A0A077YY26_TRITR Loading...

Negative elongation factor A

AlphaFold DB , UniProt , Accession A0A077YY26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 508 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
1M59.2Low78.2Confident215 Ų21591.4 Ų91.4100%1.05946%0.464SS*.  0-61.80-80.4179.817400111E3 S4M1-E3 PolarHBondContact O-N 2.6Å; M1-S4 WeakPolarHBondContact O-CB 3.19Å; M1-S4 PolarHBondContact O-N 2.97Å
2Q62.1Low79Confident151 Ų15189.5 Ų89.571%0.70647%0.465SS*.Hα-helixtrans-49.1-50.3-176.3-165.6-179.1-44.700114.2S4 S5 E6Q2-S4 PolarHBondContact O-N 3.47Å; Q2-S5 WeakPolarHBondContact O-CB 3.38Å; Q2-S5 PolarHBondContact O-N 3.45Å; Q2-E6 WeakPolarHBondContact CG-OE1 3.31Å; Q2-E6 PolarHBondContact NE2-OE1 3Å; Q2-E6 VanDerWaalsContact NE2-OE1 3.09Å; Q2-E6 PolarHBondContact O-N 2.95Å
3E65.2Low79.5Confident122 Ų12289.4 Ų89.457%0.5746%0.455SS*.Hα-helixtrans-48.7-33.6175.5-85.5-170-108.900115.8M1 F7 R40M1-E3 PolarHBondContact O-N 2.6Å; E3-F7 PolarHBondContact O-N 3.13Å; E3-R40 PolarHBondContact O-NH1 3.22Å; E3-R40 VanDerWaalsContact O-NH1 3.14Å; E3-R40 IonicContact OE2-CZ 3.7Å; E3-R40 IonicContact OE2-NH2 3.91Å; E3-R40 PolarHBondContact OE2-NH2 3.33Å
4S73Confident79.9Confident71 Ų7183 Ų8350%0.49742%0.422SS..Hα-helixtrans-72.6-39.6179.5-53.70000111.3M1 Q2 E6 F7 E8M1-S4 WeakPolarHBondContact O-CB 3.19Å; M1-S4 PolarHBondContact O-N 2.97Å; Q2-S4 PolarHBondContact O-N 3.47Å; S4-E6 VanDerWaalsContact C-N 3.32Å; S4-E6 PolarHBondContact O-N 3.27Å; S4-F7 PolarHBondContact O-N 3.19Å; S4-E8 PolarHBondContact O-N 3.22Å; S4-E8 VanDerWaalsContact O-N 3.1Å
5S82.7Confident80.3Confident80 Ų8080.6 Ų80.656%0.55941%0.411SS*.Hα-helixtrans-64.5-38.9178-167.10000111.4Q2 E8 E9Q2-S5 WeakPolarHBondContact O-CB 3.38Å; Q2-S5 PolarHBondContact O-N 3.45Å; S5-E8 PolarHBondContact O-N 3.32Å; S5-E9 WeakPolarHBondContact O-CB 3.44Å; S5-E9 PolarHBondContact O-N 3.06Å
6E82.9Confident80Confident71 Ų7181 Ų8133%0.33242%0.423SS..Hα-helixtrans-65.3-37.9176.9-66.4160.4-173.700111.8Q2 S4 I10Q2-E6 WeakPolarHBondContact CG-OE1 3.31Å; Q2-E6 PolarHBondContact NE2-OE1 3Å; Q2-E6 VanDerWaalsContact NE2-OE1 3.09Å; Q2-E6 PolarHBondContact O-N 2.95Å; S4-E6 VanDerWaalsContact C-N 3.32Å; S4-E6 PolarHBondContact O-N 3.27Å; E6-I10 WeakPolarHBondContact O-CB 3.47Å; E6-I10 WeakPolarHBondContact O-CD1 3.37Å; E6-I10 VanDerWaalsContact O-CG1 3.24Å; E6-I10 WeakPolarHBondContact O-CG1 3.44Å; E6-I10 PolarHBondContact O-N 3.16Å
7F86.5Confident79.1Confident28 Ų2877.6 Ų77.612%0.12341%0.405CS..Hα-helixtrans-67.2-45.2175.7176.8-102.2000112.1E3 S4 E9 I10 E11 R40 R43 L44E3-F7 PolarHBondContact O-N 3.13Å; S4-F7 PolarHBondContact O-N 3.19Å; F7-E9 VanDerWaalsContact C-N 3.33Å; F7-E9 PolarHBondContact O-N 2.93Å; F7-I10 PolarHBondContact O-N 3.02Å; F7-E11 PolarHBondContact O-N 3.48Å; F7-R40 HydrophobicContact CD2-CB 3.76Å; F7-R40 HydrophobicContact CD2-CG 4.25Å; F7-R40 HydrophobicContact CE2-CB 3.68Å; F7-R43 HydrophobicContact CE2-CB 4.39Å; F7-R43 HydrophobicContact CZ-CB 3.94Å; F7-L44 HydrophobicContact CD2-CD2 4.38Å; F7-L44 HydrophobicContact CE2-CD2 3.53Å; F7-L44 HydrophobicContact CE2-CG 4.06Å; F7-L44 HydrophobicContact CZ-CD2 3.84Å; F7-L44 HydrophobicContact CZ-CG 4.4Å
8E87.3Confident78Confident134 Ų13478.4 Ų78.463%0.62641%0.406SS*.Hα-helixtrans-64.2-37.1176.4-72.1178.7-164.400111.9S4 S5 S12S4-E8 PolarHBondContact O-N 3.22Å; S4-E8 VanDerWaalsContact O-N 3.1Å; S5-E8 PolarHBondContact O-N 3.32Å; E8-S12 WeakPolarHBondContact O-CB 3.47Å; E8-S12 PolarHBondContact O-N 3.15Å
9E87.8Confident76.8Confident97 Ų9778.1 Ų78.145%0.45341%0.411SS..Hα-helixtrans-65.5-46.3173.2-175.7173.2-166.300112.1S5 F7 E11 S12 R13S5-E9 WeakPolarHBondContact O-CB 3.44Å; S5-E9 PolarHBondContact O-N 3.06Å; F7-E9 VanDerWaalsContact C-N 3.33Å; F7-E9 PolarHBondContact O-N 2.93Å; E9-E11 VanDerWaalsContact C-N 3.34Å; E9-E11 PolarHBondContact O-N 3.28Å; E9-S12 PolarHBondContact O-N 3.28Å; E9-R13 HydrophobicContact CG-CG 4.27Å; E9-R13 WeakPolarHBondContact O-CB 3.45Å; E9-R13 VanDerWaalsContact O-CG 3.31Å; E9-R13 WeakPolarHBondContact O-CG 3.3Å; E9-R13 PolarHBondContact O-N 3.31Å; E9-R13 IonicContact OE1-CZ 2.77Å; E9-R13 IonicContact OE1-NE 2.75Å; E9-R13 PolarHBondContact OE1-NE 2.83Å; E9-R13 IonicContact OE1-NH2 3.28Å; E9-R13 PolarHBondContact OE1-NH2 3.16Å
10I86.6Confident75.7Confident16 Ų1682.9 Ų82.98%0.08243%0.428CS..Hα-helixtrans-58.2-46.5177.1-73.7164.1000110.6E6 F7 R13 L14 W28 T33 S36 I37E6-I10 WeakPolarHBondContact O-CB 3.47Å; E6-I10 WeakPolarHBondContact O-CD1 3.37Å; E6-I10 VanDerWaalsContact O-CG1 3.24Å; E6-I10 WeakPolarHBondContact O-CG1 3.44Å; E6-I10 PolarHBondContact O-N 3.16Å; F7-I10 PolarHBondContact O-N 3.02Å; I10-R13 PolarHBondContact O-N 3.1Å; I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 WeakPolarHBondContact O-CB 3.47Å; I10-L14 VanDerWaalsContact O-CG 3.31Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.17Å; I10-W28 HydrophobicContact CG1-CZ3 4.32Å; I10-W28 HydrophobicContact CG2-CH2 4.37Å; I10-T33 HydrophobicContact CD1-CG2 4.44Å; I10-T33 HydrophobicContact CG1-CG2 4.43Å; I10-S36 WeakPolarHBondContact CD1-OG 3.38Å; I10-I37 HydrophobicContact CG2-CD1 4.14Å; I10-I37 HydrophobicContact CG2-CG1 3.76Å
11E87.4Confident74.4Confident20 Ų2082.3 Ų82.39%0.09343%0.431CS..Hα-helixtrans-65.9-43.4178.8-162-172.3-140.700111.7F7 E9 R13 L14 L15 L44 R45 A48F7-E11 PolarHBondContact O-N 3.48Å; E9-E11 VanDerWaalsContact C-N 3.34Å; E9-E11 PolarHBondContact O-N 3.28Å; E11-R13 PolarHBondContact O-N 2.64Å; E11-L14 PolarHBondContact O-N 3.4Å; E11-L15 HydrophobicContact CG-CD1 4.01Å; E11-L15 WeakPolarHBondContact O-CD1 3.46Å; E11-L15 VanDerWaalsContact O-CG 3.27Å; E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 3.26Å; E11-L44 HydrophobicContact CB-CD2 3.97Å; E11-L44 HydrophobicContact CG-CD2 3.94Å; E11-R45 VanDerWaalsContact OE1-CB 3.28Å; E11-R45 WeakPolarHBondContact OE1-CB 3.32Å; E11-R45 VanDerWaalsContact OE1-CG 3.27Å; E11-R45 WeakPolarHBondContact OE1-CG 3.3Å; E11-R45 IonicContact OE1-CZ 2.84Å; E11-R45 PolarHBondContact OE1-N 3.16Å; E11-R45 IonicContact OE1-NE 3.73Å; E11-R45 PolarHBondContact OE1-NE 3.26Å; E11-R45 IonicContact OE2-CZ 3.67Å; E11-R45 IonicContact OE2-NE 3.93Å; E11-R45 PolarHBondContact OE2-NE 3.42Å; E11-R45 IonicContact OE2-NH2 3.31Å; E11-R45 PolarHBondContact OE2-NH2 3.13Å; E11-A48 HydrophobicContact CG-CB 3.72Å
12S87.4Confident74.2Confident69 Ų6978.5 Ų78.548%0.48341%0.409SS..Hα-helixtrans-59.7-42.8177-175.20000112.4E8 E9 L15 S16E8-S12 WeakPolarHBondContact O-CB 3.47Å; E8-S12 PolarHBondContact O-N 3.15Å; E9-S12 PolarHBondContact O-N 3.28Å; S12-L15 PolarHBondContact O-N 3.47Å; S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 3.05Å; S12-S16 PolarHBondContact O-OG 3.37Å
13R85.7Confident74.2Confident88 Ų8875.7 Ų75.733%0.33241%0.406SS..Hα-helixtrans-64-46.8173.9-70176.2179.5-157.35.7111.7E9 I10 E11 L15 S16 D17 W28E9-R13 HydrophobicContact CG-CG 4.27Å; E9-R13 WeakPolarHBondContact O-CB 3.45Å; E9-R13 VanDerWaalsContact O-CG 3.31Å; E9-R13 WeakPolarHBondContact O-CG 3.3Å; E9-R13 PolarHBondContact O-N 3.31Å; E9-R13 IonicContact OE1-CZ 2.77Å; E9-R13 IonicContact OE1-NE 2.75Å; E9-R13 PolarHBondContact OE1-NE 2.83Å; E9-R13 IonicContact OE1-NH2 3.28Å; E9-R13 PolarHBondContact OE1-NH2 3.16Å; I10-R13 PolarHBondContact O-N 3.1Å; E11-R13 PolarHBondContact O-N 2.64Å; R13-L15 PolarHBondContact O-N 3.48Å; R13-S16 PolarHBondContact O-N 2.88Å; R13-S16 PolarHBondContact O-OG 3.12Å; R13-D17 WeakPolarHBondContact O-CB 3.35Å; R13-D17 PolarHBondContact O-N 2.93Å; R13-W28 HydrophobicContact CB-CH2 3.75Å; R13-W28 HydrophobicContact CB-CZ2 3.34Å; R13-W28 HydrophobicContact CB-CZ3 4.47Å; R13-W28 HydrophobicContact CG-CZ2 4.35Å
14L85.5Confident74.3Confident0 Ų077.5 Ų77.50%041%0.408CS..Hα-helixtrans-60.1-29.5177.3-73.8173.6000113.2I10 E11 I25 W28 L44 A48 N51 F52I10-L14 HydrophobicContact CG2-CD1 4.04Å; I10-L14 WeakPolarHBondContact O-CB 3.47Å; I10-L14 VanDerWaalsContact O-CG 3.31Å; I10-L14 WeakPolarHBondContact O-CG 3.44Å; I10-L14 PolarHBondContact O-N 3.17Å; E11-L14 PolarHBondContact O-N 3.4Å; L14-I25 HydrophobicContact CD2-CG2 4.49Å; L14-W28 HydrophobicContact CD2-CH2 4.3Å; L14-W28 HydrophobicContact CD2-CZ2 4.17Å; L14-W28 HydrophobicContact CG-CH2 4.16Å; L14-W28 HydrophobicContact CG-CZ2 4.29Å; L14-L44 HydrophobicContact CD1-CD1 4.23Å; L14-A48 HydrophobicContact CB-CB 3.96Å; L14-A48 HydrophobicContact CD1-CB 4.3Å; L14-N51 VanDerWaalsContact O-CB 3.29Å; L14-N51 WeakPolarHBondContact O-CB 3.19Å; L14-N51 PolarHBondContact O-ND2 3.2Å; L14-F52 HydrophobicContact CD1-CB 4.24Å; L14-F52 HydrophobicContact CD2-CB 3.88Å; L14-F52 HydrophobicContact CD2-CD2 4.28Å
15L85.1Confident74.3Confident47 Ų4775 Ų7525%0.24639%0.389CS..Hα-helixtrans-82.3-44.8176.8-69.3162.1000112.8E11 S12 R13 T47 A48E11-L15 HydrophobicContact CG-CD1 4.01Å; E11-L15 WeakPolarHBondContact O-CD1 3.46Å; E11-L15 VanDerWaalsContact O-CG 3.27Å; E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 3.26Å; S12-L15 PolarHBondContact O-N 3.47Å; R13-L15 PolarHBondContact O-N 3.48Å; L15-T47 HydrophobicContact CD2-CG2 3.8Å; L15-A48 HydrophobicContact CD2-CB 4.36Å; L15-A48 HydrophobicContact CG-CB 4.26Å
16S76.2Confident73.9Confident87 Ų8772.9 Ų72.961%0.60837%0.372SS*.Hα-helixtrans-75.9-27.2-173.953.90000114.1S12 R13 F18S12-S16 WeakPolarHBondContact O-CB 3.45Å; S12-S16 PolarHBondContact O-N 3.05Å; S12-S16 PolarHBondContact O-OG 3.37Å; R13-S16 PolarHBondContact O-N 2.88Å; R13-S16 PolarHBondContact O-OG 3.12Å; S16-F18 VanDerWaalsContact C-N 3.28Å; S16-F18 PolarHBondContact O-N 3.35Å
17D64.2Low73.8Confident23 Ų2374.1 Ų74.112%0.12339%0.388CS..THydrogen-bonded Turntrans-81.14.2177.2-85.9-21.6000114.3R13 S19 R24 I25 W28R13-D17 WeakPolarHBondContact O-CB 3.35Å; R13-D17 PolarHBondContact O-N 2.93Å; D17-S19 PolarHBondContact O-N 3.29Å; D17-R24 HydrophobicContact CB-CB 4.48Å; D17-R24 WeakPolarHBondContact OD1-CB 3.4Å; D17-R24 WeakPolarHBondContact OD1-CD 3.48Å; D17-R24 IonicContact OD1-NH1 3.92Å; D17-R24 PolarHBondContact OD1-NH1 2.99Å; D17-R24 VanDerWaalsContact OD2-CB 3.29Å; D17-R24 WeakPolarHBondContact OD2-CB 3.39Å; D17-I25 HydrophobicContact CB-CD1 4.16Å; D17-I25 HydrophobicContact CB-CG1 3.74Å; D17-W28 PolarHBondContact OD2-NE1 3.06Å; D17-W28 VanDerWaalsContact OD2-NE1 3.1Å
18F60.1Low73.7Confident93 Ų9374.5 Ų74.541%0.40839%0.389SS..  trans-78.570.2-174.1-156.6-110.7000114.9S16 N51 L54S16-F18 VanDerWaalsContact C-N 3.28Å; S16-F18 PolarHBondContact O-N 3.35Å; F18-N51 WeakPolarHBondContact CB-ND2 3.47Å; F18-N51 HydrophobicContact CD2-CB 3.64Å; F18-N51 WeakPolarHBondContact CD2-OD1 3.4Å; F18-N51 HydrophobicContact CE2-CB 4.11Å; F18-N51 VanDerWaalsContact CE2-OD1 3.3Å; F18-N51 WeakPolarHBondContact CE2-OD1 3.26Å; F18-N51 HydrophobicContact CG-CB 4.33Å; F18-N51 VanDerWaalsContact CG-CG 3.46Å; F18-N51 WeakPolarHBondContact CG-OD1 3.33Å; F18-L54 HydrophobicContact CE2-CD1 4Å; F18-L54 HydrophobicContact CZ-CD1 3.79Å
19S53.9Low73.7Confident72 Ų7268.7 Ų68.750%0.50336%0.362SS..SBendtrans-119.6150158.8155.20000107.8D17 S21D17-S19 PolarHBondContact O-N 3.29Å; S19-S21 VanDerWaalsContact CB-OG 3.32Å; S19-S21 WeakPolarHBondContact CB-OG 3.42Å; S19-S21 PolarHBondContact O-N 2.93Å; S19-S21 WeakPolarHBondContact OG-CB 3.47Å; S19-S21 PolarHBondContact OG-N 3.48Å; S19-S21 PolarHBondContact OG-OG 3.17Å
20F55Low73.7Confident173 Ų17366 Ų6676%0.75935%0.354SS*.SBendtrans-634.9174.1-64.1-84.9000113.9K22F20-K22 WeakPolarHBondContact O-CG 3.42Å; F20-K22 PolarHBondContact O-N 3.19Å
21S49Very low73.7Confident71 Ų7168.5 Ų68.550%0.49737%0.373SS..  trans-73.479.9169.355.30000112.5S19 S23S19-S21 VanDerWaalsContact CB-OG 3.32Å; S19-S21 WeakPolarHBondContact CB-OG 3.42Å; S19-S21 PolarHBondContact O-N 2.93Å; S19-S21 WeakPolarHBondContact OG-CB 3.47Å; S19-S21 PolarHBondContact OG-N 3.48Å; S19-S21 PolarHBondContact OG-OG 3.17Å; S21-S23 PolarHBondContact O-N 2.99Å
22K54.9Low73.8Confident135 Ų13575.2 Ų75.259%0.58740%0.404SS*.THydrogen-bonded Turntrans-40.41.5-175.7-42.7-166.8172.4-173.30121.2F20 V26 H58F20-K22 WeakPolarHBondContact O-CG 3.42Å; F20-K22 PolarHBondContact O-N 3.19Å; K22-V26 WeakPolarHBondContact O-CG2 3.47Å; K22-H58 HydrophobicContact CB-CB 4.15Å; K22-H58 VanDerWaalsContact CG-CD2 3.49Å; K22-H58 WeakPolarHBondContact CG-CD2 3.44Å
23S61.1Low74Confident92 Ų9272.9 Ų72.964%0.64339%0.388SS*.THydrogen-bonded Turntrans-99-23.5-161.4-164.30000116.3S21S21-S23 PolarHBondContact O-N 2.99Å
24R69Low74.3Confident161 Ų16168.8 Ų68.861%0.60837%0.372SS*.SBendtrans-88.5-53.2-166.8-70.7-173.8174.7-174.9-1.7114.2D17 V26 S27 W28D17-R24 HydrophobicContact CB-CB 4.48Å; D17-R24 WeakPolarHBondContact OD1-CB 3.4Å; D17-R24 WeakPolarHBondContact OD1-CD 3.48Å; D17-R24 IonicContact OD1-NH1 3.92Å; D17-R24 PolarHBondContact OD1-NH1 2.99Å; D17-R24 VanDerWaalsContact OD2-CB 3.29Å; D17-R24 WeakPolarHBondContact OD2-CB 3.39Å; R24-V26 PolarHBondContact O-N 2.99Å; R24-S27 WeakPolarHBondContact O-CA 3.38Å; R24-S27 WeakPolarHBondContact O-CB 3.47Å; R24-S27 PolarHBondContact O-N 3.31Å; R24-S27 PolarHBondContact O-OG 3.32Å; R24-W28 PolarHBondContact O-N 3.34Å
25I71.7Confident74.6Confident19 Ų1971.9 Ų71.910%0.09739%0.394CS..Hα-helixtrans-55.1-41.7179.5-55.3173.6000110.9L14 D17 S27 W28 L29 A55L14-I25 HydrophobicContact CD2-CG2 4.49Å; D17-I25 HydrophobicContact CB-CD1 4.16Å; D17-I25 HydrophobicContact CB-CG1 3.74Å; I25-S27 PolarHBondContact O-N 2.99Å; I25-W28 PolarHBondContact O-N 3.06Å; I25-L29 HydrophobicContact CG2-CD1 3.79Å; I25-L29 HydrophobicContact CG2-CG 4.08Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 3.05Å; I25-L29 VanDerWaalsContact O-N 3.11Å; I25-A55 HydrophobicContact CB-CB 4.08Å; I25-A55 HydrophobicContact CD1-CB 3.9Å; I25-A55 HydrophobicContact CG2-CB 3.65Å
26V75.3Confident74.9Confident35 Ų3570.6 Ų70.621%0.21239%0.389CS..Hα-helixtrans-56.5-34.1174-178.30000113.3K22 R24 H58 L59 P60K22-V26 WeakPolarHBondContact O-CG2 3.47Å; R24-V26 PolarHBondContact O-N 2.99Å; V26-H58 HydrophobicContact CG2-CB 4.39Å; V26-H58 WeakPolarHBondContact CG2-O 3.38Å; V26-L59 HydrophobicContact CG1-CD2 4.34Å; V26-L59 HydrophobicContact CG2-CD2 4.3Å; V26-P60 HydrophobicContact CG1-CG 4.08Å
27S79.2Confident75.6Confident96 Ų9666.5 Ų66.567%0.67136%0.36SS*.Hα-helixtrans-85.8-15-173.569.80000115R24 I25R24-S27 WeakPolarHBondContact O-CA 3.38Å; R24-S27 WeakPolarHBondContact O-CB 3.47Å; R24-S27 PolarHBondContact O-N 3.31Å; R24-S27 PolarHBondContact O-OG 3.32Å; I25-S27 PolarHBondContact O-N 2.99Å
28W85.3Confident77Confident36 Ų3666.7 Ų66.714%0.13636%0.361CS..Hα-helixtrans-116.9-11.1178.170.7-102000114.6I10 R13 L14 D17 R24 I25 S30 T33I10-W28 HydrophobicContact CG1-CZ3 4.32Å; I10-W28 HydrophobicContact CG2-CH2 4.37Å; R13-W28 HydrophobicContact CB-CH2 3.75Å; R13-W28 HydrophobicContact CB-CZ2 3.34Å; R13-W28 HydrophobicContact CB-CZ3 4.47Å; R13-W28 HydrophobicContact CG-CZ2 4.35Å; L14-W28 HydrophobicContact CD2-CH2 4.3Å; L14-W28 HydrophobicContact CD2-CZ2 4.17Å; L14-W28 HydrophobicContact CG-CH2 4.16Å; L14-W28 HydrophobicContact CG-CZ2 4.29Å; D17-W28 PolarHBondContact OD2-NE1 3.06Å; D17-W28 VanDerWaalsContact OD2-NE1 3.1Å; R24-W28 PolarHBondContact O-N 3.34Å; I25-W28 PolarHBondContact O-N 3.06Å; W28-S30 PolarHBondContact O-N 3.16Å; W28-T33 HydrophobicContact CE3-CG2 3.96Å; W28-T33 HydrophobicContact CH2-CG2 4.43Å; W28-T33 HydrophobicContact CZ3-CG2 3.47Å; W28-T33 VanDerWaalsContact CZ3-CG2 3.47Å
29L86.7Confident78.5Confident13 Ų1368.9 Ų68.97%0.06838%0.376CS..  trans-62.2125.1168.6-80.6171.3000110.6I25 T33 L34 I37 F52 L59 W67I25-L29 HydrophobicContact CG2-CD1 3.79Å; I25-L29 HydrophobicContact CG2-CG 4.08Å; I25-L29 WeakPolarHBondContact O-CG 3.37Å; I25-L29 PolarHBondContact O-N 3.05Å; I25-L29 VanDerWaalsContact O-N 3.11Å; L29-T33 HydrophobicContact CD2-CG2 3.94Å; L29-L34 HydrophobicContact CD2-CD2 4.06Å; L29-L34 HydrophobicContact CD2-CG 4.3Å; L29-I37 HydrophobicContact CD2-CD1 4.05Å; L29-F52 HydrophobicContact CD2-CE2 4.09Å; L29-L59 HydrophobicContact CD1-CD2 3.95Å; L29-W67 HydrophobicContact CB-CH2 4.09Å; L29-W67 HydrophobicContact CB-CZ3 3.99Å; L29-W67 WeakPolarHBondContact O-CH2 3.39Å
30S87.7Confident80.3Confident40 Ų4066.7 Ų66.728%0.2836%0.357SS..  trans-125.1170.1172810000110.5W28 E32 T33 L34W28-S30 PolarHBondContact O-N 3.16Å; S30-E32 PolarHBondContact O-N 3.11Å; S30-E32 PolarHBondContact OG-N 3.1Å; S30-T33 PolarHBondContact O-N 3.03Å; S30-T33 PolarHBondContact OG-N 3.14Å; S30-T33 PolarHBondContact OG-OG1 3.26Å; S30-T33 VanDerWaalsContact OG-OG1 3.05Å; S30-L34 PolarHBondContact O-N 3.34Å
31S88.3Confident82.2Confident69 Ų6958.5 Ų58.548%0.48332%0.321SS..Hα-helixtrans-60.9-33.1174.1-163.40000112.5S35S31-S35 PolarHBondContact O-N 3Å; S31-S35 VanDerWaalsContact O-N 3.09Å; S31-S35 PolarHBondContact O-OG 3.24Å; S31-S35 VanDerWaalsContact O-OG 3.08Å
32E88.6Confident84.3Confident160 Ų16060 Ų6075%0.74833%0.327SS*.Hα-helixtrans-71.1-44.7176175178.7-136.900111.2S30 L34 S35 S36S30-E32 PolarHBondContact O-N 3.11Å; S30-E32 PolarHBondContact OG-N 3.1Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3.04Å; E32-S35 PolarHBondContact O-N 3.48Å; E32-S36 PolarHBondContact O-N 3.05Å
33T90.6Very high86.2Confident21 Ų2162.6 Ų62.613%0.12933%0.333CS..Hα-helixtrans-58.1-44.2173.2-55.40000111.5I10 W28 L29 S30 S36 I37I10-T33 HydrophobicContact CD1-CG2 4.44Å; I10-T33 HydrophobicContact CG1-CG2 4.43Å; W28-T33 HydrophobicContact CE3-CG2 3.96Å; W28-T33 HydrophobicContact CH2-CG2 4.43Å; W28-T33 HydrophobicContact CZ3-CG2 3.47Å; W28-T33 VanDerWaalsContact CZ3-CG2 3.47Å; L29-T33 HydrophobicContact CD2-CG2 3.94Å; S30-T33 PolarHBondContact O-N 3.03Å; S30-T33 PolarHBondContact OG-N 3.14Å; S30-T33 PolarHBondContact OG-OG1 3.26Å; S30-T33 VanDerWaalsContact OG-OG1 3.05Å; T33-S36 PolarHBondContact O-N 3.26Å; T33-I37 HydrophobicContact CG2-CD1 3.92Å; T33-I37 HydrophobicContact CG2-CG1 4.48Å; T33-I37 VanDerWaalsContact O-CG1 3.31Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 3Å
34L92.3Very high87.7Confident1 Ų158.4 Ų58.41%0.00530%0.304CS..Hα-helixtrans-65.3-40178-76.5171.3000112.3L29 S30 E32 S36 I37 N38 F52 W67 L71 I74L29-L34 HydrophobicContact CD2-CD2 4.06Å; L29-L34 HydrophobicContact CD2-CG 4.3Å; S30-L34 PolarHBondContact O-N 3.34Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 3.04Å; L34-S36 VanDerWaalsContact C-N 3.35Å; L34-S36 PolarHBondContact O-N 2.59Å; L34-I37 PolarHBondContact O-N 3.15Å; L34-N38 VanDerWaalsContact O-CB 3.25Å; L34-N38 WeakPolarHBondContact O-CB 3.34Å; L34-N38 PolarHBondContact O-N 3.35Å; L34-F52 HydrophobicContact CD2-CE2 3.71Å; L34-F52 HydrophobicContact CD2-CZ 3.67Å; L34-W67 HydrophobicContact CD1-CB 3.64Å; L34-W67 HydrophobicContact CD1-CD2 3.42Å; L34-W67 VanDerWaalsContact CD1-CD2 3.42Å; L34-W67 HydrophobicContact CD1-CE3 3.54Å; L34-W67 HydrophobicContact CD1-CG 3.47Å; L34-W67 VanDerWaalsContact CD1-CG 3.47Å; L34-W67 HydrophobicContact CD1-CZ3 4.32Å; L34-L71 HydrophobicContact CD2-CD2 4.02Å; L34-I74 HydrophobicContact CD2-CD1 4.13Å
35S91.9Very high88.8Confident65 Ų6557.3 Ų57.346%0.45530%0.299SS..Hα-helixtrans-61.8-41.1172.4-64.30000112.4S31 E32 N38 L39S31-S35 PolarHBondContact O-N 3Å; S31-S35 VanDerWaalsContact O-N 3.09Å; S31-S35 PolarHBondContact O-OG 3.24Å; S31-S35 VanDerWaalsContact O-OG 3.08Å; E32-S35 PolarHBondContact O-N 3.48Å; S35-N38 PolarHBondContact O-N 3.5Å; S35-L39 WeakPolarHBondContact O-CB 3.44Å; S35-L39 PolarHBondContact O-N 3.18Å
36S91.1Very high89.8Confident20 Ų2059.9 Ų59.914%0.1431%0.313CS..Hα-helixtrans-66.3-40.1176.3-170.80000112.3I10 E32 T33 L34 R40I10-S36 WeakPolarHBondContact CD1-OG 3.38Å; E32-S36 PolarHBondContact O-N 3.05Å; T33-S36 PolarHBondContact O-N 3.26Å; L34-S36 VanDerWaalsContact C-N 3.35Å; L34-S36 PolarHBondContact O-N 2.59Å; S36-R40 WeakPolarHBondContact O-CB 3.46Å; S36-R40 WeakPolarHBondContact O-CG 3.43Å; S36-R40 PolarHBondContact O-N 3.4Å; S36-R40 PolarHBondContact OG-NH1 2.59Å; S36-R40 VanDerWaalsContact OG-NH1 3.12Å
37I92.4Very high90.6Very high2 Ų262.1 Ų62.11%0.0133%0.327CS..Hα-helixtrans-63.8-47172.2-71170.3000110.4I10 L29 T33 L34 R40 F41 L44 F52 I74I10-I37 HydrophobicContact CG2-CD1 4.14Å; I10-I37 HydrophobicContact CG2-CG1 3.76Å; L29-I37 HydrophobicContact CD2-CD1 4.05Å; T33-I37 HydrophobicContact CG2-CD1 3.92Å; T33-I37 HydrophobicContact CG2-CG1 4.48Å; T33-I37 VanDerWaalsContact O-CG1 3.31Å; T33-I37 WeakPolarHBondContact O-CG1 3.48Å; T33-I37 PolarHBondContact O-N 3Å; L34-I37 PolarHBondContact O-N 3.15Å; I37-R40 CarbonylContact O-C 3.55Å; I37-R40 PolarHBondContact O-N 3.09Å; I37-R40 VanDerWaalsContact O-N 3.15Å; I37-F41 HydrophobicContact CG2-CD2 4.13Å; I37-F41 VanDerWaalsContact O-CA 3.23Å; I37-F41 WeakPolarHBondContact O-CA 3.38Å; I37-F41 VanDerWaalsContact O-CB 3.32Å; I37-F41 WeakPolarHBondContact O-CB 3.35Å; I37-F41 PolarHBondContact O-N 3.23Å; I37-L44 HydrophobicContact CG2-CD1 4.44Å; I37-F52 HydrophobicContact CD1-CD2 3.79Å; I37-F52 HydrophobicContact CD1-CE2 3.73Å; I37-F52 HydrophobicContact CG2-CD2 4.41Å; I37-F52 HydrophobicContact CG2-CE1 4.43Å; I37-F52 HydrophobicContact CG2-CE2 4.22Å; I37-F52 HydrophobicContact CG2-CZ 4.23Å; I37-I74 HydrophobicContact CG2-CD1 4.08Å
38N92.9Very high91.1Very high27 Ų2757.6 Ų57.614%0.14430%0.295CS..Hα-helixtrans-57.7-52.6-178.8-16819.7000112L34 S35 R40 E73 I74 I77L34-N38 VanDerWaalsContact O-CB 3.25Å; L34-N38 WeakPolarHBondContact O-CB 3.34Å; L34-N38 PolarHBondContact O-N 3.35Å; S35-N38 PolarHBondContact O-N 3.5Å; N38-R40 PolarHBondContact O-N 3.46Å; N38-R40 VanDerWaalsContact O-N 3.14Å; N38-E73 PolarHBondContact ND2-OE2 3.23Å; N38-I74 HydrophobicContact CB-CD1 4.09Å; N38-I74 HydrophobicContact CB-CG1 3.78Å; N38-I77 WeakPolarHBondContact OD1-CD1 3.47Å
39L91.6Very high91.5Very high139 Ų13956.2 Ų56.273%0.72829%0.291SS*.Hα-helixtrans-59.9-25.4177.6-178.961.9000113.7S35S35-L39 WeakPolarHBondContact O-CB 3.44Å; S35-L39 PolarHBondContact O-N 3.18Å
40R92.1Very high91.8Very high25 Ų2557.8 Ų57.89%0.09430%0.298CS..Hα-helixtrans-122.45.4-168.9-55.1174.7-178.3160.4-3.6113.7E3 F7 S36 I37 N38 V42 R43E3-R40 PolarHBondContact O-NH1 3.22Å; E3-R40 VanDerWaalsContact O-NH1 3.14Å; E3-R40 IonicContact OE2-CZ 3.7Å; E3-R40 IonicContact OE2-NH2 3.91Å; E3-R40 PolarHBondContact OE2-NH2 3.33Å; F7-R40 HydrophobicContact CD2-CB 3.76Å; F7-R40 HydrophobicContact CD2-CG 4.25Å; F7-R40 HydrophobicContact CE2-CB 3.68Å; S36-R40 WeakPolarHBondContact O-CB 3.46Å; S36-R40 WeakPolarHBondContact O-CG 3.43Å; S36-R40 PolarHBondContact O-N 3.4Å; S36-R40 PolarHBondContact OG-NH1 2.59Å; S36-R40 VanDerWaalsContact OG-NH1 3.12Å; I37-R40 CarbonylContact O-C 3.55Å; I37-R40 PolarHBondContact O-N 3.09Å; I37-R40 VanDerWaalsContact O-N 3.15Å; N38-R40 PolarHBondContact O-N 3.46Å; N38-R40 VanDerWaalsContact O-N 3.14Å; R40-V42 PolarHBondContact O-N 3.23Å; R40-R43 WeakPolarHBondContact O-CB 3.45Å; R40-R43 PolarHBondContact O-N 3.05Å
41F94.5Very high91.8Very high2 Ų256.1 Ų56.11%0.00929%0.286CS..G310 helixtrans-55.4-47.4-168.2-177.3-91.3000112.5I37 R43 L44 K49 F52 I74 I77 A78 I86I37-F41 HydrophobicContact CG2-CD2 4.13Å; I37-F41 VanDerWaalsContact O-CA 3.23Å; I37-F41 WeakPolarHBondContact O-CA 3.38Å; I37-F41 VanDerWaalsContact O-CB 3.32Å; I37-F41 WeakPolarHBondContact O-CB 3.35Å; I37-F41 PolarHBondContact O-N 3.23Å; F41-R43 PolarHBondContact O-N 3.45Å; F41-R43 VanDerWaalsContact O-N 3.1Å; F41-L44 HydrophobicContact CD2-CD1 4.26Å; F41-L44 WeakPolarHBondContact O-CB 3.42Å; F41-L44 PolarHBondContact O-N 3.33Å; F41-K49 HydrophobicContact CD1-CD 4.43Å; F41-K49 HydrophobicContact CD1-CG 4.48Å; F41-K49 HydrophobicContact CE1-CB 4.36Å; F41-K49 HydrophobicContact CE1-CD 3.85Å; F41-K49 HydrophobicContact CE1-CG 3.94Å; F41-K49 HydrophobicContact CE2-CB 4.15Å; F41-K49 HydrophobicContact CE2-CG 4.08Å; F41-K49 HydrophobicContact CZ-CB 3.74Å; F41-K49 HydrophobicContact CZ-CD 4.1Å; F41-K49 HydrophobicContact CZ-CG 3.73Å; F41-K49 WeakPolarHBondContact O-CE 3.19Å; F41-F52 HydrophobicContact CE2-CD1 4.14Å; F41-I74 HydrophobicContact CD2-CG2 3.56Å; F41-I74 HydrophobicContact CE2-CG2 3.78Å; F41-I74 HydrophobicContact CG-CG2 4.16Å; F41-I77 HydrophobicContact CB-CG2 4.47Å; F41-I77 HydrophobicContact CD1-CG2 3.91Å; F41-A78 HydrophobicContact CE1-CB 3.61Å; F41-A78 HydrophobicContact CZ-CB 3.66Å; F41-I86 HydrophobicContact CE1-CG2 4.46Å; F41-I86 HydrophobicContact CZ-CG2 4.42Å
42V93.9Very high92Very high103 Ų10353 Ų5362%0.62426%0.263SS*.G310 helixtrans-55.8-31.1-179.6-176.60000112.2R40 K49 I77R40-V42 PolarHBondContact O-N 3.23Å; V42-K49 WeakPolarHBondContact O-CE 3.44Å; V42-K49 PolarHBondContact O-NZ 2.99Å; V42-K49 VanDerWaalsContact O-NZ 3.09Å; V42-I77 HydrophobicContact CG2-CG2 3.73Å
43R93.5Very high92.2Very high189 Ų18945.3 Ų45.371%0.71323%0.228SC*.G310 helixtrans-83.8-13.4-178.3-63.5179.459.2179.9-4.1114.5F7 R40 F41F7-R43 HydrophobicContact CE2-CB 4.39Å; F7-R43 HydrophobicContact CZ-CB 3.94Å; R40-R43 WeakPolarHBondContact O-CB 3.45Å; R40-R43 PolarHBondContact O-N 3.05Å; F41-R43 PolarHBondContact O-N 3.45Å; F41-R43 VanDerWaalsContact O-N 3.1Å
44L92.8Very high92.2Very high4 Ų447 Ų472%0.02124%0.236CC..SBendtrans-68.5144.6175.7-66.4170.2000110.2F7 E11 L14 I37 F41 A48 K49F7-L44 HydrophobicContact CD2-CD2 4.38Å; F7-L44 HydrophobicContact CE2-CD2 3.53Å; F7-L44 HydrophobicContact CE2-CG 4.06Å; F7-L44 HydrophobicContact CZ-CD2 3.84Å; F7-L44 HydrophobicContact CZ-CG 4.4Å; E11-L44 HydrophobicContact CB-CD2 3.97Å; E11-L44 HydrophobicContact CG-CD2 3.94Å; L14-L44 HydrophobicContact CD1-CD1 4.23Å; I37-L44 HydrophobicContact CG2-CD1 4.44Å; F41-L44 HydrophobicContact CD2-CD1 4.26Å; F41-L44 WeakPolarHBondContact O-CB 3.42Å; F41-L44 PolarHBondContact O-N 3.33Å; L44-A48 HydrophobicContact CB-CB 4.36Å; L44-K49 HydrophobicContact CB-CG 3.74Å; L44-K49 WeakPolarHBondContact O-CE 3.41Å
45R92.9Very high92Very high137 Ų13747.3 Ų47.352%0.51724%0.238SC..  trans-60.2146.7169.5-75.1174.6-79163-13.5110.8E11 T47 A48 K49E11-R45 VanDerWaalsContact OE1-CB 3.28Å; E11-R45 WeakPolarHBondContact OE1-CB 3.32Å; E11-R45 VanDerWaalsContact OE1-CG 3.27Å; E11-R45 WeakPolarHBondContact OE1-CG 3.3Å; E11-R45 IonicContact OE1-CZ 2.84Å; E11-R45 PolarHBondContact OE1-N 3.16Å; E11-R45 IonicContact OE1-NE 3.73Å; E11-R45 PolarHBondContact OE1-NE 3.26Å; E11-R45 IonicContact OE2-CZ 3.67Å; E11-R45 IonicContact OE2-NE 3.93Å; E11-R45 PolarHBondContact OE2-NE 3.42Å; E11-R45 IonicContact OE2-NH2 3.31Å; E11-R45 PolarHBondContact OE2-NH2 3.13Å; R45-T47 PolarHBondContact O-N 3.32Å; R45-T47 VanDerWaalsContact O-N 3.1Å; R45-A48 WeakPolarHBondContact O-CA 3.35Å; R45-A48 WeakPolarHBondContact O-CB 3.33Å; R45-A48 PolarHBondContact O-N 3.32Å; R45-K49 PolarHBondContact O-N 3.33Å
46N93.3Very high92Very high73 Ų7344.3 Ų44.339%0.3922%0.217SC..Hα-helixtrans-55.5-35.8-174.3-62.616.8000112.8K49 M50 D83 I86N46-K49 PolarHBondContact O-N 3.28Å; N46-M50 VanDerWaalsContact O-CB 3.3Å; N46-M50 WeakPolarHBondContact O-CB 3.1Å; N46-M50 PolarHBondContact O-N 3.11Å; N46-D83 WeakPolarHBondContact ND2-CB 3.45Å; N46-D83 PolarHBondContact ND2-OD2 3.25Å; N46-I86 HydrophobicContact CB-CD1 3.74Å
47T90.7Very high91.9Very high83 Ų8345.3 Ų45.351%0.50922%0.223SC..Hα-helixtrans-59.4-49.5171.1-39.10000111.9L15 R45 K49 M50 N51L15-T47 HydrophobicContact CD2-CG2 3.8Å; R45-T47 PolarHBondContact O-N 3.32Å; R45-T47 VanDerWaalsContact O-N 3.1Å; T47-K49 PolarHBondContact O-N 3.29Å; T47-M50 PolarHBondContact O-N 3.4Å; T47-N51 VanDerWaalsContact O-CB 3.31Å; T47-N51 WeakPolarHBondContact O-CB 3.45Å; T47-N51 PolarHBondContact O-N 3.29Å; T47-N51 PolarHBondContact O-ND2 2.97Å; T47-N51 PolarHBondContact O-OD1 3.45Å
48A90.7Very high91.7Very high0 Ų048.1 Ų48.10%024%0.235CC..Hα-helixtrans-64.5-39.8179.300000112.3E11 L14 L15 L44 R45 N51 F52E11-A48 HydrophobicContact CG-CB 3.72Å; L14-A48 HydrophobicContact CB-CB 3.96Å; L14-A48 HydrophobicContact CD1-CB 4.3Å; L15-A48 HydrophobicContact CD2-CB 4.36Å; L15-A48 HydrophobicContact CG-CB 4.26Å; L44-A48 HydrophobicContact CB-CB 4.36Å; R45-A48 WeakPolarHBondContact O-CA 3.35Å; R45-A48 WeakPolarHBondContact O-CB 3.33Å; R45-A48 PolarHBondContact O-N 3.32Å; A48-N51 PolarHBondContact O-N 3.06Å; A48-F52 WeakPolarHBondContact O-CB 3.29Å; A48-F52 PolarHBondContact O-N 2.79Å
49K93.2Very high91.4Very high8 Ų847.4 Ų47.44%0.03523%0.231CC..Hα-helixtrans-58.2-51.7172.1-67.7176.8174.5165.50111.7F41 V42 L44 R45 N46 T47 N51 F52 L53 D81 I86F41-K49 HydrophobicContact CD1-CD 4.43Å; F41-K49 HydrophobicContact CD1-CG 4.48Å; F41-K49 HydrophobicContact CE1-CB 4.36Å; F41-K49 HydrophobicContact CE1-CD 3.85Å; F41-K49 HydrophobicContact CE1-CG 3.94Å; F41-K49 HydrophobicContact CE2-CB 4.15Å; F41-K49 HydrophobicContact CE2-CG 4.08Å; F41-K49 HydrophobicContact CZ-CB 3.74Å; F41-K49 HydrophobicContact CZ-CD 4.1Å; F41-K49 HydrophobicContact CZ-CG 3.73Å; F41-K49 WeakPolarHBondContact O-CE 3.19Å; V42-K49 WeakPolarHBondContact O-CE 3.44Å; V42-K49 PolarHBondContact O-NZ 2.99Å; V42-K49 VanDerWaalsContact O-NZ 3.09Å; L44-K49 HydrophobicContact CB-CG 3.74Å; L44-K49 WeakPolarHBondContact O-CE 3.41Å; R45-K49 PolarHBondContact O-N 3.33Å; N46-K49 PolarHBondContact O-N 3.28Å; T47-K49 PolarHBondContact O-N 3.29Å; K49-N51 PolarHBondContact O-N 3.31Å; K49-F52 PolarHBondContact O-N 3.49Å; K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.27Å; K49-D81 VanDerWaalsContact CD-OD2 3.31Å; K49-D81 WeakPolarHBondContact CD-OD2 3.27Å; K49-D81 WeakPolarHBondContact CE-OD2 3.35Å; K49-D81 IonicContact NZ-OD1 3.91Å; K49-D81 PolarHBondContact NZ-OD1 3.03Å; K49-D81 IonicContact NZ-OD2 2.73Å; K49-D81 PolarHBondContact NZ-OD2 2.78Å; K49-I86 HydrophobicContact CB-CD1 3.67Å; K49-I86 HydrophobicContact CB-CG1 4.48Å; K49-I86 HydrophobicContact CD-CD1 3.58Å; K49-I86 HydrophobicContact CG-CD1 4.27Å
50M92.2Very high91.3Very high46 Ų4643.2 Ų43.223%0.22721%0.213CC..Hα-helixtrans-61.2-42.6178.8-176.961.7154.500111.9N46 T47 F52 L53 L54 V89N46-M50 VanDerWaalsContact O-CB 3.3Å; N46-M50 WeakPolarHBondContact O-CB 3.1Å; N46-M50 PolarHBondContact O-N 3.11Å; T47-M50 PolarHBondContact O-N 3.4Å; M50-F52 PolarHBondContact O-N 3.35Å; M50-L53 PolarHBondContact O-N 3.44Å; M50-L54 HydrophobicContact CE-CD1 4.17Å; M50-L54 HydrophobicContact CG-CD1 4.08Å; M50-L54 WeakPolarHBondContact O-CB 3.31Å; M50-L54 WeakPolarHBondContact O-CG 3.43Å; M50-L54 PolarHBondContact O-N 2.98Å; M50-L54 HydrophobicContact SD-CD1 4.19Å; M50-L54 HydrophobicContact SD-CG 4.28Å; M50-V89 HydrophobicContact CE-CG2 3.91Å; M50-V89 HydrophobicContact SD-CB 4.4Å; M50-V89 HydrophobicContact SD-CG2 3.95Å
51N89.3Confident91.2Very high5 Ų546.2 Ų46.23%0.02723%0.226CC..Hα-helixtrans-64.1-40.1178.2-63.2-2.7000111.6L14 F18 T47 A48 K49 A55L14-N51 VanDerWaalsContact O-CB 3.29Å; L14-N51 WeakPolarHBondContact O-CB 3.19Å; L14-N51 PolarHBondContact O-ND2 3.2Å; F18-N51 WeakPolarHBondContact CB-ND2 3.47Å; F18-N51 HydrophobicContact CD2-CB 3.64Å; F18-N51 WeakPolarHBondContact CD2-OD1 3.4Å; F18-N51 HydrophobicContact CE2-CB 4.11Å; F18-N51 VanDerWaalsContact CE2-OD1 3.3Å; F18-N51 WeakPolarHBondContact CE2-OD1 3.26Å; F18-N51 HydrophobicContact CG-CB 4.33Å; F18-N51 VanDerWaalsContact CG-CG 3.46Å; F18-N51 WeakPolarHBondContact CG-OD1 3.33Å; T47-N51 VanDerWaalsContact O-CB 3.31Å; T47-N51 WeakPolarHBondContact O-CB 3.45Å; T47-N51 PolarHBondContact O-N 3.29Å; T47-N51 PolarHBondContact O-ND2 2.97Å; T47-N51 PolarHBondContact O-OD1 3.45Å; A48-N51 PolarHBondContact O-N 3.06Å; K49-N51 PolarHBondContact O-N 3.31Å; N51-A55 PolarHBondContact O-N 3.08Å; N51-A55 VanDerWaalsContact O-N 3.1Å
52F91.4Very high91Very high2 Ų251.6 Ų51.61%0.00925%0.251CS..Hα-helixtrans-62.8-50.4172.4174.2-95.6000111.9L14 L29 L34 I37 F41 A48 K49 M50 L54 A55 I56 L71 I74L14-F52 HydrophobicContact CD1-CB 4.24Å; L14-F52 HydrophobicContact CD2-CB 3.88Å; L14-F52 HydrophobicContact CD2-CD2 4.28Å; L29-F52 HydrophobicContact CD2-CE2 4.09Å; L34-F52 HydrophobicContact CD2-CE2 3.71Å; L34-F52 HydrophobicContact CD2-CZ 3.67Å; I37-F52 HydrophobicContact CD1-CD2 3.79Å; I37-F52 HydrophobicContact CD1-CE2 3.73Å; I37-F52 HydrophobicContact CG2-CD2 4.41Å; I37-F52 HydrophobicContact CG2-CE1 4.43Å; I37-F52 HydrophobicContact CG2-CE2 4.22Å; I37-F52 HydrophobicContact CG2-CZ 4.23Å; F41-F52 HydrophobicContact CE2-CD1 4.14Å; A48-F52 WeakPolarHBondContact O-CB 3.29Å; A48-F52 PolarHBondContact O-N 2.79Å; K49-F52 PolarHBondContact O-N 3.49Å; M50-F52 PolarHBondContact O-N 3.35Å; F52-L54 VanDerWaalsContact C-N 3.33Å; F52-L54 PolarHBondContact O-N 2.94Å; F52-A55 WeakPolarHBondContact O-CB 3.23Å; F52-A55 PolarHBondContact O-N 3.2Å; F52-I56 HydrophobicContact CE1-CD1 4.01Å; F52-I56 HydrophobicContact CE1-CG1 4.39Å; F52-I56 PolarHBondContact O-N 3.25Å; F52-L71 HydrophobicContact CZ-CD2 3.99Å; F52-I74 HydrophobicContact CD1-CG2 4.3Å; F52-I74 HydrophobicContact CE1-CB 4.46Å; F52-I74 HydrophobicContact CE1-CD1 4.23Å; F52-I74 HydrophobicContact CE1-CG2 3.63Å; F52-I74 HydrophobicContact CZ-CD1 3.93Å; F52-I74 HydrophobicContact CZ-CG2 4.41Å
53L92.8Very high90.8Very high0 Ų047.6 Ų47.60%023%0.228CC..Hα-helixtrans-58.2-44.3179.8-71.1175.6000111.8K49 M50 A55 I56 L75 A78 I86 V89 L93K49-L53 WeakPolarHBondContact O-CG 3.45Å; K49-L53 PolarHBondContact O-N 3.27Å; M50-L53 PolarHBondContact O-N 3.44Å; L53-A55 VanDerWaalsContact C-N 3.26Å; L53-A55 PolarHBondContact O-N 3.32Å; L53-I56 HydrophobicContact CD2-CD1 4.1Å; L53-I56 WeakPolarHBondContact O-CB 3.26Å; L53-I56 WeakPolarHBondContact O-CG1 3.39Å; L53-I56 PolarHBondContact O-N 3.2Å; L53-L75 HydrophobicContact CD2-CD2 3.62Å; L53-A78 HydrophobicContact CD1-CB 4.29Å; L53-A78 HydrophobicContact CD2-CB 4.23Å; L53-I86 HydrophobicContact CD1-CG2 3.9Å; L53-V89 HydrophobicContact CB-CG1 3.9Å; L53-V89 HydrophobicContact CD1-CB 4.45Å; L53-V89 HydrophobicContact CD1-CG1 4.18Å; L53-L93 HydrophobicContact CB-CD1 4.01Å; L53-L93 HydrophobicContact CD2-CD1 4.4Å; L53-L93 VanDerWaalsContact O-CD1 3.23Å; L53-L93 WeakPolarHBondContact O-CD1 3.4Å
54L90.4Very high90.7Very high57 Ų5738.7 Ų38.730%0.29820%0.195SC..Hα-helixtrans-69-20.8176.3-67.3175.2000113.5F18 M50 F52 I56 V57F18-L54 HydrophobicContact CE2-CD1 4Å; F18-L54 HydrophobicContact CZ-CD1 3.79Å; M50-L54 HydrophobicContact CE-CD1 4.17Å; M50-L54 HydrophobicContact CG-CD1 4.08Å; M50-L54 WeakPolarHBondContact O-CB 3.31Å; M50-L54 WeakPolarHBondContact O-CG 3.43Å; M50-L54 PolarHBondContact O-N 2.98Å; M50-L54 HydrophobicContact SD-CD1 4.19Å; M50-L54 HydrophobicContact SD-CG 4.28Å; F52-L54 VanDerWaalsContact C-N 3.33Å; F52-L54 PolarHBondContact O-N 2.94Å; L54-I56 VanDerWaalsContact C-N 3.34Å; L54-V57 WeakPolarHBondContact O-CG2 3.23Å
55A89Confident90.7Very high7 Ų743.4 Ų43.46%0.05822%0.217CC..Hα-helixtrans-72.8-24.7172.100000112.9I25 N51 F52 L53 V57 H58 L59I25-A55 HydrophobicContact CB-CB 4.08Å; I25-A55 HydrophobicContact CD1-CB 3.9Å; I25-A55 HydrophobicContact CG2-CB 3.65Å; N51-A55 PolarHBondContact O-N 3.08Å; N51-A55 VanDerWaalsContact O-N 3.1Å; F52-A55 WeakPolarHBondContact O-CB 3.23Å; F52-A55 PolarHBondContact O-N 3.2Å; L53-A55 VanDerWaalsContact C-N 3.26Å; L53-A55 PolarHBondContact O-N 3.32Å; A55-V57 VanDerWaalsContact C-N 3.26Å; A55-V57 PolarHBondContact O-N 3Å; A55-H58 WeakPolarHBondContact O-CA 3.45Å; A55-H58 PolarHBondContact O-N 2.97Å; A55-L59 PolarHBondContact O-N 3.35Å
56I91.1Very high90.7Very high1 Ų144 Ų441%0.00523%0.225CC..Hα-helixtrans-58.6-38.5179.6-57.8176.8000110.9F52 L53 L54 H58 L59 L64 L71 L75 L93 Y96 V97F52-I56 HydrophobicContact CE1-CD1 4.01Å; F52-I56 HydrophobicContact CE1-CG1 4.39Å; F52-I56 PolarHBondContact O-N 3.25Å; L53-I56 HydrophobicContact CD2-CD1 4.1Å; L53-I56 WeakPolarHBondContact O-CB 3.26Å; L53-I56 WeakPolarHBondContact O-CG1 3.39Å; L53-I56 PolarHBondContact O-N 3.2Å; L54-I56 VanDerWaalsContact C-N 3.34Å; I56-H58 PolarHBondContact O-N 3.06Å; I56-H58 VanDerWaalsContact O-N 3.12Å; I56-L59 PolarHBondContact O-N 3.42Å; I56-L64 HydrophobicContact CG2-CD2 3.82Å; I56-L71 HydrophobicContact CD1-CD2 4.2Å; I56-L71 HydrophobicContact CG1-CD2 4.25Å; I56-L75 HydrophobicContact CD1-CD2 4.28Å; I56-L75 HydrophobicContact CD1-CG 4.42Å; I56-L93 HydrophobicContact CD1-CD1 4.45Å; I56-Y96 HydrophobicContact CG2-CD1 4.17Å; I56-Y96 HydrophobicContact CG2-CE1 4.35Å; I56-V97 HydrophobicContact CG2-CG2 4.28Å
57V90.1Very high90.7Very high42 Ų4241.6 Ų41.626%0.25521%0.211SC..THydrogen-bonded Turntrans-755.9176.9-61.30000114.3L54 A55 L93 Y96 L102L54-V57 WeakPolarHBondContact O-CG2 3.23Å; A55-V57 VanDerWaalsContact C-N 3.26Å; A55-V57 PolarHBondContact O-N 3Å; V57-L93 HydrophobicContact CG1-CD2 3.42Å; V57-L93 VanDerWaalsContact CG1-CD2 3.42Å; V57-Y96 HydrophobicContact CB-CE1 4.35Å; V57-Y96 HydrophobicContact CG1-CD1 4.16Å; V57-Y96 HydrophobicContact CG1-CD2 4.39Å; V57-Y96 HydrophobicContact CG1-CE1 3.94Å; V57-Y96 HydrophobicContact CG1-CE2 4.18Å; V57-Y96 HydrophobicContact CG1-CG 4.39Å; V57-L102 HydrophobicContact CG1-CD2 4.13Å
58H86.9Confident90.8Very high60 Ų6041.8 Ų41.828%0.27820%0.202SC..THydrogen-bonded Turntrans-119.3-5.6175.9-65.4-6.7000113.2K22 V26 A55 I56K22-H58 HydrophobicContact CB-CB 4.15Å; K22-H58 VanDerWaalsContact CG-CD2 3.49Å; K22-H58 WeakPolarHBondContact CG-CD2 3.44Å; V26-H58 HydrophobicContact CG2-CB 4.39Å; V26-H58 WeakPolarHBondContact CG2-O 3.38Å; A55-H58 WeakPolarHBondContact O-CA 3.45Å; A55-H58 PolarHBondContact O-N 2.97Å; I56-H58 PolarHBondContact O-N 3.06Å; I56-H58 VanDerWaalsContact O-N 3.12Å
59L88.1Confident91Very high12 Ų1246.9 Ų46.96%0.06323%0.229CC..SBendtrans-65.6143.4172.4-71.5175.1000111.6V26 L29 A55 I56 L64 W67 L71V26-L59 HydrophobicContact CG1-CD2 4.34Å; V26-L59 HydrophobicContact CG2-CD2 4.3Å; L29-L59 HydrophobicContact CD1-CD2 3.95Å; A55-L59 PolarHBondContact O-N 3.35Å; I56-L59 PolarHBondContact O-N 3.42Å; L59-L64 HydrophobicContact CB-CD1 4.2Å; L59-L64 HydrophobicContact CB-CD2 3.79Å; L59-L64 HydrophobicContact CB-CG 3.65Å; L59-L64 HydrophobicContact CD1-CD2 3.71Å; L59-L64 HydrophobicContact CD1-CG 4.38Å; L59-L64 HydrophobicContact CG-CD2 4.37Å; L59-W67 HydrophobicContact CD1-CE3 4.35Å; L59-W67 HydrophobicContact CD2-CE3 4.5Å; L59-W67 HydrophobicContact CD2-CZ3 3.87Å; L59-L71 HydrophobicContact CD1-CD1 4.06Å
60P88.6Confident91Very high51 Ų5148 Ų4833%0.33124%0.238SC..  trans-56.8156.6168.4-24.834.2000112.2V26 E62 S63 L64V26-P60 HydrophobicContact CG1-CG 4.08Å; P60-E62 WeakPolarHBondContact CB-OE2 3.42Å; P60-E62 PolarHBondContact O-N 3.19Å; P60-S63 PolarHBondContact O-N 2.79Å; P60-L64 WeakPolarHBondContact O-CG 3.45Å; P60-L64 PolarHBondContact O-N 3.25Å
61K90Very high91.2Very high88 Ų8845.8 Ų45.838%0.38323%0.227SC..Hα-helixtrans-57.6-40.6178.2-180-157.3158.3-159.70110.4L64 E65K61-L64 PolarHBondContact O-N 2.96Å; K61-E65 VanDerWaalsContact CE-CD 3.41Å; K61-E65 WeakPolarHBondContact CE-OE1 3.36Å; K61-E65 WeakPolarHBondContact CE-OE2 3.38Å; K61-E65 IonicContact NZ-OE1 2.62Å; K61-E65 IonicContact NZ-OE2 2.84Å; K61-E65 WeakPolarHBondContact O-CG 3.26Å; K61-E65 PolarHBondContact O-N 2.88Å
62E90.3Very high91.4Very high115 Ų11548 Ų4854%0.53724%0.241SC..Hα-helixtrans-64.3-47.7-177-59.866.3-146.300110.6P60 L64 E65 Q66P60-E62 WeakPolarHBondContact CB-OE2 3.42Å; P60-E62 PolarHBondContact O-N 3.19Å; E62-L64 PolarHBondContact O-N 3.12Å; E62-E65 PolarHBondContact O-N 2.72Å; E62-Q66 WeakPolarHBondContact O-CB 3.49Å; E62-Q66 PolarHBondContact O-N 3.31Å
63S90.1Very high91.6Very high20 Ų2053 Ų5314%0.1426%0.264CS..Hα-helixtrans-63.5-39.6175.2-53.10000112.3P60 E65 Q66 W67P60-S63 PolarHBondContact O-N 2.79Å; S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 PolarHBondContact O-N 3.38Å; S63-Q66 PolarHBondContact O-N 2.91Å; S63-W67 WeakPolarHBondContact O-CB 3.48Å; S63-W67 PolarHBondContact O-N 3.46Å
64L91.7Very high91.8Very high2 Ų253 Ų531%0.0126%0.264CS..Hα-helixtrans-70.7-19.1176-69.2168.9000113.6I56 L59 P60 K61 E62 L71 Y96 R100I56-L64 HydrophobicContact CG2-CD2 3.82Å; L59-L64 HydrophobicContact CB-CD1 4.2Å; L59-L64 HydrophobicContact CB-CD2 3.79Å; L59-L64 HydrophobicContact CB-CG 3.65Å; L59-L64 HydrophobicContact CD1-CD2 3.71Å; L59-L64 HydrophobicContact CD1-CG 4.38Å; L59-L64 HydrophobicContact CG-CD2 4.37Å; P60-L64 WeakPolarHBondContact O-CG 3.45Å; P60-L64 PolarHBondContact O-N 3.25Å; K61-L64 PolarHBondContact O-N 2.96Å; E62-L64 PolarHBondContact O-N 3.12Å; L64-L71 HydrophobicContact CD2-CD1 3.77Å; L64-Y96 HydrophobicContact CD1-CE1 3.87Å; L64-R100 PolarHBondContact O-NH2 3.41Å
65E92.3Very high92Very high103 Ų10350.6 Ų50.648%0.48125%0.252SS..Hα-helixtrans-86.7-41.1171.9-73.2173.6177.100110.5K61 E62 S63K61-E65 VanDerWaalsContact CE-CD 3.41Å; K61-E65 WeakPolarHBondContact CE-OE1 3.36Å; K61-E65 WeakPolarHBondContact CE-OE2 3.38Å; K61-E65 IonicContact NZ-OE1 2.62Å; K61-E65 IonicContact NZ-OE2 2.84Å; K61-E65 WeakPolarHBondContact O-CG 3.26Å; K61-E65 PolarHBondContact O-N 2.88Å; E62-E65 PolarHBondContact O-N 2.72Å; S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 PolarHBondContact O-N 3.38Å
66Q92.7Very high92.3Very high148 Ų14852.7 Ų52.769%0.69227%0.269SS*.Hα-helixtrans-66.9-36.7177.7-171-179.910.300113.6E62 S63E62-Q66 WeakPolarHBondContact O-CB 3.49Å; E62-Q66 PolarHBondContact O-N 3.31Å; S63-Q66 PolarHBondContact O-N 2.91Å
67W93.6Very high92.5Very high23 Ų2355 Ų559%0.08728%0.281CS..THydrogen-bonded Turntrans-106.717.1-175.1-54-32.5000113.6L29 L34 L59 S63 D69 S70 L71L29-W67 HydrophobicContact CB-CH2 4.09Å; L29-W67 HydrophobicContact CB-CZ3 3.99Å; L29-W67 WeakPolarHBondContact O-CH2 3.39Å; L34-W67 HydrophobicContact CD1-CB 3.64Å; L34-W67 HydrophobicContact CD1-CD2 3.42Å; L34-W67 VanDerWaalsContact CD1-CD2 3.42Å; L34-W67 HydrophobicContact CD1-CE3 3.54Å; L34-W67 HydrophobicContact CD1-CG 3.47Å; L34-W67 VanDerWaalsContact CD1-CG 3.47Å; L34-W67 HydrophobicContact CD1-CZ3 4.32Å; L59-W67 HydrophobicContact CD1-CE3 4.35Å; L59-W67 HydrophobicContact CD2-CE3 4.5Å; L59-W67 HydrophobicContact CD2-CZ3 3.87Å; S63-W67 WeakPolarHBondContact O-CB 3.48Å; S63-W67 PolarHBondContact O-N 3.46Å; W67-D69 VanDerWaalsContact C-N 3.33Å; W67-D69 PolarHBondContact O-N 3.31Å; W67-S70 PolarHBondContact O-N 2.98Å; W67-L71 HydrophobicContact CB-CD1 4.09Å; W67-L71 HydrophobicContact CB-CG 4.24Å; W67-L71 WeakPolarHBondContact O-CB 3.32Å; W67-L71 VanDerWaalsContact O-CG 3.31Å; W67-L71 WeakPolarHBondContact O-CG 3.37Å; W67-L71 PolarHBondContact O-N 3.45Å
68R93.4Very high92.8Very high88 Ų8853 Ų5333%0.33227%0.269SS..Hα-helixtrans-45.9-53.7-174-176.1-161.4172.9-84.8-12.2112.7L71 T72 V97 D98R68-L71 PolarHBondContact O-N 3.4Å; R68-T72 WeakPolarHBondContact O-CB 3.34Å; R68-T72 PolarHBondContact O-N 2.9Å; R68-T72 PolarHBondContact O-OG1 2.9Å; R68-V97 HydrophobicContact CG-CG1 3.98Å; R68-D98 IonicContact CZ-OD1 2.71Å; R68-D98 VanDerWaalsContact CZ-OD1 3.22Å; R68-D98 IonicContact CZ-OD2 3.51Å; R68-D98 IonicContact NE-OD1 3.25Å; R68-D98 PolarHBondContact NE-OD1 3.34Å; R68-D98 VanDerWaalsContact NH2-CG 3.26Å; R68-D98 IonicContact NH2-OD1 2.66Å; R68-D98 PolarHBondContact NH2-OD1 3.08Å; R68-D98 IonicContact NH2-OD2 2.79Å; R68-D98 PolarHBondContact NH2-OD2 2.66Å
69D93.9Very high93.1Very high107 Ų10751.9 Ų51.957%0.57227%0.268SS*.Hα-helixtrans-74.5-42.2-167.6-56.1-32.5000111.4W67 L71 T72 E73W67-D69 VanDerWaalsContact C-N 3.33Å; W67-D69 PolarHBondContact O-N 3.31Å; D69-L71 VanDerWaalsContact C-N 3.35Å; D69-L71 PolarHBondContact O-N 3.24Å; D69-T72 WeakPolarHBondContact O-CB 3.48Å; D69-T72 PolarHBondContact O-N 2.7Å; D69-T72 VanDerWaalsContact O-N 3.15Å; D69-E73 PolarHBondContact O-N 3.46Å
70S94Very high93.3Very high30 Ų3061.5 Ų61.521%0.2130%0.303CS..Hα-helixtrans-61.6-40.2172.9-48.70000112.4W67 T72 E73 I74W67-S70 PolarHBondContact O-N 2.98Å; S70-T72 VanDerWaalsContact C-N 3.34Å; S70-E73 PolarHBondContact O-N 3.29Å; S70-I74 WeakPolarHBondContact O-CD1 3.45Å; S70-I74 VanDerWaalsContact O-CG1 3.24Å; S70-I74 WeakPolarHBondContact O-CG1 3.5Å; S70-I74 PolarHBondContact O-N 2.93Å
71L95.1Very high93.6Very high0 Ų060.1 Ų60.10%029%0.293CS..Hα-helixtrans-67.2-36174.7-70172.2000111.9L34 F52 I56 L59 L64 W67 R68 D69 L75 V97L34-L71 HydrophobicContact CD2-CD2 4.02Å; F52-L71 HydrophobicContact CZ-CD2 3.99Å; I56-L71 HydrophobicContact CD1-CD2 4.2Å; I56-L71 HydrophobicContact CG1-CD2 4.25Å; L59-L71 HydrophobicContact CD1-CD1 4.06Å; L64-L71 HydrophobicContact CD2-CD1 3.77Å; W67-L71 HydrophobicContact CB-CD1 4.09Å; W67-L71 HydrophobicContact CB-CG 4.24Å; W67-L71 WeakPolarHBondContact O-CB 3.32Å; W67-L71 VanDerWaalsContact O-CG 3.31Å; W67-L71 WeakPolarHBondContact O-CG 3.37Å; W67-L71 PolarHBondContact O-N 3.45Å; R68-L71 PolarHBondContact O-N 3.4Å; D69-L71 VanDerWaalsContact C-N 3.35Å; D69-L71 PolarHBondContact O-N 3.24Å; L71-L75 WeakPolarHBondContact O-CB 3.42Å; L71-L75 WeakPolarHBondContact O-CD1 3.31Å; L71-L75 VanDerWaalsContact O-CG 3.23Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 2.9Å; L71-V97 HydrophobicContact CB-CG1 4.13Å; L71-V97 HydrophobicContact CB-CG2 4.21Å
72T94.8Very high93.7Very high51 Ų5160.9 Ų60.931%0.31332%0.316SS..Hα-helixtrans-67.4-40.3176.7-55.70000111.3R68 D69 S70 L75 A76R68-T72 WeakPolarHBondContact O-CB 3.34Å; R68-T72 PolarHBondContact O-N 2.9Å; R68-T72 PolarHBondContact O-OG1 2.9Å; D69-T72 WeakPolarHBondContact O-CB 3.48Å; D69-T72 PolarHBondContact O-N 2.7Å; D69-T72 VanDerWaalsContact O-N 3.15Å; S70-T72 VanDerWaalsContact C-N 3.34Å; T72-L75 PolarHBondContact O-N 2.97Å; T72-A76 WeakPolarHBondContact O-CB 3.46Å; T72-A76 PolarHBondContact O-N 2.83Å
73E95.4Very high93.9Very high108 Ų10857.4 Ų57.451%0.50530%0.301SS..Hα-helixtrans-65.6-47.3175.2-168.8174.4-160.100111.8N38 D69 S70 L75 A76 I77N38-E73 PolarHBondContact ND2-OE2 3.23Å; D69-E73 PolarHBondContact O-N 3.46Å; S70-E73 PolarHBondContact O-N 3.29Å; E73-L75 VanDerWaalsContact C-N 3.28Å; E73-L75 PolarHBondContact O-N 3.49Å; E73-A76 WeakPolarHBondContact O-CB 3.46Å; E73-A76 PolarHBondContact O-N 2.74Å; E73-I77 WeakPolarHBondContact O-CG1 3.34Å; E73-I77 PolarHBondContact O-N 3.47Å
74I96Very high93.9Very high0 Ų059.7 Ų59.70%031%0.311CS..Hα-helixtrans-59.9-39.4175.9-64.2161.2000111L34 I37 N38 F41 F52 S70 I77 A78L34-I74 HydrophobicContact CD2-CD1 4.13Å; I37-I74 HydrophobicContact CG2-CD1 4.08Å; N38-I74 HydrophobicContact CB-CD1 4.09Å; N38-I74 HydrophobicContact CB-CG1 3.78Å; F41-I74 HydrophobicContact CD2-CG2 3.56Å; F41-I74 HydrophobicContact CE2-CG2 3.78Å; F41-I74 HydrophobicContact CG-CG2 4.16Å; F52-I74 HydrophobicContact CD1-CG2 4.3Å; F52-I74 HydrophobicContact CE1-CB 4.46Å; F52-I74 HydrophobicContact CE1-CD1 4.23Å; F52-I74 HydrophobicContact CE1-CG2 3.63Å; F52-I74 HydrophobicContact CZ-CD1 3.93Å; F52-I74 HydrophobicContact CZ-CG2 4.41Å; S70-I74 WeakPolarHBondContact O-CD1 3.45Å; S70-I74 VanDerWaalsContact O-CG1 3.24Å; S70-I74 WeakPolarHBondContact O-CG1 3.5Å; S70-I74 PolarHBondContact O-N 2.93Å; I74-I77 PolarHBondContact O-N 3.27Å; I74-A78 VanDerWaalsContact O-CB 3.31Å; I74-A78 WeakPolarHBondContact O-CB 3.39Å; I74-A78 PolarHBondContact O-N 3.28Å
75L95.5Very high93.9Very high7 Ų768.2 Ų68.24%0.03734%0.344CS..Hα-helixtrans-67.2-34.6174.8-75.5168.5000113L53 I56 L71 T72 E73 I77 A78 S79 A90 L93 V97L53-L75 HydrophobicContact CD2-CD2 3.62Å; I56-L75 HydrophobicContact CD1-CD2 4.28Å; I56-L75 HydrophobicContact CD1-CG 4.42Å; L71-L75 WeakPolarHBondContact O-CB 3.42Å; L71-L75 WeakPolarHBondContact O-CD1 3.31Å; L71-L75 VanDerWaalsContact O-CG 3.23Å; L71-L75 WeakPolarHBondContact O-CG 3.27Å; L71-L75 PolarHBondContact O-N 2.9Å; T72-L75 PolarHBondContact O-N 2.97Å; E73-L75 VanDerWaalsContact C-N 3.28Å; E73-L75 PolarHBondContact O-N 3.49Å; L75-I77 VanDerWaalsContact C-N 3.34Å; L75-A78 PolarHBondContact O-N 3.21Å; L75-S79 WeakPolarHBondContact O-CB 3.4Å; L75-S79 PolarHBondContact O-N 2.79Å; L75-S79 PolarHBondContact O-OG 3.07Å; L75-A90 HydrophobicContact CD2-CB 4.19Å; L75-L93 HydrophobicContact CD1-CB 4.24Å; L75-L93 HydrophobicContact CD2-CB 3.65Å; L75-L93 HydrophobicContact CD2-CD1 4.34Å; L75-V97 HydrophobicContact CD1-CB 4.47Å; L75-V97 HydrophobicContact CD1-CG2 3.46Å; L75-V97 VanDerWaalsContact CD1-CG2 3.46Å
76A94.4Very high93.9Very high51 Ų5163.4 Ų63.442%0.42132%0.321SS..Hα-helixtrans-69.7-30.6174.500000112.8T72 E73 S79T72-A76 WeakPolarHBondContact O-CB 3.46Å; T72-A76 PolarHBondContact O-N 2.83Å; E73-A76 WeakPolarHBondContact O-CB 3.46Å; E73-A76 PolarHBondContact O-N 2.74Å; A76-S79 PolarHBondContact O-OG 3.39Å; A76-S79 VanDerWaalsContact O-OG 3.07Å
77I95.9Very high93.9Very high50 Ų5059.9 Ų59.926%0.25630%0.304SS..Hα-helixtrans-70.9-48.4169.6-63.7167.1000109.7N38 F41 V42 E73 I74 L75 S79 R80N38-I77 WeakPolarHBondContact OD1-CD1 3.47Å; F41-I77 HydrophobicContact CB-CG2 4.47Å; F41-I77 HydrophobicContact CD1-CG2 3.91Å; V42-I77 HydrophobicContact CG2-CG2 3.73Å; E73-I77 WeakPolarHBondContact O-CG1 3.34Å; E73-I77 PolarHBondContact O-N 3.47Å; I74-I77 PolarHBondContact O-N 3.27Å; L75-I77 VanDerWaalsContact C-N 3.34Å; I77-S79 VanDerWaalsContact C-N 3.32Å; I77-S79 PolarHBondContact O-N 3.37Å; I77-R80 PolarHBondContact O-N 3.34Å
78A95.9Very high93.7Very high0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-66.1-27.9-176.900000114F41 L53 I74 L75 R80 D81 I86 A90F41-A78 HydrophobicContact CE1-CB 3.61Å; F41-A78 HydrophobicContact CZ-CB 3.66Å; L53-A78 HydrophobicContact CD1-CB 4.29Å; L53-A78 HydrophobicContact CD2-CB 4.23Å; I74-A78 VanDerWaalsContact O-CB 3.31Å; I74-A78 WeakPolarHBondContact O-CB 3.39Å; I74-A78 PolarHBondContact O-N 3.28Å; L75-A78 PolarHBondContact O-N 3.21Å; A78-R80 PolarHBondContact O-N 2.86Å; A78-D81 WeakPolarHBondContact O-CB 3.39Å; A78-D81 PolarHBondContact O-N 3.16Å; A78-I86 HydrophobicContact CB-CG2 4.2Å; A78-A90 HydrophobicContact CB-CB 3.57Å
79S93Very high93.6Very high36 Ų3656.8 Ų56.825%0.25230%0.298SS..THydrogen-bonded Turntrans-68.9-6.2172.768.70000113.9L75 A76 I77 Q87L75-S79 WeakPolarHBondContact O-CB 3.4Å; L75-S79 PolarHBondContact O-N 2.79Å; L75-S79 PolarHBondContact O-OG 3.07Å; A76-S79 PolarHBondContact O-OG 3.39Å; A76-S79 VanDerWaalsContact O-OG 3.07Å; I77-S79 VanDerWaalsContact C-N 3.32Å; I77-S79 PolarHBondContact O-N 3.37Å; S79-Q87 WeakPolarHBondContact O-CG 3.26Å; S79-Q87 PolarHBondContact O-NE2 2.83Å
80R92.8Very high93.6Very high214 Ų21451.8 Ų51.881%0.80827%0.271SS*.THydrogen-bonded Turntrans-119.215.2176.2-55.8177.6-178.9177.30.8112.6I77 A78I77-R80 PolarHBondContact O-N 3.34Å; A78-R80 PolarHBondContact O-N 2.86Å
81D94.7Very high93.4Very high22 Ų2252.2 Ų52.212%0.11827%0.273CS..  trans-68.4160.1174.2-147.5-67.9000111K49 A78 D83 I86K49-D81 VanDerWaalsContact CD-OD2 3.31Å; K49-D81 WeakPolarHBondContact CD-OD2 3.27Å; K49-D81 WeakPolarHBondContact CE-OD2 3.35Å; K49-D81 IonicContact NZ-OD1 3.91Å; K49-D81 PolarHBondContact NZ-OD1 3.03Å; K49-D81 IonicContact NZ-OD2 2.73Å; K49-D81 PolarHBondContact NZ-OD2 2.78Å; A78-D81 WeakPolarHBondContact O-CB 3.39Å; A78-D81 PolarHBondContact O-N 3.16Å; D81-D83 VanDerWaalsContact C-N 3.28Å; D81-D83 PolarHBondContact O-N 2.98Å; D81-I86 HydrophobicContact CB-CB 4.09Å; D81-I86 HydrophobicContact CB-CG2 3.63Å
82A93.2Very high93.2Very high104 Ų10454.2 Ų54.286%0.8628%0.283SS*.SBendtrans-85.7-0.2-178.400000113.3
83D94Very high93.1Very high41 Ų4152 Ų5222%0.21927%0.27CS..SBendtrans-104.1116.8178.7-173.9-57.4000110.5N46 D81 W85 I86 Q87N46-D83 WeakPolarHBondContact ND2-CB 3.45Å; N46-D83 PolarHBondContact ND2-OD2 3.25Å; D81-D83 VanDerWaalsContact C-N 3.28Å; D81-D83 PolarHBondContact O-N 2.98Å; D83-W85 PolarHBondContact O-N 2.88Å; D83-W85 WeakPolarHBondContact OD1-CB 3.38Å; D83-W85 PolarHBondContact OD1-N 3.18Å; D83-I86 HydrophobicContact CB-CB 4.11Å; D83-I86 HydrophobicContact CB-CD1 3.83Å; D83-I86 HydrophobicContact CB-CG1 3.92Å; D83-I86 PolarHBondContact O-N 3.03Å; D83-I86 PolarHBondContact OD1-N 2.97Å; D83-Q87 PolarHBondContact O-N 3.17Å
84D89.5Confident92.8Very high68 Ų6850.1 Ų50.136%0.36427%0.268SS..Hα-helixtrans-49.3-34.6-179.5-72.3-9.8000112.9T88 R342D84-T88 WeakPolarHBondContact O-CB 3.32Å; D84-T88 PolarHBondContact O-N 3.42Å; D84-T88 PolarHBondContact O-OG1 3.45Å; D84-R342 IonicContact OD1-NH2 3.4Å; D84-R342 IonicContact OD2-CZ 3.55Å; D84-R342 VanDerWaalsContact OD2-CZ 3.22Å; D84-R342 IonicContact OD2-NE 3.1Å; D84-R342 PolarHBondContact OD2-NE 3.04Å; D84-R342 IonicContact OD2-NH2 3.36Å; D84-R342 PolarHBondContact OD2-NH2 3.45Å
85W91.2Very high92.4Very high182 Ų18251.5 Ų51.569%0.68928%0.278SS*.Hα-helixtrans-75.7-40.8179.2-69.697.9000112.4D83 T88 V89D83-W85 PolarHBondContact O-N 2.88Å; D83-W85 WeakPolarHBondContact OD1-CB 3.38Å; D83-W85 PolarHBondContact OD1-N 3.18Å; W85-T88 PolarHBondContact O-N 2.99Å; W85-V89 WeakPolarHBondContact O-CB 3.36Å; W85-V89 WeakPolarHBondContact O-CG2 3.24Å; W85-V89 PolarHBondContact O-N 3.01Å
86I94Very high92.3Very high2 Ų252.7 Ų52.71%0.0128%0.282CS..Hα-helixtrans-65.9-45.2179.3-62.7179.9000109.4F41 N46 K49 L53 A78 D81 D83 V89 A90F41-I86 HydrophobicContact CE1-CG2 4.46Å; F41-I86 HydrophobicContact CZ-CG2 4.42Å; N46-I86 HydrophobicContact CB-CD1 3.74Å; K49-I86 HydrophobicContact CB-CD1 3.67Å; K49-I86 HydrophobicContact CB-CG1 4.48Å; K49-I86 HydrophobicContact CD-CD1 3.58Å; K49-I86 HydrophobicContact CG-CD1 4.27Å; L53-I86 HydrophobicContact CD1-CG2 3.9Å; A78-I86 HydrophobicContact CB-CG2 4.2Å; D81-I86 HydrophobicContact CB-CB 4.09Å; D81-I86 HydrophobicContact CB-CG2 3.63Å; D83-I86 HydrophobicContact CB-CB 4.11Å; D83-I86 HydrophobicContact CB-CD1 3.83Å; D83-I86 HydrophobicContact CB-CG1 3.92Å; D83-I86 PolarHBondContact O-N 3.03Å; D83-I86 PolarHBondContact OD1-N 2.97Å; I86-V89 PolarHBondContact O-N 2.77Å; I86-A90 VanDerWaalsContact O-CB 3.22Å; I86-A90 WeakPolarHBondContact O-CB 3.38Å; I86-A90 PolarHBondContact O-N 3.17Å
87Q92.1Very high92.1Very high73 Ų7350.3 Ų50.334%0.34126%0.262SS..Hα-helixtrans-58.8-51172.8176.4171.164.300111.5S79 D83 V89 A90 T91S79-Q87 WeakPolarHBondContact O-CG 3.26Å; S79-Q87 PolarHBondContact O-NE2 2.83Å; D83-Q87 PolarHBondContact O-N 3.17Å; Q87-V89 PolarHBondContact O-N 2.99Å; Q87-A90 PolarHBondContact O-N 3.4Å; Q87-T91 PolarHBondContact O-N 2.68Å; Q87-T91 PolarHBondContact O-OG1 2.91Å
88T89.8Confident91.7Very high27 Ų2752.2 Ų52.217%0.16627%0.273CS..Hα-helixtrans-58.7-45.7-179.3-64.60000112.1D84 W85 T91 I92 L109D84-T88 WeakPolarHBondContact O-CB 3.32Å; D84-T88 PolarHBondContact O-N 3.42Å; D84-T88 PolarHBondContact O-OG1 3.45Å; W85-T88 PolarHBondContact O-N 2.99Å; T88-T91 PolarHBondContact O-N 3.22Å; T88-I92 HydrophobicContact CG2-CD1 3.94Å; T88-I92 VanDerWaalsContact O-CG1 3.31Å; T88-I92 WeakPolarHBondContact O-CG1 3.28Å; T88-I92 PolarHBondContact O-N 3.11Å; T88-L109 HydrophobicContact CG2-CD2 4.29Å
89V91.5Very high91.3Very high20 Ų2055.8 Ų55.812%0.12129%0.294CS..Hα-helixtrans-68.9-40.2179.2171.60000111.3M50 L53 W85 I86 Q87 T91 I92 L93M50-V89 HydrophobicContact CE-CG2 3.91Å; M50-V89 HydrophobicContact SD-CB 4.4Å; M50-V89 HydrophobicContact SD-CG2 3.95Å; L53-V89 HydrophobicContact CB-CG1 3.9Å; L53-V89 HydrophobicContact CD1-CB 4.45Å; L53-V89 HydrophobicContact CD1-CG1 4.18Å; W85-V89 WeakPolarHBondContact O-CB 3.36Å; W85-V89 WeakPolarHBondContact O-CG2 3.24Å; W85-V89 PolarHBondContact O-N 3.01Å; I86-V89 PolarHBondContact O-N 2.77Å; Q87-V89 PolarHBondContact O-N 2.99Å; V89-T91 PolarHBondContact O-N 3.05Å; V89-I92 PolarHBondContact O-N 3.29Å; V89-L93 HydrophobicContact CG1-CD1 3.65Å; V89-L93 HydrophobicContact CG1-CG 4.17Å; V89-L93 WeakPolarHBondContact O-CB 3.17Å; V89-L93 VanDerWaalsContact O-CG 3.24Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.06Å
90A93.1Very high91.1Very high1 Ų157.4 Ų57.41%0.00830%0.295CS..Hα-helixtrans-61.3-43.417500000112.1L75 A78 I86 Q87 I92 L93 S94L75-A90 HydrophobicContact CD2-CB 4.19Å; A78-A90 HydrophobicContact CB-CB 3.57Å; I86-A90 VanDerWaalsContact O-CB 3.22Å; I86-A90 WeakPolarHBondContact O-CB 3.38Å; I86-A90 PolarHBondContact O-N 3.17Å; Q87-A90 PolarHBondContact O-N 3.4Å; A90-I92 PolarHBondContact O-N 3.3Å; A90-L93 CarbonylContact O-C 3.56Å; A90-L93 PolarHBondContact O-N 3.48Å; A90-S94 PolarHBondContact O-N 2.96Å
91T90.1Very high90.9Very high40 Ų4056.4 Ų56.425%0.24529%0.291CS..Hα-helixtrans-62.3-42.8175.6-63.80000111.8Q87 T88 V89 L93 S94 L109Q87-T91 PolarHBondContact O-N 2.68Å; Q87-T91 PolarHBondContact O-OG1 2.91Å; T88-T91 PolarHBondContact O-N 3.22Å; V89-T91 PolarHBondContact O-N 3.05Å; T91-L93 VanDerWaalsContact C-N 3.35Å; T91-L93 PolarHBondContact O-N 3.28Å; T91-S94 WeakPolarHBondContact O-CB 3.43Å; T91-S94 PolarHBondContact O-N 2.87Å; T91-S94 PolarHBondContact O-OG 3.45Å; T91-L109 HydrophobicContact CG2-CD2 3.56Å; T91-L109 HydrophobicContact CG2-CG 4.15Å
92I89.9Confident90.6Very high41 Ų4160.5 Ų60.521%0.2131%0.313CS..Hα-helixtrans-64.9-37175.3-68.6166.3000111.9T88 V89 A90 L102 F104T88-I92 HydrophobicContact CG2-CD1 3.94Å; T88-I92 VanDerWaalsContact O-CG1 3.31Å; T88-I92 WeakPolarHBondContact O-CG1 3.28Å; T88-I92 PolarHBondContact O-N 3.11Å; V89-I92 PolarHBondContact O-N 3.29Å; A90-I92 PolarHBondContact O-N 3.3Å; I92-L102 HydrophobicContact CG2-CD2 4.21Å; I92-F104 HydrophobicContact CD1-CD2 4.34Å; I92-F104 HydrophobicContact CD1-CE2 4.49Å; I92-F104 HydrophobicContact CG1-CD2 4.45Å
93L92.3Very high89.8Confident6 Ų662.8 Ų62.83%0.03130%0.3CS..Hα-helixtrans-82.2-16.6-179.2-68.5177.3000114.4L53 I56 V57 L75 V89 A90 T91 S95 Y96 L102L53-L93 HydrophobicContact CB-CD1 4.01Å; L53-L93 HydrophobicContact CD2-CD1 4.4Å; L53-L93 VanDerWaalsContact O-CD1 3.23Å; L53-L93 WeakPolarHBondContact O-CD1 3.4Å; I56-L93 HydrophobicContact CD1-CD1 4.45Å; V57-L93 HydrophobicContact CG1-CD2 3.42Å; V57-L93 VanDerWaalsContact CG1-CD2 3.42Å; L75-L93 HydrophobicContact CD1-CB 4.24Å; L75-L93 HydrophobicContact CD2-CB 3.65Å; L75-L93 HydrophobicContact CD2-CD1 4.34Å; V89-L93 HydrophobicContact CG1-CD1 3.65Å; V89-L93 HydrophobicContact CG1-CG 4.17Å; V89-L93 WeakPolarHBondContact O-CB 3.17Å; V89-L93 VanDerWaalsContact O-CG 3.24Å; V89-L93 WeakPolarHBondContact O-CG 3.49Å; V89-L93 PolarHBondContact O-N 3.06Å; A90-L93 CarbonylContact O-C 3.56Å; A90-L93 PolarHBondContact O-N 3.48Å; T91-L93 VanDerWaalsContact C-N 3.35Å; T91-L93 PolarHBondContact O-N 3.28Å; L93-S95 VanDerWaalsContact C-N 3.26Å; L93-S95 PolarHBondContact O-N 2.99Å; L93-Y96 HydrophobicContact CD2-CD1 4.47Å; L93-Y96 HydrophobicContact CD2-CG 4.34Å; L93-Y96 VanDerWaalsContact O-CB 3.28Å; L93-Y96 WeakPolarHBondContact O-CB 3Å; L93-Y96 PolarHBondContact O-N 2.85Å; L93-L102 HydrophobicContact CD2-CD2 3.76Å
94S90.5Very high89Confident67 Ų6765.5 Ų65.547%0.46931%0.31SS..Hα-helixtrans-48.1-47.3178.865.40000112.6A90 T91A90-S94 PolarHBondContact O-N 2.96Å; T91-S94 WeakPolarHBondContact O-CB 3.43Å; T91-S94 PolarHBondContact O-N 2.87Å; T91-S94 PolarHBondContact O-OG 3.45Å
95S87.7Confident88.1Confident29 Ų2964.2 Ų64.220%0.20331%0.306CS..THydrogen-bonded Turntrans-80-14.3178.466.80000114.4L93 T99L93-S95 VanDerWaalsContact C-N 3.26Å; L93-S95 PolarHBondContact O-N 2.99Å; S95-T99 VanDerWaalsContact O-CB 3.32Å; S95-T99 WeakPolarHBondContact O-CB 2.96Å; S95-T99 WeakPolarHBondContact O-CG2 3.29Å; S95-T99 PolarHBondContact O-N 2.79Å; S95-T99 PolarHBondContact O-OG1 3.23Å
96Y92.3Very high87.1Confident33 Ų3357.1 Ų57.113%0.12928%0.283CS..Hα-helixtrans-73.8-35.1-176.2-178.7-97.7000112.5I56 V57 L64 L93 D98 R100 R101 L102I56-Y96 HydrophobicContact CG2-CD1 4.17Å; I56-Y96 HydrophobicContact CG2-CE1 4.35Å; V57-Y96 HydrophobicContact CB-CE1 4.35Å; V57-Y96 HydrophobicContact CG1-CD1 4.16Å; V57-Y96 HydrophobicContact CG1-CD2 4.39Å; V57-Y96 HydrophobicContact CG1-CE1 3.94Å; V57-Y96 HydrophobicContact CG1-CE2 4.18Å; V57-Y96 HydrophobicContact CG1-CG 4.39Å; L64-Y96 HydrophobicContact CD1-CE1 3.87Å; L93-Y96 HydrophobicContact CD2-CD1 4.47Å; L93-Y96 HydrophobicContact CD2-CG 4.34Å; L93-Y96 VanDerWaalsContact O-CB 3.28Å; L93-Y96 WeakPolarHBondContact O-CB 3Å; L93-Y96 PolarHBondContact O-N 2.85Å; Y96-D98 PolarHBondContact O-N 3.45Å; Y96-R100 WeakPolarHBondContact O-CA 3.34Å; Y96-R100 PolarHBondContact O-N 2.93Å; Y96-R100 VanDerWaalsContact O-N 3.08Å; Y96-R100 PolarHBondContact O-NH1 3.4Å; Y96-R100 VanDerWaalsContact O-NH1 3.15Å; Y96-R101 WeakPolarHBondContact CA-O 3.01Å; Y96-L102 HydrophobicContact CD2-CD2 3.68Å; Y96-L102 HydrophobicContact CD2-CG 4.18Å; Y96-L102 HydrophobicContact CE2-CD2 4.43Å; Y96-L102 HydrophobicContact CG-CD2 4.09Å
97V90.9Very high85.8Confident0 Ų062.6 Ų62.60%031%0.313CS..Hα-helixtrans-68.6-19-179.8-179.10000112.5I56 R68 L71 L75 R100I56-V97 HydrophobicContact CG2-CG2 4.28Å; R68-V97 HydrophobicContact CG-CG1 3.98Å; L71-V97 HydrophobicContact CB-CG1 4.13Å; L71-V97 HydrophobicContact CB-CG2 4.21Å; L75-V97 HydrophobicContact CD1-CB 4.47Å; L75-V97 HydrophobicContact CD1-CG2 3.46Å; L75-V97 VanDerWaalsContact CD1-CG2 3.46Å; V97-R100 PolarHBondContact O-NH1 3.33Å; V97-R100 PolarHBondContact O-NH2 2.78Å
98D87.5Confident84.5Confident91 Ų9162.6 Ų62.649%0.48733%0.332SS..Hα-helixtrans-102.9-53.3168.9-78.6-38.4000113.3R68 Y96 R100R68-D98 IonicContact CZ-OD1 2.71Å; R68-D98 VanDerWaalsContact CZ-OD1 3.22Å; R68-D98 IonicContact CZ-OD2 3.51Å; R68-D98 IonicContact NE-OD1 3.25Å; R68-D98 PolarHBondContact NE-OD1 3.34Å; R68-D98 VanDerWaalsContact NH2-CG 3.26Å; R68-D98 IonicContact NH2-OD1 2.66Å; R68-D98 PolarHBondContact NH2-OD1 3.08Å; R68-D98 IonicContact NH2-OD2 2.79Å; R68-D98 PolarHBondContact NH2-OD2 2.66Å; Y96-D98 PolarHBondContact O-N 3.45Å; D98-R100 PolarHBondContact O-N 3.28Å
99T88.1Confident83.5Confident74 Ų7462.3 Ų62.345%0.45433%0.33SS..Hα-helixtrans-82.6-12.9-167.570.40000114.6S95 R101S95-T99 VanDerWaalsContact O-CB 3.32Å; S95-T99 WeakPolarHBondContact O-CB 2.96Å; S95-T99 WeakPolarHBondContact O-CG2 3.29Å; S95-T99 PolarHBondContact O-N 2.79Å; S95-T99 PolarHBondContact O-OG1 3.23Å; T99-R101 PolarHBondContact O-N 2.93Å; T99-R101 PolarHBondContact OG1-N 3.41Å; T99-R101 PolarHBondContact OG1-O 3.17Å; T99-R101 VanDerWaalsContact OG1-O 3.12Å
100R87.8Confident82.7Confident70 Ų7064 Ų6426%0.26434%0.338SS..SBendtrans5524-168.7-54.9-75.9169.1-100-4.8113.1L64 Y96 V97 D98L64-R100 PolarHBondContact O-NH2 3.41Å; Y96-R100 WeakPolarHBondContact O-CA 3.34Å; Y96-R100 PolarHBondContact O-N 2.93Å; Y96-R100 VanDerWaalsContact O-N 3.08Å; Y96-R100 PolarHBondContact O-NH1 3.4Å; Y96-R100 VanDerWaalsContact O-NH1 3.15Å; V97-R100 PolarHBondContact O-NH1 3.33Å; V97-R100 PolarHBondContact O-NH2 2.78Å; D98-R100 PolarHBondContact O-N 3.28Å
101R88.6Confident82.2Confident193 Ų19371.8 Ų71.873%0.72837%0.374SS*.SBendtrans-132.7148178.9-63.9176.4-176.5-151.3-1.7109Y96 T99Y96-R101 WeakPolarHBondContact CA-O 3.01Å; T99-R101 PolarHBondContact O-N 2.93Å; T99-R101 PolarHBondContact OG1-N 3.41Å; T99-R101 PolarHBondContact OG1-O 3.17Å; T99-R101 VanDerWaalsContact OG1-O 3.12Å
102L88.6Confident81.8Confident108 Ų10873.6 Ų73.657%0.56538%0.38SS*.  trans-85.2113.3167.4-59.6175.1000106.9V57 I92 L93 Y96V57-L102 HydrophobicContact CG1-CD2 4.13Å; I92-L102 HydrophobicContact CG2-CD2 4.21Å; L93-L102 HydrophobicContact CD2-CD2 3.76Å; Y96-L102 HydrophobicContact CD2-CD2 3.68Å; Y96-L102 HydrophobicContact CD2-CG 4.18Å; Y96-L102 HydrophobicContact CE2-CD2 4.43Å; Y96-L102 HydrophobicContact CG-CD2 4.09Å
103Y76.3Confident81.3Confident153 Ų15373.6 Ų73.660%0.638%0.38SS*.  trans-100.7120.3170.6-171.6-98.7000108.9C105Y103-C105 HydrophobicContact CD1-CB 3.89Å; Y103-C105 HydrophobicContact CE1-CB 3.7Å; Y103-C105 PolarHBondContact O-N 3.36Å
104F76.2Confident80.8Confident97 Ų9776.4 Ų76.443%0.42539%0.393SS..  trans-92.297.3174.4-174.7-92.5000108.8I92 P106 L109 L113 V117I92-F104 HydrophobicContact CD1-CD2 4.34Å; I92-F104 HydrophobicContact CD1-CE2 4.49Å; I92-F104 HydrophobicContact CG1-CD2 4.45Å; F104-P106 HydrophobicContact CE1-CB 4.41Å; F104-L109 HydrophobicContact CD2-CD1 4.3Å; F104-L109 HydrophobicContact CE2-CD1 3.68Å; F104-L109 HydrophobicContact CZ-CD1 3.93Å; F104-L113 HydrophobicContact CE2-CD2 4.13Å; F104-L113 HydrophobicContact CZ-CD1 4.27Å; F104-L113 HydrophobicContact CZ-CD2 3.99Å; F104-L113 HydrophobicContact CZ-CG 4.12Å; F104-V117 HydrophobicContact CE1-CG2 3.91Å; F104-V117 HydrophobicContact CZ-CG2 4.19Å
105C72Confident80.7Confident41 Ų4179.1 Ų79.128%0.27740%0.396SS..  trans-93.4121.2167.8-151.30000107.9Y103 D107 L109Y103-C105 HydrophobicContact CD1-CB 3.89Å; Y103-C105 HydrophobicContact CE1-CB 3.7Å; Y103-C105 PolarHBondContact O-N 3.36Å; C105-D107 VanDerWaalsContact C-N 3.25Å; C105-L109 WeakPolarHBondContact O-CD1 3.5Å
106P69.4Low80.8Confident33 Ų3382 Ų8221%0.21441%0.408CS..  trans-69.6-29.7169.929.7-32.7000110.9F104 G108 L109 E114F104-P106 HydrophobicContact CE1-CB 4.41Å; P106-G108 PolarHBondContact O-N 3.08Å; P106-L109 PolarHBondContact O-N 3.24Å; P106-E114 HydrophobicContact CB-CG 4.16Å
107D66.7Low80.5Confident117 Ų11782.7 Ų82.763%0.62642%0.416SS*.THydrogen-bonded Turntrans-63.1115.9178.2-40.9-28.4000109.9C105C105-D107 VanDerWaalsContact C-N 3.25Å
108G65.3Low80.4Confident73 Ų7388.1 Ų88.175%0.75344%0.439SS*.THydrogen-bonded Turntrans89.45.2-176.400000115.4P106P106-G108 PolarHBondContact O-N 3.08Å
109L68.9Low80.5Confident22 Ų2289.1 Ų89.112%0.11544%0.441CS..SBendtrans-93.7167.6162-70.1173.5000110.9T88 T91 F104 C105 P106 L113T88-L109 HydrophobicContact CG2-CD2 4.29Å; T91-L109 HydrophobicContact CG2-CD2 3.56Å; T91-L109 HydrophobicContact CG2-CG 4.15Å; F104-L109 HydrophobicContact CD2-CD1 4.3Å; F104-L109 HydrophobicContact CE2-CD1 3.68Å; F104-L109 HydrophobicContact CZ-CD1 3.93Å; C105-L109 WeakPolarHBondContact O-CD1 3.5Å; P106-L109 PolarHBondContact O-N 3.24Å; L109-L113 HydrophobicContact CB-CD2 4.21Å; L109-L113 HydrophobicContact CD1-CD2 3.79Å; L109-L113 HydrophobicContact CG-CD2 4.5Å
110D74.8Confident80.5Confident54 Ų5490.3 Ų90.329%0.28944%0.444SS..  trans-52.7139.6-179.9175.884.3000113.3Q112 L113 E114 R342D110-Q112 PolarHBondContact O-N 3.21Å; D110-Q112 VanDerWaalsContact O-N 3.11Å; D110-Q112 WeakPolarHBondContact OD2-CA 3.47Å; D110-Q112 WeakPolarHBondContact OD2-CB 3.48Å; D110-Q112 PolarHBondContact OD2-N 3.25Å; D110-L113 WeakPolarHBondContact O-CA 3.35Å; D110-L113 WeakPolarHBondContact O-CB 3.48Å; D110-L113 PolarHBondContact O-N 2.85Å; D110-E114 PolarHBondContact O-N 3.43Å; D110-E114 VanDerWaalsContact O-N 3.13Å; D110-R342 VanDerWaalsContact CG-NH1 3.29Å; D110-R342 IonicContact OD1-CZ 3.79Å; D110-R342 IonicContact OD1-NH1 3.7Å; D110-R342 PolarHBondContact OD1-NH1 3.21Å; D110-R342 IonicContact OD1-NH2 2.86Å; D110-R342 PolarHBondContact OD1-NH2 2.87Å; D110-R342 IonicContact OD2-CZ 3.91Å; D110-R342 IonicContact OD2-NH1 3.03Å; D110-R342 PolarHBondContact OD2-NH1 3.46Å; D110-R342 IonicContact OD2-NH2 2.94Å
111E81.5Confident80.5Confident165 Ų16590.3 Ų90.377%0.77145%0.454SS*.Hα-helixtrans-56.5-31.9-175.2-61.8-174169.800113.2L113 E114 K115E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3.2Å; E111-E114 PolarHBondContact O-N 3.01Å; E111-K115 VanDerWaalsContact O-CB 3.23Å; E111-K115 WeakPolarHBondContact O-CB 3.15Å; E111-K115 PolarHBondContact O-N 3.45Å
112Q82.1Confident80.5Confident78 Ų7885.9 Ų85.936%0.36445%0.449SS..Hα-helixtrans-66.9-33.8177.9-165.4-176.7-32.600111.4D110 M116D110-Q112 PolarHBondContact O-N 3.21Å; D110-Q112 VanDerWaalsContact O-N 3.11Å; D110-Q112 WeakPolarHBondContact OD2-CA 3.47Å; D110-Q112 WeakPolarHBondContact OD2-CB 3.48Å; D110-Q112 PolarHBondContact OD2-N 3.25Å; Q112-M116 VanDerWaalsContact O-CB 3.3Å; Q112-M116 WeakPolarHBondContact O-CB 3.45Å; Q112-M116 PolarHBondContact O-N 3.12Å
113L79Confident80.4Confident42 Ų4282.4 Ų82.422%0.2244%0.436CS..Hα-helixtrans-77.2-41.1177.3-177.954.3000111.3F104 L109 D110 E111 K115 M116 V117F104-L113 HydrophobicContact CE2-CD2 4.13Å; F104-L113 HydrophobicContact CZ-CD1 4.27Å; F104-L113 HydrophobicContact CZ-CD2 3.99Å; F104-L113 HydrophobicContact CZ-CG 4.12Å; L109-L113 HydrophobicContact CB-CD2 4.21Å; L109-L113 HydrophobicContact CD1-CD2 3.79Å; L109-L113 HydrophobicContact CG-CD2 4.5Å; D110-L113 WeakPolarHBondContact O-CA 3.35Å; D110-L113 WeakPolarHBondContact O-CB 3.48Å; D110-L113 PolarHBondContact O-N 2.85Å; E111-L113 VanDerWaalsContact C-N 3.29Å; E111-L113 PolarHBondContact O-N 3.2Å; L113-K115 VanDerWaalsContact C-N 3.33Å; L113-K115 PolarHBondContact O-N 2.96Å; L113-M116 PolarHBondContact O-N 2.85Å; L113-V117 HydrophobicContact CD1-CG2 4.39Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.34Å; L113-V117 PolarHBondContact O-N 3.27Å
114E83.1Confident80.7Confident64 Ų6479.5 Ų79.530%0.29943%0.433SS..Hα-helixtrans-61.9-42.4174.5-159.2-125.6-17700111.2P106 D110 E111 V117 K118P106-E114 HydrophobicContact CB-CG 4.16Å; D110-E114 PolarHBondContact O-N 3.43Å; D110-E114 VanDerWaalsContact O-N 3.13Å; E111-E114 PolarHBondContact O-N 3.01Å; E114-V117 PolarHBondContact O-N 3.18Å; E114-K118 VanDerWaalsContact CD-CE 3.4Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 2.94Å; E114-K118 WeakPolarHBondContact OE1-CE 3.43Å; E114-K118 IonicContact OE1-NZ 3.45Å; E114-K118 PolarHBondContact OE1-NZ 2.94Å; E114-K118 WeakPolarHBondContact OE2-CE 3.41Å; E114-K118 IonicContact OE2-NZ 3.53Å; E114-K118 PolarHBondContact OE2-NZ 2.85Å
115K88Confident81Confident124 Ų12480.1 Ų80.154%0.53945%0.446SS..Hα-helixtrans-59.4-47.6169.6177.9177.2171.71790112.5E111 L113 V117 K118 E119E111-K115 VanDerWaalsContact O-CB 3.23Å; E111-K115 WeakPolarHBondContact O-CB 3.15Å; E111-K115 PolarHBondContact O-N 3.45Å; L113-K115 VanDerWaalsContact C-N 3.33Å; L113-K115 PolarHBondContact O-N 2.96Å; K115-V117 VanDerWaalsContact C-N 3.31Å; K115-V117 PolarHBondContact O-N 3.05Å; K115-K118 WeakPolarHBondContact O-CB 3.45Å; K115-K118 PolarHBondContact O-N 3.1Å; K115-E119 WeakPolarHBondContact CE-OE1 3.46Å; K115-E119 HydrophobicContact CG-CG 4.49Å; K115-E119 IonicContact NZ-OE1 3.2Å; K115-E119 WeakPolarHBondContact O-CG 3.14Å; K115-E119 PolarHBondContact O-N 2.84Å
116M88.7Confident81.3Confident89 Ų8982 Ų8244%0.43846%0.459SS..Hα-helixtrans-60.9-39.3179-171.7-173.3-58.500111.9Q112 L113 E119 L120Q112-M116 VanDerWaalsContact O-CB 3.3Å; Q112-M116 WeakPolarHBondContact O-CB 3.45Å; Q112-M116 PolarHBondContact O-N 3.12Å; L113-M116 PolarHBondContact O-N 2.85Å; M116-E119 PolarHBondContact O-N 2.64Å; M116-L120 HydrophobicContact CG-CD1 4.01Å; M116-L120 HydrophobicContact CG-CG 4.43Å; M116-L120 VanDerWaalsContact O-CB 3.32Å; M116-L120 WeakPolarHBondContact O-CB 3.31Å; M116-L120 VanDerWaalsContact O-CG 3.26Å; M116-L120 WeakPolarHBondContact O-CG 3.48Å; M116-L120 PolarHBondContact O-N 2.75Å
117V87.4Confident81.1Confident49 Ų4988.5 Ų88.530%0.29748%0.484SS..Hα-helixtrans-65-41.4175.7170.90000111.2F104 L113 E114 K115 S121F104-V117 HydrophobicContact CE1-CG2 3.91Å; F104-V117 HydrophobicContact CZ-CG2 4.19Å; L113-V117 HydrophobicContact CD1-CG2 4.39Å; L113-V117 VanDerWaalsContact O-CG2 3.3Å; L113-V117 WeakPolarHBondContact O-CG2 3.34Å; L113-V117 PolarHBondContact O-N 3.27Å; E114-V117 PolarHBondContact O-N 3.18Å; K115-V117 VanDerWaalsContact C-N 3.31Å; K115-V117 PolarHBondContact O-N 3.05Å; V117-S121 VanDerWaalsContact O-CB 3.3Å; V117-S121 WeakPolarHBondContact O-CB 3.29Å; V117-S121 PolarHBondContact O-N 2.85Å
118K87.4Confident80.9Confident114 Ų11486.4 Ų86.450%0.49647%0.473SS..Hα-helixtrans-62.4-47.1173.8-71.3166.9179.3171.30111.7E114 K115 S121 V122E114-K118 VanDerWaalsContact CD-CE 3.4Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 2.94Å; E114-K118 WeakPolarHBondContact OE1-CE 3.43Å; E114-K118 IonicContact OE1-NZ 3.45Å; E114-K118 PolarHBondContact OE1-NZ 2.94Å; E114-K118 WeakPolarHBondContact OE2-CE 3.41Å; E114-K118 IonicContact OE2-NZ 3.53Å; E114-K118 PolarHBondContact OE2-NZ 2.85Å; K115-K118 WeakPolarHBondContact O-CB 3.45Å; K115-K118 PolarHBondContact O-N 3.1Å; K118-S121 PolarHBondContact O-N 2.89Å; K118-V122 WeakPolarHBondContact O-CG2 3.35Å; K118-V122 PolarHBondContact O-N 2.77Å; K118-V122 VanDerWaalsContact O-N 3.1Å
119E90.7Very high80.4Confident112 Ų11291.6 Ų91.652%0.52348%0.475SS..Hα-helixtrans-62.5-43.7177.3-73.2178.9-174.900112.2K115 M116 V122 A123K115-E119 WeakPolarHBondContact CE-OE1 3.46Å; K115-E119 HydrophobicContact CG-CG 4.49Å; K115-E119 IonicContact NZ-OE1 3.2Å; K115-E119 WeakPolarHBondContact O-CG 3.14Å; K115-E119 PolarHBondContact O-N 2.84Å; M116-E119 PolarHBondContact O-N 2.64Å; E119-V122 PolarHBondContact O-N 2.91Å; E119-A123 WeakPolarHBondContact O-CB 3.36Å; E119-A123 PolarHBondContact O-N 3.1Å
120L88.9Confident79.8Confident98 Ų9892.3 Ų92.351%0.51349%0.487SS..Hα-helixtrans-64.3-41.5175.5-75.2170.4000112.1M116 V122 A123 V124M116-L120 HydrophobicContact CG-CD1 4.01Å; M116-L120 HydrophobicContact CG-CG 4.43Å; M116-L120 VanDerWaalsContact O-CB 3.32Å; M116-L120 WeakPolarHBondContact O-CB 3.31Å; M116-L120 VanDerWaalsContact O-CG 3.26Å; M116-L120 WeakPolarHBondContact O-CG 3.48Å; M116-L120 PolarHBondContact O-N 2.75Å; L120-V122 VanDerWaalsContact C-N 3.34Å; L120-V122 PolarHBondContact O-N 2.87Å; L120-A123 PolarHBondContact O-N 3Å; L120-V124 WeakPolarHBondContact O-CB 2.82Å; L120-V124 WeakPolarHBondContact O-CG2 3.49Å; L120-V124 PolarHBondContact O-N 2.82Å
121S87.2Confident79Confident70 Ų7097.9 Ų97.949%0.4951%0.509SS..Hα-helixtrans-58.8-44.7176-176.50000111.7V117 K118 T125V117-S121 VanDerWaalsContact O-CB 3.3Å; V117-S121 WeakPolarHBondContact O-CB 3.29Å; V117-S121 PolarHBondContact O-N 2.85Å; K118-S121 PolarHBondContact O-N 2.89Å; S121-T125 VanDerWaalsContact O-CB 3.25Å; S121-T125 WeakPolarHBondContact O-CB 3.23Å; S121-T125 PolarHBondContact O-N 2.87Å; S121-T125 PolarHBondContact O-OG1 2.79Å
122V88.3Confident77.8Confident101 Ų10196.7 Ų96.761%0.61250%0.503SS*.Hα-helixtrans-66-41.7173.8174.50000111.5K118 E119 L120 S126K118-V122 WeakPolarHBondContact O-CG2 3.35Å; K118-V122 PolarHBondContact O-N 2.77Å; K118-V122 VanDerWaalsContact O-N 3.1Å; E119-V122 PolarHBondContact O-N 2.91Å; L120-V122 VanDerWaalsContact C-N 3.34Å; L120-V122 PolarHBondContact O-N 2.87Å; V122-S126 VanDerWaalsContact O-CB 3.23Å; V122-S126 WeakPolarHBondContact O-CB 3.32Å; V122-S126 PolarHBondContact O-N 3.29Å; V122-S126 PolarHBondContact O-OG 3.22Å
123A86.7Confident76.7Confident35 Ų3596.8 Ų96.829%0.28950%0.5SS..Hα-helixtrans-66.6-37.1-179.600000113.3E119 L120 S126 K127E119-A123 WeakPolarHBondContact O-CB 3.36Å; E119-A123 PolarHBondContact O-N 3.1Å; L120-A123 PolarHBondContact O-N 3Å; A123-S126 PolarHBondContact O-OG 2.97Å; A123-K127 WeakPolarHBondContact O-CB 3.38Å; A123-K127 VanDerWaalsContact O-CG 3.32Å; A123-K127 WeakPolarHBondContact O-CG 3.43Å; A123-K127 PolarHBondContact O-N 3.44Å
124V83.5Confident75.8Confident91 Ų9199.9 Ų99.955%0.55252%0.517SS*.Hα-helixtrans-70-53.6173.6171.70000109.9L120 S126 K127 D128L120-V124 WeakPolarHBondContact O-CB 2.82Å; L120-V124 WeakPolarHBondContact O-CG2 3.49Å; L120-V124 PolarHBondContact O-N 2.82Å; V124-S126 VanDerWaalsContact C-N 3.28Å; V124-S126 PolarHBondContact O-N 2.95Å; V124-K127 PolarHBondContact O-N 2.76Å; V124-K127 VanDerWaalsContact O-N 3.17Å; V124-D128 PolarHBondContact O-N 3.04Å
125T81.4Confident74.7Confident111 Ų111104.1 Ų104.168%0.68154%0.54SS*.Hα-helixtrans-61.3-33.9-176.5-54.50000113S121S121-T125 VanDerWaalsContact O-CB 3.25Å; S121-T125 WeakPolarHBondContact O-CB 3.23Å; S121-T125 PolarHBondContact O-N 2.87Å; S121-T125 PolarHBondContact O-OG1 2.79Å
126S77.7Confident73.1Confident79 Ų7999.9 Ų99.955%0.55253%0.525SS*.Hα-helixtrans-77.8-29.9178.257.50000114.1V122 A123 V124V122-S126 VanDerWaalsContact O-CB 3.23Å; V122-S126 WeakPolarHBondContact O-CB 3.32Å; V122-S126 PolarHBondContact O-N 3.29Å; V122-S126 PolarHBondContact O-OG 3.22Å; A123-S126 PolarHBondContact O-OG 2.97Å; V124-S126 VanDerWaalsContact C-N 3.28Å; V124-S126 PolarHBondContact O-N 2.95Å
127K66.9Low71.5Confident170 Ų17097.9 Ų97.974%0.73952%0.515SS*.Hα-helixtrans-92.9-40.2-177.2-70.3177.4-178.5173.50113.2A123 V124 K129A123-K127 WeakPolarHBondContact O-CB 3.38Å; A123-K127 VanDerWaalsContact O-CG 3.32Å; A123-K127 WeakPolarHBondContact O-CG 3.43Å; A123-K127 PolarHBondContact O-N 3.44Å; V124-K127 PolarHBondContact O-N 2.76Å; V124-K127 VanDerWaalsContact O-N 3.17Å; K127-K129 PolarHBondContact O-N 3.28Å
128D60.7Low70.2Confident73 Ų73104.4 Ų104.439%0.3954%0.535SS..  trans-89.473.4-167.6-161.512.3000113.8V124 G130 K131 H132V124-D128 PolarHBondContact O-N 3.04Å; D128-G130 PolarHBondContact O-N 2.69Å; D128-G130 PolarHBondContact OD1-N 3.19Å; D128-K131 PolarHBondContact OD1-N 2.91Å; D128-H132 PolarHBondContact OD1-N 3.33Å
129K55.9Low69.4Low183 Ų183102.6 Ų102.680%0.79653%0.526SS*.SBendtrans-75.360.1160.7-67.6-168.1176-173.70110.9K127K127-K129 PolarHBondContact O-N 3.28Å
130G55.7Low68.6Low37 Ų3797.9 Ų97.938%0.38151%0.505SS..SBendtrans6251.1171.800000114.6D128D128-G130 PolarHBondContact O-N 2.69Å; D128-G130 PolarHBondContact OD1-N 3.19Å
131K59Low68.1Low171 Ų17197 Ų9774%0.74350%0.503SS*.  trans-121.6-19-174.7-74.5-176.3-178.4175.70115.6D128D128-K131 PolarHBondContact OD1-N 2.91Å
132H55.8Low67.4Low140 Ų14099.4 Ų99.465%0.64851%0.507SS*.  trans-104.9106.6175.3-137.1-97.3000111.7D128 D134D128-H132 PolarHBondContact OD1-N 3.33Å; H132-D134 IonicContact CE1-OD1 2.91Å; H132-D134 IonicContact CG-OD1 2.78Å; H132-D134 IonicContact ND1-OD1 3.86Å; H132-D134 PolarHBondContact ND1-OD1 3.5Å; H132-D134 PolarHBondContact O-N 2.84Å
133W59.3Low67Low79 Ų79100.2 Ų100.230%0.29951%0.508SS..  trans-8990.5175.7-56.1112.6000110.1I135 E137 Y149W133-I135 PolarHBondContact O-N 3.21Å; W133-E137 HydrophobicContact CB-CG 3.64Å; W133-E137 VanDerWaalsContact CD1-CD 3.47Å; W133-E137 HydrophobicContact CD2-CG 4.49Å; W133-E137 HydrophobicContact CG-CG 3.89Å; W133-Y149 HydrophobicContact CE3-CD1 4.44Å; W133-Y149 AromaticContact CE3-CD2 3.73Å; W133-Y149 HydrophobicContact CE3-CD2 3.73Å; W133-Y149 AromaticContact CE3-CE2 3.91Å; W133-Y149 HydrophobicContact CE3-CE2 3.91Å; W133-Y149 HydrophobicContact CE3-CG 4.01Å; W133-Y149 HydrophobicContact CZ3-CD1 4.41Å; W133-Y149 AromaticContact CZ3-CD2 3.55Å; W133-Y149 HydrophobicContact CZ3-CD2 3.55Å; W133-Y149 HydrophobicContact CZ3-CE2 4.22Å; W133-Y149 AromaticContact CZ3-CG 3.66Å; W133-Y149 HydrophobicContact CZ3-CG 3.66Å
134D59.7Low66.6Low108 Ų108100.7 Ų100.758%0.57851%0.507SS*.  trans-67.998.4176.2-73.2-6.8000110.5H132 Y149H132-D134 IonicContact CE1-OD1 2.91Å; H132-D134 IonicContact CG-OD1 2.78Å; H132-D134 IonicContact ND1-OD1 3.86Å; H132-D134 PolarHBondContact ND1-OD1 3.5Å; H132-D134 PolarHBondContact O-N 2.84Å; D134-Y149 PolarHBondContact O-OH 3.15Å
135I60.1Low66Low153 Ų15399.8 Ų99.879%0.78549%0.494SS*.SBendtrans26.8114.8157.2-50.6177.9000115.8W133W133-I135 PolarHBondContact O-N 3.21Å
136P55Low65.6Low35 Ų3599.6 Ų99.623%0.22748%0.481CS..  cis-135.7100.315.431.8-8.2000114.4Y138 Y139P136-Y138 PolarHBondContact O-N 3.45Å; P136-Y139 HydrophobicContact CB-CD2 3.55Å; P136-Y139 HydrophobicContact CB-CE2 4.33Å; P136-Y139 HydrophobicContact CB-CG 4.16Å; P136-Y139 HydrophobicContact CG-CD2 3.72Å; P136-Y139 HydrophobicContact CG-CG 4.38Å; P136-Y139 PolarHBondContact O-N 2.59Å; P136-Y139 VanDerWaalsContact O-N 3.11Å
137E55.1Low65.4Low47 Ų47100.2 Ų100.222%0.2249%0.485CS..THydrogen-bonded Turntrans-51.4-34.8175-79.3-157.6110.700114.5W133 Y139 R145W133-E137 HydrophobicContact CB-CG 3.64Å; W133-E137 VanDerWaalsContact CD1-CD 3.47Å; W133-E137 HydrophobicContact CD2-CG 4.49Å; W133-E137 HydrophobicContact CG-CG 3.89Å; E137-Y139 PolarHBondContact O-N 3.22Å; E137-Y139 VanDerWaalsContact O-N 3.13Å; E137-R145 PolarHBondContact O-NH2 2.78Å; E137-R145 VanDerWaalsContact OE1-CD 3.23Å; E137-R145 WeakPolarHBondContact OE1-CD 3.23Å; E137-R145 IonicContact OE1-CZ 2.74Å; E137-R145 IonicContact OE1-NE 2.94Å; E137-R145 PolarHBondContact OE1-NE 3.49Å; E137-R145 IonicContact OE1-NH1 2.66Å; E137-R145 PolarHBondContact OE1-NH1 2.91Å
138Y59.2Low65.6Low186 Ų18695 Ų9573%0.72946%0.463SS*.THydrogen-bonded Turntrans-61.1-17.6-177.6-59.9-78.8000114.7P136P136-Y138 PolarHBondContact O-N 3.45Å
139Y70.4Confident65.9Low76 Ų7695.2 Ų95.230%0.29846%0.459SS..THydrogen-bonded Turntrans-116.2-24.8-165.3-72.3-24.2000113.4P136 E137 V371 A372 R373P136-Y139 HydrophobicContact CB-CD2 3.55Å; P136-Y139 HydrophobicContact CB-CE2 4.33Å; P136-Y139 HydrophobicContact CB-CG 4.16Å; P136-Y139 HydrophobicContact CG-CD2 3.72Å; P136-Y139 HydrophobicContact CG-CG 4.38Å; P136-Y139 PolarHBondContact O-N 2.59Å; P136-Y139 VanDerWaalsContact O-N 3.11Å; E137-Y139 PolarHBondContact O-N 3.22Å; E137-Y139 VanDerWaalsContact O-N 3.13Å; Y139-V371 HydrophobicContact CD1-CG1 4.16Å; Y139-V371 HydrophobicContact CD2-CB 4.29Å; Y139-V371 HydrophobicContact CD2-CG1 3.45Å; Y139-V371 VanDerWaalsContact CD2-CG1 3.45Å; Y139-V371 HydrophobicContact CD2-CG2 4.06Å; Y139-V371 HydrophobicContact CE1-CG1 4.49Å; Y139-V371 HydrophobicContact CE2-CG1 3.86Å; Y139-V371 HydrophobicContact CG-CB 4.29Å; Y139-V371 HydrophobicContact CG-CG1 3.63Å; Y139-V371 HydrophobicContact CG-CG2 4.3Å; Y139-A372 VanDerWaalsContact CD1-O 3.31Å; Y139-A372 WeakPolarHBondContact CD1-O 3.1Å; Y139-A372 PolarHBondContact O-N 3.36Å; Y139-R373 HydrophobicContact CE1-CG 3.66Å; Y139-R373 WeakPolarHBondContact OH-CG 3.46Å
140V73.5Confident66Low13 Ų1394 Ų948%0.07946%0.456CS..SBendtrans-92.3150.9-178.9-52.60000111.8V144 R145 M148 I369V140-V144 HydrophobicContact CB-CB 4.39Å; V140-V144 HydrophobicContact CB-CG1 4.13Å; V140-V144 HydrophobicContact CG1-CG1 4.5Å; V140-R145 HydrophobicContact CG2-CB 4.16Å; V140-M148 HydrophobicContact CB-CE 4.42Å; V140-M148 HydrophobicContact CG1-CE 4.1Å; V140-M148 HydrophobicContact CG2-CE 4.15Å; V140-I369 HydrophobicContact CB-CG2 4.34Å; V140-I369 HydrophobicContact CG1-CG2 3.4Å; V140-I369 VanDerWaalsContact CG1-CG2 3.4Å
141T78.7Confident66.1Low78 Ų7893.1 Ų93.148%0.47945%0.445SS..  trans-72.7157.5173.371.40000111.1N143 V144 R145T141-N143 PolarHBondContact O-N 3.34Å; T141-V144 PolarHBondContact O-N 3Å; T141-V144 VanDerWaalsContact O-N 3.14Å; T141-V144 WeakPolarHBondContact OG1-CG2 3.35Å; T141-V144 PolarHBondContact OG1-N 2.95Å; T141-R145 PolarHBondContact O-N 2.81Å
142Q73.5Confident65.7Low122 Ų12290.8 Ų90.857%0.5744%0.441SS*.Hα-helixtrans-58.4-35.4177.2-168.2-177.88.900112.1R145 R146Q142-R145 WeakPolarHBondContact O-CB 3.39Å; Q142-R145 PolarHBondContact O-N 2.95Å; Q142-R146 VanDerWaalsContact NE2-NH2 3.19Å; Q142-R146 WeakPolarHBondContact O-CG 3.47Å; Q142-R146 PolarHBondContact O-N 2.84Å
143N80.1Confident65.5Low118 Ų11891.3 Ų91.363%0.63145%0.449SS*.Hα-helixtrans-65.2-45176.5-65.526.8000111.4T141 R145 R146 S147T141-N143 PolarHBondContact O-N 3.34Å; N143-R145 VanDerWaalsContact C-N 3.31Å; N143-R145 PolarHBondContact O-N 3.17Å; N143-R146 PolarHBondContact O-N 3.24Å; N143-S147 WeakPolarHBondContact O-CB 3.49Å; N143-S147 PolarHBondContact O-N 3.44Å
144V78.3Confident65.1Low44 Ų4490.8 Ų90.827%0.26745%0.454SS..Hα-helixtrans-63.1-40175.2173.20000110.5V140 T141 R146 S147 M148 I369V140-V144 HydrophobicContact CB-CB 4.39Å; V140-V144 HydrophobicContact CB-CG1 4.13Å; V140-V144 HydrophobicContact CG1-CG1 4.5Å; T141-V144 PolarHBondContact O-N 3Å; T141-V144 VanDerWaalsContact O-N 3.14Å; T141-V144 WeakPolarHBondContact OG1-CG2 3.35Å; T141-V144 PolarHBondContact OG1-N 2.95Å; V144-R146 PolarHBondContact O-N 2.76Å; V144-S147 PolarHBondContact O-N 2.96Å; V144-M148 HydrophobicContact CG1-CE 4.1Å; V144-M148 HydrophobicContact CG1-CG 4.07Å; V144-M148 HydrophobicContact CG1-SD 3.95Å; V144-M148 WeakPolarHBondContact O-CG 3.25Å; V144-M148 PolarHBondContact O-N 3.1Å; V144-I369 HydrophobicContact CG1-CB 4.45Å; V144-I369 HydrophobicContact CG1-CG1 3.82Å; V144-I369 HydrophobicContact CG1-CG2 3.93Å
145R70.6Confident64.3Low72 Ų7291.3 Ų91.327%0.27246%0.457SS..Hα-helixtrans-58.9-47.3174.5-159.2-178.5-57.1172.23.8112.2E137 V140 T141 Q142 N143 S147 Y149E137-R145 PolarHBondContact O-NH2 2.78Å; E137-R145 VanDerWaalsContact OE1-CD 3.23Å; E137-R145 WeakPolarHBondContact OE1-CD 3.23Å; E137-R145 IonicContact OE1-CZ 2.74Å; E137-R145 IonicContact OE1-NE 2.94Å; E137-R145 PolarHBondContact OE1-NE 3.49Å; E137-R145 IonicContact OE1-NH1 2.66Å; E137-R145 PolarHBondContact OE1-NH1 2.91Å; V140-R145 HydrophobicContact CG2-CB 4.16Å; T141-R145 PolarHBondContact O-N 2.81Å; Q142-R145 WeakPolarHBondContact O-CB 3.39Å; Q142-R145 PolarHBondContact O-N 2.95Å; N143-R145 VanDerWaalsContact C-N 3.31Å; N143-R145 PolarHBondContact O-N 3.17Å; R145-S147 VanDerWaalsContact C-N 3.31Å; R145-S147 PolarHBondContact O-N 2.81Å; R145-Y149 HydrophobicContact CG-CD2 3.79Å; R145-Y149 HydrophobicContact CG-CE2 3.91Å; R145-Y149 VanDerWaalsContact O-CD2 3.29Å; R145-Y149 WeakPolarHBondContact O-CD2 3.44Å; R145-Y149 PolarHBondContact O-N 2.9Å
146R72.5Confident63.6Low108 Ų10891.6 Ų91.641%0.40846%0.46SS..Hα-helixtrans-61.7-38.7174.9-66.8-172.4-159.7155.67.7112.6Q142 N143 V144 H150 A151Q142-R146 VanDerWaalsContact NE2-NH2 3.19Å; Q142-R146 WeakPolarHBondContact O-CG 3.47Å; Q142-R146 PolarHBondContact O-N 2.84Å; N143-R146 PolarHBondContact O-N 3.24Å; V144-R146 PolarHBondContact O-N 2.76Å; R146-H150 CarbonylContact O-C 3.48Å; R146-H150 WeakPolarHBondContact O-CA 3.42Å; R146-H150 PolarHBondContact O-N 2.9Å; R146-A151 WeakPolarHBondContact CG-O 3.36Å; R146-A151 PolarHBondContact O-N 3.11Å
147S73.8Confident63.3Low91 Ų9194.8 Ų94.864%0.63648%0.483SS*.Hα-helixtrans-72.5-38-179.3-164.70000113.7N143 V144 R145N143-S147 WeakPolarHBondContact O-CB 3.49Å; N143-S147 PolarHBondContact O-N 3.44Å; V144-S147 PolarHBondContact O-N 2.96Å; R145-S147 VanDerWaalsContact C-N 3.31Å; R145-S147 PolarHBondContact O-N 2.81Å
148M70.3Confident63.1Low60 Ų6096 Ų9630%0.29650%0.501SS..Hα-helixtrans-72.7-45.5-179.5-71-172.7-49.600112.3V140 V144 I369V140-M148 HydrophobicContact CB-CE 4.42Å; V140-M148 HydrophobicContact CG1-CE 4.1Å; V140-M148 HydrophobicContact CG2-CE 4.15Å; V144-M148 HydrophobicContact CG1-CE 4.1Å; V144-M148 HydrophobicContact CG1-CG 4.07Å; V144-M148 HydrophobicContact CG1-SD 3.95Å; V144-M148 WeakPolarHBondContact O-CG 3.25Å; V144-M148 PolarHBondContact O-N 3.1Å; M148-I369 HydrophobicContact CG-CD1 4.21Å; M148-I369 HydrophobicContact CG-CG1 4.38Å; M148-I369 HydrophobicContact SD-CB 4.49Å; M148-I369 HydrophobicContact SD-CD1 3.5Å; M148-I369 VanDerWaalsContact SD-CD1 3.5Å; M148-I369 HydrophobicContact SD-CG1 3.62Å; M148-I369 HydrophobicContact SD-CG2 4.27Å
149Y66.8Low62.8Low78 Ų7890.2 Ų90.231%0.30649%0.492SS..SBendtrans-103.219.4-170.9-52-70.4000112.9W133 D134 R145 A151W133-Y149 HydrophobicContact CE3-CD1 4.44Å; W133-Y149 AromaticContact CE3-CD2 3.73Å; W133-Y149 HydrophobicContact CE3-CD2 3.73Å; W133-Y149 AromaticContact CE3-CE2 3.91Å; W133-Y149 HydrophobicContact CE3-CE2 3.91Å; W133-Y149 HydrophobicContact CE3-CG 4.01Å; W133-Y149 HydrophobicContact CZ3-CD1 4.41Å; W133-Y149 AromaticContact CZ3-CD2 3.55Å; W133-Y149 HydrophobicContact CZ3-CD2 3.55Å; W133-Y149 HydrophobicContact CZ3-CE2 4.22Å; W133-Y149 AromaticContact CZ3-CG 3.66Å; W133-Y149 HydrophobicContact CZ3-CG 3.66Å; D134-Y149 PolarHBondContact O-OH 3.15Å; R145-Y149 HydrophobicContact CG-CD2 3.79Å; R145-Y149 HydrophobicContact CG-CE2 3.91Å; R145-Y149 VanDerWaalsContact O-CD2 3.29Å; R145-Y149 WeakPolarHBondContact O-CD2 3.44Å; R145-Y149 PolarHBondContact O-N 2.9Å; Y149-A151 PolarHBondContact O-N 3.31Å
150H59.5Low62.4Low157 Ų15795.4 Ų95.473%0.72752%0.519SS*.  trans48.524.4-174.9-64.7-86000115.3R146 N152R146-H150 CarbonylContact O-C 3.48Å; R146-H150 WeakPolarHBondContact O-CA 3.42Å; R146-H150 PolarHBondContact O-N 2.9Å; H150-N152 PolarHBondContact O-N 2.62Å
151A56.4Low62.5Low19 Ų19102.1 Ų102.116%0.15755%0.547CS..THydrogen-bonded Turntrans-76.139.4-176.500000113.5R146 Y149 V154R146-A151 WeakPolarHBondContact CG-O 3.36Å; R146-A151 PolarHBondContact O-N 3.11Å; Y149-A151 PolarHBondContact O-N 3.31Å; A151-V154 HydrophobicContact CB-CB 4.03Å; A151-V154 HydrophobicContact CB-CG2 4.08Å
152N51.4Low62.7Low122 Ų122104.4 Ų104.465%0.65255%0.554SS**THydrogen-bonded Turntrans-79.9-31.2161.1-70.3-24.1000111.1H150H150-N152 PolarHBondContact O-N 2.62Å
153N51.3Low63.4Low151 Ų151107.3 Ų107.381%0.80756%0.561SS**SBendtrans-116.57.3178.7-71.8-2.7000113.8D155N153-D155 PolarHBondContact O-N 2.83Å
154V50.4Low63.9Low68 Ų68108.7 Ų108.741%0.41256%0.562SS.*SBendtrans-75.2111.2161.1177.80000106.4A151A151-V154 HydrophobicContact CB-CB 4.03Å; A151-V154 HydrophobicContact CB-CG2 4.08Å
155D43.6Very low64.4Low120 Ų120116.3 Ų116.364%0.64259%0.585SS**  trans-48168.2-172.1-65.1-66000115.2N153 S157 A158N153-D155 PolarHBondContact O-N 2.83Å; D155-S157 PolarHBondContact O-N 3.06Å; D155-A158 PolarHBondContact O-N 3.13Å; D155-A158 VanDerWaalsContact O-N 3.16Å
156N46Very low65.3Low158 Ų158117.8 Ų117.885%0.84560%0.598SS**G310 helixtrans-58.312150.3-64.2-61.6000113.8A158 A159N156-A158 VanDerWaalsContact C-N 3.3Å; N156-A159 WeakPolarHBondContact O-CB 3.35Å; N156-A159 PolarHBondContact O-N 3.47Å; N156-A159 VanDerWaalsContact O-N 3.07Å
157S47.4Very low66.3Low102 Ų102124.5 Ų124.571%0.71362%0.624SS**G310 helixtrans-77.5-15.3168-160.90000112.2D155 A159D155-S157 PolarHBondContact O-N 3.06Å; S157-A159 PolarHBondContact O-N 3.11Å
158A51.5Low67.2Low73 Ų73129 Ų12960%0.60363%0.632SS**G310 helixtrans-77.87.2158.900000113D155 N156 E160D155-A158 PolarHBondContact O-N 3.13Å; D155-A158 VanDerWaalsContact O-N 3.16Å; N156-A158 VanDerWaalsContact C-N 3.3Å; A158-E160 PolarHBondContact O-N 2.86Å
159A52.4Low68.1Low65 Ų65136.1 Ų136.154%0.53766%0.655SS.*SBendtrans-62.1124.3158.200000108.4N156 S157 K161N156-A159 WeakPolarHBondContact O-CB 3.35Å; N156-A159 PolarHBondContact O-N 3.47Å; N156-A159 VanDerWaalsContact O-N 3.07Å; S157-A159 PolarHBondContact O-N 3.11Å; A159-K161 PolarHBondContact O-N 3.07Å; A159-K161 VanDerWaalsContact O-N 3.11Å
160E62.1Low69.4Low185 Ų185136.1 Ų136.186%0.86467%0.665SS**  trans-43.9119.4178.3-60.5173.4158.600110.2A158 M162A158-E160 PolarHBondContact O-N 2.86Å; E160-M162 PolarHBondContact O-N 3.43Å
161K75.8Confident71Confident154 Ų154136.2 Ų136.267%0.6766%0.663SS**  trans-45.3109.5-174175.5175.9171.4-176.70109.6A159 Y163A159-K161 PolarHBondContact O-N 3.07Å; A159-K161 VanDerWaalsContact O-N 3.11Å; K161-Y163 VanDerWaalsContact C-N 3.3Å; K161-Y163 HydrophobicContact CB-CE2 4.17Å; K161-Y163 HydrophobicContact CD-CE1 3.79Å; K161-Y163 HydrophobicContact CG-CE1 4.08Å; K161-Y163 HydrophobicContact CG-CE2 4.43Å; K161-Y163 WeakPolarHBondContact O-CD2 3.32Å; K161-Y163 VanDerWaalsContact O-CE2 3.29Å; K161-Y163 WeakPolarHBondContact O-CE2 3.34Å; K161-Y163 PolarHBondContact O-N 3.16Å
162M82.5Confident72.9Confident125 Ų125138.4 Ų138.462%0.61668%0.681SS**  trans-74.480.5-165.6-166.8-155.673.500111.7E160 F164 R165E160-M162 PolarHBondContact O-N 3.43Å; M162-F164 WeakPolarHBondContact CG-O 3.32Å; M162-F164 PolarHBondContact O-N 2.82Å; M162-R165 HydrophobicContact CE-CB 4.32Å; M162-R165 HydrophobicContact SD-CB 4.44Å
163Y88Confident74.9Confident184 Ų184134.5 Ų134.572%0.72266%0.664SS**  trans-59.8-29.8-178.5-63.6-74.7000113.3K161K161-Y163 VanDerWaalsContact C-N 3.3Å; K161-Y163 HydrophobicContact CB-CE2 4.17Å; K161-Y163 HydrophobicContact CD-CE1 3.79Å; K161-Y163 HydrophobicContact CG-CE1 4.08Å; K161-Y163 HydrophobicContact CG-CE2 4.43Å; K161-Y163 WeakPolarHBondContact O-CD2 3.32Å; K161-Y163 VanDerWaalsContact O-CE2 3.29Å; K161-Y163 WeakPolarHBondContact O-CE2 3.34Å; K161-Y163 PolarHBondContact O-N 3.16Å
164F91.5Very high76.8Confident146 Ų146134 Ų13464%0.6466%0.658SS**  trans-157.1161.2177.258.1-85.5000111.6M162 L166M162-F164 WeakPolarHBondContact CG-O 3.32Å; M162-F164 PolarHBondContact O-N 2.82Å; F164-L166 HydrophobicContact CD2-CD1 3.95Å; F164-L166 HydrophobicContact CD2-CG 4.47Å; F164-L166 HydrophobicContact CE2-CD1 3.52Å; F164-L166 HydrophobicContact CE2-CG 4.06Å; F164-L166 HydrophobicContact CZ-CD1 4.47Å
165R89.5Confident78.9Confident204 Ų204133.8 Ų133.877%0.7766%0.655SS**  trans-109.1115.1176.3-174.5179.3-68.6170.7-1.1110.2M162 R167M162-R165 HydrophobicContact CE-CB 4.32Å; M162-R165 HydrophobicContact SD-CB 4.44Å; R165-R167 PolarHBondContact O-N 2.9Å
166L89.7Confident81.3Confident104 Ų104137 Ų13755%0.54566%0.658SS.*  trans-63.3125.3177.9-75.581.6000111F164F164-L166 HydrophobicContact CD2-CD1 3.95Å; F164-L166 HydrophobicContact CD2-CG 4.47Å; F164-L166 HydrophobicContact CE2-CD1 3.52Å; F164-L166 HydrophobicContact CE2-CG 4.06Å; F164-L166 HydrophobicContact CZ-CD1 4.47Å
167R92.1Very high83.7Confident249 Ų249135.1 Ų135.194%0.9465%0.647SS**SBendtrans-78.6-20.4176.2-68.2-176.8176.9-178.7-1.1114R165R165-R167 PolarHBondContact O-N 2.9Å
168K92.3Very high86Confident184 Ų184134.5 Ų134.580%0.863%0.633SS**SBendtrans-143153.3177.4-67.2-175.8178.8179.80108.7
169R90.3Very high88Confident211 Ų211134.8 Ų134.880%0.79663%0.63SS**  trans-66.7146.1170.4-68-172.9-179.8173.70.7110S173R169-S173 WeakPolarHBondContact CD-OG 3.41Å
170P93.2Very high90.1Very high78 Ų78136.5 Ų136.551%0.50663%0.63SS.*  trans-68.2160.6178.729.8-36.3000111.7A172 S173P170-A172 PolarHBondContact O-N 3.14Å; P170-A172 VanDerWaalsContact O-N 3.16Å; P170-S173 VanDerWaalsContact O-CB 3.27Å; P170-S173 WeakPolarHBondContact O-CB 3.44Å; P170-S173 PolarHBondContact O-N 3.25Å
171K94.6Very high91.7Very high158 Ų158133.3 Ų133.369%0.68762%0.615SS**THydrogen-bonded Turntrans-52.5-39.3-179.1-169.5-173.2170.2-1760112.9S173 M174 D175K171-S173 PolarHBondContact O-N 3.28Å; K171-M174 WeakPolarHBondContact O-CA 3.47Å; K171-M174 WeakPolarHBondContact O-CB 3.48Å; K171-M174 PolarHBondContact O-N 2.93Å; K171-D175 VanDerWaalsContact C-OD2 3.28Å; K171-D175 WeakPolarHBondContact CE-OD1 3.26Å; K171-D175 VanDerWaalsContact O-CG 3.32Å; K171-D175 PolarHBondContact O-N 2.88Å
172A94.6Very high92.7Very high65 Ų65132.6 Ų132.654%0.53761%0.608SS.*Hα-helixtrans-54.1-22.7174.500000114.7P170 D175 R176P170-A172 PolarHBondContact O-N 3.14Å; P170-A172 VanDerWaalsContact O-N 3.16Å; A172-D175 WeakPolarHBondContact CA-OD2 3.19Å; A172-D175 PolarHBondContact N-OD2 3.06Å; A172-R176 WeakPolarHBondContact O-CB 2.92Å; A172-R176 PolarHBondContact O-N 2.77Å
173S93.4Very high93.3Very high41 Ų41129.1 Ų129.129%0.28760%0.599SS.*Hα-helixtrans-75.2-26.2172.4-175.10000113.5R169 P170 K171 L177R169-S173 WeakPolarHBondContact CD-OG 3.41Å; P170-S173 VanDerWaalsContact O-CB 3.27Å; P170-S173 WeakPolarHBondContact O-CB 3.44Å; P170-S173 PolarHBondContact O-N 3.25Å; K171-S173 PolarHBondContact O-N 3.28Å; S173-L177 PolarHBondContact O-N 3.27Å
174M91.3Very high93.6Very high139 Ų139127.2 Ų127.269%0.68560%0.597SS**Hα-helixtrans-80.5-46.8170.3-66.7176.460.200109.8K171 R176 L177 E178K171-M174 WeakPolarHBondContact O-CA 3.47Å; K171-M174 WeakPolarHBondContact O-CB 3.48Å; K171-M174 PolarHBondContact O-N 2.93Å; M174-R176 VanDerWaalsContact C-N 3.25Å; M174-R176 PolarHBondContact O-N 2.91Å; M174-L177 WeakPolarHBondContact O-CA 3.29Å; M174-L177 WeakPolarHBondContact O-CB 3.32Å; M174-L177 PolarHBondContact O-N 3.47Å; M174-E178 PolarHBondContact O-N 3.49Å
175D94.8Very high93.8Very high65 Ų65124.7 Ų124.735%0.34859%0.589SS.*Hα-helixtrans-57.1-40.8178.4-48-35.9000110.7K171 A172 E178 C179K171-D175 VanDerWaalsContact C-OD2 3.28Å; K171-D175 WeakPolarHBondContact CE-OD1 3.26Å; K171-D175 VanDerWaalsContact O-CG 3.32Å; K171-D175 PolarHBondContact O-N 2.88Å; A172-D175 WeakPolarHBondContact CA-OD2 3.19Å; A172-D175 PolarHBondContact N-OD2 3.06Å; D175-E178 PolarHBondContact O-N 3.32Å; D175-C179 WeakPolarHBondContact O-CB 3.48Å; D175-C179 PolarHBondContact O-N 3.47Å; D175-C179 PolarHBondContact O-SG 3.33Å
176R95.5Very high93.9Very high186 Ų186117.2 Ų117.270%0.70257%0.571SS**Hα-helixtrans-64.5-38.1172.4-179.6174.9175.7174.6-1.2113.5A172 M174 L180A172-R176 WeakPolarHBondContact O-CB 2.92Å; A172-R176 PolarHBondContact O-N 2.77Å; M174-R176 VanDerWaalsContact C-N 3.25Å; M174-R176 PolarHBondContact O-N 2.91Å; R176-L180 HydrophobicContact CG-CD1 4.25Å; R176-L180 VanDerWaalsContact O-CG 3.3Å; R176-L180 WeakPolarHBondContact O-CG 3.3Å; R176-L180 PolarHBondContact O-N 2.86Å; R176-L180 VanDerWaalsContact O-N 3.07Å
177L95.1Very high94Very high119 Ų119119.8 Ų119.862%0.62358%0.578SS**Hα-helixtrans-66.5-44.3177.9-166.782000110.4S173 M174 L180 Q181S173-L177 PolarHBondContact O-N 3.27Å; M174-L177 WeakPolarHBondContact O-CA 3.29Å; M174-L177 WeakPolarHBondContact O-CB 3.32Å; M174-L177 PolarHBondContact O-N 3.47Å; L177-L180 PolarHBondContact O-N 3.19Å; L177-Q181 PolarHBondContact O-N 2.75Å
178E95.3Very high93.9Very high89 Ų89110.7 Ų110.742%0.41655%0.553SS.*Hα-helixtrans-64.6-42.4178.8-158.2-163.5-157.100111.6M174 D175 L180 Q181 R182M174-E178 PolarHBondContact O-N 3.49Å; D175-E178 PolarHBondContact O-N 3.32Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-L180 PolarHBondContact O-N 2.95Å; E178-Q181 PolarHBondContact O-N 3.23Å; E178-R182 VanDerWaalsContact CD-CZ 3.41Å; E178-R182 WeakPolarHBondContact O-CG 3.47Å; E178-R182 PolarHBondContact O-N 2.86Å; E178-R182 IonicContact OE1-CZ 2.86Å; E178-R182 IonicContact OE1-NH1 3.22Å; E178-R182 IonicContact OE1-NH2 3.38Å; E178-R182 PolarHBondContact OE1-NH2 3.44Å; E178-R182 IonicContact OE2-CZ 2.59Å; E178-R182 IonicContact OE2-NH1 3.51Å; E178-R182 PolarHBondContact OE2-NH1 3.4Å; E178-R182 IonicContact OE2-NH2 2.97Å; E178-R182 PolarHBondContact OE2-NH2 2.78Å
179C95.3Very high93.5Very high79 Ų79108.2 Ų108.253%0.53454%0.544SS..Hα-helixtrans-60.4-40.3171.6-75.30000112.8D175 A183D175-C179 WeakPolarHBondContact O-CB 3.48Å; D175-C179 PolarHBondContact O-N 3.47Å; D175-C179 PolarHBondContact O-SG 3.33Å; C179-A183 WeakPolarHBondContact O-CB 3.32Å; C179-A183 PolarHBondContact O-N 3.28Å
180L96.2Very high92.8Very high102 Ų102101.8 Ų101.853%0.53453%0.531SS..Hα-helixtrans-67.3-41.2175.7-74.3168.2000111.8R176 L177 E178 A183 Q184R176-L180 HydrophobicContact CG-CD1 4.25Å; R176-L180 VanDerWaalsContact O-CG 3.3Å; R176-L180 WeakPolarHBondContact O-CG 3.3Å; R176-L180 PolarHBondContact O-N 2.86Å; R176-L180 VanDerWaalsContact O-N 3.07Å; L177-L180 PolarHBondContact O-N 3.19Å; E178-L180 VanDerWaalsContact C-N 3.35Å; E178-L180 PolarHBondContact O-N 2.95Å; L180-A183 PolarHBondContact O-N 2.97Å; L180-Q184 WeakPolarHBondContact O-CB 3.3Å; L180-Q184 PolarHBondContact O-N 2.97Å
181Q95.8Very high91.7Very high118 Ų118105.9 Ų105.955%0.55154%0.543SS*.Hα-helixtrans-63.9-44.7176.3-170.9176.53.800111.7L177 E178 A183 Q184 L185L177-Q181 PolarHBondContact O-N 2.75Å; E178-Q181 PolarHBondContact O-N 3.23Å; Q181-A183 VanDerWaalsContact C-N 3.34Å; Q181-A183 PolarHBondContact O-N 3.33Å; Q181-Q184 PolarHBondContact O-N 3.37Å; Q181-L185 HydrophobicContact CG-CD1 4.44Å; Q181-L185 WeakPolarHBondContact O-CG 3.49Å; Q181-L185 PolarHBondContact O-N 3.33Å
182R95.5Very high90Very high139 Ų139102.3 Ų102.353%0.52554%0.544SS..Hα-helixtrans-59.7-42.8172.6-72.4-172-177.3101.89.9112E178 Q184 L185 A186E178-R182 VanDerWaalsContact CD-CZ 3.41Å; E178-R182 WeakPolarHBondContact O-CG 3.47Å; E178-R182 PolarHBondContact O-N 2.86Å; E178-R182 IonicContact OE1-CZ 2.86Å; E178-R182 IonicContact OE1-NH1 3.22Å; E178-R182 IonicContact OE1-NH2 3.38Å; E178-R182 PolarHBondContact OE1-NH2 3.44Å; E178-R182 IonicContact OE2-CZ 2.59Å; E178-R182 IonicContact OE2-NH1 3.51Å; E178-R182 PolarHBondContact OE2-NH1 3.4Å; E178-R182 IonicContact OE2-NH2 2.97Å; E178-R182 PolarHBondContact OE2-NH2 2.78Å; R182-Q184 VanDerWaalsContact C-N 3.32Å; R182-Q184 PolarHBondContact O-N 3.36Å; R182-L185 PolarHBondContact O-N 3.43Å; R182-A186 WeakPolarHBondContact O-CB 3.21Å; R182-A186 PolarHBondContact O-N 3.18Å
183A94.8Very high88.1Confident52 Ų52104.5 Ų104.543%0.4355%0.55SS..Hα-helixtrans-66.3-32177.400000113.1C179 L180 Q181 K187C179-A183 WeakPolarHBondContact O-CB 3.32Å; C179-A183 PolarHBondContact O-N 3.28Å; L180-A183 PolarHBondContact O-N 2.97Å; Q181-A183 VanDerWaalsContact C-N 3.34Å; Q181-A183 PolarHBondContact O-N 3.33Å; A183-K187 WeakPolarHBondContact O-CG 3.28Å; A183-K187 PolarHBondContact O-N 3.36Å
184Q95.6Very high86.1Confident144 Ų144110 Ų11067%0.67357%0.571SS**Hα-helixtrans-72.3-44.2174.1-174.5169.8-10.900111.6L180 Q181 R182 A186 K187 S188L180-Q184 WeakPolarHBondContact O-CB 3.3Å; L180-Q184 PolarHBondContact O-N 2.97Å; Q181-Q184 PolarHBondContact O-N 3.37Å; R182-Q184 VanDerWaalsContact C-N 3.32Å; R182-Q184 PolarHBondContact O-N 3.36Å; Q184-A186 VanDerWaalsContact C-N 3.34Å; Q184-A186 PolarHBondContact O-N 3.08Å; Q184-K187 WeakPolarHBondContact O-CB 3.41Å; Q184-K187 PolarHBondContact O-N 2.89Å; Q184-S188 PolarHBondContact O-N 3.42Å; Q184-S188 VanDerWaalsContact O-N 3.08Å; Q184-S188 PolarHBondContact O-OG 2.93Å
185L94.6Very high83.6Confident92 Ų92108.6 Ų108.648%0.48257%0.57SS.*Hα-helixtrans-59.6-43.5175-71.7170.3000111.9Q181 R182 K187 S188 Q189Q181-L185 HydrophobicContact CG-CD1 4.44Å; Q181-L185 WeakPolarHBondContact O-CG 3.49Å; Q181-L185 PolarHBondContact O-N 3.33Å; R182-L185 PolarHBondContact O-N 3.43Å; L185-K187 PolarHBondContact O-N 3.26Å; L185-S188 WeakPolarHBondContact CA-OG 3.37Å; L185-S188 PolarHBondContact O-N 2.94Å; L185-S188 PolarHBondContact O-OG 2.72Å; L185-Q189 WeakPolarHBondContact O-CG 3.3Å; L185-Q189 PolarHBondContact O-N 3.31Å
186A92.6Very high81.2Confident48 Ų48111 Ų11140%0.39759%0.59SS.*Hα-helixtrans-59.5-42.7175.400000112.2R182 Q184 Q189 S190R182-A186 WeakPolarHBondContact O-CB 3.21Å; R182-A186 PolarHBondContact O-N 3.18Å; Q184-A186 VanDerWaalsContact C-N 3.34Å; Q184-A186 PolarHBondContact O-N 3.08Å; A186-Q189 PolarHBondContact O-N 3.05Å; A186-S190 PolarHBondContact O-N 3.3Å; A186-S190 PolarHBondContact O-OG 3.12Å
187K91.7Very high78.7Confident157 Ų157110.5 Ų110.568%0.68360%0.595SS**Hα-helixtrans-60.7-46175-77.4180175.3-1710112.5A183 Q184 L185 Q189 S190 Q191A183-K187 WeakPolarHBondContact O-CG 3.28Å; A183-K187 PolarHBondContact O-N 3.36Å; Q184-K187 WeakPolarHBondContact O-CB 3.41Å; Q184-K187 PolarHBondContact O-N 2.89Å; L185-K187 PolarHBondContact O-N 3.26Å; K187-Q189 VanDerWaalsContact C-N 3.32Å; K187-Q189 PolarHBondContact O-N 2.87Å; K187-S190 PolarHBondContact O-N 3.42Å; K187-Q191 PolarHBondContact O-N 3.04Å; K187-Q191 VanDerWaalsContact O-N 3.09Å
188S89.1Confident76.1Confident59 Ų59111 Ų11141%0.41360%0.604SS.*Hα-helixtrans-64.8-34.9177.943.60000112.7Q184 L185 Q191 A192Q184-S188 PolarHBondContact O-N 3.42Å; Q184-S188 VanDerWaalsContact O-N 3.08Å; Q184-S188 PolarHBondContact O-OG 2.93Å; L185-S188 WeakPolarHBondContact CA-OG 3.37Å; L185-S188 PolarHBondContact O-N 2.94Å; L185-S188 PolarHBondContact O-OG 2.72Å; S188-Q191 PolarHBondContact O-N 2.9Å; S188-A192 PolarHBondContact O-N 3.4Å
189Q85Confident73.5Confident132 Ų132111.1 Ų111.162%0.61761%0.614SS**Hα-helixtrans-67.3-42.8174.6-72.8174.8-2.100111.6L185 A186 K187 Q191 A192 V193L185-Q189 WeakPolarHBondContact O-CG 3.3Å; L185-Q189 PolarHBondContact O-N 3.31Å; A186-Q189 PolarHBondContact O-N 3.05Å; K187-Q189 VanDerWaalsContact C-N 3.32Å; K187-Q189 PolarHBondContact O-N 2.87Å; Q189-Q191 VanDerWaalsContact C-N 3.28Å; Q189-Q191 PolarHBondContact O-N 2.78Å; Q189-A192 PolarHBondContact O-N 3.23Å; Q189-A192 VanDerWaalsContact O-N 3.15Å; Q189-V193 WeakPolarHBondContact O-CG2 3.44Å; Q189-V193 PolarHBondContact O-N 2.92Å
190S75.2Confident70.8Confident75 Ų75112.2 Ų112.252%0.52462%0.618SS.*Hα-helixtrans-61.9-33.3174.5-590000113.3A186 K187 H194A186-S190 PolarHBondContact O-N 3.3Å; A186-S190 PolarHBondContact O-OG 3.12Å; K187-S190 PolarHBondContact O-N 3.42Å; S190-H194 PolarHBondContact O-CD2 2.84Å; S190-H194 VanDerWaalsContact O-CD2 3.23Å
191Q69Low67.9Low164 Ų164113 Ų11377%0.76663%0.628SS**Hα-helixtrans-75.5-22.4176-72-176.6-52.800113.7K187 S188 Q189K187-Q191 PolarHBondContact O-N 3.04Å; K187-Q191 VanDerWaalsContact O-N 3.09Å; S188-Q191 PolarHBondContact O-N 2.9Å; Q189-Q191 VanDerWaalsContact C-N 3.28Å; Q189-Q191 PolarHBondContact O-N 2.78Å
192A60.4Low65.4Low84 Ų84116.8 Ų116.869%0.69464%0.638SS**Hα-helixtrans-87-10.6-177.500000114.8S188 Q189S188-A192 PolarHBondContact O-N 3.4Å; Q189-A192 PolarHBondContact O-N 3.23Å; Q189-A192 VanDerWaalsContact O-N 3.15Å
193V54.7Low62.6Low110 Ų110118.9 Ų118.967%0.66765%0.654SS**SBendtrans-101.2-11.8-174.81760000112.9Q189 T195Q189-V193 WeakPolarHBondContact O-CG2 3.44Å; Q189-V193 PolarHBondContact O-N 2.92Å; V193-T195 PolarHBondContact O-N 3.17Å
194H50.7Low60Low156 Ų156122.7 Ų122.772%0.72267%0.672SS**  trans-88.976.6177.5-70.6-59000112.6S190S190-H194 PolarHBondContact O-CD2 2.84Å; S190-H194 VanDerWaalsContact O-CD2 3.23Å
195T39.8Very low57.4Low111 Ų111123.5 Ų123.568%0.68168%0.681SS**  trans-57.2134.6142.7200000108.6V193 E197V193-T195 PolarHBondContact O-N 3.17Å; T195-E197 PolarHBondContact O-N 3.31Å
196P43.1Very low54.8Low116 Ų116127.6 Ų127.675%0.75370%0.697SS**  trans-75.896.1177.930.2-33.1000109.7T198P196-T198 VanDerWaalsContact C-N 3.35Å; P196-T198 PolarHBondContact O-N 3.25Å
197E42.4Very low52.3Low175 Ų175134.3 Ų134.382%0.81872%0.723SS**  trans-72.292.2168.9-71.9-170.9153.900109.7T195 S199T195-E197 PolarHBondContact O-N 3.31Å; E197-S199 PolarHBondContact O-N 2.68Å; E197-S199 VanDerWaalsContact O-N 3.16Å
198T40.6Very low49.7Very low130 Ų130129.9 Ų129.980%0.79872%0.721SS**  trans-55115.1166.2-51.10000109.1P196P196-T198 VanDerWaalsContact C-N 3.35Å; P196-T198 PolarHBondContact O-N 3.25Å
199S41.7Very low47.4Very low91 Ų91133.6 Ų133.664%0.63674%0.742SS**  trans-137121.7175.8-74.30000110.9E197E197-S199 PolarHBondContact O-N 2.68Å; E197-S199 VanDerWaalsContact O-N 3.16Å
200T38Very low45.2Very low101 Ų101131.4 Ų131.462%0.6275%0.746SS**  trans49.379.2169.653.10000116
201T35Very low43.8Very low120 Ų120134.6 Ų134.674%0.73676%0.762SS**  trans-56.3135.8138-54.60000108.2E203T201-E203 HydrophobicContact CG2-CG 4.27Å
202Y44.4Very low42.3Very low197 Ų197132.4 Ų132.477%0.77376%0.762SS**  trans-100.1104.7166.2-48.6-80.3000107.7
203E35.8Very low41.5Very low182 Ų182137.5 Ų137.585%0.8577%0.774SS**  trans-75.4128.1168-66.1178.3142.300108.3T201T201-E203 HydrophobicContact CG2-CG 4.27Å
204V41.6Very low40.5Very low133 Ų133137 Ų13781%0.80678%0.775SS**  trans-126.9103.3168.1179.10000106
205D39.6Very low40Very low161 Ų161135 Ų13586%0.86178%0.777SS**  trans-71.8151.3-169.6-139.2-23.4000112.3
206Q40.4Very low40Very low177 Ų177135 Ų13583%0.82778%0.776SS**  trans-94.4105179.4-71.6-172.911.400111.6
207M40.2Very low40Very low190 Ų190136.9 Ų136.994%0.93678%0.775SS**  trans-158.4147.9157.1-144158.4-72.900114.3
208G37.6Very low39.9Very low63 Ų63137 Ų13765%0.64977%0.773SS**  trans96.864.8145.100000119.5
209T40.5Very low39.6Very low138 Ų138136.6 Ų136.685%0.84778%0.775SS**  44.4111121.9-41.50000121
210A38.9Very low39.5Very low86 Ų86136.9 Ų136.971%0.71178%0.783SS**  trans82.2126.1135.600000124.1
211V46.3Very low39.5Very low141 Ų141141.2 Ų141.286%0.85579%0.794SS**  trans80.4130.9142.9174.70000119.3
212P36.8Very low39.6Very low118 Ų118142.6 Ų142.677%0.76680%0.802SS**  trans-113.6162.1-174.142-34.1000115.5
213M43Very low39.1Very low192 Ų192140.8 Ų140.895%0.94681%0.806SS**  trans-147.5146153.9-77.3-156.573.600112.2
214S33.9Very low39.1Very low99 Ų99136.3 Ų136.369%0.69280%0.8SS**  trans-107.7150.9164.254.20000109.5
215P39.8Very low39Very low115 Ų115139.3 Ų139.375%0.74781%0.805SS**  -154.1138.8104.536.6-17000117.9
216T40.3Very low38.8Very low110 Ų110138.1 Ų138.168%0.67580%0.803SS**  61.7108.9115.8-44.20000123
217E42.5Very low38.8Very low155 Ų155138 Ų13872%0.72481%0.807SS**  trans77.5161.1140-69.8175.3-154.100124.8
218K41.3Very low38.4Very low177 Ų177136.9 Ų136.977%0.7780%0.8SS**  trans9276.5154.1-46-159.5-179.6173.30120.6
219S34.9Very low38.5Very low122 Ų122138.9 Ų138.985%0.85381%0.811SS**  44.7112.8112.6176.10000120.2
220A37.8Very low38.3Very low98 Ų98141.8 Ų141.881%0.8181%0.811SS**  trans-153.3157.4136.100000111.2
221K38.3Very low38.3Very low191 Ų191141.1 Ų141.183%0.8381%0.812SS**  trans-114.8146.8171.8-55.8169.6-175.9171.30108.6
222T37.9Very low38.1Very low150 Ų150139.4 Ų139.492%0.9281%0.807SS**  170.5170.4120.4390000113.3
223N33.6Very low38.1Very low159 Ų159143.5 Ų143.585%0.8581%0.813SS**  trans-84.6156.3-161-90.9-19.7000116
224A35.8Very low38Very low87 Ų87139.2 Ų139.272%0.71981%0.808SS**  trans63.6131.2138.300000120.8
225Q39.5Very low38.3Very low197 Ų197139.1 Ų139.192%0.92181%0.813SS**  -155.4164.595.3-101.517324.900111.8
226V36.4Very low38.4Very low135 Ų135140.7 Ų140.782%0.81882%0.821SS**  trans-107.6141.2-179.8169.80000109.2
227L40.4Very low38.4Very low175 Ų175146.1 Ų146.192%0.91683%0.829SS**  trans-151.1124.8161.2-108.8166.3000110.5
228E30.4Very low38.5Very low166 Ų166148.9 Ų148.978%0.77684%0.838SS**  trans-88.1149.9167.1-72.9-163159.700111
229A39.8Very low38.3Very low106 Ų106148.7 Ų148.788%0.87684%0.84SS**  trans-141139.9162.300000110.5
230K37.2Very low38.7Very low199 Ų199150 Ų15087%0.86584%0.843SS**  trans-102.1139.9-173.6-71.3173.1178.5167.60112.6
231G39.3Very low38.7Very low71 Ų71149.3 Ų149.373%0.73284%0.837SS**  trans-175.1153.1153.600000112.2
232S40.5Very low39.2Very low106 Ų106146.6 Ų146.674%0.74184%0.836SS**  cis162.2107.9-31.8-99.30000107.3
233K38.3Very low39.9Very low204 Ų204149 Ų14989%0.88783%0.834SS**  trans61.2107.2152.5-54.6175.1179.3178.20120.2
234A40.2Very low40.8Very low101 Ų101149.5 Ų149.584%0.83583%0.833SS**  176119.2126.900000108.1
235A40Very low41.7Very low97 Ų97152 Ų15280%0.80283%0.833SS**  cis83.184.942.500000114.5
236T42.2Very low42.2Very low149 Ų149148.8 Ų148.891%0.91482%0.822SS**  trans-149.9147156.8-64.60000109.5
237R40.3Very low42.9Very low224 Ų224149.3 Ų149.385%0.84582%0.819SS**  trans-87.3154.7-170.7-66.1170167164.6-7.8113.7
238K45.5Very low43.4Very low212 Ų212145.6 Ų145.692%0.92281%0.808SS**  trans-160.9106.2135.8-107.6165.5-172.8177.50110.9
239E36.2Very low44.4Very low174 Ų174141.2 Ų141.281%0.81379%0.788SS**  trans-83.2-168159.3-66.2173.996.500109.5
240V44.1Very low45.1Very low149 Ų149140.8 Ų140.890%0.90377%0.774SS**  trans94.8117.2-173.2-179.90000112.7
241A36.3Very low46Very low84 Ų84136.3 Ų136.369%0.69477%0.765SS**  cis-151.1140.5-11.500000112
242V49.2Very low47.1Very low133 Ų133140.5 Ų140.581%0.80677%0.766SS**  trans-73.7125.6158.7176.50000107.5M244V242-M244 PolarHBondContact O-N 2.93Å
243K53.3Low48Very low200 Ų200137 Ų13787%0.8774%0.744SS**  trans-70105.8170.4-90-173.1173.2-179.80109.2
244M52.9Low48.9Very low170 Ų170131.7 Ų131.784%0.83772%0.724SS**  trans-52140174.3-75.2-71.7-75.700111.3V242 D246V242-M244 PolarHBondContact O-N 2.93Å; M244-D246 PolarHBondContact O-N 2.99Å
245I54Low49.9Very low141 Ų141134.2 Ų134.272%0.72372%0.717SS**  trans-81.3103.1170.9-62.9174000107.3L247I245-L247 HydrophobicContact CG2-CB 4.44Å; I245-L247 HydrophobicContact CG2-CD1 3.57Å; I245-L247 HydrophobicContact CG2-CG 3.67Å; I245-L247 PolarHBondContact O-N 2.85Å
246D49.8Very low51.3Low128 Ų128134.5 Ų134.568%0.68471%0.708SS**  trans-80.797.1172.1-165.4-17.3000109.9M244 S248M244-D246 PolarHBondContact O-N 2.99Å; D246-S248 WeakPolarHBondContact OD1-CB 3.13Å; D246-S248 PolarHBondContact OD1-N 3.05Å; D246-S248 VanDerWaalsContact OD1-N 3.13Å; D246-S248 PolarHBondContact OD1-OG 3.31Å
247L50.8Low52.6Low146 Ų146133.5 Ų133.576%0.76469%0.692SS**  trans-106.342.1173.9-85.5167.9000111.5I245 E249I245-L247 HydrophobicContact CG2-CB 4.44Å; I245-L247 HydrophobicContact CG2-CD1 3.57Å; I245-L247 HydrophobicContact CG2-CG 3.67Å; I245-L247 PolarHBondContact O-N 2.85Å; L247-E249 PolarHBondContact O-N 2.73Å
248S51.7Low54Low98 Ų98132.3 Ų132.369%0.68569%0.687SS**  trans-72.57.1172.155.80000115.1D246D246-S248 WeakPolarHBondContact OD1-CB 3.13Å; D246-S248 PolarHBondContact OD1-N 3.05Å; D246-S248 VanDerWaalsContact OD1-N 3.13Å; D246-S248 PolarHBondContact OD1-OG 3.31Å
249E50.6Low55.2Low74 Ų74129.6 Ų129.635%0.34668%0.675SS.*  trans-95.893.8173.3-162.7168.8-174.400111.5L247 A253 L254 K257L247-E249 PolarHBondContact O-N 2.73Å; E249-A253 HydrophobicContact CG-CB 3.63Å; E249-L254 VanDerWaalsContact CD-CD2 3.5Å; E249-L254 HydrophobicContact CG-CD2 4.21Å; E249-L254 HydrophobicContact CG-CG 4.05Å; E249-L254 WeakPolarHBondContact OE2-CD2 3.32Å; E249-K257 IonicContact OE1-NZ 3.86Å; E249-K257 IonicContact OE2-NZ 3.94Å
250T55.1Low57Low97 Ų97125 Ų12560%0.59566%0.662SS**  trans-59149.3178.756.50000112.3Q252 A253T250-Q252 PolarHBondContact O-N 3.27Å; T250-A253 PolarHBondContact O-N 3.18Å
251P56.4Low58.5Low104 Ų104121.6 Ų121.668%0.67564%0.642SS**THydrogen-bonded Turntrans-67.82.6-166.125.3-35.7000116.4
252Q60.9Low60.4Low159 Ų159122.4 Ų122.474%0.74363%0.631SS**THydrogen-bonded Turntrans-86.3-38.1166.7-71-172.9-9.400112.6T250 L254 K255 T256T250-Q252 PolarHBondContact O-N 3.27Å; Q252-L254 PolarHBondContact O-N 3.18Å; Q252-K255 WeakPolarHBondContact O-CB 3.35Å; Q252-K255 PolarHBondContact O-N 3.12Å; Q252-T256 PolarHBondContact O-N 3.43Å; Q252-T256 PolarHBondContact O-OG1 3.19Å
253A59.3Low61.8Low33 Ų33121.9 Ų121.927%0.27362%0.623SS.*Hα-helixtrans-63.5-42.1-177.200000112.3E249 T250 K255 T256 K257E249-A253 HydrophobicContact CG-CB 3.63Å; T250-A253 PolarHBondContact O-N 3.18Å; A253-K255 PolarHBondContact O-N 3.08Å; A253-K255 VanDerWaalsContact O-N 3.16Å; A253-T256 PolarHBondContact O-N 3.39Å; A253-T256 PolarHBondContact O-OG1 3.01Å; A253-K257 VanDerWaalsContact O-CB 3.31Å; A253-K257 WeakPolarHBondContact O-CB 3.34Å; A253-K257 PolarHBondContact O-N 3.42Å
254L57.8Low63.1Low92 Ų92119 Ų11948%0.48261%0.613SS.*Hα-helixtrans-60.3-25.1173-68.6174000113.5E249 Q252 R258E249-L254 VanDerWaalsContact CD-CD2 3.5Å; E249-L254 HydrophobicContact CG-CD2 4.21Å; E249-L254 HydrophobicContact CG-CG 4.05Å; E249-L254 WeakPolarHBondContact OE2-CD2 3.32Å; Q252-L254 PolarHBondContact O-N 3.18Å; L254-R258 WeakPolarHBondContact O-CB 3.32Å; L254-R258 WeakPolarHBondContact O-CG 3.33Å; L254-R258 PolarHBondContact O-N 3.35Å
255K62.3Low64.3Low155 Ų155115.9 Ų115.967%0.67460%0.596SS**Hα-helixtrans-80.2-43.3177.3-68.9178.5178.5177.80111.9Q252 A253 K259Q252-K255 WeakPolarHBondContact O-CB 3.35Å; Q252-K255 PolarHBondContact O-N 3.12Å; A253-K255 PolarHBondContact O-N 3.08Å; A253-K255 VanDerWaalsContact O-N 3.16Å; K255-K259 WeakPolarHBondContact O-CB 3.48Å; K255-K259 PolarHBondContact O-N 2.7Å
256T68Low65.7Low102 Ų102114.6 Ų114.663%0.62659%0.585SS**Hα-helixtrans-65.6-44.4174.541.20000111.3Q252 A253 R258 K259 S260Q252-T256 PolarHBondContact O-N 3.43Å; Q252-T256 PolarHBondContact O-OG1 3.19Å; A253-T256 PolarHBondContact O-N 3.39Å; A253-T256 PolarHBondContact O-OG1 3.01Å; T256-R258 PolarHBondContact O-N 2.93Å; T256-K259 PolarHBondContact O-N 2.69Å; T256-K259 VanDerWaalsContact O-N 3.16Å; T256-S260 PolarHBondContact O-N 3.15Å
257K69.5Low67.4Low129 Ų129111.4 Ų111.456%0.56158%0.576SS**Hα-helixtrans-59.9-47.3178.8-156.3170.8-171.3172.90112.2E249 A253 K259 S260 T261E249-K257 IonicContact OE1-NZ 3.86Å; E249-K257 IonicContact OE2-NZ 3.94Å; A253-K257 VanDerWaalsContact O-CB 3.31Å; A253-K257 WeakPolarHBondContact O-CB 3.34Å; A253-K257 PolarHBondContact O-N 3.42Å; K257-K259 VanDerWaalsContact C-N 3.34Å; K257-K259 PolarHBondContact O-N 2.86Å; K257-S260 PolarHBondContact O-N 3.05Å; K257-T261 PolarHBondContact O-N 2.89Å; K257-T261 VanDerWaalsContact O-N 3.1Å; K257-T261 PolarHBondContact O-OG1 3.49Å
258R70.3Confident69Low199 Ų199107.2 Ų107.275%0.75156%0.563SS**Hα-helixtrans-57.8-42.4173.1-88.6-177.5162.5169.3-2.9113.1L254 T256 S260 T261 E262L254-R258 WeakPolarHBondContact O-CB 3.32Å; L254-R258 WeakPolarHBondContact O-CG 3.33Å; L254-R258 PolarHBondContact O-N 3.35Å; T256-R258 PolarHBondContact O-N 2.93Å; R258-S260 VanDerWaalsContact C-N 3.32Å; R258-S260 PolarHBondContact O-N 2.76Å; R258-T261 WeakPolarHBondContact CA-OG1 3.46Å; R258-T261 PolarHBondContact O-N 3.21Å; R258-T261 PolarHBondContact O-OG1 3.42Å; R258-E262 PolarHBondContact O-N 2.83Å
259K71.4Confident70.6Confident155 Ų155109 Ų10967%0.67456%0.559SS**Hα-helixtrans-68.4-31.8-178.2-153.2177.2-173.4-174.80112.2K255 T256 K257 L263K255-K259 WeakPolarHBondContact O-CB 3.48Å; K255-K259 PolarHBondContact O-N 2.7Å; T256-K259 PolarHBondContact O-N 2.69Å; T256-K259 VanDerWaalsContact O-N 3.16Å; K257-K259 VanDerWaalsContact C-N 3.34Å; K257-K259 PolarHBondContact O-N 2.86Å; K259-L263 PolarHBondContact O-N 2.67Å
260S72.7Confident72.2Confident76 Ų76115.2 Ų115.253%0.53158%0.579SS.*Hα-helixtrans-66.9-51.4171.3-159.60000111.5T256 K257 R258 E262 L263 E264T256-S260 PolarHBondContact O-N 3.15Å; K257-S260 PolarHBondContact O-N 3.05Å; R258-S260 VanDerWaalsContact C-N 3.32Å; R258-S260 PolarHBondContact O-N 2.76Å; S260-E262 VanDerWaalsContact C-N 3.29Å; S260-E262 PolarHBondContact O-N 2.73Å; S260-L263 PolarHBondContact O-N 3.23Å; S260-L263 VanDerWaalsContact O-N 3.16Å; S260-E264 PolarHBondContact O-N 2.83Å; S260-E264 VanDerWaalsContact O-N 3.15Å
261T75.9Confident73.5Confident78 Ų78113.5 Ų113.548%0.47958%0.575SS.*Hα-helixtrans-62.2-33.6-178.750.90000113.2K257 R258 E264 E265K257-T261 PolarHBondContact O-N 2.89Å; K257-T261 VanDerWaalsContact O-N 3.1Å; K257-T261 PolarHBondContact O-OG1 3.49Å; R258-T261 WeakPolarHBondContact CA-OG1 3.46Å; R258-T261 PolarHBondContact O-N 3.21Å; R258-T261 PolarHBondContact O-OG1 3.42Å; T261-E264 PolarHBondContact O-N 3.34Å; T261-E265 WeakPolarHBondContact O-CB 3.42Å; T261-E265 PolarHBondContact O-N 2.93Å
262E76.9Confident74.8Confident101 Ų101111.1 Ų111.147%0.47256%0.564SS.*Hα-helixtrans-71.1-31.4178.5-158.6-162.1133.500112.7R258 S260 K266R258-E262 PolarHBondContact O-N 2.83Å; S260-E262 VanDerWaalsContact C-N 3.29Å; S260-E262 PolarHBondContact O-N 2.73Å; E262-K266 WeakPolarHBondContact O-CB 3.4Å; E262-K266 WeakPolarHBondContact O-CD 3.3Å; E262-K266 VanDerWaalsContact O-CG 3.3Å; E262-K266 WeakPolarHBondContact O-CG 3.48Å; E262-K266 PolarHBondContact O-N 3.28Å; E262-K266 WeakPolarHBondContact OE1-CE 3.23Å; E262-K266 IonicContact OE1-NZ 2.59Å; E262-K266 PolarHBondContact OE1-NZ 3.18Å
263L78.4Confident76Confident122 Ų122111.2 Ų111.264%0.63956%0.562SS**Hα-helixtrans-71.2-41.8174.2-77.6168.9000111.4K259 S260 K266 A267K259-L263 PolarHBondContact O-N 2.67Å; S260-L263 PolarHBondContact O-N 3.23Å; S260-L263 VanDerWaalsContact O-N 3.16Å; L263-K266 PolarHBondContact O-N 3.24Å; L263-A267 PolarHBondContact O-N 3.39Å
264E79.4Confident77.1Confident139 Ų139114.9 Ų114.965%0.6557%0.573SS**Hα-helixtrans-66-43.5177.9-167.4169.2-16700111.9S260 T261 K266 A267 A268S260-E264 PolarHBondContact O-N 2.83Å; S260-E264 VanDerWaalsContact O-N 3.15Å; T261-E264 PolarHBondContact O-N 3.34Å; E264-K266 VanDerWaalsContact C-N 3.29Å; E264-K266 PolarHBondContact O-N 2.88Å; E264-A267 WeakPolarHBondContact O-CB 3.5Å; E264-A267 PolarHBondContact O-N 3.1Å; E264-A267 VanDerWaalsContact O-N 3.12Å; E264-A268 PolarHBondContact O-N 3.31Å
265E78.9Confident78.2Confident105 Ų105116.6 Ų116.649%0.49158%0.579SS.*Hα-helixtrans-62.2-36.3174-159.4-159.3135.800112T261 K269T261-E265 WeakPolarHBondContact O-CB 3.42Å; T261-E265 PolarHBondContact O-N 2.93Å; E265-K269 HydrophobicContact CG-CD 4.5Å; E265-K269 WeakPolarHBondContact O-CB 3.31Å; E265-K269 WeakPolarHBondContact O-CG 3.24Å; E265-K269 PolarHBondContact O-N 2.91Å; E265-K269 VanDerWaalsContact OE1-CE 3.26Å; E265-K269 WeakPolarHBondContact OE1-CE 3.35Å; E265-K269 IonicContact OE1-NZ 2.87Å; E265-K269 PolarHBondContact OE1-NZ 3.12Å
266K84Confident79.1Confident115 Ų115115.3 Ų115.350%0.558%0.575SS.*Hα-helixtrans-69.5-32.7174.2-81.5170173.1168.50112.9E262 L263 E264 R270E262-K266 WeakPolarHBondContact O-CB 3.4Å; E262-K266 WeakPolarHBondContact O-CD 3.3Å; E262-K266 VanDerWaalsContact O-CG 3.3Å; E262-K266 WeakPolarHBondContact O-CG 3.48Å; E262-K266 PolarHBondContact O-N 3.28Å; E262-K266 WeakPolarHBondContact OE1-CE 3.23Å; E262-K266 IonicContact OE1-NZ 2.59Å; E262-K266 PolarHBondContact OE1-NZ 3.18Å; L263-K266 PolarHBondContact O-N 3.24Å; E264-K266 VanDerWaalsContact C-N 3.29Å; E264-K266 PolarHBondContact O-N 2.88Å; K266-R270 WeakPolarHBondContact O-CG 3.37Å; K266-R270 PolarHBondContact O-N 2.87Å
267A85Confident80Confident60 Ų60118.9 Ų118.950%0.49658%0.577SS.*Hα-helixtrans-68.7-50.7172.800000111L263 E264 K269 R270 A271L263-A267 PolarHBondContact O-N 3.39Å; E264-A267 WeakPolarHBondContact O-CB 3.5Å; E264-A267 PolarHBondContact O-N 3.1Å; E264-A267 VanDerWaalsContact O-N 3.12Å; A267-K269 VanDerWaalsContact C-N 3.33Å; A267-K269 PolarHBondContact O-N 3.35Å; A267-R270 WeakPolarHBondContact O-CB 3.35Å; A267-R270 PolarHBondContact O-N 3.46Å; A267-A271 PolarHBondContact O-N 3.45Å
268A83.9Confident80.6Confident59 Ų59118.5 Ų118.549%0.48858%0.575SS.*Hα-helixtrans-57.4-43.2177.600000112.4E264 R270 A271 A272E264-A268 PolarHBondContact O-N 3.31Å; A268-R270 VanDerWaalsContact C-N 3.27Å; A268-R270 PolarHBondContact O-N 3.31Å; A268-A271 PolarHBondContact O-N 3.41Å; A268-A272 PolarHBondContact O-N 2.79Å
269K84.8Confident81Confident135 Ų135115.3 Ų115.359%0.58757%0.569SS**Hα-helixtrans-67.1-20175.4-81.2175.4170.6171.20114.6E265 A267 K273E265-K269 HydrophobicContact CG-CD 4.5Å; E265-K269 WeakPolarHBondContact O-CB 3.31Å; E265-K269 WeakPolarHBondContact O-CG 3.24Å; E265-K269 PolarHBondContact O-N 2.91Å; E265-K269 VanDerWaalsContact OE1-CE 3.26Å; E265-K269 WeakPolarHBondContact OE1-CE 3.35Å; E265-K269 IonicContact OE1-NZ 2.87Å; E265-K269 PolarHBondContact OE1-NZ 3.12Å; A267-K269 VanDerWaalsContact C-N 3.33Å; A267-K269 PolarHBondContact O-N 3.35Å; K269-K273 WeakPolarHBondContact O-CB 3.48Å
270R84.6Confident81.5Confident204 Ų204114.8 Ų114.877%0.7757%0.567SS**Hα-helixtrans-79.8-49.2170.5-76.9178.4174.3-164.1-1.7110.8K266 A267 A268 A272 K273 E274K266-R270 WeakPolarHBondContact O-CG 3.37Å; K266-R270 PolarHBondContact O-N 2.87Å; A267-R270 WeakPolarHBondContact O-CB 3.35Å; A267-R270 PolarHBondContact O-N 3.46Å; A268-R270 VanDerWaalsContact C-N 3.27Å; A268-R270 PolarHBondContact O-N 3.31Å; R270-A272 PolarHBondContact O-N 2.88Å; R270-K273 PolarHBondContact O-N 3.2Å; R270-K273 VanDerWaalsContact O-N 3.14Å; R270-E274 PolarHBondContact O-N 2.94Å; R270-E274 VanDerWaalsContact O-N 3.1Å
271A84Confident81.8Confident62 Ų62116.9 Ų116.951%0.51257%0.568SS.*Hα-helixtrans-55.6-53.6178.800000112.3A267 A268 K273 E274 E275A267-A271 PolarHBondContact O-N 3.45Å; A268-A271 PolarHBondContact O-N 3.41Å; A271-K273 PolarHBondContact O-N 2.87Å; A271-K273 VanDerWaalsContact O-N 3.11Å; A271-E274 PolarHBondContact O-N 2.73Å; A271-E275 PolarHBondContact O-N 2.86Å
272A83.7Confident82Confident54 Ų54121 Ų12145%0.44658%0.58SS.*Hα-helixtrans-60.2-26.9179.800000113.6A268 R270 Q276A268-A272 PolarHBondContact O-N 2.79Å; R270-A272 PolarHBondContact O-N 2.88Å; A272-Q276 PolarHBondContact O-N 3Å
273K85.3Confident82.1Confident161 Ų161121.6 Ų121.670%0.758%0.582SS**Hα-helixtrans-82.5-27.4178.8-164.1175.6-176-177.40112.7K269 R270 A271 R277K269-K273 WeakPolarHBondContact O-CB 3.48Å; R270-K273 PolarHBondContact O-N 3.2Å; R270-K273 VanDerWaalsContact O-N 3.14Å; A271-K273 PolarHBondContact O-N 2.87Å; A271-K273 VanDerWaalsContact O-N 3.11Å; K273-R277 PolarHBondContact O-N 3.1Å
274E82.8Confident82.1Confident110 Ų110123.4 Ų123.451%0.51459%0.585SS.*Hα-helixtrans-73.6-40.5170.1-165.6-174.6133.400111.2R270 A271 R277 K278R270-E274 PolarHBondContact O-N 2.94Å; R270-E274 VanDerWaalsContact O-N 3.1Å; A271-E274 PolarHBondContact O-N 2.73Å; E274-R277 WeakPolarHBondContact O-CA 3.18Å; E274-R277 WeakPolarHBondContact O-CB 3.43Å; E274-R277 PolarHBondContact O-N 3.39Å; E274-K278 PolarHBondContact O-N 3.06Å; E274-K278 WeakPolarHBondContact OE1-CE 3.48Å; E274-K278 IonicContact OE1-NZ 2.64Å; E274-K278 PolarHBondContact OE1-NZ 2.97Å
275E80.7Confident82Confident128 Ų128121.7 Ų121.760%0.59858%0.577SS**Hα-helixtrans-64.8-44.4179.8-168.3161.1-136.600112.4A271 R277 K278 Q279A271-E275 PolarHBondContact O-N 2.86Å; E275-R277 PolarHBondContact O-N 3.38Å; E275-K278 PolarHBondContact O-N 3.1Å; E275-Q279 PolarHBondContact O-N 3.36Å
276Q81.2Confident81.8Confident128 Ų128120.7 Ų120.760%0.59858%0.578SS**Hα-helixtrans-59.4-30.4169.9-77.9-168.1400113.4A272 K280A272-Q276 PolarHBondContact O-N 3Å; Q276-K280 PolarHBondContact O-N 3.38Å; Q276-K280 VanDerWaalsContact O-N 3.13Å
277R86.4Confident81.4Confident177 Ų177121.5 Ų121.567%0.66858%0.582SS**Hα-helixtrans-71.1-46.4177.6-172.1177.5172.8-178.1-2.8110.6K273 E274 E275 Q279 K280 E281K273-R277 PolarHBondContact O-N 3.1Å; E274-R277 WeakPolarHBondContact O-CA 3.18Å; E274-R277 WeakPolarHBondContact O-CB 3.43Å; E274-R277 PolarHBondContact O-N 3.39Å; E275-R277 PolarHBondContact O-N 3.38Å; R277-Q279 VanDerWaalsContact C-N 3.32Å; R277-Q279 PolarHBondContact O-N 2.94Å; R277-K280 PolarHBondContact O-N 3.37Å; R277-E281 PolarHBondContact O-N 3.17Å
278K83.3Confident80.8Confident120 Ų120125.4 Ų125.452%0.52259%0.587SS.*Hα-helixtrans-61-36.9174.9-75.3170.1172.6163.20112.5E274 E275 K282E274-K278 PolarHBondContact O-N 3.06Å; E274-K278 WeakPolarHBondContact OE1-CE 3.48Å; E274-K278 IonicContact OE1-NZ 2.64Å; E274-K278 PolarHBondContact OE1-NZ 2.97Å; E275-K278 PolarHBondContact O-N 3.1Å; K278-K282 PolarHBondContact O-N 3.32Å
279Q78.6Confident80Confident132 Ų132128.5 Ų128.562%0.61759%0.592SS**Hα-helixtrans-65.1-46.8173.5-73.7-177-9.200112.7E275 R277 E281 K282 E283E275-Q279 PolarHBondContact O-N 3.36Å; R277-Q279 VanDerWaalsContact C-N 3.32Å; R277-Q279 PolarHBondContact O-N 2.94Å; Q279-E281 VanDerWaalsContact C-N 3.26Å; Q279-E281 PolarHBondContact O-N 3.11Å; Q279-K282 PolarHBondContact O-N 3.33Å; Q279-E283 PolarHBondContact O-N 2.89Å
280K80.4Confident79Confident144 Ų144128.5 Ų128.563%0.62659%0.594SS**Hα-helixtrans-65.9-25.5177.8-83.2-173.7171.6179.50114.3Q276 R277 K284Q276-K280 PolarHBondContact O-N 3.38Å; Q276-K280 VanDerWaalsContact O-N 3.13Å; R277-K280 PolarHBondContact O-N 3.37Å; K280-K284 WeakPolarHBondContact O-CG 3.23Å; K280-K284 PolarHBondContact O-N 3.19Å
281E79.7Confident78Confident121 Ų121125.6 Ų125.657%0.56559%0.593SS**Hα-helixtrans-71.6-46.2174.7-151.6141-118.300110.5R277 Q279 E283 K284 E285R277-E281 PolarHBondContact O-N 3.17Å; Q279-E281 VanDerWaalsContact C-N 3.26Å; Q279-E281 PolarHBondContact O-N 3.11Å; E281-E283 PolarHBondContact O-N 3.38Å; E281-K284 PolarHBondContact O-N 3.18Å; E281-E285 PolarHBondContact O-N 2.89Å
282K80.8Confident76.8Confident165 Ų165127.4 Ų127.472%0.71760%0.597SS**Hα-helixtrans-62.6-40.6173.5-70.1-172.2176.6-171.20113.4K278 Q279 K284 E285 V286K278-K282 PolarHBondContact O-N 3.32Å; Q279-K282 PolarHBondContact O-N 3.33Å; K282-K284 VanDerWaalsContact C-N 3.29Å; K282-K284 PolarHBondContact O-N 3.39Å; K282-E285 PolarHBondContact O-N 3.4Å; K282-V286 PolarHBondContact O-N 3.42Å
283E78.3Confident75.7Confident112 Ų112132.4 Ų132.452%0.52361%0.612SS.*Hα-helixtrans-61.4-38.8177.3-161.8-153.4144.900111.6Q279 E281 K287Q279-E283 PolarHBondContact O-N 2.89Å; E281-E283 PolarHBondContact O-N 3.38Å; E283-K287 WeakPolarHBondContact O-CB 3.37Å; E283-K287 PolarHBondContact O-N 3.32Å; E283-K287 IonicContact OE1-NZ 2.73Å; E283-K287 PolarHBondContact OE1-NZ 2.96Å
284K78.3Confident74.4Confident160 Ų160134.3 Ų134.370%0.69662%0.62SS**Hα-helixtrans-65-39.7178-82.6-177.1170.7-170.70113K280 E281 K282 K287 K288K280-K284 WeakPolarHBondContact O-CG 3.23Å; K280-K284 PolarHBondContact O-N 3.19Å; E281-K284 PolarHBondContact O-N 3.18Å; K282-K284 VanDerWaalsContact C-N 3.29Å; K282-K284 PolarHBondContact O-N 3.39Å; K284-K287 PolarHBondContact O-N 3.49Å; K284-K288 WeakPolarHBondContact O-CB 3.44Å; K284-K288 PolarHBondContact O-N 3.05Å
285E76.9Confident72.8Confident103 Ų103138 Ų13848%0.48163%0.634SS.*Hα-helixtrans-67.5-46.3-177.4-154.957.9-136.800111.4E281 K282 K287 K288 Q289E281-E285 PolarHBondContact O-N 2.89Å; K282-E285 PolarHBondContact O-N 3.4Å; E285-K287 VanDerWaalsContact C-N 3.3Å; E285-K287 PolarHBondContact O-N 3.47Å; E285-K288 WeakPolarHBondContact O-CB 3.31Å; E285-K288 PolarHBondContact O-N 3.05Å; E285-K288 VanDerWaalsContact O-N 3.11Å; E285-Q289 PolarHBondContact O-N 3.46Å
286V75.7Confident71.4Confident84 Ų84138 Ų13851%0.50964%0.643SS.*Hα-helixtrans-57.5-43.9175175.50000111.4K282 K288 Q289 Q290K282-V286 PolarHBondContact O-N 3.42Å; V286-K288 VanDerWaalsContact C-N 3.25Å; V286-K288 PolarHBondContact O-N 3.29Å; V286-Q289 PolarHBondContact O-N 3.27Å; V286-Q290 PolarHBondContact O-N 2.9Å
287K74.5Confident70Confident133 Ų133139.6 Ų139.658%0.57865%0.654SS**Hα-helixtrans-70.2-21.9-179.1-146.6168-146.1152.40113.3E283 K284 E285E283-K287 WeakPolarHBondContact O-CB 3.37Å; E283-K287 PolarHBondContact O-N 3.32Å; E283-K287 IonicContact OE1-NZ 2.73Å; E283-K287 PolarHBondContact OE1-NZ 2.96Å; K284-K287 PolarHBondContact O-N 3.49Å; E285-K287 VanDerWaalsContact C-N 3.3Å; E285-K287 PolarHBondContact O-N 3.47Å
288K73.1Confident68Low142 Ų142140.1 Ų140.162%0.61766%0.664SS**Hα-helixtrans-79.1-42.3173.5-163-177.1179.9-166.80111.1K284 E285 V286 L291 T292K284-K288 WeakPolarHBondContact O-CB 3.44Å; K284-K288 PolarHBondContact O-N 3.05Å; E285-K288 WeakPolarHBondContact O-CB 3.31Å; E285-K288 PolarHBondContact O-N 3.05Å; E285-K288 VanDerWaalsContact O-N 3.11Å; V286-K288 VanDerWaalsContact C-N 3.25Å; V286-K288 PolarHBondContact O-N 3.29Å; K288-L291 PolarHBondContact O-N 2.91Å; K288-T292 PolarHBondContact O-OG1 2.92Å
289Q66.3Low65.9Low124 Ų124145.8 Ų145.858%0.57968%0.683SS**Hα-helixtrans-61.3-48.4178.1-70.3179.6-3.600112E285 V286 L291 T292E285-Q289 PolarHBondContact O-N 3.46Å; V286-Q289 PolarHBondContact O-N 3.27Å; Q289-L291 PolarHBondContact O-N 3.33Å; Q289-L291 VanDerWaalsContact O-N 3.12Å; Q289-T292 WeakPolarHBondContact O-CB 3.42Å; Q289-T292 PolarHBondContact O-N 3.07Å; Q289-T292 PolarHBondContact O-OG1 3.47Å
290Q64.9Low64.1Low134 Ų134144.4 Ų144.463%0.62669%0.687SS**Hα-helixtrans-59.9-23.8178.6-73.2-174.2-10.500114.8V286 T292V286-Q290 PolarHBondContact O-N 2.9Å; Q290-T292 VanDerWaalsContact C-N 3.27Å
291L63.5Low62.2Low143 Ų143144.1 Ų144.175%0.74970%0.698SS**Hα-helixtrans-77.3-16177.1-158.970.3000112.5K288 Q289K288-L291 PolarHBondContact O-N 2.91Å; Q289-L291 PolarHBondContact O-N 3.33Å; Q289-L291 VanDerWaalsContact O-N 3.12Å
292T58.1Low60.6Low100 Ų100144.1 Ų144.161%0.61371%0.706SS**Hα-helixtrans-81.4-39.1-177.2-22.40000112.3K288 Q289 Q290K288-T292 PolarHBondContact O-OG1 2.92Å; Q289-T292 WeakPolarHBondContact O-CB 3.42Å; Q289-T292 PolarHBondContact O-N 3.07Å; Q289-T292 PolarHBondContact O-OG1 3.47Å; Q290-T292 VanDerWaalsContact C-N 3.27Å
293E60.7Low58.6Low160 Ų160142.5 Ų142.575%0.74871%0.705SS**Hα-helixtrans-72.2-32.9-175.8-64.9-179.9122.100112.6K295E293-K295 PolarHBondContact O-N 3.13Å
294K57.6Low56.7Low200 Ų200143.8 Ų143.887%0.8772%0.716SS**THydrogen-bonded Turntrans-78.732.3-172.9-148.8-177.2-178.4178.80114.8
295K50.6Low54.8Low188 Ų188141.9 Ų141.982%0.81772%0.717SS**THydrogen-bonded Turntrans-133.312.7-175.8-147.2-171.9175.9-174.80115.2E293E293-K295 PolarHBondContact O-N 3.13Å
296V50.7Low53.1Low129 Ų129141.6 Ų141.678%0.78273%0.727SS**SBendtrans-122.1-14.1-170.3-178.30000114.3
297L51.9Low51.4Low160 Ų160143.1 Ų143.184%0.83874%0.737SS**SBendtrans-122.2159.7-174.8-147.565.2000112.8
298E43.6Very low50Low188 Ų188144.4 Ų144.488%0.87975%0.748SS**  trans69.975.5-178.6-58.2-171.615200115.9
299R40.1Very low48.5Very low240 Ų240143.3 Ų143.391%0.90675%0.753SS**  trans-111.2165.3150.2-94.3-175171.5-169-2.8109.5
300S41.4Very low47.3Very low102 Ų102143.3 Ų143.371%0.71376%0.764SS**  trans61.7102.4161.658.50000120.2
301T40.7Very low46.4Very low139 Ų139146 Ų14685%0.85378%0.776SS**  -168.9121.7125.230.70000106.7
302V46.1Very low45.2Very low120 Ų120145.2 Ų145.273%0.72778%0.778SS**  cis77.8117.527.3-172.40000113
303D38.1Very low44.3Very low131 Ų131144.3 Ų144.370%0.70178%0.78SS**  cis-167.3177.8-20.6-135-69000111.9
304N37.4Very low43.2Very low140 Ų140147.9 Ų147.975%0.74979%0.787SS**  trans163115147.8-94.5-65.9000112.7
305T38.6Very low42.7Very low119 Ų119144.3 Ų144.373%0.7378%0.782SS**  77.1122.293.5-55.80000114.4
306S42.6Very low42.1Very low98 Ų98141.3 Ų141.369%0.68578%0.781SS**  cis-151.4140.513.2-141.20000114.2
307T38.7Very low41.5Very low116 Ų116140.3 Ų140.371%0.71279%0.787SS**  38.1116.9127-29.10000119.3
308I44.9Very low40.9Very low160 Ų160136.3 Ų136.382%0.82178%0.784SS**  176.3154.791.8-85.1175000107.7
309V43Very low41Very low119 Ų119133.2 Ų133.272%0.72178%0.78SS**  cis-160.1141.9-30.7152.30000106
310P39.8Very low40.8Very low123 Ų123127.3 Ų127.380%0.79978%0.775SS**  trans-120.9158.3177.840.1-29.7000115.8
311E46.4Very low40.8Very low190 Ų190130.8 Ų130.889%0.88878%0.78SS**  trans-140.9152.5167.2-167166.2-178.400114.4
312T37.7Very low40.6Very low128 Ų128131.8 Ų131.879%0.78578%0.775SS**  trans-64.8171.8176.37.20000114.8
313A39.4Very low40Very low80 Ų80133.8 Ų133.866%0.66178%0.78SS**  cis-164.8152.611.300000115.7
314R38.2Very low40Very low236 Ų236133.3 Ų133.389%0.89179%0.787SS**  75.8155.8128.1-149.7-177.4-164.8174.94.8122.9
315V46.3Very low39.6Very low125 Ų125132.5 Ų132.576%0.75879%0.793SS**  trans90.1120161-168.90000119.5
316P38.1Very low39.5Very low125 Ų125131.3 Ų131.381%0.81280%0.795SS**  trans-130.9133.3155.336.7-22.6000114.6
317A38.7Very low39.1Very low108 Ų108135 Ų13589%0.89380%0.799SS**  trans-175.5149.2159.400000112.1
318G38.3Very low39Very low76 Ų76136.2 Ų136.278%0.78480%0.796SS**  trans150.7130.7170.900000114.5
319P47.3Very low38.3Very low122 Ų122134.7 Ų134.779%0.79279%0.794SS**  trans-128.3158.9-161.342.2-28.4000119.2
320S35Very low37.8Very low116 Ų116134.8 Ų134.881%0.81179%0.791SS**  trans40.3132.7138.8-56.40000123.9
321Q40.7Very low37.6Very low175 Ų175139 Ų13982%0.81879%0.791SS**  trans-156.4145.7140.3-114.6167.217.700114
322Q38.4Very low37Very low160 Ų160135.5 Ų135.575%0.74879%0.788SS**  trans28.8133.9159.3-68.7155.7-42.100121.3
323I32.1Very low36.5Very low162 Ų162136.7 Ų136.783%0.83179%0.788SS**  cis79106.128.2-51.2171000116
324S37.9Very low36.1Very low121 Ų121139.2 Ų139.285%0.84680%0.795SS**  trans-172.7165.7133.950.10000110.9
325S29.1Very low35.5Very low124 Ų124133.8 Ų133.887%0.86779%0.787SS**  trans-163.8140.6-16659.50000116.4
326A36.9Very low34.9Very low93 Ų93133 Ų13377%0.76979%0.785SS**  trans-151147.2158.900000108
327K33.8Very low34.3Very low176 Ų176133.1 Ų133.177%0.76578%0.783SS**  cis62134.145.2-76.4-167.5155.1-143.60112.7
328E36Very low33.9Very low141 Ų141135.3 Ų135.366%0.65978%0.779SS**  cis-149.41366.5-112.1155.1-174.100106.9
329T31.7Very low33.5Very low128 Ų128138.8 Ų138.879%0.78578%0.778SS**  96.5127.778.3-67.70000115.4
330D31.5Very low32.5Very low121 Ų121138.1 Ų138.165%0.64777%0.771SS**  trans91.6154.6156.5-144.37.9000121.7
331R36.6Very low32.3Very low212 Ų212138.4 Ų138.480%0.877%0.771SS**  trans74.896.7159.2-79.6157-138-139.7-3.6122.6
332S32.3Very low31.9Very low117 Ų117134.9 Ų134.982%0.81875%0.75SS**  105.2150.7108.6-153.60000118.9
333I27.8Very low31.8Very low153 Ų153131.8 Ų131.879%0.78574%0.744SS**  trans-96.9127-174.9-61.4160.4000109.2
334T31.7Very low31.8Very low133 Ų133130.5 Ų130.582%0.81674%0.743SS**  trans-142.5140160.2-52.30000109
335V25.1Very low31.6Very low121 Ų121131 Ų13173%0.73374%0.742SS**  trans-104.6122.8-179.1-164.20000109.4
336P34.3Very low31.8Very low108 Ų108128.9 Ų128.970%0.70174%0.74SS**  trans-84.9115.5172.131.5-30.3000110.7
337V24.8Very low31.4Very low129 Ų129132 Ų13278%0.78274%0.741SS**  trans-77.2133.3154.6173.90000107.1
338L30.4Very low31.3Very low153 Ų153132.4 Ų132.480%0.80175%0.746SS**  trans-112.2135.6168.7-121.479.9000110.5
339I29.8Very low31Very low150 Ų150136.1 Ų136.177%0.76976%0.756SS**  trans-102.1139178.6-62.2169.7000107.7
340V27.4Very low31.3Very low107 Ų107135.2 Ų135.265%0.64875%0.752SS**  trans-112.4122.7-178178.40000110.9
341P30.3Very low31.2Very low122 Ų122134.8 Ų134.879%0.79276%0.759SS**  trans-95.5154.4160.435-29.5000112.3
342R31Very low31.2Very low102 Ų102129.8 Ų129.839%0.38576%0.756SS.*  trans-152.2162.8-175.4174-170.7168.695.2-1.6107.1D84 D110D84-R342 IonicContact OD1-NH2 3.4Å; D84-R342 IonicContact OD2-CZ 3.55Å; D84-R342 VanDerWaalsContact OD2-CZ 3.22Å; D84-R342 IonicContact OD2-NE 3.1Å; D84-R342 PolarHBondContact OD2-NE 3.04Å; D84-R342 IonicContact OD2-NH2 3.36Å; D84-R342 PolarHBondContact OD2-NH2 3.45Å; D110-R342 VanDerWaalsContact CG-NH1 3.29Å; D110-R342 IonicContact OD1-CZ 3.79Å; D110-R342 IonicContact OD1-NH1 3.7Å; D110-R342 PolarHBondContact OD1-NH1 3.21Å; D110-R342 IonicContact OD1-NH2 2.86Å; D110-R342 PolarHBondContact OD1-NH2 2.87Å; D110-R342 IonicContact OD2-CZ 3.91Å; D110-R342 IonicContact OD2-NH1 3.03Å; D110-R342 PolarHBondContact OD2-NH1 3.46Å; D110-R342 IonicContact OD2-NH2 2.94Å
343P37.1Very low31Very low95 Ų95131.4 Ų131.462%0.61776%0.755SS**  cis-120.2-169.3-3536.3-20.5000111.4
344T33Very low31.1Very low134 Ų134129.4 Ų129.482%0.82275%0.75SS**  trans-152.8111138.7-15.30000113.2
345T33.9Very low31.1Very low132 Ų132131.7 Ų131.781%0.8175%0.751SS**  trans4.5135.5156.755.40000122.4
346G32.2Very low31.2Very low80 Ų80133.7 Ų133.783%0.82575%0.753SS**  trans-166.5136.9153.500000110.6
347I29.9Very low31Very low157 Ų157140.7 Ų140.781%0.80577%0.765SS**  trans-129.6136.1-170.4-64.4167.3000110.4
348E31.4Very low31.1Very low186 Ų186140.1 Ų140.187%0.86976%0.762SS**  trans-172161.7139.1-107.1165.6-16000113.4
349Y29.4Very low31.2Very low219 Ų219137.4 Ų137.486%0.85976%0.762SS**  trans-161.4175.3-165.3-93-68.4000108.5
350P36.9Very low31.2Very low109 Ų109137.4 Ų137.471%0.70876%0.763SS**  cis-133.5-155.5-23.337.2-16.9000112.3
351S30.8Very low31.3Very low112 Ų112138.1 Ų138.178%0.78377%0.77SS**  trans98.5141.3165.1-470000115.8
352S36Very low31.3Very low106 Ų106139 Ų13974%0.74177%0.773SS**  cis-159.4131.8-0.451.10000114.9
353N27.5Very low31.2Very low152 Ų152143.7 Ų143.781%0.81380%0.796SS**  69.1160.7126.2-151.815.5000123
354V31.1Very low30.8Very low111 Ų111144.8 Ų144.867%0.67380%0.803SS**  trans77101.8164.3-1670000119.1
355E30.7Very low30.5Very low180 Ų180145.2 Ų145.284%0.84180%0.799SS**  178.315597.5-170.963.4143.300111.7
356Q27.1Very low30.2Very low164 Ų164143.7 Ų143.777%0.76680%0.801SS**  trans-125.2132.5-166.9178.5-175.2-0.300113.9
357R30.8Very low30Very low254 Ų254142.9 Ų142.996%0.95879%0.792SS**  trans-153.1155.3160.7-119.7171.4-171-170.32115.1
358V27.1Very low30Very low117 Ų117141.7 Ų141.771%0.70979%0.794SS**  trans-121.1140.6-159.5176.50000112.4
359A31.4Very low29.9Very low97 Ų97137 Ų13780%0.80278%0.775SS**  trans-149.2155.5162.100000111.1
360N31.1Very low29.8Very low149 Ų149129.5 Ų129.580%0.79775%0.752SS**  trans-95.2157.9-163.6-79.4-42.4000115.4
361P27.9Very low29.4Very low123 Ų123128 Ų12880%0.79974%0.74SS**  trans-91.1159.5-168.836.1-37.6000115.5
362V31.9Very low29.2Very low139 Ų139124.4 Ų124.484%0.84272%0.717SS**  trans-130.4138.5176.1-179.20000111
363K28.4Very low29Very low202 Ų202123.5 Ų123.588%0.87870%0.698SS**  trans-104.2142.7173.2-63.8176-179.8174.10110.4
364P28.2Very low29.2Very low118 Ų118120 Ų12077%0.76669%0.685SS**  -142.4137.4109.830.3-12.5000113.1
365L27.7Very low29.3Very low142 Ų142116.2 Ų116.274%0.74366%0.661SS**  74.1132.587.3-16271.6000114.4
366A27.3Very low29.3Very low101 Ų101110.5 Ų110.584%0.83564%0.638SS**  trans-130.5155.2-176.900000112.3
367G27.5Very low29.7Very low63 Ų63105.3 Ų105.365%0.64962%0.615SS**  trans-151.3144.7175.900000112.3
368P30.1Very low29.8Very low131 Ų131100.6 Ų100.685%0.85161%0.61SS**  trans-90.7167.6-16936-37000114.9
369I28.5Very low30Very low88 Ų8899 Ų9945%0.45162%0.617SS.*  trans-109.4138.9-174.1-70.1115.7000112V140 V144 M148V140-I369 HydrophobicContact CB-CG2 4.34Å; V140-I369 HydrophobicContact CG1-CG2 3.4Å; V140-I369 VanDerWaalsContact CG1-CG2 3.4Å; V144-I369 HydrophobicContact CG1-CB 4.45Å; V144-I369 HydrophobicContact CG1-CG1 3.82Å; V144-I369 HydrophobicContact CG1-CG2 3.93Å; M148-I369 HydrophobicContact CG-CD1 4.21Å; M148-I369 HydrophobicContact CG-CG1 4.38Å; M148-I369 HydrophobicContact SD-CB 4.49Å; M148-I369 HydrophobicContact SD-CD1 3.5Å; M148-I369 VanDerWaalsContact SD-CD1 3.5Å; M148-I369 HydrophobicContact SD-CG1 3.62Å; M148-I369 HydrophobicContact SD-CG2 4.27Å
370V27.1Very low29.9Very low62 Ų62102.3 Ų102.338%0.37661%0.613SS.*  trans-91.2147.8-176.71750000112L386V370-L386 HydrophobicContact CG1-CB 3.69Å
371V29.3Very low29.8Very low76 Ų7699.3 Ų99.346%0.46160%0.604SS.*  trans-127.7129.7-176157.70000111.9Y139Y139-V371 HydrophobicContact CD1-CG1 4.16Å; Y139-V371 HydrophobicContact CD2-CB 4.29Å; Y139-V371 HydrophobicContact CD2-CG1 3.45Å; Y139-V371 VanDerWaalsContact CD2-CG1 3.45Å; Y139-V371 HydrophobicContact CD2-CG2 4.06Å; Y139-V371 HydrophobicContact CE1-CG1 4.49Å; Y139-V371 HydrophobicContact CE2-CG1 3.86Å; Y139-V371 HydrophobicContact CG-CB 4.29Å; Y139-V371 HydrophobicContact CG-CG1 3.63Å; Y139-V371 HydrophobicContact CG-CG2 4.3Å
372A26.9Very low29.8Very low38 Ų3895.9 Ų95.931%0.31459%0.586SS.*  trans-128.8109-176.100000114.6Y139Y139-A372 VanDerWaalsContact CD1-O 3.31Å; Y139-A372 WeakPolarHBondContact CD1-O 3.1Å; Y139-A372 PolarHBondContact O-N 3.36Å
373R31.9Very low29.7Very low87 Ų8795 Ų9533%0.32858%0.575SS.*  trans-79.9144.9167.7-74.6172.896.5157.3-2.7111Y139 E466Y139-R373 HydrophobicContact CE1-CG 3.66Å; Y139-R373 WeakPolarHBondContact OH-CG 3.46Å; R373-E466 IonicContact CZ-OE1 3.19Å; R373-E466 IonicContact NH2-OE1 2.64Å; R373-E466 PolarHBondContact NH2-OE1 3.07Å
374S30.6Very low29.7Very low79 Ų7988.1 Ų88.155%0.55255%0.547SS*.EExtended strand (participates in β ladder)trans-97.8138.9173.3-170.20000110.5
375L33.1Very low29.6Very low31 Ų3192 Ų9216%0.16255%0.547CS..EExtended strand (participates in β ladder)trans-131.4136175.1-68.9171.5000110.3A382 I476 L478 L495L375-A382 PolarHBondContact O-N 2.91Å; L375-A382 VanDerWaalsContact O-N 3.08Å; L375-I476 HydrophobicContact CD2-CD1 4.38Å; L375-L478 HydrophobicContact CD1-CD1 4.21Å; L375-L478 HydrophobicContact CD1-CD2 3.93Å; L375-L495 HydrophobicContact CD1-CD2 3.59Å
376T31.7Very low29.5Very low59 Ų5987.9 Ų87.936%0.36253%0.525SS..EExtended strand (participates in β ladder)trans-93.8124171350000110.5S381T376-S381 WeakPolarHBondContact CG2-OG 3.41Å
377L35Very low29.5Very low55 Ų5588.3 Ų88.329%0.28852%0.522SS..EExtended strand (participates in β ladder)trans-130.1124177.8-15980.2000109.3G379 K380 A464 L478L377-G379 VanDerWaalsContact C-N 3.29Å; L377-G379 PolarHBondContact O-N 3.24Å; L377-K380 PolarHBondContact N-O 3.47Å; L377-K380 PolarHBondContact O-N 3.5Å; L377-K380 VanDerWaalsContact O-O 3.08Å; L377-A464 HydrophobicContact CD1-CB 4.16Å; L377-L478 HydrophobicContact CD1-CD1 4.27Å
378N32.9Very low29.6Very low156 Ų15690.6 Ų90.683%0.83452%0.524SS*.THydrogen-bonded Turntrans44.849.5179-61.811000113.7K380N378-K380 PolarHBondContact O-N 2.65Å
379G31.4Very low29.7Very low84 Ų8490.4 Ų90.487%0.86653%0.525SS*.THydrogen-bonded Turntrans73.91.4-179.800000115.8L377L377-G379 VanDerWaalsContact C-N 3.29Å; L377-G379 PolarHBondContact O-N 3.24Å
380K29.5Very low29.6Very low166 Ų16694 Ų9472%0.72254%0.54SS*.EExtended strand (participates in β ladder)trans-115118.9-179.7-63.9175.3-177.2174.50110.1L377 N378L377-K380 PolarHBondContact N-O 3.47Å; L377-K380 PolarHBondContact O-N 3.5Å; L377-K380 VanDerWaalsContact O-O 3.08Å; N378-K380 PolarHBondContact O-N 2.65Å
381S28.9Very low29.5Very low85 Ų8597.3 Ų97.359%0.59456%0.564SS**EExtended strand (participates in β ladder)trans-76.6124.5172.1-52.50000109.9T376T376-S381 WeakPolarHBondContact CG2-OG 3.41Å
382A29.1Very low29.3Very low51 Ų51101.5 Ų101.542%0.42158%0.576SS.*EExtended strand (participates in β ladder)trans-113.4117.6178.800000110.8L375L375-A382 PolarHBondContact O-N 2.91Å; L375-A382 VanDerWaalsContact O-N 3.08Å
383I28.3Very low29.3Very low122 Ų122109.1 Ų109.163%0.62660%0.603SS**EExtended strand (participates in β ladder)trans-95.7113.9172.6-59174.8000108R385I383-R385 PolarHBondContact O-N 2.99Å
384L28.1Very low29Very low56 Ų56110.5 Ų110.529%0.29362%0.621SS.*  trans-86.8105.7172.2-66.585.7000108.3
385R26.8Very low28.9Very low201 Ų201114.6 Ų114.676%0.75864%0.635SS**  trans-80.4151.1169.7-84.1-170.8169.4108.8-3111.4I383I383-R385 PolarHBondContact O-N 2.99Å
386L26.3Very low28.6Very low55 Ų55121 Ų12129%0.28867%0.669SS.*  trans-136139.5177.8-99.8150.7000108.6V370 T409 R410 A411V370-L386 HydrophobicContact CG1-CB 3.69Å; L386-T409 WeakPolarHBondContact CD1-O 3.31Å; L386-R410 HydrophobicContact CG-CG 4.41Å; L386-A411 HydrophobicContact CD2-CB 4.03Å
387S26.8Very low28.6Very low109 Ų109123 Ų12376%0.76268%0.683SS**  trans-155.8133.9-179.750.40000108.8
388T29.1Very low28.3Very low112 Ų112126.4 Ų126.469%0.68770%0.702SS**  trans-133.3123.1179.149.10000109.2
389S32.5Very low28.2Very low126 Ų126122.9 Ų122.988%0.88169%0.694SS**  trans-100.7156.5169.641.80000110.5
390E26.5Very low28.1Very low164 Ų164123.9 Ų123.977%0.76669%0.685SS**  trans-86.5149.2-163.7-55.5175.697.200114.9
391C24.5Very low28.2Very low131 Ų131125.2 Ų125.289%0.88569%0.694SS**  trans-151.6151.9142.8-165.50000109.8
392K24.9Very low28.1Very low164 Ų164126.4 Ų126.471%0.71370%0.702SS**  trans-106.8134.7-164-64.1169.3-179.7168.10113.2
393K27.5Very low28Very low199 Ų199129.2 Ų129.287%0.86571%0.714SS**  trans-169.7123.4138.4-108.7173.9-178-1790113.4
394T26.1Very low28.2Very low115 Ų115129.5 Ų129.571%0.70673%0.727SS**  trans63.3118.4133.4-51.60000121.7
395L27.8Very low28.2Very low165 Ų165132.4 Ų132.486%0.86474%0.739SS**  trans75.8134.5160.4-64.6165.5000120.2
396L26.9Very low28.3Very low165 Ų165125.5 Ų125.586%0.86472%0.719SS**  trans-170.9172.6-172.3-87.7176.3000108.1
397P31.2Very low28.5Very low101 Ų101126.9 Ų126.966%0.65672%0.724SS**  cis-121.6-155.1-29.340.6-22.6000109.3
398N29.6Very low28.9Very low128 Ų128123.6 Ų123.668%0.68470%0.698SS**  cis-157.2164.3-1.3-162.410.3000109.6
399A30.2Very low29.2Very low81 Ų81121.4 Ų121.467%0.66968%0.684SS**  trans-163.9130.3161.100000112.2
400P30Very low29.3Very low105 Ų105119.9 Ų119.968%0.68266%0.659SS**  trans-119.4139.6-177.338.6-27.4000115.6
401H31.6Very low29.5Very low194 Ų194114.9 Ų114.990%0.89865%0.646SS**  trans-135.7171.2167.2-64.3-59.8000112.5
402S26.5Very low30.4Very low110 Ų110110.3 Ų110.377%0.76961%0.614SS**  trans-109.4-166.6-152.563.40000115
403T27.5Very low31.2Very low111 Ų111107 Ų10768%0.68160%0.604SS**SBendtrans71.990.1179.2-42.70000112.5Q405T403-Q405 VanDerWaalsContact C-N 3.29Å; T403-Q405 PolarHBondContact O-N 3.44Å
404S32.4Very low31.8Very low127 Ų127105.4 Ų105.489%0.88860%0.6SS**  trans-60.859.9-154.9-44.40000118T406S404-T406 PolarHBondContact O-N 3Å
405Q28.3Very low32.7Very low117 Ų117102.6 Ų102.655%0.54758%0.582SS.*  trans-65.1121177.6-69-179.73000110.6T403 E407 K496T403-Q405 VanDerWaalsContact C-N 3.29Å; T403-Q405 PolarHBondContact O-N 3.44Å; Q405-E407 PolarHBondContact O-N 3.43Å; Q405-K496 HydrophobicContact CB-CD 4.27Å; Q405-K496 HydrophobicContact CG-CD 4.45Å; Q405-K496 VanDerWaalsContact OE1-CE 3.3Å
406T28.7Very low33.6Very low56 Ų5695.2 Ų95.234%0.34455%0.545SS..  trans-68.695.4178.1-62.50000109.7S404 L408 L495S404-T406 PolarHBondContact O-N 3Å; T406-L408 HydrophobicContact CG2-CD1 3.8Å; T406-L408 PolarHBondContact O-N 3.43Å; T406-L408 VanDerWaalsContact O-N 3.15Å; T406-L495 VanDerWaalsContact O-O 3.13Å
407E30Very low34.5Very low84 Ų8497.4 Ų97.439%0.39354%0.542SS..  trans-77.892.2173.2-72.6-146.7120.800111.2Q405 T409 R483 V494Q405-E407 PolarHBondContact O-N 3.43Å; E407-T409 HydrophobicContact CB-CG2 4.37Å; E407-T409 PolarHBondContact O-N 3.23Å; E407-R483 WeakPolarHBondContact OE1-CD 3.35Å; E407-R483 IonicContact OE1-NE 2.97Å; E407-R483 IonicContact OE2-NE 2.65Å; E407-V494 HydrophobicContact CB-CG1 4.37Å; E407-V494 HydrophobicContact CG-CG1 4.2Å
408L34.7Very low35Very low40 Ų4096.3 Ų96.321%0.20954%0.537CS..EExtended strand (participates in β ladder)trans-73.573.1157.5-104.777.1000109.3T406 R410 V494 L495T406-L408 HydrophobicContact CG2-CD1 3.8Å; T406-L408 PolarHBondContact O-N 3.43Å; T406-L408 VanDerWaalsContact O-N 3.15Å; L408-R410 PolarHBondContact O-N 2.64Å; L408-V494 WeakPolarHBondContact O-CA 3.09Å; L408-L495 HydrophobicContact CB-CB 4.12Å
409T34.9Very low36.3Very low66 Ų6692.4 Ų92.441%0.40553%0.527SS..EExtended strand (participates in β ladder)trans-6992174.926.10000110.7L386 E407 A411 V494L386-T409 WeakPolarHBondContact CD1-O 3.31Å; E407-T409 HydrophobicContact CB-CG2 4.37Å; E407-T409 PolarHBondContact O-N 3.23Å; T409-A411 PolarHBondContact O-N 2.64Å; T409-V494 HydrophobicContact CG2-CG2 3.88Å
410R34.5Very low37.8Very low95 Ų9589.7 Ų89.736%0.35851%0.507SS..EExtended strand (participates in β ladder)trans-84.999.7170.6-169.9165.1-178177.2-0.7110.4L386 L408 T412 K493L386-R410 HydrophobicContact CG-CG 4.41Å; L408-R410 PolarHBondContact O-N 2.64Å; R410-T412 HydrophobicContact CG-CG2 4.11Å; R410-T412 PolarHBondContact O-N 2.71Å; R410-K493 PolarHBondContact N-O 3.25Å; R410-K493 VanDerWaalsContact N-O 3.1Å
411A32.5Very low39.4Very low59 Ų5985.2 Ų85.249%0.48848%0.477SS..  trans-59.5112.2165.400000110.1L386 T409L386-A411 HydrophobicContact CD2-CB 4.03Å; T409-A411 PolarHBondContact O-N 2.64Å
412T41.8Very low41.4Very low35 Ų3577.4 Ų77.422%0.21544%0.44CS..  trans-14664.8170.847.10000108.7R410 E414 V415 A416R410-T412 HydrophobicContact CG-CG2 4.11Å; R410-T412 PolarHBondContact O-N 2.71Å; T412-E414 PolarHBondContact O-N 3.15Å; T412-E414 VanDerWaalsContact O-N 3.17Å; T412-V415 HydrophobicContact CG2-CG2 4.06Å; T412-V415 PolarHBondContact O-N 2.9Å; T412-A416 PolarHBondContact O-N 2.92Å
413D41.8Very low43.4Very low93 Ų9378.4 Ų78.450%0.49744%0.437SS..Hα-helixtrans-51-34.6174.9-103.4-62.5000112.4
414E41.1Very low45.3Very low166 Ų16681.9 Ų81.978%0.77644%0.443SS*.Hα-helixtrans-71.4-30.6-179.6-162.8170.5-138.700113.5T412 S418T412-E414 PolarHBondContact O-N 3.15Å; T412-E414 VanDerWaalsContact O-N 3.17Å; E414-S418 PolarHBondContact O-OG 2.94Å
415V44.3Very low47.5Very low56 Ų5677 Ų7734%0.33941%0.408SS..Hα-helixtrans-84.3-20.7-178.3-177.20000111.9T412 S418T412-V415 HydrophobicContact CG2-CG2 4.06Å; T412-V415 PolarHBondContact O-N 2.9Å; V415-S418 WeakPolarHBondContact CA-OG 3.29Å; V415-S418 PolarHBondContact O-OG 2.72Å
416A46.3Very low50.2Low11 Ų1176.5 Ų76.59%0.09141%0.41CS..Hα-helixtrans-73-33.517700000112.7T412 S418 I421 I491T412-A416 PolarHBondContact O-N 2.92Å; A416-S418 VanDerWaalsContact C-N 3.25Å; A416-S418 PolarHBondContact O-N 3.35Å; A416-I421 HydrophobicContact CB-CD1 4.14Å; A416-I491 HydrophobicContact CB-CD1 4.31Å; A416-I491 HydrophobicContact CB-CG1 4.34Å; A416-I491 HydrophobicContact CB-CG2 3.46Å; A416-I491 VanDerWaalsContact CB-CG2 3.46Å
417R46.1Very low53Low211 Ų21175.9 Ų75.980%0.79641%0.407SS*.THydrogen-bonded Turntrans-77.1-7.5179.1-57.8-176.3-171.2-154.80.7113.9
418S41.4Very low55.7Low78 Ų7872.8 Ų72.855%0.54539%0.393SS..SBendtrans-126.138.3-164.349.30000113.4E414 V415 A416 G420E414-S418 PolarHBondContact O-OG 2.94Å; V415-S418 WeakPolarHBondContact CA-OG 3.29Å; V415-S418 PolarHBondContact O-OG 2.72Å; A416-S418 VanDerWaalsContact C-N 3.25Å; A416-S418 PolarHBondContact O-N 3.35Å; S418-G420 PolarHBondContact O-N 3.38Å
419G57Low58.2Low46 Ų4674 Ų7447%0.47440%0.402SS..SBendtrans74.3-34.1168.100000116.7I421 F422G419-I421 PolarHBondContact O-N 3.42Å; G419-F422 PolarHBondContact O-N 2.96Å
420G62Low60.6Low24 Ų2476 Ų7625%0.24742%0.417CS..THydrogen-bonded Turntrans-66.322.8-172.100000117.1S418 K493S418-G420 PolarHBondContact O-N 3.38Å; G420-K493 PolarHBondContact O-NZ 3.01Å
421I63.7Low63.2Low10 Ų1074.5 Ų74.55%0.05142%0.424CS..THydrogen-bonded Turntrans-75.4-40.1164.5-62.8-179.6000110.5A416 G419 I436 I440 L459 I491A416-I421 HydrophobicContact CB-CD1 4.14Å; G419-I421 PolarHBondContact O-N 3.42Å; I421-I436 HydrophobicContact CD1-CG2 4.02Å; I421-I436 HydrophobicContact CG2-CG2 4.43Å; I421-I440 HydrophobicContact CD1-CD1 3.63Å; I421-L459 HydrophobicContact CG2-CD1 4.31Å; I421-L459 HydrophobicContact CG2-CD2 4.18Å; I421-I491 HydrophobicContact CD1-CD1 3.66Å
422F74.4Confident65.9Low30 Ų3073.7 Ų73.713%0.13241%0.412CS..SBendtrans-97.4-21.8-160.9-53.8-59.6000115.9G419 K424 S425 L428 R433 I436 N437G419-F422 PolarHBondContact O-N 2.96Å; F422-K424 PolarHBondContact O-N 3.35Å; F422-S425 PolarHBondContact O-N 2.81Å; F422-S425 VanDerWaalsContact O-N 3.17Å; F422-S425 PolarHBondContact O-OG 3.47Å; F422-L428 HydrophobicContact CD1-CD2 3.74Å; F422-L428 HydrophobicContact CD1-CG 4.39Å; F422-L428 HydrophobicContact CE1-CD2 4.02Å; F422-R433 HydrophobicContact CD1-CG 4.19Å; F422-R433 HydrophobicContact CE1-CG 3.78Å; F422-R433 HydrophobicContact CE2-CG 4.46Å; F422-R433 HydrophobicContact CZ-CG 3.92Å; F422-I436 HydrophobicContact CE1-CB 4.35Å; F422-I436 HydrophobicContact CE1-CD1 4.22Å; F422-I436 HydrophobicContact CE1-CG2 4.07Å; F422-I436 HydrophobicContact CZ-CB 4.28Å; F422-I436 HydrophobicContact CZ-CG2 3.79Å; F422-N437 WeakPolarHBondContact CE2-OD1 3.49Å; F422-N437 VanDerWaalsContact CZ-OD1 3.26Å; F422-N437 WeakPolarHBondContact CZ-OD1 3.46Å
423D67.2Low68.1Low132 Ų13277 Ų7771%0.70642%0.421SS*.THydrogen-bonded Turntrans-64.1-4.8-167.1-47.3-31.4000115.8
424K68.1Low70.3Confident183 Ų18376.3 Ų76.380%0.79642%0.419SS*.THydrogen-bonded Turntrans-141.521.1-177.6-59.5-175.1-178.9173.30113.1F422F422-K424 PolarHBondContact O-N 3.35Å
425S79.2Confident72.6Confident24 Ų2470.3 Ų70.317%0.16839%0.392CS..  trans-96.5110.1-17763.60000112.2F422 L428 L459F422-S425 PolarHBondContact O-N 2.81Å; F422-S425 VanDerWaalsContact O-N 3.17Å; F422-S425 PolarHBondContact O-OG 3.47Å; S425-L428 WeakPolarHBondContact OG-CB 3.32Å; S425-L459 CarbonylContact C-O 3.59Å; S425-L459 VanDerWaalsContact C-O 3.23Å; S425-L459 WeakPolarHBondContact CA-O 3.31Å; S425-L459 WeakPolarHBondContact CB-O 3.31Å
426N84.8Confident74.7Confident108 Ų10867.6 Ų67.658%0.57838%0.376SS*.SBendtrans-94.1-10.917870.4-4.7000114.7L459 D460 E461N426-L459 PolarHBondContact N-O 2.87Å; N426-D460 VanDerWaalsContact OD1-CA 3.26Å; N426-D460 WeakPolarHBondContact OD1-CA 3.3Å; N426-D460 PolarHBondContact OD1-OD1 3.33Å; N426-E461 PolarHBondContact ND2-O 2.98Å; N426-E461 PolarHBondContact OD1-N 3Å
427C87Confident76.7Confident42 Ų4270.3 Ų70.328%0.28439%0.389SS..SBendtrans-108.8-0.1178.1-63.50000114.2T429 K458 L459 E461C427-T429 PolarHBondContact O-N 3.24Å; C427-K458 HydrophobicContact CB-CB 4.41Å; C427-K458 HydrophobicContact CB-CD 4.42Å; C427-K458 HydrophobicContact CB-CG 3.92Å; C427-L459 PolarHBondContact N-O 3.29Å; C427-E461 VanDerWaalsContact SG-CB 3.53Å
428L86.8Confident78.7Confident19 Ų1962.8 Ų62.810%0.09936%0.364CS..  trans-87.399.2-167.7-172.132.7000111.2F422 S425 N432 R433 I436 L459F422-L428 HydrophobicContact CD1-CD2 3.74Å; F422-L428 HydrophobicContact CD1-CG 4.39Å; F422-L428 HydrophobicContact CE1-CD2 4.02Å; S425-L428 WeakPolarHBondContact OG-CB 3.32Å; L428-N432 HydrophobicContact CD1-CB 3.48Å; L428-N432 VanDerWaalsContact CD1-CB 3.48Å; L428-R433 HydrophobicContact CD2-CB 3.62Å; L428-R433 HydrophobicContact CD2-CG 4.05Å; L428-I436 HydrophobicContact CD1-CD1 4Å; L428-L459 HydrophobicContact CB-CD2 4.27Å; L428-L459 HydrophobicContact CD1-CD2 4.07Å; L428-L459 HydrophobicContact CG-CD2 3.81Å
429T87.5Confident81Confident66 Ų6659.4 Ų59.441%0.40534%0.34SS..  trans-65.2157.6178.9650000112.4C427 A431 N432 R433C427-T429 PolarHBondContact O-N 3.24Å; T429-A431 VanDerWaalsContact C-N 3.34Å; T429-A431 PolarHBondContact O-N 3Å; T429-N432 PolarHBondContact O-N 3.48Å; T429-N432 VanDerWaalsContact O-N 3.17Å; T429-N432 WeakPolarHBondContact OG1-CB 3.39Å; T429-N432 PolarHBondContact OG1-N 3.25Å; T429-N432 PolarHBondContact OG1-ND2 3.47Å; T429-R433 PolarHBondContact O-N 2.91Å
430P86Confident82.4Confident108 Ų10860.3 Ų60.370%0.70133%0.333SS*.Hα-helixtrans-56.3-43176.7-27.236000113.5N432 R433 T434P430-N432 PolarHBondContact O-N 3.44Å; P430-R433 VanDerWaalsContact O-CB 3.29Å; P430-R433 WeakPolarHBondContact O-CB 3Å; P430-R433 PolarHBondContact O-N 2.87Å; P430-R433 VanDerWaalsContact O-N 3.11Å; P430-T434 PolarHBondContact O-N 2.65Å; P430-T434 PolarHBondContact O-OG1 2.97Å
431A87.6Confident83.5Confident63 Ų6363.3 Ų63.352%0.52135%0.35SS..Hα-helixtrans-61-43.3176.400000112.3T429 R433 T434 I435T429-A431 VanDerWaalsContact C-N 3.34Å; T429-A431 PolarHBondContact O-N 3Å; A431-R433 VanDerWaalsContact C-N 3.29Å; A431-R433 PolarHBondContact O-N 3.29Å; A431-T434 WeakPolarHBondContact O-CB 3.46Å; A431-T434 PolarHBondContact O-N 3.46Å; A431-I435 WeakPolarHBondContact O-CG1 2.86Å; A431-I435 PolarHBondContact O-N 3.45Å; A431-I435 VanDerWaalsContact O-N 3.08Å
432N89.2Confident84.4Confident42 Ų4265.2 Ų65.223%0.22537%0.373CS..Hα-helixtrans-67.5-29.2175.9-70.7-3.8000112.1L428 T429 P430 I436 L457L428-N432 HydrophobicContact CD1-CB 3.48Å; L428-N432 VanDerWaalsContact CD1-CB 3.48Å; T429-N432 PolarHBondContact O-N 3.48Å; T429-N432 VanDerWaalsContact O-N 3.17Å; T429-N432 WeakPolarHBondContact OG1-CB 3.39Å; T429-N432 PolarHBondContact OG1-N 3.25Å; T429-N432 PolarHBondContact OG1-ND2 3.47Å; P430-N432 PolarHBondContact O-N 3.44Å; N432-I436 VanDerWaalsContact O-CG1 3.32Å; N432-I436 WeakPolarHBondContact O-CG1 3.21Å; N432-I436 PolarHBondContact O-N 3.45Å; N432-L457 HydrophobicContact CB-CD1 4.38Å
433R88.5Confident84.7Confident106 Ų10670.7 Ų70.740%0.440%0.396SS..Hα-helixtrans-64.6-45.7171.1-169.3177.2-71-131.50.2111.3F422 L428 T429 P430 A431 I436 N437F422-R433 HydrophobicContact CD1-CG 4.19Å; F422-R433 HydrophobicContact CE1-CG 3.78Å; F422-R433 HydrophobicContact CE2-CG 4.46Å; F422-R433 HydrophobicContact CZ-CG 3.92Å; L428-R433 HydrophobicContact CD2-CB 3.62Å; L428-R433 HydrophobicContact CD2-CG 4.05Å; T429-R433 PolarHBondContact O-N 2.91Å; P430-R433 VanDerWaalsContact O-CB 3.29Å; P430-R433 WeakPolarHBondContact O-CB 3Å; P430-R433 PolarHBondContact O-N 2.87Å; P430-R433 VanDerWaalsContact O-N 3.11Å; A431-R433 VanDerWaalsContact C-N 3.29Å; A431-R433 PolarHBondContact O-N 3.29Å; R433-I436 PolarHBondContact O-N 2.97Å; R433-N437 PolarHBondContact O-N 3.11Å
434T88.5Confident85.1Confident77 Ų7769.6 Ų69.647%0.47238%0.382SS..Hα-helixtrans-58.1-50.1176.6-55.80000111P430 A431 I436 N437 D438P430-T434 PolarHBondContact O-N 2.65Å; P430-T434 PolarHBondContact O-OG1 2.97Å; A431-T434 WeakPolarHBondContact O-CB 3.46Å; A431-T434 PolarHBondContact O-N 3.46Å; T434-I436 VanDerWaalsContact C-N 3.3Å; T434-I436 PolarHBondContact O-N 2.91Å; T434-N437 PolarHBondContact O-N 2.97Å; T434-D438 VanDerWaalsContact CG2-OD2 3.31Å; T434-D438 WeakPolarHBondContact CG2-OD2 3.49Å; T434-D438 PolarHBondContact O-N 3.05Å
435I89Confident85.3Confident40 Ų4064.4 Ų64.421%0.20536%0.363CS..Hα-helixtrans-56-41.6177.7-65167.3000112.3A431 F439 L448 L455 L457 L484A431-I435 WeakPolarHBondContact O-CG1 2.86Å; A431-I435 PolarHBondContact O-N 3.45Å; A431-I435 VanDerWaalsContact O-N 3.08Å; I435-F439 WeakPolarHBondContact O-CB 3.47Å; I435-F439 PolarHBondContact O-N 3.27Å; I435-L448 HydrophobicContact CB-CD1 4.44Å; I435-L448 HydrophobicContact CD1-CD1 4.11Å; I435-L448 HydrophobicContact CG1-CD1 4Å; I435-L448 HydrophobicContact CG2-CD1 3.62Å; I435-L455 HydrophobicContact CG2-CD2 3.96Å; I435-L457 HydrophobicContact CB-CD1 4.17Å; I435-L457 HydrophobicContact CG2-CD1 3.86Å; I435-L484 HydrophobicContact CG2-CD1 4.1Å
436I88.3Confident84.7Confident0 Ų069.4 Ų69.40%038%0.384CS..Hα-helixtrans-66.1-44.6176.5-68.1169.6000111I421 F422 L428 N432 R433 T434 F439 I440 L457 L459 C482 L484 I491I421-I436 HydrophobicContact CD1-CG2 4.02Å; I421-I436 HydrophobicContact CG2-CG2 4.43Å; F422-I436 HydrophobicContact CE1-CB 4.35Å; F422-I436 HydrophobicContact CE1-CD1 4.22Å; F422-I436 HydrophobicContact CE1-CG2 4.07Å; F422-I436 HydrophobicContact CZ-CB 4.28Å; F422-I436 HydrophobicContact CZ-CG2 3.79Å; L428-I436 HydrophobicContact CD1-CD1 4Å; N432-I436 VanDerWaalsContact O-CG1 3.32Å; N432-I436 WeakPolarHBondContact O-CG1 3.21Å; N432-I436 PolarHBondContact O-N 3.45Å; R433-I436 PolarHBondContact O-N 2.97Å; T434-I436 VanDerWaalsContact C-N 3.3Å; T434-I436 PolarHBondContact O-N 2.91Å; I436-F439 PolarHBondContact O-N 3.5Å; I436-I440 HydrophobicContact CG2-CD1 3.67Å; I436-I440 HydrophobicContact CG2-CG1 4.49Å; I436-I440 WeakPolarHBondContact O-CD1 3.45Å; I436-I440 VanDerWaalsContact O-CG1 3.23Å; I436-I440 WeakPolarHBondContact O-CG1 3.24Å; I436-I440 PolarHBondContact O-N 2.9Å; I436-L457 HydrophobicContact CD1-CD1 4.16Å; I436-L457 HydrophobicContact CG1-CD1 3.72Å; I436-L459 HydrophobicContact CD1-CD2 4.03Å; I436-C482 HydrophobicContact CD1-CB 3.85Å; I436-C482 HydrophobicContact CG1-CB 4.46Å; I436-L484 HydrophobicContact CG1-CD1 4.33Å; I436-I491 HydrophobicContact CG2-CD1 4.16Å
437N89Confident84Confident68 Ų6869.9 Ų69.936%0.36439%0.386SS..Hα-helixtrans-65.1-41.3179.8-74.3-10.2000112.3F422 R433 T434 I440 S441F422-N437 WeakPolarHBondContact CE2-OD1 3.49Å; F422-N437 VanDerWaalsContact CZ-OD1 3.26Å; F422-N437 WeakPolarHBondContact CZ-OD1 3.46Å; R433-N437 PolarHBondContact O-N 3.11Å; T434-N437 PolarHBondContact O-N 2.97Å; N437-I440 PolarHBondContact O-N 2.89Å; N437-S441 VanDerWaalsContact O-CB 3.23Å; N437-S441 WeakPolarHBondContact O-CB 3.22Å; N437-S441 PolarHBondContact O-N 2.69Å; N437-S441 PolarHBondContact O-OG 3.28Å
438D88.4Confident83.1Confident52 Ų5268.6 Ų68.628%0.27838%0.377SS..Hα-helixtrans-66.4-43.5177-76.7-42.4000111.1T434 I440 S441 G442 K443T434-D438 VanDerWaalsContact CG2-OD2 3.31Å; T434-D438 WeakPolarHBondContact CG2-OD2 3.49Å; T434-D438 PolarHBondContact O-N 3.05Å; D438-I440 PolarHBondContact O-N 3.4Å; D438-S441 CarbonylContact O-C 3.53Å; D438-S441 WeakPolarHBondContact O-CA 3.31Å; D438-S441 PolarHBondContact O-N 3.01Å; D438-S441 VanDerWaalsContact O-N 3.12Å; D438-G442 PolarHBondContact O-N 3.39Å; D438-G442 VanDerWaalsContact O-N 3.1Å; D438-K443 CarbonylContact C-O 3.51Å; D438-K443 HydrophobicContact CB-CB 3.97Å; D438-K443 CarbonylContact O-C 3.41Å; D438-K443 WeakPolarHBondContact O-CA 3.31Å; D438-K443 PolarHBondContact O-N 2.9Å; D438-K443 WeakPolarHBondContact OD1-CD 3.23Å
439F88.3Confident81.9Confident8 Ų874.5 Ų74.54%0.03540%0.398CS..Hα-helixtrans-58.8-44.6174.1-174-84000112.5I435 I436 S441 G442 R444 L484 Y486 G489 I491I435-F439 WeakPolarHBondContact O-CB 3.47Å; I435-F439 PolarHBondContact O-N 3.27Å; I436-F439 PolarHBondContact O-N 3.5Å; F439-S441 VanDerWaalsContact C-N 3.3Å; F439-S441 PolarHBondContact O-N 3Å; F439-G442 PolarHBondContact O-N 2.86Å; F439-R444 HydrophobicContact CD2-CG 4.31Å; F439-L484 HydrophobicContact CB-CD1 4.1Å; F439-L484 HydrophobicContact CD1-CB 4.38Å; F439-L484 HydrophobicContact CD1-CD2 3.8Å; F439-L484 HydrophobicContact CD1-CG 4.5Å; F439-L484 HydrophobicContact CD2-CB 3.92Å; F439-L484 HydrophobicContact CD2-CD1 4.24Å; F439-L484 HydrophobicContact CD2-CG 4.48Å; F439-L484 HydrophobicContact CE1-CB 4.25Å; F439-L484 HydrophobicContact CE1-CD2 4.11Å; F439-L484 HydrophobicContact CE2-CB 3.77Å; F439-L484 HydrophobicContact CG-CB 4.22Å; F439-L484 HydrophobicContact CG-CD1 4.1Å; F439-L484 HydrophobicContact CG-CD2 4.07Å; F439-L484 HydrophobicContact CG-CG 4.36Å; F439-L484 HydrophobicContact CZ-CB 3.94Å; F439-Y486 HydrophobicContact CD2-CD2 4.29Å; F439-Y486 HydrophobicContact CD2-CE1 4.14Å; F439-Y486 AromaticContact CD2-CE2 3.88Å; F439-Y486 HydrophobicContact CD2-CE2 3.88Å; F439-Y486 AromaticContact CD2-CZ 3.81Å; F439-Y486 HydrophobicContact CE2-CD1 4.32Å; F439-Y486 AromaticContact CE2-CD2 3.79Å; F439-Y486 HydrophobicContact CE2-CD2 3.79Å; F439-Y486 HydrophobicContact CE2-CE1 4.39Å; F439-Y486 AromaticContact CE2-CE2 3.84Å; F439-Y486 HydrophobicContact CE2-CE2 3.84Å; F439-Y486 HydrophobicContact CE2-CG 4.03Å; F439-G489 WeakPolarHBondContact CE1-O 3.41Å; F439-I491 HydrophobicContact CD1-CB 4.45Å; F439-I491 HydrophobicContact CE1-CB 4.1Å
440I87.3Confident80.8Confident65 Ų6578 Ų7833%0.33341%0.414SS..Hα-helixtrans-65.1-36.1176.1-68164.4000111.1I421 I436 N437 D438 G442 I491I421-I440 HydrophobicContact CD1-CD1 3.63Å; I436-I440 HydrophobicContact CG2-CD1 3.67Å; I436-I440 HydrophobicContact CG2-CG1 4.49Å; I436-I440 WeakPolarHBondContact O-CD1 3.45Å; I436-I440 VanDerWaalsContact O-CG1 3.23Å; I436-I440 WeakPolarHBondContact O-CG1 3.24Å; I436-I440 PolarHBondContact O-N 2.9Å; N437-I440 PolarHBondContact O-N 2.89Å; D438-I440 PolarHBondContact O-N 3.4Å; I440-G442 PolarHBondContact O-N 3Å; I440-I491 HydrophobicContact CD1-CD1 3.77Å; I440-I491 HydrophobicContact CG1-CD1 3.69Å
441S85.3Confident79.9Confident86 Ų8680 Ų8060%0.60141%0.412SS*.THydrogen-bonded Turntrans-77.13.3176.9-560000113.4N437 D438 F439 K443N437-S441 VanDerWaalsContact O-CB 3.23Å; N437-S441 WeakPolarHBondContact O-CB 3.22Å; N437-S441 PolarHBondContact O-N 2.69Å; N437-S441 PolarHBondContact O-OG 3.28Å; D438-S441 CarbonylContact O-C 3.53Å; D438-S441 WeakPolarHBondContact O-CA 3.31Å; D438-S441 PolarHBondContact O-N 3.01Å; D438-S441 VanDerWaalsContact O-N 3.12Å; F439-S441 VanDerWaalsContact C-N 3.3Å; F439-S441 PolarHBondContact O-N 3Å; S441-K443 PolarHBondContact O-N 3.42Å
442G81.2Confident79.1Confident51 Ų5178.5 Ų78.553%0.52640%0.403SS..THydrogen-bonded Turntrans77.2-3.5-17800000115.2D438 F439 I440 R444D438-G442 PolarHBondContact O-N 3.39Å; D438-G442 VanDerWaalsContact O-N 3.1Å; F439-G442 PolarHBondContact O-N 2.86Å; I440-G442 PolarHBondContact O-N 3Å; G442-R444 VanDerWaalsContact C-N 3.29Å; G442-R444 PolarHBondContact O-N 3.26Å
443K81.5Confident78.7Confident144 Ų14478.4 Ų78.463%0.62641%0.407SS*.  trans-76.277.8174-65.5-178.1-178.8177.90109.9D438 S441 D445D438-K443 CarbonylContact C-O 3.51Å; D438-K443 HydrophobicContact CB-CB 3.97Å; D438-K443 CarbonylContact O-C 3.41Å; D438-K443 WeakPolarHBondContact O-CA 3.31Å; D438-K443 PolarHBondContact O-N 2.9Å; D438-K443 WeakPolarHBondContact OD1-CD 3.23Å; S441-K443 PolarHBondContact O-N 3.42Å; K443-D445 PolarHBondContact O-N 2.95Å
444R75.5Confident78.6Confident109 Ų10976.1 Ų76.141%0.41140%0.402SS..  trans-83.698.2177.8-60.5-177.7-163.1163.913109.5F439 G442 E446 Y486F439-R444 HydrophobicContact CD2-CG 4.31Å; G442-R444 VanDerWaalsContact C-N 3.29Å; G442-R444 PolarHBondContact O-N 3.26Å; R444-E446 PolarHBondContact O-N 2.94Å; R444-Y486 HydrophobicContact CB-CD1 4.12Å; R444-Y486 HydrophobicContact CB-CE1 4.1Å; R444-Y486 HydrophobicContact CG-CD1 4.49Å; R444-Y486 PolarHBondContact NH1-O 2.94Å
445D72.6Confident78.6Confident74 Ų7473.7 Ų73.740%0.39639%0.386SS..  trans-55.8118.5169.3176.914.3000110.3K443 N447 L448K443-D445 PolarHBondContact O-N 2.95Å; D445-N447 VanDerWaalsContact C-N 3.28Å; D445-N447 PolarHBondContact O-N 3.18Å; D445-N447 WeakPolarHBondContact OD1-CB 3.46Å; D445-N447 PolarHBondContact OD1-N 2.93Å; D445-N447 PolarHBondContact OD1-ND2 3.4Å; D445-L448 HydrophobicContact CB-CD1 4.17Å; D445-L448 HydrophobicContact CB-CG 4.25Å; D445-L448 PolarHBondContact O-N 3.35Å
446E65.6Low78.7Confident130 Ų13074.5 Ų74.561%0.60739%0.391SS*.G310 helixtrans-69.1-27.3-178-60.3-155.8106.400112R444 L448 R449R444-E446 PolarHBondContact O-N 2.94Å; E446-L448 PolarHBondContact O-N 3.46Å; E446-R449 WeakPolarHBondContact O-CB 3.25Å; E446-R449 PolarHBondContact O-N 3.33Å; E446-R449 IonicContact OE1-NH1 3.22Å; E446-R449 PolarHBondContact OE1-NH1 3.05Å
447N71.3Confident78.8Confident117 Ų11775.1 Ų75.163%0.62639%0.394SS*.G310 helixtrans-65.1-13.3175.1-54.7-85.8000113.1D445D445-N447 VanDerWaalsContact C-N 3.28Å; D445-N447 PolarHBondContact O-N 3.18Å; D445-N447 WeakPolarHBondContact OD1-CB 3.46Å; D445-N447 PolarHBondContact OD1-N 2.93Å; D445-N447 PolarHBondContact OD1-ND2 3.4Å
448L67.5Low78.9Confident15 Ų1574.4 Ų74.48%0.07939%0.388CS..G310 helixtrans-93.5-16.1172-64.5179.1000113.1I435 D445 E446 K451 L455 Y486I435-L448 HydrophobicContact CB-CD1 4.44Å; I435-L448 HydrophobicContact CD1-CD1 4.11Å; I435-L448 HydrophobicContact CG1-CD1 4Å; I435-L448 HydrophobicContact CG2-CD1 3.62Å; D445-L448 HydrophobicContact CB-CD1 4.17Å; D445-L448 HydrophobicContact CB-CG 4.25Å; D445-L448 PolarHBondContact O-N 3.35Å; E446-L448 PolarHBondContact O-N 3.46Å; L448-K451 HydrophobicContact CD2-CD 3.97Å; L448-K451 PolarHBondContact O-N 3.43Å; L448-L455 HydrophobicContact CB-CD2 4.5Å; L448-L455 HydrophobicContact CD1-CD2 4.23Å; L448-Y486 HydrophobicContact CB-CE1 4.15Å; L448-Y486 WeakPolarHBondContact CB-OH 3.5Å; L448-Y486 WeakPolarHBondContact CD1-OH 3.45Å
449R62.6Low78.9Confident143 Ų14372.1 Ų72.154%0.5438%0.376SS..THydrogen-bonded Turntrans-71.5-34.5176.2-166.6-179.7179-176.1-3.3111.5E446 K451 G452 Y486E446-R449 WeakPolarHBondContact O-CB 3.25Å; E446-R449 PolarHBondContact O-N 3.33Å; E446-R449 IonicContact OE1-NH1 3.22Å; E446-R449 PolarHBondContact OE1-NH1 3.05Å; R449-K451 PolarHBondContact O-N 2.88Å; R449-G452 CarbonylContact O-C 3.44Å; R449-G452 PolarHBondContact O-N 3.34Å; R449-G452 VanDerWaalsContact O-N 3.08Å; R449-Y486 HydrophobicContact CB-CD1 4.46Å
450D63.9Low78.9Confident141 Ų14172.6 Ų72.675%0.75438%0.379SS*.THydrogen-bonded Turntrans-68.3-22177.2-62.2-22.8000113G452D450-G452 PolarHBondContact O-N 3.03Å; D450-G452 VanDerWaalsContact O-N 3.12Å
451K67.6Low79Confident149 Ų14972.8 Ų72.865%0.64838%0.378SS*.THydrogen-bonded Turntrans-74.56.7171.9-59.9179.2-173.5171.50112.7L448 R449L448-K451 HydrophobicContact CD2-CD 3.97Å; L448-K451 PolarHBondContact O-N 3.43Å; R449-K451 PolarHBondContact O-N 2.88Å
452G71Confident79.1Confident32 Ų3272.6 Ų72.633%0.3336%0.364SS..  trans111.6154178.600000112.1R449 D450 I454R449-G452 CarbonylContact O-C 3.44Å; R449-G452 PolarHBondContact O-N 3.34Å; R449-G452 VanDerWaalsContact O-N 3.08Å; D450-G452 PolarHBondContact O-N 3.03Å; D450-G452 VanDerWaalsContact O-N 3.12Å; G452-I454 PolarHBondContact O-N 3.47Å
453A79.9Confident79.5Confident39 Ų3979 Ų7932%0.32237%0.372SS..SBendtrans-55.2-18179.800000115.5D485 Y486 R487A453-D485 CarbonylContact O-C 3.57Å; A453-D485 WeakPolarHBondContact O-CA 3.23Å; A453-Y486 PolarHBondContact O-N 2.96Å; A453-R487 HydrophobicContact CB-CG 3.77Å
454I86.4Confident79.6Confident58 Ų5872.9 Ų72.930%0.29735%0.349SS..EExtended strand (participates in β ladder)trans-134.3112.6-175.8-55.9161.1000109G452 L456 R483 L484 D485G452-I454 PolarHBondContact O-N 3.47Å; I454-L456 HydrophobicContact CG2-CG 4.5Å; I454-R483 VanDerWaalsContact CD1-NH2 3.26Å; I454-R483 HydrophobicContact CG2-CG 3.52Å; I454-L484 CarbonylContact C-O 3.43Å; I454-L484 WeakPolarHBondContact CA-O 3.32Å; I454-D485 HydrophobicContact CG1-CB 4.44Å
455L88.7Confident79.9Confident26 Ų2670.2 Ų70.214%0.13635%0.347CS..EExtended strand (participates in β ladder)trans-92.6136.4173.5-172.562.2000110.4I435 L448 L457 R483 L484 Y486I435-L455 HydrophobicContact CG2-CD2 3.96Å; L448-L455 HydrophobicContact CB-CD2 4.5Å; L448-L455 HydrophobicContact CD1-CD2 4.23Å; L455-L457 HydrophobicContact CD1-CD2 4.43Å; L455-L457 HydrophobicContact CD2-CD1 4.39Å; L455-L457 HydrophobicContact CD2-CD2 4.14Å; L455-L457 HydrophobicContact CD2-CG 4.32Å; L455-L457 HydrophobicContact CG-CD2 4.08Å; L455-L457 HydrophobicContact CG-CG 4.19Å; L455-R483 WeakPolarHBondContact O-CA 2.97Å; L455-L484 HydrophobicContact CB-CB 4.35Å; L455-L484 HydrophobicContact CD2-CD1 4.49Å; L455-L484 PolarHBondContact N-O 2.74Å; L455-L484 PolarHBondContact O-N 3.08Å; L455-Y486 HydrophobicContact CB-CE2 3.9Å; L455-Y486 HydrophobicContact CD2-CE2 4.36Å
456L90.6Very high80.3Confident57 Ų5769.7 Ų69.730%0.29834%0.342SS..EExtended strand (participates in β ladder)trans-122.6100.2-176.6-82.8160.2000111I454 F481 C482 R483I454-L456 HydrophobicContact CG2-CG 4.5Å; L456-F481 HydrophobicContact CB-CD1 4.31Å; L456-F481 HydrophobicContact CD2-CB 3.82Å; L456-F481 HydrophobicContact CD2-CG 4.38Å; L456-C482 WeakPolarHBondContact CA-O 3.42Å; L456-R483 HydrophobicContact CD2-CB 3.9Å; L456-R483 HydrophobicContact CD2-CG 4.18Å
457L90.2Very high81Confident14 Ų1467.1 Ų67.17%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-99.6123.8-177.5-58.8175.1000110.5N432 I435 I436 L455 L459 F481 C482 L484N432-L457 HydrophobicContact CB-CD1 4.38Å; I435-L457 HydrophobicContact CB-CD1 4.17Å; I435-L457 HydrophobicContact CG2-CD1 3.86Å; I436-L457 HydrophobicContact CD1-CD1 4.16Å; I436-L457 HydrophobicContact CG1-CD1 3.72Å; L455-L457 HydrophobicContact CD1-CD2 4.43Å; L455-L457 HydrophobicContact CD2-CD1 4.39Å; L455-L457 HydrophobicContact CD2-CD2 4.14Å; L455-L457 HydrophobicContact CD2-CG 4.32Å; L455-L457 HydrophobicContact CG-CD2 4.08Å; L455-L457 HydrophobicContact CG-CG 4.19Å; L457-L459 PolarHBondContact O-N 2.83Å; L457-F481 CarbonylContact O-C 3.6Å; L457-F481 VanDerWaalsContact O-CA 3.27Å; L457-F481 WeakPolarHBondContact O-CA 3.15Å; L457-C482 HydrophobicContact CB-CB 4.45Å; L457-C482 PolarHBondContact N-O 3.09Å; L457-C482 PolarHBondContact O-N 3.12Å; L457-L484 HydrophobicContact CD1-CD1 3.99Å
458K90.7Very high81.2Confident52 Ų5266.4 Ų66.423%0.22633%0.327CS..EExtended strand (participates in β ladder)trans-69.9125.8-177.7-167.5167169.4172.60110.7C427 E461 E479 F481C427-K458 HydrophobicContact CB-CB 4.41Å; C427-K458 HydrophobicContact CB-CD 4.42Å; C427-K458 HydrophobicContact CB-CG 3.92Å; K458-E461 WeakPolarHBondContact CE-OE2 3.44Å; K458-E461 IonicContact NZ-OE2 2.64Å; K458-E461 PolarHBondContact NZ-OE2 2.97Å; K458-E479 IonicContact NZ-OE1 3.38Å; K458-E479 PolarHBondContact NZ-OE1 3.07Å; K458-F481 HydrophobicContact CB-CD1 4.02Å; K458-F481 HydrophobicContact CB-CE1 3.88Å; K458-F481 HydrophobicContact CD-CE1 4.37Å; K458-F481 HydrophobicContact CD-CZ 4.41Å; K458-F481 HydrophobicContact CG-CD1 4.5Å; K458-F481 HydrophobicContact CG-CE1 4.15Å; K458-F481 HydrophobicContact CG-CZ 4.42Å
459L89.5Confident81.5Confident5 Ų577 Ų773%0.02637%0.365CS..EExtended strand (participates in β ladder)trans-100.9-53.8-179-67.4177.5000111.9I421 S425 N426 C427 L428 I436 L457 T480 C482 K493I421-L459 HydrophobicContact CG2-CD1 4.31Å; I421-L459 HydrophobicContact CG2-CD2 4.18Å; S425-L459 CarbonylContact C-O 3.59Å; S425-L459 VanDerWaalsContact C-O 3.23Å; S425-L459 WeakPolarHBondContact CA-O 3.31Å; S425-L459 WeakPolarHBondContact CB-O 3.31Å; N426-L459 PolarHBondContact N-O 2.87Å; C427-L459 PolarHBondContact N-O 3.29Å; L428-L459 HydrophobicContact CB-CD2 4.27Å; L428-L459 HydrophobicContact CD1-CD2 4.07Å; L428-L459 HydrophobicContact CG-CD2 3.81Å; I436-L459 HydrophobicContact CD1-CD2 4.03Å; L457-L459 PolarHBondContact O-N 2.83Å; L459-T480 WeakPolarHBondContact CB-O 3.4Å; L459-T480 HydrophobicContact CD1-CG2 4.43Å; L459-T480 PolarHBondContact N-O 3.1Å; L459-C482 HydrophobicContact CD1-CB 3.9Å; L459-C482 HydrophobicContact CD2-CB 4.07Å; L459-C482 HydrophobicContact CG-CB 3.96Å; L459-K493 HydrophobicContact CD1-CD 4.43Å; L459-K493 HydrophobicContact CD1-CG 4.38Å
460D88.4Confident82.2Confident18 Ų1875.6 Ų75.610%0.09637%0.369CS..EExtended strand (participates in β ladder)trans-137.8136-170.1170.740000110N426 R462 E479 T480N426-D460 VanDerWaalsContact OD1-CA 3.26Å; N426-D460 WeakPolarHBondContact OD1-CA 3.3Å; N426-D460 PolarHBondContact OD1-OD1 3.33Å; D460-R462 IonicContact OD2-CZ 3.46Å; D460-R462 IonicContact OD2-NE 3.46Å; D460-R462 IonicContact OD2-NH1 2.72Å; D460-R462 PolarHBondContact OD2-NH1 2.94Å; D460-E479 CarbonylContact O-C 3.23Å; D460-E479 WeakPolarHBondContact O-CA 3.15Å; D460-T480 PolarHBondContact N-O 2.9Å; D460-T480 PolarHBondContact O-N 3.43Å
461E89.8Confident82.6Confident68 Ų6871.3 Ų71.332%0.31836%0.357SS..EExtended strand (participates in β ladder)trans-124.9126168.2-176.5-175.2134.200109.7N426 C427 K458 L477 L478N426-E461 PolarHBondContact ND2-O 2.98Å; N426-E461 PolarHBondContact OD1-N 3Å; C427-E461 VanDerWaalsContact SG-CB 3.53Å; K458-E461 WeakPolarHBondContact CE-OE2 3.44Å; K458-E461 IonicContact NZ-OE2 2.64Å; K458-E461 PolarHBondContact NZ-OE2 2.97Å; E461-L477 HydrophobicContact CG-CD1 3.74Å; E461-L477 HydrophobicContact CG-CD2 4.07Å; E461-L477 HydrophobicContact CG-CG 3.88Å; E461-L478 WeakPolarHBondContact CA-O 3.44Å
462R87.1Confident83.1Confident83 Ų8366 Ų6631%0.31334%0.34SS..EExtended strand (participates in β ladder)trans-146.5141.2177.465.1-168.8-171.1-129.61.8112.5D460 L478D460-R462 IonicContact OD2-CZ 3.46Å; D460-R462 IonicContact OD2-NE 3.46Å; D460-R462 IonicContact OD2-NH1 2.72Å; D460-R462 PolarHBondContact OD2-NH1 2.94Å; R462-L478 HydrophobicContact CG-CB 3.92Å; R462-L478 PolarHBondContact N-O 3.34Å; R462-L478 PolarHBondContact O-N 3.38Å
463R88.6Confident83.6Confident184 Ų18472.2 Ų72.269%0.69436%0.357SS*.EExtended strand (participates in β ladder)trans-75.8139.6171.2-62.2-179.5-176.6-116.8-2.9109.6L477 I500R463-L477 HydrophobicContact CG-CD1 3.81Å; R463-I500 HydrophobicContact CB-CD1 4.47Å; R463-I500 HydrophobicContact CG-CD1 4Å
464A85Confident83.7Confident17 Ų1774.2 Ų74.214%0.1436%0.36CS..EExtended strand (participates in β ladder)trans-144.9-174176.200000109.8L377 I476 L478L377-A464 HydrophobicContact CD1-CB 4.16Å; A464-I476 HydrophobicContact CB-CD1 4.47Å; A464-I476 HydrophobicContact CB-CG1 4.11Å; A464-I476 PolarHBondContact N-O 3.32Å; A464-I476 PolarHBondContact O-N 3.48Å; A464-L478 HydrophobicContact CB-CD1 3.64Å; A464-L478 HydrophobicContact CB-CG 4.06Å
465S81.2Confident83.7Confident52 Ų5274.4 Ų74.436%0.36437%0.365SS..EExtended strand (participates in β ladder)trans-129.5125.9172.1-50.10000110.6H474S465-H474 CarbonylContact C-O 3.52Å; S465-H474 VanDerWaalsContact CA-O 3.24Å; S465-H474 WeakPolarHBondContact CA-O 3.4Å
466E80.8Confident83.8Confident63 Ų6373.5 Ų73.529%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-83.2130.6167.4-164.9167.2-157.500107.9R373 H474 I476R373-E466 IonicContact CZ-OE1 3.19Å; R373-E466 IonicContact NH2-OE1 2.64Å; R373-E466 PolarHBondContact NH2-OE1 3.07Å; E466-H474 PolarHBondContact N-O 3.49Å; E466-H474 PolarHBondContact O-N 2.79Å; E466-I476 HydrophobicContact CB-CD1 4.09Å; E466-I476 HydrophobicContact CB-CG1 4.37Å; E466-I476 HydrophobicContact CB-CG2 3.95Å
467V79.2Confident83.7Confident76 Ų7672 Ų7246%0.46135%0.352SS..EExtended strand (participates in β ladder)trans-93.5112.5173.8-176.20000107.4S472 K473V467-S472 WeakPolarHBondContact CA-O 3.31Å; V467-K473 HydrophobicContact CG2-CG 4.24Å
468K77Confident83.7Confident103 Ų10371.3 Ų71.345%0.44835%0.349SS..  trans-72.8169.6175-78.7-178.3-175.3165.70110.9D470 G471 S472 H474K468-D470 WeakPolarHBondContact CB-OD1 3.27Å; K468-D470 PolarHBondContact O-N 2.91Å; K468-G471 PolarHBondContact O-N 3.37Å; K468-S472 PolarHBondContact N-O 3.01Å; K468-H474 VanDerWaalsContact CD-CD2 3.48Å; K468-H474 WeakPolarHBondContact CD-CD2 3.46Å; K468-H474 WeakPolarHBondContact CE-CD2 3.44Å; K468-H474 WeakPolarHBondContact CE-NE2 3.42Å; K468-H474 PolarHBondContact NZ-CD2 2.71Å; K468-H474 VanDerWaalsContact NZ-CD2 3.33Å; K468-H474 PolarHBondContact NZ-CE1 3.1Å; K468-H474 PolarHBondContact NZ-NE2 2.74Å
469R74.1Confident83.7Confident237 Ų23769.3 Ų69.389%0.89434%0.34SS*.THydrogen-bonded Turntrans-60-24.3179.6-67.7-176.1-176.9149-1.5113.9G471R469-G471 VanDerWaalsContact C-N 3.27Å
470D75.6Confident83.6Confident114 Ų11470 Ų7061%0.6135%0.345SS*.THydrogen-bonded Turntrans-78.8-4.31755229.9000113.6K468 S472K468-D470 WeakPolarHBondContact CB-OD1 3.27Å; K468-D470 PolarHBondContact O-N 2.91Å; D470-S472 VanDerWaalsContact C-N 3.28Å; D470-S472 VanDerWaalsContact CG-OG 3.31Å; D470-S472 PolarHBondContact O-N 2.75Å; D470-S472 WeakPolarHBondContact OD1-CA 3.45Å; D470-S472 WeakPolarHBondContact OD1-CB 3.47Å; D470-S472 PolarHBondContact OD1-N 3.45Å; D470-S472 PolarHBondContact OD1-OG 3.09Å; D470-S472 PolarHBondContact OD2-OG 3.02Å
471G73.6Confident83.7Confident50 Ų5070.4 Ų70.452%0.51535%0.345SS..SBendtrans82.3-3.3-175.400000114.7K468 R469K468-G471 PolarHBondContact O-N 3.37Å; R469-G471 VanDerWaalsContact C-N 3.27Å
472S76.6Confident83.7Confident39 Ų3967.1 Ų67.127%0.27333%0.33SS..  trans-66141.9175.469.60000111.2V467 K468 D470 H474V467-S472 WeakPolarHBondContact CA-O 3.31Å; K468-S472 PolarHBondContact N-O 3.01Å; D470-S472 VanDerWaalsContact C-N 3.28Å; D470-S472 VanDerWaalsContact CG-OG 3.31Å; D470-S472 PolarHBondContact O-N 2.75Å; D470-S472 WeakPolarHBondContact OD1-CA 3.45Å; D470-S472 WeakPolarHBondContact OD1-CB 3.47Å; D470-S472 PolarHBondContact OD1-N 3.45Å; D470-S472 PolarHBondContact OD1-OG 3.09Å; D470-S472 PolarHBondContact OD2-OG 3.02Å; S472-H474 PolarHBondContact OG-CD2 2.74Å; S472-H474 PolarHBondContact OG-NE2 2.94Å
473K83.2Confident83.9Confident161 Ų16164.7 Ų64.770%0.732%0.321SS*.EExtended strand (participates in β ladder)trans-101.5106.9176.6-71.8174.7-178.41730108.9V467V467-K473 HydrophobicContact CG2-CG 4.24Å
474H81Confident84Confident81 Ų8155.9 Ų55.938%0.37529%0.288SS..EExtended strand (participates in β ladder)trans-95.1133.4172.9-76.6-86.7000110.7S465 E466 K468 S472 I476S465-H474 CarbonylContact C-O 3.52Å; S465-H474 VanDerWaalsContact CA-O 3.24Å; S465-H474 WeakPolarHBondContact CA-O 3.4Å; E466-H474 PolarHBondContact N-O 3.49Å; E466-H474 PolarHBondContact O-N 2.79Å; K468-H474 VanDerWaalsContact CD-CD2 3.48Å; K468-H474 WeakPolarHBondContact CD-CD2 3.46Å; K468-H474 WeakPolarHBondContact CE-CD2 3.44Å; K468-H474 WeakPolarHBondContact CE-NE2 3.42Å; K468-H474 PolarHBondContact NZ-CD2 2.71Å; K468-H474 VanDerWaalsContact NZ-CD2 3.33Å; K468-H474 PolarHBondContact NZ-CE1 3.1Å; K468-H474 PolarHBondContact NZ-NE2 2.74Å; S472-H474 PolarHBondContact OG-CD2 2.74Å; S472-H474 PolarHBondContact OG-NE2 2.94Å; H474-I476 PolarHBondContact O-N 3.25Å
475P86.9Confident84.2Confident62 Ų6255.2 Ų55.240%0.40328%0.282SS..EExtended strand (participates in β ladder)trans-68129.4175.429.9-34.2000109.9I500P475-I500 HydrophobicContact CB-CB 4.18Å; P475-I500 HydrophobicContact CB-CD1 4.29Å; P475-I500 HydrophobicContact CG-CB 4.29Å; P475-I500 PolarHBondContact O-N 3.15Å; P475-I500 VanDerWaalsContact O-N 3.1Å
476I90.2Very high84.4Confident7 Ų753.5 Ų53.54%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-127.9151176.560.5158000110.6L375 A464 E466 H474 L478 A497 K498 I500L375-I476 HydrophobicContact CD2-CD1 4.38Å; A464-I476 HydrophobicContact CB-CD1 4.47Å; A464-I476 HydrophobicContact CB-CG1 4.11Å; A464-I476 PolarHBondContact N-O 3.32Å; A464-I476 PolarHBondContact O-N 3.48Å; E466-I476 HydrophobicContact CB-CD1 4.09Å; E466-I476 HydrophobicContact CB-CG1 4.37Å; E466-I476 HydrophobicContact CB-CG2 3.95Å; H474-I476 PolarHBondContact O-N 3.25Å; I476-L478 HydrophobicContact CD1-CD2 3.73Å; I476-L478 HydrophobicContact CD1-CG 3.97Å; I476-A497 HydrophobicContact CD1-CB 4.16Å; I476-K498 CarbonylContact C-O 3.34Å; I476-K498 VanDerWaalsContact CA-O 3.28Å; I476-K498 WeakPolarHBondContact CA-O 3.24Å; I476-K498 WeakPolarHBondContact CB-O 3.44Å; I476-I500 VanDerWaalsContact C-CD1 3.49Å
477L89.6Confident84.4Confident25 Ų2558.4 Ų58.413%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-99.4117.1170.2-162.268.8000108.6E461 R463 A497 K498 I500E461-L477 HydrophobicContact CG-CD1 3.74Å; E461-L477 HydrophobicContact CG-CD2 4.07Å; E461-L477 HydrophobicContact CG-CG 3.88Å; R463-L477 HydrophobicContact CG-CD1 3.81Å; L477-A497 WeakPolarHBondContact O-CA 3.45Å; L477-K498 HydrophobicContact CB-CB 4.36Å; L477-K498 PolarHBondContact N-O 3.27Å; L477-K498 PolarHBondContact O-N 3.14Å; L477-I500 HydrophobicContact CB-CD1 4.16Å; L477-I500 HydrophobicContact CB-CG1 4.02Å; L477-I500 HydrophobicContact CD1-CD1 4.4Å
478L88.7Confident84.6Confident1 Ų159.7 Ų59.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-93.6115.4174.5-72.6178.5000109.2L375 L377 E461 R462 A464 I476 L495 A497L375-L478 HydrophobicContact CD1-CD1 4.21Å; L375-L478 HydrophobicContact CD1-CD2 3.93Å; L377-L478 HydrophobicContact CD1-CD1 4.27Å; E461-L478 WeakPolarHBondContact CA-O 3.44Å; R462-L478 HydrophobicContact CG-CB 3.92Å; R462-L478 PolarHBondContact N-O 3.34Å; R462-L478 PolarHBondContact O-N 3.38Å; A464-L478 HydrophobicContact CB-CD1 3.64Å; A464-L478 HydrophobicContact CB-CG 4.06Å; I476-L478 HydrophobicContact CD1-CD2 3.73Å; I476-L478 HydrophobicContact CD1-CG 3.97Å; L478-L495 HydrophobicContact CB-CD1 4.19Å; L478-L495 HydrophobicContact CD2-CD1 4.28Å; L478-L495 HydrophobicContact CD2-CD2 4.34Å; L478-L495 HydrophobicContact CD2-CG 4.34Å; L478-A497 HydrophobicContact CD2-CB 3.92Å
479E90.7Very high85Confident9 Ų955.7 Ų55.74%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-109.3118.2175.1-64.3179.9137.800109.8K458 D460 F481 K496 K498K458-E479 IonicContact NZ-OE1 3.38Å; K458-E479 PolarHBondContact NZ-OE1 3.07Å; D460-E479 CarbonylContact O-C 3.23Å; D460-E479 WeakPolarHBondContact O-CA 3.15Å; E479-F481 HydrophobicContact CB-CD2 4.24Å; E479-F481 HydrophobicContact CB-CE2 3.45Å; E479-F481 VanDerWaalsContact CB-CE2 3.45Å; E479-F481 HydrophobicContact CB-CZ 4.04Å; E479-F481 HydrophobicContact CG-CE2 4.44Å; E479-K496 PolarHBondContact N-O 2.83Å; E479-K496 PolarHBondContact O-N 3.36Å; E479-K498 IonicContact OE1-NZ 3.58Å; E479-K498 PolarHBondContact OE1-NZ 3.09Å; E479-K498 WeakPolarHBondContact OE2-CE 3.4Å; E479-K498 IonicContact OE2-NZ 2.7Å; E479-K498 PolarHBondContact OE2-NZ 2.96Å
480T88.1Confident85.5Confident21 Ų2146 Ų4613%0.12924%0.244CC..EExtended strand (participates in β ladder)trans-94131.9170.4-46.10000109.5L459 D460 K493 V494L459-T480 WeakPolarHBondContact CB-O 3.4Å; L459-T480 HydrophobicContact CD1-CG2 4.43Å; L459-T480 PolarHBondContact N-O 3.1Å; D460-T480 PolarHBondContact N-O 2.9Å; D460-T480 PolarHBondContact O-N 3.43Å; T480-K493 HydrophobicContact CG2-CB 4.48Å; T480-V494 CarbonylContact C-O 3.57Å; T480-V494 WeakPolarHBondContact CA-O 3.39Å
481F90.3Very high86.1Confident25 Ų2541.4 Ų41.411%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-118147.6175.5-63-99.5000110.7L456 L457 K458 E479 K493 V494 K496L456-F481 HydrophobicContact CB-CD1 4.31Å; L456-F481 HydrophobicContact CD2-CB 3.82Å; L456-F481 HydrophobicContact CD2-CG 4.38Å; L457-F481 CarbonylContact O-C 3.6Å; L457-F481 VanDerWaalsContact O-CA 3.27Å; L457-F481 WeakPolarHBondContact O-CA 3.15Å; K458-F481 HydrophobicContact CB-CD1 4.02Å; K458-F481 HydrophobicContact CB-CE1 3.88Å; K458-F481 HydrophobicContact CD-CE1 4.37Å; K458-F481 HydrophobicContact CD-CZ 4.41Å; K458-F481 HydrophobicContact CG-CD1 4.5Å; K458-F481 HydrophobicContact CG-CE1 4.15Å; K458-F481 HydrophobicContact CG-CZ 4.42Å; E479-F481 HydrophobicContact CB-CD2 4.24Å; E479-F481 HydrophobicContact CB-CE2 3.45Å; E479-F481 VanDerWaalsContact CB-CE2 3.45Å; E479-F481 HydrophobicContact CB-CZ 4.04Å; E479-F481 HydrophobicContact CG-CE2 4.44Å; F481-K493 WeakPolarHBondContact O-CA 3.36Å; F481-V494 PolarHBondContact N-O 3.14Å; F481-V494 PolarHBondContact O-N 3.04Å; F481-K496 HydrophobicContact CD2-CD 3.89Å; F481-K496 HydrophobicContact CD2-CG 4.16Å; F481-K496 HydrophobicContact CE2-CB 4.26Å; F481-K496 HydrophobicContact CE2-CD 3.61Å; F481-K496 HydrophobicContact CE2-CG 4.08Å; F481-K496 HydrophobicContact CZ-CD 4.4Å
482C90.7Very high86.8Confident0 Ų039.7 Ų39.70%020%0.201CC..EExtended strand (participates in β ladder)trans-84.2123.9159.1-159.90000108I436 L456 L457 L459I436-C482 HydrophobicContact CD1-CB 3.85Å; I436-C482 HydrophobicContact CG1-CB 4.46Å; L456-C482 WeakPolarHBondContact CA-O 3.42Å; L457-C482 HydrophobicContact CB-CB 4.45Å; L457-C482 PolarHBondContact N-O 3.09Å; L457-C482 PolarHBondContact O-N 3.12Å; L459-C482 HydrophobicContact CD1-CB 3.9Å; L459-C482 HydrophobicContact CD2-CB 4.07Å; L459-C482 HydrophobicContact CG-CB 3.96Å
483R91.1Very high87.3Confident31 Ų3140.7 Ų40.712%0.11720%0.201CC..EExtended strand (participates in β ladder)trans-102.4117.4176.6-178-173.3176-72.5-6.6108E407 I454 L455 L456 D485 I491 G492 V494E407-R483 WeakPolarHBondContact OE1-CD 3.35Å; E407-R483 IonicContact OE1-NE 2.97Å; E407-R483 IonicContact OE2-NE 2.65Å; I454-R483 VanDerWaalsContact CD1-NH2 3.26Å; I454-R483 HydrophobicContact CG2-CG 3.52Å; L455-R483 WeakPolarHBondContact O-CA 2.97Å; L456-R483 HydrophobicContact CD2-CB 3.9Å; L456-R483 HydrophobicContact CD2-CG 4.18Å; R483-D485 IonicContact CZ-OD2 3.89Å; R483-D485 IonicContact NH1-OD2 2.75Å; R483-D485 PolarHBondContact NH1-OD2 3.5Å; R483-D485 IonicContact NH2-OD2 2.64Å; R483-D485 PolarHBondContact NH2-OD2 2.93Å; R483-I491 WeakPolarHBondContact O-CA 3.28Å; R483-G492 PolarHBondContact N-O 3.32Å; R483-G492 PolarHBondContact O-N 3.05Å; R483-V494 HydrophobicContact CB-CG2 3.81Å; R483-V494 HydrophobicContact CG-CG2 4.34Å
484L91.1Very high87.5Confident0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-112.1111.8178-51.6-179.3000108.4I435 I436 F439 I454 L455 L457 Y486 I491I435-L484 HydrophobicContact CG2-CD1 4.1Å; I436-L484 HydrophobicContact CG1-CD1 4.33Å; F439-L484 HydrophobicContact CB-CD1 4.1Å; F439-L484 HydrophobicContact CD1-CB 4.38Å; F439-L484 HydrophobicContact CD1-CD2 3.8Å; F439-L484 HydrophobicContact CD1-CG 4.5Å; F439-L484 HydrophobicContact CD2-CB 3.92Å; F439-L484 HydrophobicContact CD2-CD1 4.24Å; F439-L484 HydrophobicContact CD2-CG 4.48Å; F439-L484 HydrophobicContact CE1-CB 4.25Å; F439-L484 HydrophobicContact CE1-CD2 4.11Å; F439-L484 HydrophobicContact CE2-CB 3.77Å; F439-L484 HydrophobicContact CG-CB 4.22Å; F439-L484 HydrophobicContact CG-CD1 4.1Å; F439-L484 HydrophobicContact CG-CD2 4.07Å; F439-L484 HydrophobicContact CG-CG 4.36Å; F439-L484 HydrophobicContact CZ-CB 3.94Å; I454-L484 CarbonylContact C-O 3.43Å; I454-L484 WeakPolarHBondContact CA-O 3.32Å; L455-L484 HydrophobicContact CB-CB 4.35Å; L455-L484 HydrophobicContact CD2-CD1 4.49Å; L455-L484 PolarHBondContact N-O 2.74Å; L455-L484 PolarHBondContact O-N 3.08Å; L457-L484 HydrophobicContact CD1-CD1 3.99Å; L484-Y486 HydrophobicContact CB-CE2 4.04Å; L484-I491 HydrophobicContact CD2-CB 4.2Å; L484-I491 HydrophobicContact CD2-CD1 3.59Å; L484-I491 HydrophobicContact CD2-CG1 3.72Å
485D88Confident87.8Confident3 Ų330.2 Ų30.22%0.01616%0.155CC..EExtended strand (participates in β ladder)trans-101.5103.6-178.4-165.4-38.3000110A453 I454 R483 R487 N488 G489 S490A453-D485 CarbonylContact O-C 3.57Å; A453-D485 WeakPolarHBondContact O-CA 3.23Å; I454-D485 HydrophobicContact CG1-CB 4.44Å; R483-D485 IonicContact CZ-OD2 3.89Å; R483-D485 IonicContact NH1-OD2 2.75Å; R483-D485 PolarHBondContact NH1-OD2 3.5Å; R483-D485 IonicContact NH2-OD2 2.64Å; R483-D485 PolarHBondContact NH2-OD2 2.93Å; D485-R487 PolarHBondContact O-N 3.21Å; D485-R487 WeakPolarHBondContact OD1-CB 3.46Å; D485-R487 IonicContact OD1-CZ 2.89Å; D485-R487 PolarHBondContact OD1-N 3.03Å; D485-R487 IonicContact OD1-NE 3.02Å; D485-R487 PolarHBondContact OD1-NE 3.04Å; D485-R487 IonicContact OD1-NH2 3.33Å; D485-R487 PolarHBondContact OD1-NH2 3.05Å; D485-R487 IonicContact OD2-CZ 3.74Å; D485-R487 IonicContact OD2-NE 3.82Å; D485-R487 IonicContact OD2-NH2 3.91Å; D485-R487 PolarHBondContact OD2-NH2 2.66Å; D485-N488 WeakPolarHBondContact CB-OD1 3.38Å; D485-N488 PolarHBondContact O-N 3.17Å; D485-N488 PolarHBondContact O-OD1 2.78Å; D485-G489 VanDerWaalsContact O-CA 3.32Å; D485-G489 WeakPolarHBondContact O-CA 3.48Å; D485-G489 PolarHBondContact O-N 3.1Å; D485-S490 WeakPolarHBondContact CB-OG 3.34Å; D485-S490 PolarHBondContact N-O 2.96Å
486Y86.8Confident87.9Confident15 Ų1528 Ų286%0.05914%0.139CC..THydrogen-bonded Turntrans-69.2-18.1-171.5-79.2-110.3000112.7F439 R444 L448 R449 A453 L455 L484F439-Y486 HydrophobicContact CD2-CD2 4.29Å; F439-Y486 HydrophobicContact CD2-CE1 4.14Å; F439-Y486 AromaticContact CD2-CE2 3.88Å; F439-Y486 HydrophobicContact CD2-CE2 3.88Å; F439-Y486 AromaticContact CD2-CZ 3.81Å; F439-Y486 HydrophobicContact CE2-CD1 4.32Å; F439-Y486 AromaticContact CE2-CD2 3.79Å; F439-Y486 HydrophobicContact CE2-CD2 3.79Å; F439-Y486 HydrophobicContact CE2-CE1 4.39Å; F439-Y486 AromaticContact CE2-CE2 3.84Å; F439-Y486 HydrophobicContact CE2-CE2 3.84Å; F439-Y486 HydrophobicContact CE2-CG 4.03Å; R444-Y486 HydrophobicContact CB-CD1 4.12Å; R444-Y486 HydrophobicContact CB-CE1 4.1Å; R444-Y486 HydrophobicContact CG-CD1 4.49Å; R444-Y486 PolarHBondContact NH1-O 2.94Å; L448-Y486 HydrophobicContact CB-CE1 4.15Å; L448-Y486 WeakPolarHBondContact CB-OH 3.5Å; L448-Y486 WeakPolarHBondContact CD1-OH 3.45Å; R449-Y486 HydrophobicContact CB-CD1 4.46Å; A453-Y486 PolarHBondContact O-N 2.96Å; L455-Y486 HydrophobicContact CB-CE2 3.9Å; L455-Y486 HydrophobicContact CD2-CE2 4.36Å; L484-Y486 HydrophobicContact CB-CE2 4.04Å
487R80.7Confident87.7Confident166 Ų16629.9 Ų29.963%0.62616%0.156SC*.THydrogen-bonded Turntrans-71.6-45-180-58.2170.1-66.3-177.75.6112.5A453 D485A453-R487 HydrophobicContact CB-CG 3.77Å; D485-R487 PolarHBondContact O-N 3.21Å; D485-R487 WeakPolarHBondContact OD1-CB 3.46Å; D485-R487 IonicContact OD1-CZ 2.89Å; D485-R487 PolarHBondContact OD1-N 3.03Å; D485-R487 IonicContact OD1-NE 3.02Å; D485-R487 PolarHBondContact OD1-NE 3.04Å; D485-R487 IonicContact OD1-NH2 3.33Å; D485-R487 PolarHBondContact OD1-NH2 3.05Å; D485-R487 IonicContact OD2-CZ 3.74Å; D485-R487 IonicContact OD2-NE 3.82Å; D485-R487 IonicContact OD2-NH2 3.91Å; D485-R487 PolarHBondContact OD2-NH2 2.66Å
488N83.6Confident87.5Confident104 Ų10433.3 Ų33.356%0.55617%0.17SC*.THydrogen-bonded Turntrans-111.8-8.5-176.968.4-2.2000113.4D485 S490D485-N488 WeakPolarHBondContact CB-OD1 3.38Å; D485-N488 PolarHBondContact O-N 3.17Å; D485-N488 PolarHBondContact O-OD1 2.78Å; N488-S490 VanDerWaalsContact C-N 3.29Å; N488-S490 VanDerWaalsContact CG-OG 3.32Å; N488-S490 PolarHBondContact ND2-OG 3.29Å; N488-S490 VanDerWaalsContact OD1-CB 3.26Å; N488-S490 WeakPolarHBondContact OD1-CB 3.27Å; N488-S490 PolarHBondContact OD1-N 3.46Å; N488-S490 PolarHBondContact OD1-OG 3.48Å
489G84.1Confident87.3Confident19 Ų1937.8 Ų37.820%0.19620%0.199CC..THydrogen-bonded Turntrans77.210.1-175.900000114.5F439 D485F439-G489 WeakPolarHBondContact CE1-O 3.41Å; D485-G489 VanDerWaalsContact O-CA 3.32Å; D485-G489 WeakPolarHBondContact O-CA 3.48Å; D485-G489 PolarHBondContact O-N 3.1Å
490S85.7Confident86.8Confident32 Ų3239.4 Ų39.422%0.22421%0.208CC..EExtended strand (participates in β ladder)trans-74.7137.8-178.764.80000111.7D485 N488D485-S490 WeakPolarHBondContact CB-OG 3.34Å; D485-S490 PolarHBondContact N-O 2.96Å; N488-S490 VanDerWaalsContact C-N 3.29Å; N488-S490 VanDerWaalsContact CG-OG 3.32Å; N488-S490 PolarHBondContact ND2-OG 3.29Å; N488-S490 VanDerWaalsContact OD1-CB 3.26Å; N488-S490 WeakPolarHBondContact OD1-CB 3.27Å; N488-S490 PolarHBondContact OD1-N 3.46Å; N488-S490 PolarHBondContact OD1-OG 3.48Å
491I87.8Confident85.9Confident19 Ų1944.5 Ų44.510%0.09723%0.234CC..EExtended strand (participates in β ladder)trans-117.2131.5174.6177.6163.6000109.3A416 I421 I436 F439 I440 R483 L484A416-I491 HydrophobicContact CB-CD1 4.31Å; A416-I491 HydrophobicContact CB-CG1 4.34Å; A416-I491 HydrophobicContact CB-CG2 3.46Å; A416-I491 VanDerWaalsContact CB-CG2 3.46Å; I421-I491 HydrophobicContact CD1-CD1 3.66Å; I436-I491 HydrophobicContact CG2-CD1 4.16Å; F439-I491 HydrophobicContact CD1-CB 4.45Å; F439-I491 HydrophobicContact CE1-CB 4.1Å; I440-I491 HydrophobicContact CD1-CD1 3.77Å; I440-I491 HydrophobicContact CG1-CD1 3.69Å; R483-I491 WeakPolarHBondContact O-CA 3.28Å; L484-I491 HydrophobicContact CD2-CB 4.2Å; L484-I491 HydrophobicContact CD2-CD1 3.59Å; L484-I491 HydrophobicContact CD2-CG1 3.72Å
492G87.8Confident84Confident13 Ų1349 Ų4913%0.13427%0.268CS..EExtended strand (participates in β ladder)trans-145.9165.3-178.800000112.9R483R483-G492 PolarHBondContact N-O 3.32Å; R483-G492 PolarHBondContact O-N 3.05Å
493K88.3Confident81.6Confident60 Ų6054.9 Ų54.926%0.26130%0.304SS..EExtended strand (participates in β ladder)trans-103.1132.7169.3-62.7-174.2-173.8-177.50109.2R410 G420 L459 T480 F481R410-K493 PolarHBondContact N-O 3.25Å; R410-K493 VanDerWaalsContact N-O 3.1Å; G420-K493 PolarHBondContact O-NZ 3.01Å; L459-K493 HydrophobicContact CD1-CD 4.43Å; L459-K493 HydrophobicContact CD1-CG 4.38Å; T480-K493 HydrophobicContact CG2-CB 4.48Å; F481-K493 WeakPolarHBondContact O-CA 3.36Å
494V87.4Confident79.1Confident1 Ų159 Ų591%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-119.6124.8178.7171.10000109.2E407 L408 T409 T480 F481 R483 K496E407-V494 HydrophobicContact CB-CG1 4.37Å; E407-V494 HydrophobicContact CG-CG1 4.2Å; L408-V494 WeakPolarHBondContact O-CA 3.09Å; T409-V494 HydrophobicContact CG2-CG2 3.88Å; T480-V494 CarbonylContact C-O 3.57Å; T480-V494 WeakPolarHBondContact CA-O 3.39Å; F481-V494 PolarHBondContact N-O 3.14Å; F481-V494 PolarHBondContact O-N 3.04Å; R483-V494 HydrophobicContact CB-CG2 3.81Å; R483-V494 HydrophobicContact CG-CG2 4.34Å; V494-K496 HydrophobicContact CG1-CG 4.1Å
495L87.2Confident76.5Confident21 Ų2168.2 Ų68.211%0.1138%0.381CS..EExtended strand (participates in β ladder)trans-105.6120.3176.8-178.267.6000110.6L375 T406 L408 L478L375-L495 HydrophobicContact CD1-CD2 3.59Å; T406-L495 VanDerWaalsContact O-O 3.13Å; L408-L495 HydrophobicContact CB-CB 4.12Å; L478-L495 HydrophobicContact CB-CD1 4.19Å; L478-L495 HydrophobicContact CD2-CD1 4.28Å; L478-L495 HydrophobicContact CD2-CD2 4.34Å; L478-L495 HydrophobicContact CD2-CG 4.34Å
496K89Confident73.9Confident15 Ų1573.6 Ų73.67%0.06542%0.419CS..EExtended strand (participates in β ladder)trans-109.5144.2175.9-56.3179.3-165165.30109.4Q405 E479 F481 V494Q405-K496 HydrophobicContact CB-CD 4.27Å; Q405-K496 HydrophobicContact CG-CD 4.45Å; Q405-K496 VanDerWaalsContact OE1-CE 3.3Å; E479-K496 PolarHBondContact N-O 2.83Å; E479-K496 PolarHBondContact O-N 3.36Å; F481-K496 HydrophobicContact CD2-CD 3.89Å; F481-K496 HydrophobicContact CD2-CG 4.16Å; F481-K496 HydrophobicContact CE2-CB 4.26Å; F481-K496 HydrophobicContact CE2-CD 3.61Å; F481-K496 HydrophobicContact CE2-CG 4.08Å; F481-K496 HydrophobicContact CZ-CD 4.4Å; V494-K496 HydrophobicContact CG1-CG 4.1Å
497A86.2Confident71.5Confident47 Ų4779.7 Ų79.739%0.38846%0.458SS..EExtended strand (participates in β ladder)trans-115.2131.7172.800000109.1I476 L477 L478I476-A497 HydrophobicContact CD1-CB 4.16Å; L477-A497 WeakPolarHBondContact O-CA 3.45Å; L478-A497 HydrophobicContact CD2-CB 3.92Å
498K85.3Confident69.2Low98 Ų9881.4 Ų81.443%0.42649%0.487SS..EExtended strand (participates in β ladder)trans-114.4141.3170.4-66.8169.4173166.10108.8I476 L477 E479I476-K498 CarbonylContact C-O 3.34Å; I476-K498 VanDerWaalsContact CA-O 3.28Å; I476-K498 WeakPolarHBondContact CA-O 3.24Å; I476-K498 WeakPolarHBondContact CB-O 3.44Å; L477-K498 HydrophobicContact CB-CB 4.36Å; L477-K498 PolarHBondContact N-O 3.27Å; L477-K498 PolarHBondContact O-N 3.14Å; E479-K498 IonicContact OE1-NZ 3.58Å; E479-K498 PolarHBondContact OE1-NZ 3.09Å; E479-K498 WeakPolarHBondContact OE2-CE 3.4Å; E479-K498 IonicContact OE2-NZ 2.7Å; E479-K498 PolarHBondContact OE2-NZ 2.96Å
499P83.3Confident68.5Low95 Ų9580.3 Ų80.362%0.61748%0.483SS*.EExtended strand (participates in β ladder)trans-61.8152.8165.329.7-34.2000109.8
500I81.5Confident67.7Low43 Ų4383.5 Ų83.522%0.22150%0.498CS..  trans-106.1101.3168.2-62172.4000106.7R463 P475 I476 L477 S502R463-I500 HydrophobicContact CB-CD1 4.47Å; R463-I500 HydrophobicContact CG-CD1 4Å; P475-I500 HydrophobicContact CB-CB 4.18Å; P475-I500 HydrophobicContact CB-CD1 4.29Å; P475-I500 HydrophobicContact CG-CB 4.29Å; P475-I500 PolarHBondContact O-N 3.15Å; P475-I500 VanDerWaalsContact O-N 3.1Å; I476-I500 VanDerWaalsContact C-CD1 3.49Å; L477-I500 HydrophobicContact CB-CD1 4.16Å; L477-I500 HydrophobicContact CB-CG1 4.02Å; L477-I500 HydrophobicContact CD1-CD1 4.4Å; I500-S502 PolarHBondContact O-N 3.24Å
501D68.3Low66.7Low128 Ų12886.4 Ų86.468%0.68451%0.513SS*.  trans-67.2121.8179.2-63.2-41.1000110.1T503D501-T503 PolarHBondContact O-N 2.73Å
502S49.8Very low65.4Low119 Ų11990.4 Ų90.483%0.83254%0.538SS*.  trans-84.255.4-174.558.60000112I500I500-S502 PolarHBondContact O-N 3.24Å
503T41Very low64.1Low123 Ų12395.2 Ų95.276%0.75556%0.563SS**  trans-12854-170.2-37.50000111.6D501D501-T503 PolarHBondContact O-N 2.73Å
504S37.9Very low62.4Low119 Ų11997.5 Ų97.583%0.83258%0.583SS**  trans-17174.7167.124.40000110.5
505Q36.6Very low60.7Low193 Ų193104.4 Ų104.490%0.90263%0.625SS**  trans-104.5130.5158.5-76.2-168.2-2.100109.2
506S33.8Very low58.6Low115 Ų115110.8 Ų110.880%0.80466%0.664SS**  trans53.982.7157.4-168.30000118
507T36Very low56.1Low143 Ų143118.8 Ų118.888%0.87771%0.714SS**  trans-124122135.5-47.60000107.9
508V33.2Very low53.3Low203 Ų203125.4 Ų125.4100%1.2374%0.744SS**  trans-1000160173.30000106.3

Retrieved 508 of 508 residues in 125.6 ms (Link to these results)

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