.33Å; L693-L714 HydrophobicContact CD2-CD2 3.47Å; L693-L714 VanDerWaalsContact CD2-CD2 3.47Å; L693-E717 HydrophobicContact CD1-CB 4.49Å; L693-E717 WeakPolarHBondContact CD2-OE2 3.43Å; L693-V718 HydrophobicContact CB-CG2 3.42Å; L693-V718 VanDerWaalsContact CB-CG2 3.42Å; L693-V718 HydrophobicContact CD1-CG2 4.26Å; L693-V718 HydrophobicContact CG-CG2 4.41Å; L693-L721 HydrophobicContact CD1-CD1 3.27Å
694N68.2Low63.2Low48 Ų4879.9 Ų79.926%0.25738%0.383SS..Hα-helixtrans-68.2-26.1170.4-85.5-64.4000112.9L690 E691 N692 K698L690-N694 WeakPolarHBondContact CD2-ND2 3.32Å; L690-N694 WeakPolarHBondContact O-CB 3.08Å; L690-N694 PolarHBondContact O-N 3.09Å; L690-N694 PolarHBondContact O-ND2 3.01Å; E691-N694 PolarHBondContact O-N 2.99Å; N692-N694 VanDerWaalsContact C-N 3.27Å; N692-N694 PolarHBondContact O-N 2.85Å; N694-K698 WeakPolarHBondContact O-CD 3.33Å; N694-K698 VanDerWaalsContact O-CG 3.25Å; N694-K698 WeakPolarHBondContact O-CG 3.34Å; N694-K698 PolarHBondContact O-N 3.22Å
695L64.4Low62.4Low80 Ų8084 Ų8442%0.41941%0.407SS..Hα-helixtrans-78.3-41.1173.7-72.9164.9000111.2E691 N692 L693 K698 L699E691-L695 WeakPolarHBondContact O-CG 3.44Å; E691-L695 PolarHBondContact O-N 3.43Å; N692-L695 CarbonylContact O-C 3.58Å; N692-L695 WeakPolarHBondContact O-CA 3.48Å; N692-L695 WeakPolarHBondContact O-CB 3.33Å; N692-L695 PolarHBondContact O-N 3.31Å; L693-L695 VanDerWaalsContact C-N 3.28Å; L693-L695 PolarHBondContact O-N 2.98Å; L695-K698 WeakPolarHBondContact O-CB 3.45Å; L695-K698 PolarHBondContact O-N 3.44Å; L695-K698 VanDerWaalsContact O-N 3.12Å; L695-L699 WeakPolarHBondContact O-CG 3.42Å; L695-L699 PolarHBondContact O-N 3.06Å
696E65.4Low61.6Low88 Ų8883.6 Ų83.641%0.41141%0.409SS..Hα-helixtrans-59.9-46170.9-72.3-172.5137.500111.7N692 L693 K698 L699 L700N692-E696 PolarHBondContact O-N 3.44Å; L693-E696 PolarHBondContact O-N 2.83Å; E696-K698 PolarHBondContact O-N 3Å; E696-L699 PolarHBondContact O-N 3.06Å; E696-L699 VanDerWaalsContact O-N 3.15Å; E696-L700 WeakPolarHBondContact O-CB 3.44Å; E696-L700 WeakPolarHBondContact O-CG 3.25Å; E696-L700 PolarHBondContact O-N 2.82Å
697L61.6Low61.1Low11 Ų1185.1 Ų85.16%0.05843%0.425CS..Hα-helixtrans-61.2-29173.5-81.4175.2000113.5L693 R701 L714 E715 V718L693-L697 WeakPolarHBondContact O-CB 3.48Å; L693-L697 PolarHBondContact O-N 3.33Å; L697-R701 WeakPolarHBondContact O-CD 3.08Å; L697-R701 WeakPolarHBondContact O-CG 3.47Å; L697-R701 PolarHBondContact O-N 3.31Å; L697-L714 HydrophobicContact CD2-CB 3.75Å; L697-L714 HydrophobicContact CG-CB 4.09Å; L697-E715 HydrophobicContact CD1-CG 4.16Å; L697-E715 HydrophobicContact CD2-CG 3.67Å; L697-V718 HydrophobicContact CD1-CB 4.08Å; L697-V718 HydrophobicContact CD1-CG1 4.38Å; L697-V718 HydrophobicContact CD1-CG2 3.7Å
698K67.8Low60.6Low133 Ų13384.5 Ų84.558%0.57843%0.428SS*.Hα-helixtrans-74.7-41.8173.4-78.9171.2-178.1178.30111.6N694 L695 E696 R701 C702N694-K698 WeakPolarHBondContact O-CD 3.33Å; N694-K698 VanDerWaalsContact O-CG 3.25Å; N694-K698 WeakPolarHBondContact O-CG 3.34Å; N694-K698 PolarHBondContact O-N 3.22Å; L695-K698 WeakPolarHBondContact O-CB 3.45Å; L695-K698 PolarHBondContact O-N 3.44Å; L695-K698 VanDerWaalsContact O-N 3.12Å; E696-K698 PolarHBondContact O-N 3Å; K698-R701 WeakPolarHBondContact O-CB 3.5Å; K698-R701 PolarHBondContact O-N 2.92Å; K698-R701 VanDerWaalsContact O-N 3.12Å; K698-C702 PolarHBondContact O-N 3.45Å; K698-C702 PolarHBondContact O-SG 3.5Å
699L59.5Low60.2Low95 Ų9586.6 Ų86.650%0.49744%0.444SS..Hα-helixtrans-62.7-44.1175.7-70.1164.7000111.2L695 E696 R701 C702 Q703L695-L699 WeakPolarHBondContact O-CG 3.42Å; L695-L699 PolarHBondContact O-N 3.06Å; E696-L699 PolarHBondContact O-N 3.06Å; E696-L699 VanDerWaalsContact O-N 3.15Å; L699-R701 PolarHBondContact O-N 2.91Å; L699-C702 WeakPolarHBondContact O-CA 3.36Å; L699-C702 WeakPolarHBondContact O-CB 3.44Å; L699-C702 PolarHBondContact O-N 2.84Å; L699-Q703 PolarHBondContact O-N 3.41Å
700L58.4Low60.1Low23 Ų2388 Ų8812%0.1245%0.446CS..Hα-helixtrans-71.1-5.6174-67.8170.7000114.6E696 L706 R711 L714E696-L700 WeakPolarHBondContact O-CB 3.44Å; E696-L700 WeakPolarHBondContact O-CG 3.25Å; E696-L700 PolarHBondContact O-N 2.82Å; L700-L706 HydrophobicContact CD2-CB 3.99Å; L700-L706 HydrophobicContact CD2-CD1 3.5Å; L700-L706 HydrophobicContact CD2-CG 4.42Å; L700-R711 PolarHBondContact O-NH2 2.94Å; L700-L714 HydrophobicContact CD1-CD1 3.19Å
701R58.6Low60Low159 Ų15990.2 Ų90.260%0.645%0.452SS*.Hα-helixtrans-91.9-16.1166.1-77.2170.8-174.8-163-0.2112.4L697 K698 L699 E715L697-R701 WeakPolarHBondContact O-CD 3.08Å; L697-R701 WeakPolarHBondContact O-CG 3.47Å; L697-R701 PolarHBondContact O-N 3.31Å; K698-R701 WeakPolarHBondContact O-CB 3.5Å; K698-R701 PolarHBondContact O-N 2.92Å; K698-R701 VanDerWaalsContact O-N 3.12Å; L699-R701 PolarHBondContact O-N 2.91Å; R701-E715 IonicContact NH2-OE1 3.85Å; R701-E715 PolarHBondContact NH2-OE1 3.11Å; R701-E715 VanDerWaalsContact NH2-OE1 3.1Å
702C51.1Low60Low105 Ų10589.6 Ų89.671%0.70946%0.456SS*.Hα-helixtrans-91.9-11.2173.9-63.50000113.4K698 L699K698-C702 PolarHBondContact O-N 3.45Å; K698-C702 PolarHBondContact O-SG 3.5Å; L699-C702 WeakPolarHBondContact O-CA 3.36Å; L699-C702 WeakPolarHBondContact O-CB 3.44Å; L699-C702 PolarHBondContact O-N 2.84Å
703Q49.5Very low60.2Low97 Ų9791 Ų9145%0.45346%0.461SS..  trans-113.3108.2174.5-71.2-178.6-16.700109.9L699 E705L699-Q703 PolarHBondContact O-N 3.41Å; Q703-E705 PolarHBondContact O-N 3.22Å
704P54.1Low60.1Low121 Ų12190.3 Ų90.379%0.78646%0.457SS*.THydrogen-bonded Turntrans-70.2-17.9177.2-19.133000114.2
705E48.8Very low60.4Low188 Ų18890.8 Ų90.888%0.87946%0.458SS*.THydrogen-bonded Turntrans-94.3-3.3-164-61.6173.4176.900114.1Q703Q703-E705 PolarHBondContact O-N 3.22Å
706L48.5Very low61Low91 Ų9191.3 Ų91.348%0.47646%0.461SS..SBendtrans-98.2131.5176.9-73.6176.7000111.5L700L700-L706 HydrophobicContact CD2-CB 3.99Å; L700-L706 HydrophobicContact CD2-CD1 3.5Å; L700-L706 HydrophobicContact CD2-CG 4.42Å
707S52.7Low61.3Low69 Ų6990.6 Ų90.648%0.48346%0.457SS..  trans-54.9141.6-162.963.50000115.4I709 R710 R711S707-I709 PolarHBondContact O-N 3.39Å; S707-R710 PolarHBondContact O-N 3.2Å; S707-R711 PolarHBondContact O-N 3.38Å
708D57.7Low61.8Low114 Ų11490.3 Ų90.361%0.6146%0.456SS*.Hα-helixtrans-54.4-25.3174.3-71.9-52.1000113S712D708-S712 VanDerWaalsContact O-CB 3.25Å; D708-S712 WeakPolarHBondContact O-CB 3.47Å; D708-S712 PolarHBondContact O-N 3.3Å; D708-S712 PolarHBondContact O-OG 3.23Å
709I58.4Low62.3Low124 Ų12491.5 Ų91.564%0.63646%0.457SS*.Hα-helixtrans-60.5-48173.5-57.4174.3000110.8S707 S712 Q713S707-I709 PolarHBondContact O-N 3.39Å; I709-S712 PolarHBondContact O-N 2.96Å; I709-Q713 PolarHBondContact O-N 2.99Å
710R65.2Low63.1Low110 Ų11092.3 Ų92.342%0.41546%0.458SS..Hα-helixtrans-71.9-36.4-179-170.560.6179.7164.75.5111.7S707 L714S707-R710 PolarHBondContact O-N 3.2Å; R710-L714 HydrophobicContact CG-CD1 4.28Å; R710-L714 PolarHBondContact O-N 3.03Å
711R64Low63.7Low74 Ų7492.2 Ų92.228%0.27946%0.458SS..Hα-helixtrans-60.1-45.9170.8-176.7-179.6-78.2169.2-1.8111L700 S707 L714 E715L700-R711 PolarHBondContact O-NH2 2.94Å; S707-R711 PolarHBondContact O-N 3.38Å; R711-L714 PolarHBondContact O-N 3.29Å; R711-E715 WeakPolarHBondContact O-CG 3.5Å; R711-E715 PolarHBondContact O-N 3.02Å
712S70.5Confident64.5Low69 Ų6989.8 Ų89.848%0.48345%0.452SS..Hα-helixtrans-64.6-41.2-179.8-610000112.9D708 I709 E715 L716D708-S712 VanDerWaalsContact O-CB 3.25Å; D708-S712 WeakPolarHBondContact O-CB 3.47Å; D708-S712 PolarHBondContact O-N 3.3Å; D708-S712 PolarHBondContact O-OG 3.23Å; I709-S712 PolarHBondContact O-N 2.96Å; S712-E715 PolarHBondContact O-N 2.96Å; S712-L716 PolarHBondContact O-N 2.97Å; S712-L716 VanDerWaalsContact O-N 3.09Å
713Q72.3Confident65.8Low94 Ų9487.1 Ų87.144%0.43943%0.434SS..Hα-helixtrans-58.3-50.2173.2-82.7-176.8-21.800111.9I709 E715 L716 E717I709-Q713 PolarHBondContact O-N 2.99Å; Q713-E715 VanDerWaalsContact C-N 3.34Å; Q713-E715 PolarHBondContact O-N 3Å; Q713-L716 WeakPolarHBondContact O-CA 3.28Å; Q713-L716 VanDerWaalsContact O-CB 3.27Å; Q713-L716 WeakPolarHBondContact O-CB 3.47Å; Q713-L716 PolarHBondContact O-N 3.46Å; Q713-L716 VanDerWaalsContact O-N 3.08Å; Q713-E717 PolarHBondContact O-N 2.85Å
714L65.8Low66.9Low3 Ų386.1 Ų86.12%0.01643%0.43CS..Hα-helixtrans-68.6-31.5-178.1-75.8162.8000112.8L693 L697 L700 R710 R711 L716 V718L693-L714 HydrophobicContact CD2-CD2 3.47Å; L693-L714 VanDerWaalsContact CD2-CD2 3.47Å; L697-L714 HydrophobicContact CD2-CB 3.75Å; L697-L714 HydrophobicContact CG-CB 4.09Å; L700-L714 HydrophobicContact CD1-CD1 3.19Å; R710-L714 HydrophobicContact CG-CD1 4.28Å; R710-L714 PolarHBondContact O-N 3.03Å; R711-L714 PolarHBondContact O-N 3.29Å; L714-L716 VanDerWaalsContact C-N 3.32Å; L714-V718 WeakPolarHBondContact O-CB 3.49Å; L714-V718 VanDerWaalsContact O-CG2 3.31Å; L714-V718 WeakPolarHBondContact O-CG2 3.39Å; L714-V718 PolarHBondContact O-N 2.71Å
715E73.7Confident67.5Low58 Ų5881 Ų8127%0.27140%0.396SS..Hα-helixtrans-67.3-32.2170.5-71.6-160.4167.600112.7L697 R701 R711 S712 Q713 R719L697-E715 HydrophobicContact CD1-CG 4.16Å; L697-E715 HydrophobicContact CD2-CG 3.67Å; R701-E715 IonicContact NH2-OE1 3.85Å; R701-E715 PolarHBondContact NH2-OE1 3.11Å; R701-E715 VanDerWaalsContact NH2-OE1 3.1Å; R711-E715 WeakPolarHBondContact O-CG 3.5Å; R711-E715 PolarHBondContact O-N 3.02Å; S712-E715 PolarHBondContact O-N 2.96Å; Q713-E715 VanDerWaalsContact C-N 3.34Å; Q713-E715 PolarHBondContact O-N 3Å; E715-R719 WeakPolarHBondContact O-CG 3.5Å; E715-R719 PolarHBondContact O-N 3.12Å; E715-R719 VanDerWaalsContact O-N 3.13Å; E715-R719 IonicContact OE2-NH2 2.75Å
716L76.3Confident68.7Low91 Ų9174.6 Ų74.648%0.47638%0.376SS..Hα-helixtrans-67.3-53.9172.2-110.6157.9000111.4S712 Q713 L714 V718 R719 E720S712-L716 PolarHBondContact O-N 2.97Å; S712-L716 VanDerWaalsContact O-N 3.09Å; Q713-L716 WeakPolarHBondContact O-CA 3.28Å; Q713-L716 VanDerWaalsContact O-CB 3.27Å; Q713-L716 WeakPolarHBondContact O-CB 3.47Å; Q713-L716 PolarHBondContact O-N 3.46Å; Q713-L716 VanDerWaalsContact O-N 3.08Å; L714-L716 VanDerWaalsContact C-N 3.32Å; L716-V718 VanDerWaalsContact C-N 3.25Å; L716-V718 PolarHBondContact O-N 3.26Å; L716-R719 WeakPolarHBondContact O-CA 3.39Å; L716-R719 WeakPolarHBondContact O-CB 3.49Å; L716-R719 PolarHBondContact O-N 3.34Å; L716-E720 PolarHBondContact O-N 3.47Å
717E73.7Confident70.1Confident73 Ų7376.8 Ų76.834%0.34138%0.381SS..Hα-helixtrans-55.1-40.8177.1-71.6178.6-166.600111.6L693 Q713 E720 L721L693-E717 HydrophobicContact CD1-CB 4.49Å; L693-E717 WeakPolarHBondContact CD2-OE2 3.43Å; Q713-E717 PolarHBondContact O-N 2.85Å; E717-E720 PolarHBondContact O-N 2.96Å; E717-L721 WeakPolarHBondContact O-CB 3.45Å; E717-L721 PolarHBondContact O-N 3.02Å
718V70.5Confident70.7Confident5 Ų575.8 Ų75.83%0.0337%0.37CS..Hα-helixtrans-68.2-33.7176167.70000112.9L693 L697 L714 L716 K722L693-V718 HydrophobicContact CB-CG2 3.42Å; L693-V718 VanDerWaalsContact CB-CG2 3.42Å; L693-V718 HydrophobicContact CD1-CG2 4.26Å; L693-V718 HydrophobicContact CG-CG2 4.41Å; L697-V718 HydrophobicContact CD1-CB 4.08Å; L697-V718 HydrophobicContact CD1-CG1 4.38Å; L697-V718 HydrophobicContact CD1-CG2 3.7Å; L714-V718 WeakPolarHBondContact O-CB 3.49Å; L714-V718 VanDerWaalsContact O-CG2 3.31Å; L714-V718 WeakPolarHBondContact O-CG2 3.39Å; L714-V718 PolarHBondContact O-N 2.71Å; L716-V718 VanDerWaalsContact C-N 3.25Å; L716-V718 PolarHBondContact O-N 3.26Å; V718-K722 HydrophobicContact CG1-CD 4.02Å; V718-K722 HydrophobicContact CG1-CG 4.48Å; V718-K722 VanDerWaalsContact O-CB 3.27Å; V718-K722 WeakPolarHBondContact O-CB 3.32Å; V718-K722 WeakPolarHBondContact O-CD 3.24Å; V718-K722 WeakPolarHBondContact O-CG 3.45Å; V718-K722 PolarHBondContact O-N 2.98Å
719R78Confident71.2Confident158 Ų15877.9 Ų77.960%0.59637%0.37SS*.Hα-helixtrans-67.6-44.4172.2-75.2178.8-151.4147.810.6111.2E715 L716 K722 S723E715-R719 WeakPolarHBondContact O-CG 3.5Å; E715-R719 PolarHBondContact O-N 3.12Å; E715-R719 VanDerWaalsContact O-N 3.13Å; E715-R719 IonicContact OE2-NH2 2.75Å; L716-R719 WeakPolarHBondContact O-CA 3.39Å; L716-R719 WeakPolarHBondContact O-CB 3.49Å; L716-R719 PolarHBondContact O-N 3.34Å; R719-K722 PolarHBondContact O-N 2.85Å; R719-S723 PolarHBondContact O-N 3.27Å
720E78.3Confident71.8Confident112 Ų11279 Ų7952%0.52337%0.367SS..Hα-helixtrans-61.6-51.6178.8-69.7-176.116700111.1L716 E717 K722 S723 E724L716-E720 PolarHBondContact O-N 3.47Å; E717-E720 PolarHBondContact O-N 2.96Å; E720-K722 VanDerWaalsContact C-N 3.32Å; E720-K722 PolarHBondContact O-N 3.48Å; E720-S723 WeakPolarHBondContact O-CA 3.44Å; E720-S723 WeakPolarHBondContact O-CB 3.46Å; E720-S723 PolarHBondContact O-N 3.46Å; E720-S723 PolarHBondContact O-OG 3.39Å; E720-E724 PolarHBondContact O-N 3.24Å
721L69.5Low72.1Confident22 Ų2280.6 Ų80.612%0.11538%0.377CS..Hα-helixtrans-61.4-35.8176.2-97.1151.1000113.1Q689 L690 L693 E717 C725Q689-L721 HydrophobicContact CB-CD2 4.27Å; L690-L721 HydrophobicContact CD1-CB 4.36Å; L693-L721 HydrophobicContact CD1-CD1 3.27Å; E717-L721 WeakPolarHBondContact O-CB 3.45Å; E717-L721 PolarHBondContact O-N 3.02Å; L721-C725 VanDerWaalsContact O-CB 3.3Å; L721-C725 WeakPolarHBondContact O-CB 3.07Å; L721-C725 PolarHBondContact O-N 3.14Å; L721-C725 PolarHBondContact O-SG 2.96Å
722K75.3Confident72.1Confident107 Ų10778.6 Ų78.647%0.46537%0.372SS..Hα-helixtrans-61.9-44.8170.4-80.8171.5-178.7173.90111.4L690 V718 R719 E720 E724 C725 A726L690-K722 HydrophobicContact CD1-CB 4.44Å; L690-K722 HydrophobicContact CD1-CG 3.79Å; L690-K722 HydrophobicContact CG-CG 4.5Å; V718-K722 HydrophobicContact CG1-CD 4.02Å; V718-K722 HydrophobicContact CG1-CG 4.48Å; V718-K722 VanDerWaalsContact O-CB 3.27Å; V718-K722 WeakPolarHBondContact O-CB 3.32Å; V718-K722 WeakPolarHBondContact O-CD 3.24Å; V718-K722 WeakPolarHBondContact O-CG 3.45Å; V718-K722 PolarHBondContact O-N 2.98Å; R719-K722 PolarHBondContact O-N 2.85Å; E720-K722 VanDerWaalsContact C-N 3.32Å; E720-K722 PolarHBondContact O-N 3.48Å; K722-E724 PolarHBondContact O-N 2.86Å; K722-C725 PolarHBondContact O-N 2.9Å; K722-A726 PolarHBondContact O-N 3.42Å
723S78.6Confident72.2Confident50 Ų5078.1 Ų78.135%0.3537%0.366SS..Hα-helixtrans-63.4-40.717987.40000112.1R719 E720 A726 K727R719-S723 PolarHBondContact O-N 3.27Å; E720-S723 WeakPolarHBondContact O-CA 3.44Å; E720-S723 WeakPolarHBondContact O-CB 3.46Å; E720-S723 PolarHBondContact O-N 3.46Å; E720-S723 PolarHBondContact O-OG 3.39Å; S723-A726 WeakPolarHBondContact O-CB 3.31Å; S723-A726 PolarHBondContact O-N 3.21Å; S723-K727 WeakPolarHBondContact O-CG 3.41Å; S723-K727 PolarHBondContact O-N 3.29Å
724E73Confident72.2Confident75 Ų7576.3 Ų76.335%0.3536%0.359SS..Hα-helixtrans-73.2-37.3178.9-67.7-168.289.800111.8R686 E720 K722 A726 K727 L728R686-E724 IonicContact CZ-OE1 3.37Å; R686-E724 IonicContact CZ-OE2 3.81Å; R686-E724 VanDerWaalsContact NH1-CD 3.31Å; R686-E724 IonicContact NH1-OE1 2.79Å; R686-E724 IonicContact NH1-OE2 3.1Å; R686-E724 PolarHBondContact NH1-OE2 3.44Å; R686-E724 IonicContact NH2-OE1 3.32Å; R686-E724 PolarHBondContact NH2-OE1 2.79Å; R686-E724 IonicContact NH2-OE2 2.61Å; R686-E724 PolarHBondContact NH2-OE2 2.93Å; E720-E724 PolarHBondContact O-N 3.24Å; K722-E724 PolarHBondContact O-N 2.86Å; E724-A726 PolarHBondContact O-N 3.27Å; E724-K727 PolarHBondContact O-N 2.91Å; E724-L728 WeakPolarHBondContact O-CB 3.44Å; E724-L728 VanDerWaalsContact O-CG 3.27Å; E724-L728 WeakPolarHBondContact O-CG 3.36Å; E724-L728 PolarHBondContact O-N 3.08Å
725C66.6Low72.2Confident13 Ų1379.5 Ų79.59%0.08838%0.381CS..Hα-helixtrans-62.8-29.8169.8-70.50000112.9L690 L721 K722 R729L690-C725 HydrophobicContact CD1-CB 4.29Å; L721-C725 VanDerWaalsContact O-CB 3.3Å; L721-C725 WeakPolarHBondContact O-CB 3.07Å; L721-C725 PolarHBondContact O-N 3.14Å; L721-C725 PolarHBondContact O-SG 2.96Å; K722-C725 PolarHBondContact O-N 2.9Å; C725-R729 WeakPolarHBondContact O-CG 3.36Å; C725-R729 PolarHBondContact O-N 3.48Å; C725-R729 PolarHBondContact O-NE 3.19Å
726A74.9Confident71.8Confident54 Ų5481.9 Ų81.945%0.44639%0.392SS..Hα-helixtrans-73.2-46.9173.200000111.5K722 S723 E724 L728 R729 Y730K722-A726 PolarHBondContact O-N 3.42Å; S723-A726 WeakPolarHBondContact O-CB 3.31Å; S723-A726 PolarHBondContact O-N 3.21Å; E724-A726 PolarHBondContact O-N 3.27Å; A726-L728 VanDerWaalsContact C-N 3.3Å; A726-L728 PolarHBondContact O-N 2.96Å; A726-R729 WeakPolarHBondContact O-CB 3.47Å; A726-R729 PolarHBondContact O-N 3.32Å; A726-R729 VanDerWaalsContact O-N 3.16Å; A726-Y730 PolarHBondContact O-N 3.35Å
727K76.7Confident71.6Confident137 Ų13784.3 Ų84.360%0.59640%0.395SS*.Hα-helixtrans-56.7-41.6174.3-70.8169.6-178171.60112.2S723 E724 Y730 K731S723-K727 WeakPolarHBondContact O-CG 3.41Å; S723-K727 PolarHBondContact O-N 3.29Å; E724-K727 PolarHBondContact O-N 2.91Å; K727-Y730 PolarHBondContact O-N 2.87Å; K727-K731 PolarHBondContact O-N 2.96Å; K727-K731 VanDerWaalsContact O-N 3.1Å
728L66.7Low71.5Confident48 Ų4887.7 Ų87.725%0.25141%0.409SS..Hα-helixtrans-68.1-38.9176.6-71.7166.4000112.7F682 R686 E724 A726 K731 L732F682-L728 HydrophobicContact CD1-CD1 3.93Å; F682-L728 HydrophobicContact CD1-CD2 4Å; F682-L728 HydrophobicContact CE1-CD1 3.78Å; F682-L728 HydrophobicContact CE1-CD2 3.96Å; R686-L728 HydrophobicContact CB-CD1 4.4Å; R686-L728 HydrophobicContact CG-CD1 3.78Å; E724-L728 WeakPolarHBondContact O-CB 3.44Å; E724-L728 VanDerWaalsContact O-CG 3.27Å; E724-L728 WeakPolarHBondContact O-CG 3.36Å; E724-L728 PolarHBondContact O-N 3.08Å; A726-L728 VanDerWaalsContact C-N 3.3Å; A726-L728 PolarHBondContact O-N 2.96Å; L728-K731 PolarHBondContact O-N 3.5Å; L728-L732 WeakPolarHBondContact O-CB 3.49Å; L728-L732 PolarHBondContact O-N 2.94Å
729R68.2Low71.3Confident158 Ų15891.9 Ų91.960%0.59643%0.43SS*.Hα-helixtrans-59.6-46.6172.8-82.9-176.6-110.2-157.2-1.5111.4C725 A726 K731 L732 T733C725-R729 WeakPolarHBondContact O-CG 3.36Å; C725-R729 PolarHBondContact O-N 3.48Å; C725-R729 PolarHBondContact O-NE 3.19Å; A726-R729 WeakPolarHBondContact O-CB 3.47Å; A726-R729 PolarHBondContact O-N 3.32Å; A726-R729 VanDerWaalsContact O-N 3.16Å; R729-K731 PolarHBondContact O-N 2.92Å; R729-L732 WeakPolarHBondContact O-CB 3.39Å; R729-L732 PolarHBondContact O-N 3.33Å; R729-T733 PolarHBondContact O-N 3.34Å; R729-T733 PolarHBondContact O-OG1 3.26Å
730Y71.1Confident70.9Confident147 Ų14791 Ų9158%0.57643%0.431SS*.Hα-helixtrans-60-47178.8-165.8-82.7000112.2A726 K727 L732 T733 D734A726-Y730 PolarHBondContact O-N 3.35Å; K727-Y730 PolarHBondContact O-N 2.87Å; Y730-L732 VanDerWaalsContact C-N 3.31Å; Y730-L732 PolarHBondContact O-N 3.05Å; Y730-T733 WeakPolarHBondContact CA-OG1 3.39Å; Y730-T733 PolarHBondContact O-N 3.07Å; Y730-T733 PolarHBondContact O-OG1 3.02Å; Y730-D734 WeakPolarHBondContact CE1-OD2 3.31Å; Y730-D734 PolarHBondContact O-N 3.21Å
731K70.3Confident70.5Confident144 Ų14490.7 Ų90.763%0.62644%0.436SS*.Hα-helixtrans-59.6-39.3174.8-73.3-174177.8-171.40112.7K727 L728 R729 D734 C735K727-K731 PolarHBondContact O-N 2.96Å; K727-K731 VanDerWaalsContact O-N 3.1Å; L728-K731 PolarHBondContact O-N 3.5Å; R729-K731 PolarHBondContact O-N 2.92Å; K731-D734 PolarHBondContact O-N 3.01Å; K731-C735 PolarHBondContact O-N 2.93Å; K731-C735 PolarHBondContact O-SG 3.25Å; K731-C735 VanDerWaalsContact O-SG 3.4Å
732L65.2Low70.4Confident33 Ų3396.3 Ų96.317%0.17346%0.461CS..Hα-helixtrans-64.3-46.4178-155.289.7000111.3S679 K683 L728 R729 Y730 D734 C735 E736S679-L732 VanDerWaalsContact OG-CD1 3.32Å; S679-L732 WeakPolarHBondContact OG-CD1 3.26Å; K683-L732 HydrophobicContact CD-CD2 4.15Å; K683-L732 VanDerWaalsContact NZ-CD2 3.31Å; L728-L732 WeakPolarHBondContact O-CB 3.49Å; L728-L732 PolarHBondContact O-N 2.94Å; R729-L732 WeakPolarHBondContact O-CB 3.39Å; R729-L732 PolarHBondContact O-N 3.33Å; Y730-L732 VanDerWaalsContact C-N 3.31Å; Y730-L732 PolarHBondContact O-N 3.05Å; L732-D734 VanDerWaalsContact C-N 3.25Å; L732-D734 PolarHBondContact O-N 3.01Å; L732-C735 PolarHBondContact O-N 2.97Å; L732-C735 VanDerWaalsContact O-N 3.15Å; L732-E736 WeakPolarHBondContact CD2-OE1 3.44Å; L732-E736 WeakPolarHBondContact O-CG 3.32Å; L732-E736 PolarHBondContact O-N 2.91Å
733T71.8Confident69.8Low59 Ų5997.8 Ų97.836%0.36247%0.468SS..Hα-helixtrans-65.2-26.2177.346.70000113.3R729 Y730 R737R729-T733 PolarHBondContact O-N 3.34Å; R729-T733 PolarHBondContact O-OG1 3.26Å; Y730-T733 WeakPolarHBondContact CA-OG1 3.39Å; Y730-T733 PolarHBondContact O-N 3.07Å; Y730-T733 PolarHBondContact O-OG1 3.02Å; T733-R737 WeakPolarHBondContact O-CB 3.5Å; T733-R737 VanDerWaalsContact O-CG 3.28Å; T733-R737 WeakPolarHBondContact O-CG 3.47Å; T733-R737 PolarHBondContact O-N 3.3Å; T733-R737 VanDerWaalsContact O-N 3.09Å; T733-R737 PolarHBondContact O-NE 2.89Å
734D72.5Confident69.2Low55 Ų5599.5 Ų99.529%0.29447%0.473SS..Hα-helixtrans-73.7-41.1170.9-82.50.3000112.3Y730 K731 L732 R737 K738Y730-D734 WeakPolarHBondContact CE1-OD2 3.31Å; Y730-D734 PolarHBondContact O-N 3.21Å; K731-D734 PolarHBondContact O-N 3.01Å; L732-D734 VanDerWaalsContact C-N 3.25Å; L732-D734 PolarHBondContact O-N 3.01Å; D734-R737 PolarHBondContact O-N 3.37Å; D734-R737 IonicContact OD1-CZ 3.96Å; D734-R737 IonicContact OD1-NE 3.81Å; D734-R737 IonicContact OD1-NH2 2.73Å; D734-R737 PolarHBondContact OD1-NH2 3.43Å; D734-K738 WeakPolarHBondContact O-CG 3.5Å; D734-K738 PolarHBondContact O-N 2.88Å
735C64.5Low68.6Low70 Ų7097.4 Ų97.447%0.47347%0.472SS..Hα-helixtrans-64.2-44.4173.5-67.40000111.8K731 L732 R737 K738 I739K731-C735 PolarHBondContact O-N 2.93Å; K731-C735 PolarHBondContact O-SG 3.25Å; K731-C735 VanDerWaalsContact O-SG 3.4Å; L732-C735 PolarHBondContact O-N 2.97Å; L732-C735 VanDerWaalsContact O-N 3.15Å; C735-R737 VanDerWaalsContact C-N 3.32Å; C735-R737 PolarHBondContact O-N 3.46Å; C735-K738 PolarHBondContact O-N 3.17Å; C735-I739 VanDerWaalsContact O-CG1 3.31Å; C735-I739 WeakPolarHBondContact O-CG1 3.48Å; C735-I739 PolarHBondContact O-N 3.37Å
736E66.4Low68.1Low109 Ų10999.5 Ų99.551%0.50949%0.49SS..Hα-helixtrans-59.6-41.2175.6-72.8167.4175.600111.6L732 K740L732-E736 WeakPolarHBondContact CD2-OE1 3.44Å; L732-E736 WeakPolarHBondContact O-CG 3.32Å; L732-E736 PolarHBondContact O-N 2.91Å; E736-K740 WeakPolarHBondContact O-CB 3.32Å; E736-K740 PolarHBondContact O-N 3.13Å; E736-K740 VanDerWaalsContact O-N 3.1Å
737R71.6Confident67.2Low142 Ų142102.1 Ų102.154%0.53649%0.493SS..Hα-helixtrans-63.3-44173.8-80.2-172.9-74.6-171.3-1.7112.6T733 D734 C735 K740 V741T733-R737 WeakPolarHBondContact O-CB 3.5Å; T733-R737 VanDerWaalsContact O-CG 3.28Å; T733-R737 WeakPolarHBondContact O-CG 3.47Å; T733-R737 PolarHBondContact O-N 3.3Å; T733-R737 VanDerWaalsContact O-N 3.09Å; T733-R737 PolarHBondContact O-NE 2.89Å; D734-R737 PolarHBondContact O-N 3.37Å; D734-R737 IonicContact OD1-CZ 3.96Å; D734-R737 IonicContact OD1-NE 3.81Å; D734-R737 IonicContact OD1-NH2 2.73Å; D734-R737 PolarHBondContact OD1-NH2 3.43Å; C735-R737 VanDerWaalsContact C-N 3.32Å; C735-R737 PolarHBondContact O-N 3.46Å; R737-K740 PolarHBondContact O-N 3.49Å; R737-V741 WeakPolarHBondContact O-CG2 3.29Å; R737-V741 PolarHBondContact O-N 3Å; R737-V741 VanDerWaalsContact O-N 3.08Å
738K71.6Confident66.3Low144 Ų14499.7 Ų99.763%0.62649%0.49SS*.Hα-helixtrans-61.6-48.9177.3-73.5177.3179.1-173.40112.3D734 C735 K740 V741 E742D734-K738 WeakPolarHBondContact O-CG 3.5Å; D734-K738 PolarHBondContact O-N 2.88Å; C735-K738 PolarHBondContact O-N 3.17Å; K738-K740 PolarHBondContact O-N 2.77Å; K738-V741 PolarHBondContact O-N 3.18Å; K738-E742 PolarHBondContact O-N 3.37Å
739I66.6Low65.9Low92 Ų92102 Ų10247%0.47251%0.505SS..Hα-helixtrans-59.5-35.2178.2-66.9163.3000111.3C735 K743C735-I739 VanDerWaalsContact O-CG1 3.31Å; C735-I739 WeakPolarHBondContact O-CG1 3.48Å; C735-I739 PolarHBondContact O-N 3.37Å; I739-K743 PolarHBondContact O-N 3.17Å; I739-K743 VanDerWaalsContact O-N 3.15Å
740K69.8Low65.2Low141 Ų141100.4 Ų100.461%0.61351%0.505SS*.Hα-helixtrans-69.9-44.4177.3-160174.1-176.5-178.60112.2E736 R737 K738 E742 K743 D744E736-K740 WeakPolarHBondContact O-CB 3.32Å; E736-K740 PolarHBondContact O-N 3.13Å; E736-K740 VanDerWaalsContact O-N 3.1Å; R737-K740 PolarHBondContact O-N 3.49Å; K738-K740 PolarHBondContact O-N 2.77Å; K740-E742 VanDerWaalsContact C-N 3.33Å; K740-E742 PolarHBondContact O-N 2.9Å; K740-K743 PolarHBondContact O-N 2.96Å; K740-D744 VanDerWaalsContact O-CG 3.28Å; K740-D744 PolarHBondContact O-N 2.84Å
741V70.3Confident64.6Low104 Ų104100.1 Ų100.163%0.6351%0.506SS*.Hα-helixtrans-61.6-39.6175.3172.70000111.8R737 K738 D744 G745R737-V741 WeakPolarHBondContact O-CG2 3.29Å; R737-V741 PolarHBondContact O-N 3Å; R737-V741 VanDerWaalsContact O-N 3.08Å; K738-V741 PolarHBondContact O-N 3.18Å; V741-D744 PolarHBondContact O-N 3.15Å; V741-G745 PolarHBondContact O-N 3.29Å
742E66.6Low64Low140 Ų140100.7 Ų100.765%0.65451%0.509SS*.Hα-helixtrans-64.1-39.4175.5-73.3171.8177.300112.4K738 K740 A746K738-E742 PolarHBondContact O-N 3.37Å; K740-E742 VanDerWaalsContact C-N 3.33Å; K740-E742 PolarHBondContact O-N 2.9Å; E742-A746 PolarHBondContact O-N 3.34Å
743K63.4Low63.6Low138 Ų138102.8 Ų102.860%0.652%0.523SS*.Hα-helixtrans-66.3-47.9174.1-82.3-175.6171.3-176.70113I739 K740 G745 A746 E747I739-K743 PolarHBondContact O-N 3.17Å; I739-K743 VanDerWaalsContact O-N 3.15Å; K740-K743 PolarHBondContact O-N 2.96Å; K743-G745 PolarHBondContact O-N 3.3Å; K743-A746 PolarHBondContact O-N 3.24Å; K743-A746 VanDerWaalsContact O-N 3.12Å; K743-E747 PolarHBondContact O-N 3.31Å
744D65.8Low62.8Low86 Ų86104.6 Ų104.646%0.4653%0.531SS..Hα-helixtrans-63.6-33.3179.9-63.3-20.6000110.9K740 V741 T748K740-D744 VanDerWaalsContact O-CG 3.28Å; K740-D744 PolarHBondContact O-N 2.84Å; V741-D744 PolarHBondContact O-N 3.15Å; D744-T748 WeakPolarHBondContact O-CG2 3.36Å; D744-T748 PolarHBondContact O-N 2.95Å; D744-T748 PolarHBondContact O-OG1 2.9Å
745G59.3Low62Low32 Ų32110.1 Ų110.133%0.3355%0.552SS.*Hα-helixtrans-65.6-44.2170.300000113.6V741 K743 T748 V749V741-G745 PolarHBondContact O-N 3.29Å; K743-G745 PolarHBondContact O-N 3.3Å; G745-T748 WeakPolarHBondContact CA-OG1 3.27Å; G745-T748 PolarHBondContact O-N 3.46Å; G745-T748 PolarHBondContact O-OG1 2.95Å; G745-T748 VanDerWaalsContact O-OG1 3.05Å; G745-V749 WeakPolarHBondContact O-CG2 3.43Å; G745-V749 PolarHBondContact O-N 2.98Å
746A56.7Low61.4Low56 Ų56114.6 Ų114.646%0.46357%0.566SS.*Hα-helixtrans-64.2-45.6177.200000112.3E742 K743 T748 V749 Q750E742-A746 PolarHBondContact O-N 3.34Å; K743-A746 PolarHBondContact O-N 3.24Å; K743-A746 VanDerWaalsContact O-N 3.12Å; A746-T748 VanDerWaalsContact C-N 3.31Å; A746-T748 PolarHBondContact O-N 2.95Å; A746-V749 PolarHBondContact O-N 3.39Å; A746-Q750 PolarHBondContact O-N 3.02Å
747E56.4Low60.6Low110 Ų110113.7 Ų113.751%0.51457%0.572SS.*Hα-helixtrans-65.2-31.9178.9-72.4-168.2-168.600113.2K743 K751K743-E747 PolarHBondContact O-N 3.31Å; E747-K751 WeakPolarHBondContact O-CB 3.26Å; E747-K751 PolarHBondContact O-N 3.41Å
748T58.3Low59.4Low85 Ų85113.4 Ų113.452%0.52158%0.581SS.*Hα-helixtrans-76.9-27176.945.30000113.6D744 G745 A746 K752D744-T748 WeakPolarHBondContact O-CG2 3.36Å; D744-T748 PolarHBondContact O-N 2.95Å; D744-T748 PolarHBondContact O-OG1 2.9Å; G745-T748 WeakPolarHBondContact CA-OG1 3.27Å; G745-T748 PolarHBondContact O-N 3.46Å; G745-T748 PolarHBondContact O-OG1 2.95Å; G745-T748 VanDerWaalsContact O-OG1 3.05Å; A746-T748 VanDerWaalsContact C-N 3.31Å; A746-T748 PolarHBondContact O-N 2.95Å; T748-K752 WeakPolarHBondContact O-CG 3.44Å
749V57.5Low58.1Low96 Ų96111.9 Ų111.958%0.58258%0.584SS**Hα-helixtrans-69.7-45.7168.4172.60000110.4G745 A746 K751 K752 T753G745-V749 WeakPolarHBondContact O-CG2 3.43Å; G745-V749 PolarHBondContact O-N 2.98Å; A746-V749 PolarHBondContact O-N 3.39Å; V749-K751 PolarHBondContact O-N 3.4Å; V749-K752 WeakPolarHBondContact O-CB 3.39Å; V749-K752 PolarHBondContact O-N 2.94Å; V749-T753 PolarHBondContact O-N 3.4Å
750Q54.3Low56.9Low125 Ų125113.4 Ų113.458%0.58460%0.598SS**Hα-helixtrans-66.5-37.9-176.6-153.3159.1-2.700112.6A746 K752 T753 D754A746-Q750 PolarHBondContact O-N 3.02Å; Q750-K752 PolarHBondContact O-N 3.21Å; Q750-T753 PolarHBondContact O-N 3.21Å; Q750-T753 PolarHBondContact O-OG1 3.04Å; Q750-D754 PolarHBondContact O-N 2.75Å; Q750-D754 VanDerWaalsContact O-N 3.15Å
751K57.9Low55.7Low141 Ų141113 Ų11361%0.61361%0.607SS**Hα-helixtrans-66.7-18.1171.3-80.4171.1178.3154.90114.8E747 V749E747-K751 WeakPolarHBondContact O-CB 3.26Å; E747-K751 PolarHBondContact O-N 3.41Å; V749-K751 PolarHBondContact O-N 3.4Å
752K58Low54.6Low157 Ų157115 Ų11568%0.68361%0.613SS**Hα-helixtrans-83.1-39.5173.6-77.5178.7177.21800111.6T748 V749 Q750 K755 Q756T748-K752 WeakPolarHBondContact O-CG 3.44Å; V749-K752 WeakPolarHBondContact O-CB 3.39Å; V749-K752 PolarHBondContact O-N 2.94Å; Q750-K752 PolarHBondContact O-N 3.21Å; K752-K755 PolarHBondContact O-N 3.3Å; K752-Q756 PolarHBondContact O-N 3.06Å
753T57.1Low53.9Low77 Ų77114 Ų11447%0.47262%0.62SS.*Hα-helixtrans-64.6-40.9175.245.90000112V749 Q750 K755 Q756V749-T753 PolarHBondContact O-N 3.4Å; Q750-T753 PolarHBondContact O-N 3.21Å; Q750-T753 PolarHBondContact O-OG1 3.04Å; T753-K755 PolarHBondContact O-N 3.07Å; T753-Q756 PolarHBondContact O-N 3.11Å
754D54Low53Low96 Ų96120.3 Ų120.351%0.51365%0.651SS.*Hα-helixtrans-72.9-13.2-179.1-63.3-15.3000114Q750 S757Q750-D754 PolarHBondContact O-N 2.75Å; Q750-D754 VanDerWaalsContact O-N 3.15Å; D754-S757 PolarHBondContact O-OG 3.17Å
755K54.9Low52.3Low172 Ų172122.1 Ų122.175%0.74866%0.661SS**Hα-helixtrans-92.2-18.3172.7-90.7-171.2171.4-172.70114K752 T753K752-K755 PolarHBondContact O-N 3.3Å; T753-K755 PolarHBondContact O-N 3.07Å
756Q51.9Low52Low164 Ų164126.8 Ų126.877%0.76668%0.678SS**Hα-helixtrans-86.4-18.3175.7-80.8-177-42.500113.3K752 T753K752-Q756 PolarHBondContact O-N 3.06Å; T753-Q756 PolarHBondContact O-N 3.11Å
757S50.3Low51.7Low89 Ų89130.7 Ų130.762%0.62269%0.69SS**THydrogen-bonded Turntrans-85.5-6.1179.850.90000115.1D754D754-S757 PolarHBondContact O-OG 3.17Å
758N46.6Very low51.4Low136 Ų136131.9 Ų131.973%0.72770%0.701SS**THydrogen-bonded Turntrans-114.316-173.6-90-35.9000114.6T760N758-T760 PolarHBondContact O-N 3.43Å
759T44.1Very low51Low112 Ų112134.9 Ų134.969%0.68771%0.712SS**  trans-88.4105.8174.8-48.80000110.4V761T759-V761 PolarHBondContact O-N 2.78Å
760T41.1Very low50.6Low125 Ų125137.5 Ų137.577%0.76772%0.72SS**  trans-59123.9176.3-42.40000111.4N758N758-T760 PolarHBondContact O-N 3.43Å
761V45.4Very low50.3Low132 Ų132138.4 Ų138.480%0.873%0.73SS**  trans-88.3110.1166.7178.60000107.9T759T759-V761 PolarHBondContact O-N 2.78Å
762N46.7Very low49.7Very low145 Ų145138.2 Ų138.278%0.77574%0.739SS**  trans-71.1136.6163.9-99.2-1.8000109
763P53.2Low49Very low121 Ų121136.6 Ų136.679%0.78674%0.744SS**  trans-90.5112.3167.333.1-28000111
764E42.8Very low48.3Very low270 Ų270142 Ų142100%1.26277%0.769SS**  trans-1120140-81.5-171.2147.800107.5

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