A0A060WIQ8_ONCMY Loading...

Prohibitin

In the plasma membrane, cooperates with CD86 to mediate CD86-signaling in B lymphocytes that regulates the level of IgG1 produced through the activation of distal signaling intermediates. Upon CD40 engagement, required to activate NF-kappa-B signaling pathway via phospholipase C and protein kinase C activation.

AlphaFold DB (A0A673WHM1), UniProt , Accession A0A060WIQ8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 271 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
1M57.1Low74.4Confident200 Ų200118.4 Ų118.499%0.98562%0.623SS**  0-49.60-67.5-59.4-96.700113K3 L4 F5M1-K3 PolarHBondContact O-N 3.46Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-F5 PolarHBondContact O-N 3.28Å
2A64Low75.4Confident82 Ų82111.7 Ų111.768%0.67860%0.604SS**Hα-helixtrans-59.8-44.5-178.400000115.5L4 F5 E6A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.06Å; A2-F5 PolarHBondContact O-N 3.36Å; A2-E6 PolarHBondContact O-N 2.99Å; A2-E6 VanDerWaalsContact O-N 3.08Å
3K66.3Low76.2Confident174 Ų174112.1 Ų112.176%0.75761%0.605SS**Hα-helixtrans-65.1-27.1179.3-70.2-173175.9-178.50114.5M1 S7M1-K3 PolarHBondContact O-N 3.46Å; K3-S7 WeakPolarHBondContact O-CB 3.42Å; K3-S7 PolarHBondContact O-N 3.13Å; K3-S7 VanDerWaalsContact O-N 3.12Å; K3-S7 PolarHBondContact O-OG 3.26Å
4L70.8Confident76.8Confident113 Ų113108.6 Ų108.659%0.59260%0.599SS**Hα-helixtrans-73.3-43.2176.8-107.1152.1000110.5M1 A2 E6 S7 I8M1-L4 PolarHBondContact O-N 3.47Å; A2-L4 VanDerWaalsContact C-N 3.28Å; A2-L4 PolarHBondContact O-N 3.06Å; L4-E6 VanDerWaalsContact C-N 3.35Å; L4-E6 PolarHBondContact O-N 2.96Å; L4-S7 PolarHBondContact O-N 2.92Å; L4-I8 HydrophobicContact CD2-CD1 4.37Å; L4-I8 WeakPolarHBondContact O-CB 3.31Å; L4-I8 WeakPolarHBondContact O-CD1 3.41Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 3.47Å
5F74.3Confident77.4Confident170 Ų170110.1 Ų110.175%0.74661%0.605SS**Hα-helixtrans-64.2-39.3175.7-130.3-91.2000112.2M1 A2 G9M1-F5 PolarHBondContact O-N 3.28Å; A2-F5 PolarHBondContact O-N 3.36Å; F5-G9 PolarHBondContact O-N 2.9Å
6E77.9Confident77.9Confident108 Ų108107.4 Ų107.451%0.50560%0.601SS.*Hα-helixtrans-67.3-38.3176.3-159.9-170153.200112.4A2 L4 G9 K10A2-E6 PolarHBondContact O-N 2.99Å; A2-E6 VanDerWaalsContact O-N 3.08Å; L4-E6 VanDerWaalsContact C-N 3.35Å; L4-E6 PolarHBondContact O-N 2.96Å; E6-G9 PolarHBondContact O-N 3.33Å; E6-K10 WeakPolarHBondContact O-CG 3.47Å; E6-K10 PolarHBondContact O-N 3.45Å; E6-K10 WeakPolarHBondContact OE1-CE 3.3Å; E6-K10 IonicContact OE1-NZ 2.94Å; E6-K10 PolarHBondContact OE1-NZ 2.83Å
7S76.8Confident78.3Confident64 Ų64106.4 Ų106.445%0.44860%0.598SS.*Hα-helixtrans-70.9-39176.5-60.70000112.2K3 L4 K10 L11K3-S7 WeakPolarHBondContact O-CB 3.42Å; K3-S7 PolarHBondContact O-N 3.13Å; K3-S7 VanDerWaalsContact O-N 3.12Å; K3-S7 PolarHBondContact O-OG 3.26Å; L4-S7 PolarHBondContact O-N 2.92Å; S7-K10 PolarHBondContact O-N 3.34Å; S7-L11 WeakPolarHBondContact O-CB 3.31Å; S7-L11 WeakPolarHBondContact O-CG 3.31Å; S7-L11 PolarHBondContact O-N 3.07Å
8I81.8Confident78.5Confident106 Ų106102.3 Ų102.354%0.54458%0.584SS.*Hα-helixtrans-65.3-40.6174-68164.2000110.5L4 L11 G12L4-I8 HydrophobicContact CD2-CD1 4.37Å; L4-I8 WeakPolarHBondContact O-CB 3.31Å; L4-I8 WeakPolarHBondContact O-CD1 3.41Å; L4-I8 WeakPolarHBondContact O-CG1 3.35Å; L4-I8 PolarHBondContact O-N 3.47Å; I8-L11 PolarHBondContact O-N 3.27Å; I8-G12 PolarHBondContact O-N 2.95Å
9G82.6Confident78.7Confident44 Ų4499.2 Ų99.245%0.45458%0.576SS.*Hα-helixtrans-62.9-42.9174.500000113F5 E6 G12 L13F5-G9 PolarHBondContact O-N 2.9Å; E6-G9 PolarHBondContact O-N 3.33Å; G9-G12 PolarHBondContact O-N 3.23Å; G9-L13 WeakPolarHBondContact O-CB 3.27Å; G9-L13 PolarHBondContact O-N 2.96Å
10K82.9Confident78.8Confident127 Ų12796.2 Ų96.255%0.55257%0.568SS**Hα-helixtrans-65.3-40.7175.2-73.7173.2-173.1169.80112.3E6 S7 A14E6-K10 WeakPolarHBondContact O-CG 3.47Å; E6-K10 PolarHBondContact O-N 3.45Å; E6-K10 WeakPolarHBondContact OE1-CE 3.3Å; E6-K10 IonicContact OE1-NZ 2.94Å; E6-K10 PolarHBondContact OE1-NZ 2.83Å; S7-K10 PolarHBondContact O-N 3.34Å; K10-A14 VanDerWaalsContact O-CB 3.31Å; K10-A14 WeakPolarHBondContact O-CB 3.23Å; K10-A14 PolarHBondContact O-N 2.84Å
11L84.3Confident78.9Confident114 Ų11495.5 Ų95.560%0.59756%0.564SS**Hα-helixtrans-66.5-42.1175.3-79.9160.7000112.1S7 I8 A14 L15S7-L11 WeakPolarHBondContact O-CB 3.31Å; S7-L11 WeakPolarHBondContact O-CG 3.31Å; S7-L11 PolarHBondContact O-N 3.07Å; I8-L11 PolarHBondContact O-N 3.27Å; L11-A14 PolarHBondContact O-N 3.36Å; L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.36Å
12G86Confident80.1Confident38 Ų3889.8 Ų89.839%0.39254%0.54SS..Hα-helixtrans-63.6-42.1175.300000112.7I8 G9 L15 A16I8-G12 PolarHBondContact O-N 2.95Å; G9-G12 PolarHBondContact O-N 3.23Å; G12-L15 PolarHBondContact O-N 2.94Å; G12-A16 WeakPolarHBondContact O-CB 3.39Å; G12-A16 PolarHBondContact O-N 3.09Å
13L86.3Confident80.8Confident117 Ų11791.8 Ų91.861%0.61354%0.54SS*.Hα-helixtrans-66-42.2175.1-172.967.6000111.6G9 L15 A16 V17G9-L13 WeakPolarHBondContact O-CB 3.27Å; G9-L13 PolarHBondContact O-N 2.96Å; L13-L15 PolarHBondContact O-N 3.45Å; L13-A16 PolarHBondContact O-N 3.38Å; L13-V17 HydrophobicContact CD1-CG2 4.47Å; L13-V17 HydrophobicContact CG-CG2 4.46Å; L13-V17 WeakPolarHBondContact O-CB 3.34Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.87Å
14A84.1Confident81.6Confident63 Ų6386.4 Ų86.452%0.52152%0.524SS..Hα-helixtrans-63.6-39.9176.500000112.3K10 L11 G18K10-A14 VanDerWaalsContact O-CB 3.31Å; K10-A14 WeakPolarHBondContact O-CB 3.23Å; K10-A14 PolarHBondContact O-N 2.84Å; L11-A14 PolarHBondContact O-N 3.36Å; A14-G18 PolarHBondContact O-N 3.29Å
15L86.8Confident82.1Confident132 Ų13281 Ų8169%0.69150%0.496SS*.Hα-helixtrans-66.1-41173.4-87.6159.5000112.3L11 G12 L13 G19L11-L15 WeakPolarHBondContact O-CB 3.45Å; L11-L15 PolarHBondContact O-N 3.36Å; G12-L15 PolarHBondContact O-N 2.94Å; L13-L15 PolarHBondContact O-N 3.45Å; L15-G19 PolarHBondContact O-N 3.08Å
16A84.4Confident82.7Confident66 Ų6676.6 Ų76.655%0.54548%0.48SS..Hα-helixtrans-66.3-44177.600000111.9G12 L13 G20G12-A16 WeakPolarHBondContact O-CB 3.39Å; G12-A16 PolarHBondContact O-N 3.09Å; L13-A16 PolarHBondContact O-N 3.38Å; A16-G20 PolarHBondContact O-N 3.21Å
17V84.4Confident83.2Confident90 Ų9072.4 Ų72.455%0.54546%0.46SS..Hα-helixtrans-66.1-45.8175.5173.80000110.3L13 G20 V21L13-V17 HydrophobicContact CD1-CG2 4.47Å; L13-V17 HydrophobicContact CG-CG2 4.46Å; L13-V17 WeakPolarHBondContact O-CB 3.34Å; L13-V17 VanDerWaalsContact O-CG2 3.26Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 2.87Å; V17-G20 PolarHBondContact O-N 3.22Å; V17-V21 HydrophobicContact CG1-CG2 4.49Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.22Å; V17-V21 PolarHBondContact O-N 2.96Å
18G82.2Confident83.8Confident34 Ų3474 Ų7435%0.35146%0.463SS..Hα-helixtrans-60.9-45.8177.100000112.7A14 V21 V22A14-G18 PolarHBondContact O-N 3.29Å; G18-V21 PolarHBondContact O-N 3.48Å; G18-V22 WeakPolarHBondContact O-CG2 3.39Å; G18-V22 PolarHBondContact O-N 2.9Å
19G82Confident84.2Confident42 Ų4269.2 Ų69.243%0.43344%0.439SS..Hα-helixtrans-63.7-39.6175.500000112.8L15 V22 N23L15-G19 PolarHBondContact O-N 3.08Å; G19-V22 PolarHBondContact O-N 2.82Å; G19-N23 VanDerWaalsContact O-CB 3.3Å; G19-N23 WeakPolarHBondContact O-CB 3.49Å; G19-N23 PolarHBondContact O-N 2.88Å
20G81.5Confident84.5Confident40 Ų4072.6 Ų72.641%0.41245%0.447SS..Hα-helixtrans-64.9-39.2174.600000113.1A16 V17 S24A16-G20 PolarHBondContact O-N 3.21Å; V17-G20 PolarHBondContact O-N 3.22Å; G20-S24 WeakPolarHBondContact O-CB 3.43Å; G20-S24 PolarHBondContact O-N 2.86Å; G20-S24 PolarHBondContact O-OG 3.42Å
21V81.5Confident84.7Confident81 Ų8169.4 Ų69.449%0.49144%0.444SS..Hα-helixtrans-66.7-44.5175.41730000110.9V17 G18 S24 A25V17-V21 HydrophobicContact CG1-CG2 4.49Å; V17-V21 VanDerWaalsContact O-CG2 3.28Å; V17-V21 WeakPolarHBondContact O-CG2 3.22Å; V17-V21 PolarHBondContact O-N 2.96Å; G18-V21 PolarHBondContact O-N 3.48Å; V21-S24 WeakPolarHBondContact CA-OG 3.22Å; V21-S24 PolarHBondContact O-N 2.83Å; V21-S24 PolarHBondContact O-OG 3.41Å; V21-A25 WeakPolarHBondContact O-CB 3.35Å; V21-A25 PolarHBondContact O-N 3.49Å
22V81.3Confident84.8Confident80 Ų8065.3 Ų65.349%0.48543%0.429SS..Hα-helixtrans-63.9-43.8177173.30000111.2G18 G19 S24 A25 L26G18-V22 WeakPolarHBondContact O-CG2 3.39Å; G18-V22 PolarHBondContact O-N 2.9Å; G19-V22 PolarHBondContact O-N 2.82Å; V22-S24 PolarHBondContact O-N 3.22Å; V22-A25 PolarHBondContact O-N 2.88Å; V22-A25 VanDerWaalsContact O-N 3.17Å; V22-L26 HydrophobicContact CG1-CD1 4.29Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 3.36Å
23N79.8Confident85.1Confident124 Ų12465.6 Ų65.666%0.66342%0.42SS*.Hα-helixtrans-66.2-38.5179.4-169.949.7000112.3G19 A25 L26G19-N23 VanDerWaalsContact O-CB 3.3Å; G19-N23 WeakPolarHBondContact O-CB 3.49Å; G19-N23 PolarHBondContact O-N 2.88Å; N23-A25 PolarHBondContact O-N 3.19Å; N23-L26 PolarHBondContact O-N 3.36Å
24S81.1Confident85.3Confident61 Ų6164.2 Ų64.243%0.42741%0.407SS..Hα-helixtrans-72.8-17.6175.158.10000113.7G20 V21 V22 P58G20-S24 WeakPolarHBondContact O-CB 3.43Å; G20-S24 PolarHBondContact O-N 2.86Å; G20-S24 PolarHBondContact O-OG 3.42Å; V21-S24 WeakPolarHBondContact CA-OG 3.22Å; V21-S24 PolarHBondContact O-N 2.83Å; V21-S24 PolarHBondContact O-OG 3.41Å; V22-S24 PolarHBondContact O-N 3.22Å; S24-P58 WeakPolarHBondContact OG-CG 3.41Å
25A83.1Confident85.7Confident0 Ų061.2 Ų61.20%038%0.382CS..Hα-helixtrans-88-13.6177.500000113.3V21 V22 N23 F55 L56 P58V21-A25 WeakPolarHBondContact O-CB 3.35Å; V21-A25 PolarHBondContact O-N 3.49Å; V22-A25 PolarHBondContact O-N 2.88Å; V22-A25 VanDerWaalsContact O-N 3.17Å; N23-A25 PolarHBondContact O-N 3.19Å; A25-F55 HydrophobicContact CB-CD2 3.87Å; A25-F55 HydrophobicContact CB-CE1 4.2Å; A25-F55 HydrophobicContact CB-CE2 3.28Å; A25-F55 HydrophobicContact CB-CZ 3.48Å; A25-F55 VanDerWaalsContact CB-CZ 3.48Å; A25-F55 CarbonylContact O-C 3.53Å; A25-F55 WeakPolarHBondContact O-CA 3.28Å; A25-L56 VanDerWaalsContact CA-O 3.31Å; A25-L56 WeakPolarHBondContact CA-O 3.42Å; A25-L56 VanDerWaalsContact CB-O 3.23Å; A25-L56 WeakPolarHBondContact CB-O 3.45Å; A25-L56 PolarHBondContact O-N 3.41Å; A25-P58 HydrophobicContact CB-CG 3.74Å
26L86.4Confident85.9Confident78 Ų7854.9 Ų54.941%0.40835%0.349SS..EExtended strand (participates in β ladder)trans-92.5133.8176-67.2170.2000109.9V22 N23 T53 F55V22-L26 HydrophobicContact CG1-CD1 4.29Å; V22-L26 WeakPolarHBondContact O-CG 3.39Å; V22-L26 PolarHBondContact O-N 3.36Å; N23-L26 PolarHBondContact O-N 3.36Å; L26-T53 HydrophobicContact CB-CG2 4.42Å; L26-T53 HydrophobicContact CD2-CG2 4.05Å; L26-F55 HydrophobicContact CD2-CD2 4.18Å
27F88.6Confident86.2Confident20 Ų2052.5 Ų52.59%0.08833%0.327CS..EExtended strand (participates in β ladder)trans-134.7150.5168.776.6-78.3000110.3V29 A35 V49 T53 H54 L56 P63F27-V29 HydrophobicContact CD2-CG2 3.92Å; F27-V29 HydrophobicContact CE2-CG2 3.52Å; F27-A35 HydrophobicContact CE2-CB 3.94Å; F27-V49 HydrophobicContact CZ-CG1 4.18Å; F27-T53 WeakPolarHBondContact O-CA 3.31Å; F27-H54 HydrophobicContact CD1-CB 4.05Å; F27-H54 VanDerWaalsContact CD1-O 3.27Å; F27-H54 WeakPolarHBondContact CD1-O 3.29Å; F27-H54 HydrophobicContact CE1-CB 3.41Å; F27-H54 VanDerWaalsContact CE1-CB 3.41Å; F27-H54 HydrophobicContact CE2-CB 4.24Å; F27-H54 HydrophobicContact CZ-CB 3.53Å; F27-H54 PolarHBondContact N-O 2.91Å; F27-H54 PolarHBondContact O-N 3.37Å; F27-L56 HydrophobicContact CB-CD2 3.99Å; F27-L56 HydrophobicContact CD1-CB 3.91Å; F27-L56 HydrophobicContact CD1-CD2 3.41Å; F27-L56 VanDerWaalsContact CD1-CD2 3.41Å; F27-L56 HydrophobicContact CD1-CG 3.74Å; F27-L56 HydrophobicContact CE1-CB 3.91Å; F27-L56 HydrophobicContact CE1-CD2 3.99Å; F27-L56 HydrophobicContact CE1-CG 4.27Å; F27-L56 HydrophobicContact CG-CD2 3.83Å; F27-P63 HydrophobicContact CB-CG 4.48Å; F27-P63 HydrophobicContact CD2-CB 3.86Å; F27-P63 HydrophobicContact CD2-CG 4.1Å; F27-P63 HydrophobicContact CE2-CB 3.8Å; F27-P63 HydrophobicContact CG-CB 4.37Å; F27-P63 HydrophobicContact CG-CG 4.23Å; F27-P63 HydrophobicContact CZ-CB 4.26Å
28N88.4Confident86.4Confident97 Ų9751.9 Ų51.952%0.51932%0.317SS..EExtended strand (participates in β ladder)trans-112.9136-176.9-69.162000109.1T53N28-T53 PolarHBondContact ND2-OG1 3.31Å
29V90.6Very high86.8Confident5 Ų550.9 Ų50.93%0.0330%0.304CS..EExtended strand (participates in β ladder)trans-110.9116.9172.1-177.20000107.8F27 H33 A35 G50 G52F27-V29 HydrophobicContact CD2-CG2 3.92Å; F27-V29 HydrophobicContact CE2-CG2 3.52Å; V29-H33 HydrophobicContact CG1-CB 4.04Å; V29-H33 WeakPolarHBondContact CG1-O 3.47Å; V29-A35 HydrophobicContact CG2-CB 3.79Å; V29-G50 WeakPolarHBondContact CB-O 3.44Å; V29-G52 PolarHBondContact N-O 2.88Å; V29-G52 PolarHBondContact O-N 3.42Å
30D89.4Confident87Confident115 Ų11557.1 Ų57.162%0.61531%0.314SS*.  trans-68.4157.7179.7-70-34.4000112.2G32 H33D30-G32 PolarHBondContact O-N 3.49Å; D30-H33 WeakPolarHBondContact O-CB 3.37Å; D30-H33 PolarHBondContact O-N 2.82Å
31A87.3Confident87.2Confident60 Ų6063.3 Ų63.350%0.49633%0.33SS..THydrogen-bonded Turntrans-55.9136.2178.400000111.7H33 E51 R69A31-H33 PolarHBondContact O-N 3.43Å; A31-H33 PolarHBondContact O-ND1 3.38Å; A31-E51 WeakPolarHBondContact CA-OE2 3.35Å; A31-R69 PolarHBondContact O-NH2 2.92Å
32G86.1Confident87.3Confident28 Ų2870 Ų7029%0.28935%0.346SS..THydrogen-bonded Turntrans74.11.7-177.600000115.4D30 C68D30-G32 PolarHBondContact O-N 3.49Å; G32-C68 WeakPolarHBondContact O-CB 3.4Å; G32-C68 PolarHBondContact O-N 3.43Å
33H91.8Very high87.6Confident44 Ų4467.2 Ų67.220%0.20434%0.335CS..EExtended strand (participates in β ladder)trans-103.1158.6168.1-64.173.5000110.5V29 D30 A31 I65 F66V29-H33 HydrophobicContact CG1-CB 4.04Å; V29-H33 WeakPolarHBondContact CG1-O 3.47Å; D30-H33 WeakPolarHBondContact O-CB 3.37Å; D30-H33 PolarHBondContact O-N 2.82Å; A31-H33 PolarHBondContact O-N 3.43Å; A31-H33 PolarHBondContact O-ND1 3.38Å; H33-I65 HydrophobicContact CB-CG2 3.63Å; H33-F66 CarbonylContact C-O 3.55Å; H33-F66 VanDerWaalsContact CA-O 3.24Å; H33-F66 WeakPolarHBondContact CA-O 3.39Å
34R91.4Very high87.9Confident88 Ų8863 Ų6333%0.33231%0.313SS..EExtended strand (participates in β ladder)trans-136.8145.3170.7-67.8-166.1178.8-145.61.5110.2V48 V49 F66 T99 L102R34-V48 HydrophobicContact CB-CG1 3.77Å; R34-V48 HydrophobicContact CG-CG1 4.29Å; R34-V49 WeakPolarHBondContact CA-O 3.49Å; R34-F66 PolarHBondContact N-O 2.95Å; R34-F66 PolarHBondContact O-N 2.9Å; R34-T99 VanDerWaalsContact NE-CG2 3.26Å; R34-L102 HydrophobicContact CB-CD1 3.63Å; R34-L102 HydrophobicContact CG-CD1 4.45Å
35A90.6Very high88.2Confident0 Ų062.7 Ų62.70%031%0.305CS..EExtended strand (participates in β ladder)trans-106.6135.4-18000000111.5F27 V29 V49 P63 I64 I65F27-A35 HydrophobicContact CE2-CB 3.94Å; V29-A35 HydrophobicContact CG2-CB 3.79Å; A35-V49 HydrophobicContact CB-CB 4.24Å; A35-V49 PolarHBondContact N-O 2.94Å; A35-V49 PolarHBondContact O-N 3.26Å; A35-P63 HydrophobicContact CB-CB 4.49Å; A35-I64 CarbonylContact C-O 3.52Å; A35-I64 VanDerWaalsContact CA-O 3.28Å; A35-I64 WeakPolarHBondContact CA-O 3.35Å; A35-I65 HydrophobicContact CB-CG1 4.37Å
36V91.4Very high88.2Confident0 Ų069.7 Ų69.70%034%0.342CS..EExtended strand (participates in β ladder)trans-101.3129165.4179.10000107.4V44 I64 F66 L102 P103V36-V44 HydrophobicContact CG1-CG1 3.47Å; V36-V44 VanDerWaalsContact CG1-CG1 3.47Å; V36-I64 PolarHBondContact N-O 3.2Å; V36-I64 PolarHBondContact O-N 3.45Å; V36-F66 HydrophobicContact CB-CE2 4.24Å; V36-F66 HydrophobicContact CG2-CD2 4Å; V36-F66 HydrophobicContact CG2-CE2 3.92Å; V36-L102 HydrophobicContact CG2-CB 3.62Å; V36-P103 HydrophobicContact CG1-CB 4.25Å; V36-P103 HydrophobicContact CG1-CG 4.26Å; V36-P103 HydrophobicContact CG2-CG 4.31Å
37I90.4Very high88.1Confident16 Ų1668.9 Ų68.98%0.08235%0.347CS..EExtended strand (participates in β ladder)trans-89.9122.9-180-59.7174.9000109.3Q45 V49 Q61I37-Q45 HydrophobicContact CB-CB 4.48Å; I37-Q45 HydrophobicContact CB-CG 4.4Å; I37-Q45 PolarHBondContact O-N 2.93Å; I37-V49 HydrophobicContact CD1-CG2 3.63Å; I37-V49 HydrophobicContact CG1-CG2 3.99Å; I37-Q61 HydrophobicContact CG2-CB 3.94Å; I37-Q61 HydrophobicContact CG2-CG 4Å
38F90.1Very high88.1Confident77 Ų7769.6 Ų69.634%0.33835%0.353SS..EExtended strand (participates in β ladder)trans-95.2118.9166.4177.9-98.7000109.9V44 Q61 K62 I64F38-V44 HydrophobicContact CD2-CG2 3.86Å; F38-Q61 CarbonylContact O-C 3.57Å; F38-Q61 VanDerWaalsContact O-CA 3.3Å; F38-Q61 WeakPolarHBondContact O-CA 3.3Å; F38-K62 PolarHBondContact N-O 2.96Å; F38-K62 PolarHBondContact O-N 3.22Å; F38-I64 HydrophobicContact CB-CD1 4.05Å
39D89.9Confident88.2Confident13 Ų1366 Ų667%0.0734%0.335CS..EExtended strand (participates in β ladder)trans-99.1131173.9-166.5-45.3000110F41 R42 G43 V60 Q61D39-F41 PolarHBondContact O-N 2.98Å; D39-F41 PolarHBondContact OD1-N 3.18Å; D39-R42 HydrophobicContact CB-CB 4.23Å; D39-G43 WeakPolarHBondContact CB-O 3.43Å; D39-G43 PolarHBondContact N-O 2.87Å; D39-G43 VanDerWaalsContact O-CA 3.24Å; D39-G43 WeakPolarHBondContact O-CA 3.49Å; D39-G43 PolarHBondContact O-N 2.97Å; D39-V60 WeakPolarHBondContact OD1-CG1 3.32Å; D39-Q61 HydrophobicContact CB-CG 4.45Å
40R85.6Confident88.1Confident172 Ų17267.1 Ų67.165%0.64935%0.347SS*.THydrogen-bonded Turntrans-56.5-33178.3-168.381.472.9133.17.9112.9W59 V60R40-W59 PolarHBondContact NH2-O 3.24Å; R40-V60 WeakPolarHBondContact CB-O 3.47Å; R40-V60 PolarHBondContact N-O 3.48Å
41F86.9Confident88.1Confident170 Ų17067.9 Ų67.975%0.74635%0.347SS*.THydrogen-bonded Turntrans-97.6-34.4-173.8-60.2-73000113.5D39 V60D39-F41 PolarHBondContact O-N 2.98Å; D39-F41 PolarHBondContact OD1-N 3.18Å; F41-V60 HydrophobicContact CD2-CG1 3.61Å; F41-V60 HydrophobicContact CE2-CB 4.49Å; F41-V60 HydrophobicContact CE2-CG1 3.71Å; F41-V60 HydrophobicContact CE2-CG2 4.02Å
42R82.9Confident88.2Confident221 Ų22166.6 Ų66.683%0.83434%0.34SS*.THydrogen-bonded Turntrans-105.4-8.9-175.4-67.3-179.1178.2171.70113.7D39D39-R42 HydrophobicContact CB-CB 4.23Å
43G86.8Confident88.3Confident23 Ų2369.2 Ų69.224%0.23735%0.35CS..EExtended strand (participates in β ladder)trans78.9-150.7-174.600000112.3D39D39-G43 WeakPolarHBondContact CB-O 3.43Å; D39-G43 PolarHBondContact N-O 2.87Å; D39-G43 VanDerWaalsContact O-CA 3.24Å; D39-G43 WeakPolarHBondContact O-CA 3.49Å; D39-G43 PolarHBondContact O-N 2.97Å
44V87.1Confident88.1Confident34 Ų3470.1 Ų70.121%0.20635%0.354CS..EExtended strand (participates in β ladder)trans-73.3128.1-178.2-178.90000109.9V36 F38 P103 F106 T107V36-V44 HydrophobicContact CG1-CG1 3.47Å; V36-V44 VanDerWaalsContact CG1-CG1 3.47Å; F38-V44 HydrophobicContact CD2-CG2 3.86Å; V44-P103 HydrophobicContact CG1-CB 3.96Å; V44-F106 HydrophobicContact CG1-CD1 4.21Å; V44-F106 HydrophobicContact CG2-CD1 3.69Å; V44-F106 HydrophobicContact CG2-CE1 3.67Å; V44-T107 HydrophobicContact CB-CG2 3.81Å; V44-T107 HydrophobicContact CG1-CG2 4.1Å; V44-T107 HydrophobicContact CG2-CG2 3.66Å
45Q86.3Confident87.9Confident56 Ų5672.4 Ų72.426%0.26237%0.367SS..EExtended strand (participates in β ladder)trans-81.7141.1175.8-60.8-175.12500111.2I37 A47 P103I37-Q45 HydrophobicContact CB-CB 4.48Å; I37-Q45 HydrophobicContact CB-CG 4.4Å; I37-Q45 PolarHBondContact O-N 2.93Å; Q45-A47 VanDerWaalsContact C-N 3.25Å; Q45-A47 PolarHBondContact O-N 3.44Å; Q45-P103 WeakPolarHBondContact O-CG 3.36Å
46D83.1Confident87.8Confident146 Ų14673 Ų7378%0.78137%0.37SS*.EExtended strand (participates in β ladder)trans-72.4-20177.3-66-39000113V48D46-V48 PolarHBondContact O-N 3.45Å
47A85.6Confident87.6Confident62 Ų6277.2 Ų77.251%0.51239%0.391SS..EExtended strand (participates in β ladder)trans-77121.517900000110.7Q45Q45-A47 VanDerWaalsContact C-N 3.25Å; Q45-A47 PolarHBondContact O-N 3.44Å
48V88.4Confident87.1Confident35 Ų3577.8 Ų77.821%0.21240%0.397CS..EExtended strand (participates in β ladder)trans-91.6125.9175.4-1800000109.7R34 D46 T99 L102 P103R34-V48 HydrophobicContact CB-CG1 3.77Å; R34-V48 HydrophobicContact CG-CG1 4.29Å; D46-V48 PolarHBondContact O-N 3.45Å; V48-T99 WeakPolarHBondContact CG2-O 3.05Å; V48-L102 HydrophobicContact CG1-CD1 3.85Å; V48-L102 HydrophobicContact CG2-CB 4.2Å; V48-P103 HydrophobicContact CG2-CG 3.72Å
49V89.8Confident86.6Confident22 Ų2285.2 Ų85.213%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-87.5126.6179.1-1790000109.5F27 R34 A35 I37 H54F27-V49 HydrophobicContact CZ-CG1 4.18Å; R34-V49 WeakPolarHBondContact CA-O 3.49Å; A35-V49 HydrophobicContact CB-CB 4.24Å; A35-V49 PolarHBondContact N-O 2.94Å; A35-V49 PolarHBondContact O-N 3.26Å; I37-V49 HydrophobicContact CD1-CG2 3.63Å; I37-V49 HydrophobicContact CG1-CG2 3.99Å; V49-H54 HydrophobicContact CG1-CB 4.08Å; V49-H54 WeakPolarHBondContact CG1-CD2 3.34Å; V49-H54 VanDerWaalsContact CG1-NE2 3.31Å; V49-H54 WeakPolarHBondContact CG1-NE2 3.48Å
50G88.6Confident86.5Confident28 Ų2886.4 Ų86.429%0.28943%0.43SS..  trans-78.7-172.7177.800000113.4V29 H54V29-G50 WeakPolarHBondContact CB-O 3.44Å; G50-H54 PolarHBondContact O-NE2 3.25Å
51E89.1Confident86.7Confident130 Ų13079.9 Ų79.961%0.60741%0.407SS*.SBendtrans-60.9151.2175.359.8-167-165.800112.6A31 H54A31-E51 WeakPolarHBondContact CA-OE2 3.35Å; E51-H54 PolarHBondContact O-NE2 2.92Å
52G89.5Confident86.8Confident34 Ų3478.1 Ų78.135%0.35140%0.399SS..EExtended strand (participates in β ladder)trans117.5-178.2179.300000114.6V29 H54V29-G52 PolarHBondContact N-O 2.88Å; V29-G52 PolarHBondContact O-N 3.42Å; G52-H54 PolarHBondContact O-CD2 3.02Å; G52-H54 VanDerWaalsContact O-CD2 3.23Å
53T88.6Confident87.1Confident83 Ų8369.4 Ų69.451%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-88.2123.2177.1-480000109.7L26 F27 N28L26-T53 HydrophobicContact CB-CG2 4.42Å; L26-T53 HydrophobicContact CD2-CG2 4.05Å; F27-T53 WeakPolarHBondContact O-CA 3.31Å; N28-T53 PolarHBondContact ND2-OG1 3.31Å
54H88.8Confident87.3Confident63 Ų6369 Ų6929%0.29236%0.363SS..EExtended strand (participates in β ladder)trans-123.6158.1-178.6-62.8-78.6000110.6F27 V49 G50 E51 G52F27-H54 HydrophobicContact CD1-CB 4.05Å; F27-H54 VanDerWaalsContact CD1-O 3.27Å; F27-H54 WeakPolarHBondContact CD1-O 3.29Å; F27-H54 HydrophobicContact CE1-CB 3.41Å; F27-H54 VanDerWaalsContact CE1-CB 3.41Å; F27-H54 HydrophobicContact CE2-CB 4.24Å; F27-H54 HydrophobicContact CZ-CB 3.53Å; F27-H54 PolarHBondContact N-O 2.91Å; F27-H54 PolarHBondContact O-N 3.37Å; V49-H54 HydrophobicContact CG1-CB 4.08Å; V49-H54 WeakPolarHBondContact CG1-CD2 3.34Å; V49-H54 VanDerWaalsContact CG1-NE2 3.31Å; V49-H54 WeakPolarHBondContact CG1-NE2 3.48Å; G50-H54 PolarHBondContact O-NE2 3.25Å; E51-H54 PolarHBondContact O-NE2 2.92Å; G52-H54 PolarHBondContact O-CD2 3.02Å; G52-H54 VanDerWaalsContact O-CD2 3.23Å
55F87.3Confident87.5Confident135 Ų13571.5 Ų71.559%0.59237%0.374SS*.EExtended strand (participates in β ladder)trans-99.8131.4178.4-167.9-92.7000109.9A25 L26A25-F55 HydrophobicContact CB-CD2 3.87Å; A25-F55 HydrophobicContact CB-CE1 4.2Å; A25-F55 HydrophobicContact CB-CE2 3.28Å; A25-F55 HydrophobicContact CB-CZ 3.48Å; A25-F55 VanDerWaalsContact CB-CZ 3.48Å; A25-F55 CarbonylContact O-C 3.53Å; A25-F55 WeakPolarHBondContact O-CA 3.28Å; L26-F55 HydrophobicContact CD2-CD2 4.18Å
56L88.4Confident87.7Confident13 Ų1369.2 Ų69.27%0.06836%0.364CS..  trans-124.6157.7171.765.277.7000110A25 F27 P58 Q61 P63A25-L56 VanDerWaalsContact CA-O 3.31Å; A25-L56 WeakPolarHBondContact CA-O 3.42Å; A25-L56 VanDerWaalsContact CB-O 3.23Å; A25-L56 WeakPolarHBondContact CB-O 3.45Å; A25-L56 PolarHBondContact O-N 3.41Å; F27-L56 HydrophobicContact CB-CD2 3.99Å; F27-L56 HydrophobicContact CD1-CB 3.91Å; F27-L56 HydrophobicContact CD1-CD2 3.41Å; F27-L56 VanDerWaalsContact CD1-CD2 3.41Å; F27-L56 HydrophobicContact CD1-CG 3.74Å; F27-L56 HydrophobicContact CE1-CB 3.91Å; F27-L56 HydrophobicContact CE1-CD2 3.99Å; F27-L56 HydrophobicContact CE1-CG 4.27Å; F27-L56 HydrophobicContact CG-CD2 3.83Å; L56-P58 HydrophobicContact CD1-CG 4.44Å; L56-P58 VanDerWaalsContact O-CD 3.27Å; L56-P58 WeakPolarHBondContact O-CD 3.45Å; L56-Q61 HydrophobicContact CB-CB 4.24Å; L56-P63 HydrophobicContact CD2-CB 4.38Å; L56-P63 HydrophobicContact CD2-CG 3.67Å
57I86.3Confident88.1Confident88 Ų8864.1 Ų64.145%0.45134%0.337SS..  trans-85.4112.4172.8-58.7173.1000108.3V60 Q61I57-V60 HydrophobicContact CB-CB 4.31Å; I57-V60 HydrophobicContact CG2-CB 3.98Å; I57-V60 HydrophobicContact CG2-CG2 3.94Å; I57-V60 PolarHBondContact O-N 2.99Å; I57-Q61 HydrophobicContact CB-CG 4.49Å; I57-Q61 PolarHBondContact O-N 2.94Å
58P79.1Confident88.3Confident29 Ų2962 Ų6219%0.18832%0.318CS..THydrogen-bonded Turntrans-54.9144.8178.5-2435.3000110.3S24 A25 L56 V60S24-P58 WeakPolarHBondContact OG-CG 3.41Å; A25-P58 HydrophobicContact CB-CG 3.74Å; L56-P58 HydrophobicContact CD1-CG 4.44Å; L56-P58 VanDerWaalsContact O-CD 3.27Å; L56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-V60 PolarHBondContact O-N 3.48Å
59W81.6Confident88.5Confident232 Ų23266.6 Ų66.688%0.87933%0.331SS*.THydrogen-bonded Turntrans72.8-29.9-178.9-61.768.6000117.2R40R40-W59 PolarHBondContact NH2-O 3.24Å
60V87Confident88.7Confident39 Ų3968 Ų6824%0.23634%0.342CS..THydrogen-bonded Turntrans-92.7-43.8-179.8-178.70000111.1D39 R40 F41 I57 P58D39-V60 WeakPolarHBondContact OD1-CG1 3.32Å; R40-V60 WeakPolarHBondContact CB-O 3.47Å; R40-V60 PolarHBondContact N-O 3.48Å; F41-V60 HydrophobicContact CD2-CG1 3.61Å; F41-V60 HydrophobicContact CE2-CB 4.49Å; F41-V60 HydrophobicContact CE2-CG1 3.71Å; F41-V60 HydrophobicContact CE2-CG2 4.02Å; I57-V60 HydrophobicContact CB-CB 4.31Å; I57-V60 HydrophobicContact CG2-CB 3.98Å; I57-V60 HydrophobicContact CG2-CG2 3.94Å; I57-V60 PolarHBondContact O-N 2.99Å; P58-V60 PolarHBondContact O-N 3.48Å
61Q89Confident88.9Confident35 Ų3570.4 Ų70.416%0.16434%0.342CS..EExtended strand (participates in β ladder)trans-109.3136-176-68.6176.5-21.700110.9I37 F38 D39 L56 I57I37-Q61 HydrophobicContact CG2-CB 3.94Å; I37-Q61 HydrophobicContact CG2-CG 4Å; F38-Q61 CarbonylContact O-C 3.57Å; F38-Q61 VanDerWaalsContact O-CA 3.3Å; F38-Q61 WeakPolarHBondContact O-CA 3.3Å; D39-Q61 HydrophobicContact CB-CG 4.45Å; L56-Q61 HydrophobicContact CB-CB 4.24Å; I57-Q61 HydrophobicContact CB-CG 4.49Å; I57-Q61 PolarHBondContact O-N 2.94Å
62K89.1Confident89.1Confident133 Ų13367.8 Ų67.858%0.57834%0.337SS*.EExtended strand (participates in β ladder)trans-122.2123.2174.1-172.3-176.3177.4-1680109F38F38-K62 PolarHBondContact N-O 2.96Å; F38-K62 PolarHBondContact O-N 3.22Å
63P89.8Confident89.3Confident37 Ų3771.1 Ų71.124%0.2434%0.339CS..EExtended strand (participates in β ladder)trans-82.5132.6175.533.1-27.7000109.2F27 A35 L56F27-P63 HydrophobicContact CB-CG 4.48Å; F27-P63 HydrophobicContact CD2-CB 3.86Å; F27-P63 HydrophobicContact CD2-CG 4.1Å; F27-P63 HydrophobicContact CE2-CB 3.8Å; F27-P63 HydrophobicContact CG-CB 4.37Å; F27-P63 HydrophobicContact CG-CG 4.23Å; F27-P63 HydrophobicContact CZ-CB 4.26Å; A35-P63 HydrophobicContact CB-CB 4.49Å; L56-P63 HydrophobicContact CD2-CB 4.38Å; L56-P63 HydrophobicContact CD2-CG 3.67Å
64I90.6Very high89.5Confident14 Ų1471.2 Ų71.27%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-112.6115.9172.7-61.1154.1000106.8A35 V36 F38 F66 F106 E111A35-I64 CarbonylContact C-O 3.52Å; A35-I64 VanDerWaalsContact CA-O 3.28Å; A35-I64 WeakPolarHBondContact CA-O 3.35Å; V36-I64 PolarHBondContact N-O 3.2Å; V36-I64 PolarHBondContact O-N 3.45Å; F38-I64 HydrophobicContact CB-CD1 4.05Å; I64-F66 HydrophobicContact CB-CE2 4.27Å; I64-F66 HydrophobicContact CG2-CD2 4.23Å; I64-F66 HydrophobicContact CG2-CE2 3.53Å; I64-F66 HydrophobicContact CG2-CZ 3.87Å; I64-F106 HydrophobicContact CD1-CD1 4.06Å; I64-F106 HydrophobicContact CD1-CD2 4.38Å; I64-F106 HydrophobicContact CD1-CE1 3.38Å; I64-F106 HydrophobicContact CD1-CE2 3.72Å; I64-F106 HydrophobicContact CD1-CZ 3.2Å; I64-F106 HydrophobicContact CG1-CZ 4.45Å; I64-F106 HydrophobicContact CG2-CD2 4.48Å; I64-F106 HydrophobicContact CG2-CE2 4.35Å; I64-E111 HydrophobicContact CG2-CG 4.29Å; I64-E111 WeakPolarHBondContact CG2-OE1 3.27Å
65I90.9Very high89.8Confident87 Ų8768.5 Ų68.545%0.44632%0.324SS..EExtended strand (participates in β ladder)trans-97.3123.9-171.4-55.9175000108.7H33 A35H33-I65 HydrophobicContact CB-CG2 3.63Å; A35-I65 HydrophobicContact CB-CG1 4.37Å
66F91.1Very high90.1Very high9 Ų966.5 Ų66.54%0.03933%0.325CS..EExtended strand (participates in β ladder)trans-106.9135.8175.7-72-86.8000110.7H33 R34 V36 I64 C68 L102 F106 E111 Y113H33-F66 CarbonylContact C-O 3.55Å; H33-F66 VanDerWaalsContact CA-O 3.24Å; H33-F66 WeakPolarHBondContact CA-O 3.39Å; R34-F66 PolarHBondContact N-O 2.95Å; R34-F66 PolarHBondContact O-N 2.9Å; V36-F66 HydrophobicContact CB-CE2 4.24Å; V36-F66 HydrophobicContact CG2-CD2 4Å; V36-F66 HydrophobicContact CG2-CE2 3.92Å; I64-F66 HydrophobicContact CB-CE2 4.27Å; I64-F66 HydrophobicContact CG2-CD2 4.23Å; I64-F66 HydrophobicContact CG2-CE2 3.53Å; I64-F66 HydrophobicContact CG2-CZ 3.87Å; F66-C68 PolarHBondContact O-N 2.93Å; F66-L102 HydrophobicContact CB-CD1 4.41Å; F66-L102 HydrophobicContact CB-CD2 4.06Å; F66-L102 HydrophobicContact CD1-CD2 4.5Å; F66-L102 HydrophobicContact CG-CD2 4.11Å; F66-F106 HydrophobicContact CE2-CB 4.18Å; F66-F106 HydrophobicContact CE2-CD2 4.39Å; F66-F106 HydrophobicContact CE2-CG 4.42Å; F66-F106 HydrophobicContact CZ-CB 3.79Å; F66-F106 AromaticContact CZ-CD2 3.73Å; F66-F106 HydrophobicContact CZ-CD2 3.73Å; F66-F106 HydrophobicContact CZ-CG 4.05Å; F66-E111 HydrophobicContact CZ-CG 4.46Å; F66-Y113 HydrophobicContact CD1-CE1 4.02Å; F66-Y113 HydrophobicContact CE1-CD1 4.31Å; F66-Y113 HydrophobicContact CE1-CE1 4.27Å
67D91.3Very high90.4Very high39 Ų3966.1 Ų66.121%0.20932%0.323CS..EExtended strand (participates in β ladder)trans-76.8115.8167.5-172.7-0.2000109.5R69 R71D67-R69 WeakPolarHBondContact OD1-CB 3.18Å; D67-R69 WeakPolarHBondContact OD1-CD 3.23Å; D67-R69 WeakPolarHBondContact OD1-CG 3.43Å; D67-R69 PolarHBondContact OD1-N 3.45Å; D67-R71 IonicContact OD2-NE 3.48Å
68C90.8Very high90.7Very high17 Ų1767.3 Ų67.312%0.11533%0.329CS..  trans-96.78179.7-63.10000112.7G32 F66 T99G32-C68 WeakPolarHBondContact O-CB 3.4Å; G32-C68 PolarHBondContact O-N 3.43Å; F66-C68 PolarHBondContact O-N 2.93Å; C68-T99 HydrophobicContact CB-CG2 4.15Å
69R92.3Very high91.4Very high131 Ų13166.5 Ų66.549%0.49432%0.324SS..SBendtrans-78.7153.1178-60.5168.1-179-176.60.8111A31 D67 R71A31-R69 PolarHBondContact O-NH2 2.92Å; D67-R69 WeakPolarHBondContact OD1-CB 3.18Å; D67-R69 WeakPolarHBondContact OD1-CD 3.23Å; D67-R69 WeakPolarHBondContact OD1-CG 3.43Å; D67-R69 PolarHBondContact OD1-N 3.45Å; R69-R71 PolarHBondContact O-N 2.9Å
70S93.8Very high91.9Very high53 Ų5356.9 Ų56.937%0.37130%0.297SS..  trans-67.8119.3174.5-51.30000110.3F95 D165S70-F95 WeakPolarHBondContact CA-O 3.39Å; S70-D165 VanDerWaalsContact CB-OD2 3.29Å; S70-D165 WeakPolarHBondContact CB-OD2 3.44Å; S70-D165 PolarHBondContact OG-OD2 2.92Å
71R92.6Very high92.2Very high77 Ų7755.3 Ų55.329%0.29129%0.287SS..EExtended strand (participates in β ladder)trans-118.6136.9179.4-68.1-173-76.5129.8-3.5110.2D67 R69 F95 Y113 D114D67-R71 IonicContact OD2-NE 3.48Å; R69-R71 PolarHBondContact O-N 2.9Å; R71-F95 HydrophobicContact CB-CE1 4.42Å; R71-F95 PolarHBondContact N-O 2.96Å; R71-F95 WeakPolarHBondContact O-CD1 3.3Å; R71-F95 WeakPolarHBondContact O-CE1 3.37Å; R71-F95 PolarHBondContact O-N 3.49Å; R71-Y113 PolarHBondContact NH2-OH 3.42Å; R71-D114 IonicContact CZ-OD2 3.48Å; R71-D114 IonicContact NH1-OD2 2.71Å; R71-D114 PolarHBondContact NH1-OD2 2.92Å; R71-D114 IonicContact NH2-OD2 2.97Å; R71-D114 PolarHBondContact NH2-OD2 3.33Å
72P94.1Very high92.4Very high76 Ų7659.3 Ų59.349%0.49430%0.304SS..EExtended strand (participates in β ladder)trans-79.8140.3176.931.9-33.3000110.8I93 L94P72-I93 CarbonylContact C-O 3.31Å; P72-I93 WeakPolarHBondContact CA-O 3.32Å; P72-L94 HydrophobicContact CB-CD1 4.29Å
73R92.6Very high92.6Very high104 Ų10455.9 Ų55.939%0.39229%0.292SS..EExtended strand (participates in β ladder)trans-134.1130.9171.8-179.163.7166.5155.4-5.2109.7V75 I93 F95 L118R73-V75 HydrophobicContact CG-CG2 3.99Å; R73-I93 PolarHBondContact N-O 3.31Å; R73-I93 PolarHBondContact O-N 2.96Å; R73-F95 HydrophobicContact CB-CD1 4.22Å; R73-F95 HydrophobicContact CB-CE1 3.76Å; R73-L118 HydrophobicContact CG-CD1 4.46Å
74N93.8Very high92.6Very high84 Ų8461.4 Ų61.445%0.44932%0.319SS..EExtended strand (participates in β ladder)trans-102.6127172.9-62.3-21.4000108.9T90 L91 R92N74-T90 HydrophobicContact CB-CG2 4.23Å; N74-L91 CarbonylContact C-O 3.58Å; N74-L91 WeakPolarHBondContact CA-O 3.35Å; N74-R92 WeakPolarHBondContact OD1-CB 3.49Å; N74-R92 WeakPolarHBondContact OD1-CG 3.43Å
75V93.6Very high92.6Very high7 Ų764.1 Ų64.14%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-121.1108.1178.5-174.70000108.3R73 V77 L91 I93 P119 T122R73-V75 HydrophobicContact CG-CG2 3.99Å; V75-V77 HydrophobicContact CG1-CG2 3.97Å; V75-L91 PolarHBondContact N-O 3.45Å; V75-L91 PolarHBondContact O-N 3.35Å; V75-I93 HydrophobicContact CG2-CD1 4.28Å; V75-P119 HydrophobicContact CG1-CB 4.37Å; V75-T122 HydrophobicContact CB-CG2 4.14Å; V75-T122 HydrophobicContact CG1-CG2 4.15Å
76P94.3Very high92.7Very high92 Ų9265.1 Ų65.160%0.59734%0.337SS*.EExtended strand (participates in β ladder)trans-78135171.632-32.1000109.8
77V94.1Very high92.7Very high6 Ų664.7 Ų64.74%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-137.5132.3-179-179.90000109V75 I89 T122 T123 L126V75-V77 HydrophobicContact CG1-CG2 3.97Å; V77-I89 PolarHBondContact N-O 2.98Å; V77-I89 PolarHBondContact O-N 3.5Å; V77-T122 HydrophobicContact CG2-CG2 4.47Å; V77-T123 HydrophobicContact CG1-CG2 4.1Å; V77-L126 HydrophobicContact CB-CD2 3.55Å; V77-L126 HydrophobicContact CG1-CD2 3.81Å; V77-L126 HydrophobicContact CG2-CD2 3.99Å
78I93.1Very high92.9Very high112 Ų11265.9 Ų65.957%0.57434%0.342SS*.EExtended strand (participates in β ladder)trans-102.5125172-57.7170.3000107.6N88I78-N88 HydrophobicContact CG1-CB 4.39Å
79T93.1Very high93Very high13 Ų1365.2 Ų65.28%0.0834%0.337CS..EExtended strand (participates in β ladder)trans-141.6157.4-179-173.90000111.6V87 I89 K127 V130T79-V87 PolarHBondContact N-O 2.94Å; T79-V87 PolarHBondContact O-N 2.91Å; T79-I89 HydrophobicContact CG2-CD1 4.13Å; T79-K127 WeakPolarHBondContact OG1-CG 3.34Å; T79-V130 HydrophobicContact CG2-CB 3.81Å; T79-V130 HydrophobicContact CG2-CG1 3.57Å; T79-V130 HydrophobicContact CG2-CG2 4.12Å
80G92.5Very high93.1Very high30 Ų3060.2 Ų60.231%0.30932%0.321SS..EExtended strand (participates in β ladder)trans-85.2141.4167.500000110.9Q85G80-Q85 CarbonylContact C-O 3.57Å; G80-Q85 VanDerWaalsContact CA-O 3.31Å; G80-Q85 WeakPolarHBondContact CA-O 3.36Å
81S93.7Very high93.2Very high5 Ų557.7 Ų57.74%0.03530%0.303CS..  trans-79175.5163.856.80000111.2D83 L84 Q85S81-D83 VanDerWaalsContact CB-OD1 3.22Å; S81-D83 WeakPolarHBondContact CB-OD1 3.35Å; S81-D83 PolarHBondContact O-N 3.4Å; S81-D83 PolarHBondContact OG-OD1 2.88Å; S81-L84 PolarHBondContact O-N 2.92Å; S81-Q85 PolarHBondContact N-O 3.24Å; S81-Q85 WeakPolarHBondContact OG-CB 3.34Å; S81-Q85 PolarHBondContact OG-N 3.39Å; S81-Q85 VanDerWaalsContact OG-N 3.12Å; S81-Q85 PolarHBondContact OG-O 3.09Å
82K93.9Very high93.2Very high120 Ų12058.3 Ų58.352%0.52231%0.306SS..THydrogen-bonded Turntrans-59.9-32.5177.5179.6175.7159-148.10113.6L84 A131 R132 F133 D134K82-L84 PolarHBondContact O-N 2.98Å; K82-A131 WeakPolarHBondContact CB-O 3.49Å; K82-R132 WeakPolarHBondContact CD-O 3.47Å; K82-F133 VanDerWaalsContact CB-O 3.25Å; K82-F133 WeakPolarHBondContact CB-O 3.29Å; K82-F133 PolarHBondContact N-O 3.03Å; K82-D134 WeakPolarHBondContact CB-OD1 3.33Å; K82-D134 WeakPolarHBondContact CD-OD1 3.38Å; K82-D134 WeakPolarHBondContact CG-OD1 3.47Å; K82-D134 IonicContact NZ-OD1 3.77Å; K82-D134 IonicContact NZ-OD2 3.81Å
83D92.4Very high93.3Very high61 Ų6154.7 Ų54.733%0.32628%0.282SS..THydrogen-bonded Turntrans-85.517.8174.262.3-34000113.5S81 Q85 A135S81-D83 VanDerWaalsContact CB-OD1 3.22Å; S81-D83 WeakPolarHBondContact CB-OD1 3.35Å; S81-D83 PolarHBondContact O-N 3.4Å; S81-D83 PolarHBondContact OG-OD1 2.88Å; D83-Q85 PolarHBondContact O-N 3.46Å; D83-Q85 WeakPolarHBondContact OD2-CG 3.42Å; D83-A135 PolarHBondContact OD1-N 3.27Å
84L89.6Confident93.4Very high153 Ų15351.7 Ų51.780%0.80127%0.274SS*.  trans61.526.4177-55.6172.8000114S81 K82S81-L84 PolarHBondContact O-N 2.92Å; K82-L84 PolarHBondContact O-N 2.98Å
85Q91.6Very high93.4Very high70 Ų7047.9 Ų47.933%0.32725%0.253SS..  trans-89135.7174.5-62.7-64.8-1.200111.3G80 S81 D83 V87 A135 F178G80-Q85 CarbonylContact C-O 3.57Å; G80-Q85 VanDerWaalsContact CA-O 3.31Å; G80-Q85 WeakPolarHBondContact CA-O 3.36Å; S81-Q85 PolarHBondContact N-O 3.24Å; S81-Q85 WeakPolarHBondContact OG-CB 3.34Å; S81-Q85 PolarHBondContact OG-N 3.39Å; S81-Q85 VanDerWaalsContact OG-N 3.12Å; S81-Q85 PolarHBondContact OG-O 3.09Å; D83-Q85 PolarHBondContact O-N 3.46Å; D83-Q85 WeakPolarHBondContact OD2-CG 3.42Å; Q85-V87 PolarHBondContact O-N 2.94Å; Q85-A135 HydrophobicContact CB-CB 4.25Å; Q85-A135 HydrophobicContact CG-CB 4.34Å; Q85-F178 HydrophobicContact CG-CD2 3.87Å; Q85-F178 HydrophobicContact CG-CE2 4.1Å
86N92Very high93.4Very high108 Ų10851.4 Ų51.458%0.57827%0.266SS*.EExtended strand (participates in β ladder)trans-73.4122174.3-77.424.4000109.9G175N86-G175 PolarHBondContact O-N 3.27Å
87V92.5Very high93.4Very high0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-119.4128.5176.7-161.50000108.7T79 Q85 I89 L138 L172 F174T79-V87 PolarHBondContact N-O 2.94Å; T79-V87 PolarHBondContact O-N 2.91Å; Q85-V87 PolarHBondContact O-N 2.94Å; V87-I89 HydrophobicContact CB-CD1 4.33Å; V87-I89 HydrophobicContact CB-CG1 4.29Å; V87-I89 HydrophobicContact CG1-CD1 3.92Å; V87-I89 HydrophobicContact CG1-CG1 3.62Å; V87-L138 HydrophobicContact CG1-CD1 4.45Å; V87-L138 HydrophobicContact CG2-CD1 4Å; V87-L172 HydrophobicContact CG1-CD1 4.35Å; V87-L172 HydrophobicContact CG1-CD2 4Å; V87-L172 HydrophobicContact CG1-CG 3.86Å; V87-F174 HydrophobicContact CB-CD1 4.41Å; V87-F174 HydrophobicContact CB-CE1 4.42Å; V87-F174 HydrophobicContact CG1-CD1 4.06Å; V87-F174 HydrophobicContact CG1-CE1 3.87Å; V87-F174 HydrophobicContact CG1-CZ 4.44Å; V87-F174 HydrophobicContact CG2-CD1 3.76Å; V87-F174 HydrophobicContact CG2-CE1 3.67Å
88N94.3Very high93.3Very high65 Ų6548 Ų4835%0.34824%0.243SC..EExtended strand (participates in β ladder)trans-99.5119.3170.1-177.518.6000108.5I78 L172 T173I78-N88 HydrophobicContact CG1-CB 4.39Å; N88-L172 WeakPolarHBondContact O-CA 3.4Å; N88-T173 WeakPolarHBondContact CB-OG1 3.33Å; N88-T173 PolarHBondContact N-O 2.97Å; N88-T173 PolarHBondContact O-N 3.12Å
89I94.1Very high93.2Very high2 Ų244.6 Ų44.61%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-126.4131-173.8-57.7170.8000108.9V77 T79 V87 L126 V130 L169 H171 L172V77-I89 PolarHBondContact N-O 2.98Å; V77-I89 PolarHBondContact O-N 3.5Å; T79-I89 HydrophobicContact CG2-CD1 4.13Å; V87-I89 HydrophobicContact CB-CD1 4.33Å; V87-I89 HydrophobicContact CB-CG1 4.29Å; V87-I89 HydrophobicContact CG1-CD1 3.92Å; V87-I89 HydrophobicContact CG1-CG1 3.62Å; I89-L126 HydrophobicContact CB-CD2 3.92Å; I89-L126 HydrophobicContact CD1-CD2 4.34Å; I89-L126 HydrophobicContact CG2-CD1 4.43Å; I89-L126 HydrophobicContact CG2-CD2 3.96Å; I89-V130 HydrophobicContact CD1-CG1 4.33Å; I89-V130 HydrophobicContact CD1-CG2 3.71Å; I89-L169 HydrophobicContact CG2-CD2 3.57Å; I89-H171 CarbonylContact C-O 3.56Å; I89-H171 VanDerWaalsContact CA-O 3.3Å; I89-H171 WeakPolarHBondContact CA-O 3.21Å; I89-L172 HydrophobicContact CD1-CD1 4.21Å; I89-L172 HydrophobicContact CG1-CD1 4.09Å; I89-L172 HydrophobicContact CG1-CG 4.1Å
90T94.5Very high93Very high26 Ų2648.2 Ų48.216%0.1625%0.254CS..EExtended strand (participates in β ladder)trans-106.3117.9171.6-56.20000109.6N74 T170 H171N74-T90 HydrophobicContact CB-CG2 4.23Å; T90-T170 WeakPolarHBondContact CB-OG1 3.25Å; T90-T170 PolarHBondContact O-N 3.22Å; T90-T170 PolarHBondContact O-OG1 2.83Å; T90-H171 PolarHBondContact N-O 3.49Å
91L94.1Very high92.8Very high0 Ų049.9 Ų49.90%025%0.253CS..EExtended strand (participates in β ladder)trans-94.5129.4173.8-161.272.6000109.6N74 V75 I93 T122 V149 L153 V167 L169N74-L91 CarbonylContact C-O 3.58Å; N74-L91 WeakPolarHBondContact CA-O 3.35Å; V75-L91 PolarHBondContact N-O 3.45Å; V75-L91 PolarHBondContact O-N 3.35Å; L91-I93 HydrophobicContact CD2-CD1 3.94Å; L91-I93 HydrophobicContact CD2-CG1 3.79Å; L91-I93 HydrophobicContact CG-CG1 3.98Å; L91-T122 HydrophobicContact CB-CG2 4.17Å; L91-T122 HydrophobicContact CD2-CG2 3.49Å; L91-T122 VanDerWaalsContact CD2-CG2 3.49Å; L91-T122 HydrophobicContact CG-CG2 4.48Å; L91-V149 HydrophobicContact CD1-CG1 4.28Å; L91-V149 HydrophobicContact CD2-CG1 4.23Å; L91-L153 HydrophobicContact CD2-CD2 3.79Å; L91-V167 HydrophobicContact CD1-CG1 3.81Å; L91-V167 HydrophobicContact CD2-CG1 3.76Å; L91-V167 HydrophobicContact CG-CG1 3.97Å; L91-L169 HydrophobicContact CD1-CD2 3.49Å; L91-L169 VanDerWaalsContact CD1-CD2 3.49Å; L91-L169 HydrophobicContact CD1-CG 4.03Å
92R94.4Very high92.6Very high91 Ų9149.7 Ų49.734%0.34325%0.252SS..EExtended strand (participates in β ladder)trans-98.8125.9167.8173.7-177.5163.391.2-0.1107.9N74 S168 T170N74-R92 WeakPolarHBondContact OD1-CB 3.49Å; N74-R92 WeakPolarHBondContact OD1-CG 3.43Å; R92-S168 PolarHBondContact N-O 2.7Å; R92-S168 PolarHBondContact O-N 2.86Å; R92-T170 HydrophobicContact CB-CG2 3.61Å
93I94.6Very high92.4Very high0 Ų044.2 Ų44.20%023%0.229CC..EExtended strand (participates in β ladder)trans-123.6126.6-177.6-53167.5000107.5P72 R73 V75 L91 F95 T122 L153 L164 V167P72-I93 CarbonylContact C-O 3.31Å; P72-I93 WeakPolarHBondContact CA-O 3.32Å; R73-I93 PolarHBondContact N-O 3.31Å; R73-I93 PolarHBondContact O-N 2.96Å; V75-I93 HydrophobicContact CG2-CD1 4.28Å; L91-I93 HydrophobicContact CD2-CD1 3.94Å; L91-I93 HydrophobicContact CD2-CG1 3.79Å; L91-I93 HydrophobicContact CG-CG1 3.98Å; I93-F95 HydrophobicContact CG2-CB 4.24Å; I93-T122 HydrophobicContact CD1-CG2 4.1Å; I93-T122 WeakPolarHBondContact CD1-OG1 3.38Å; I93-L153 HydrophobicContact CD1-CD2 4.08Å; I93-L153 HydrophobicContact CG1-CD2 4.4Å; I93-L164 HydrophobicContact CG2-CD2 3.68Å; I93-V167 HydrophobicContact CG2-CG2 4.42Å
94L94.9Very high92.3Very high41 Ų4148.9 Ų48.922%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-100.8117.5167.2-170.368.8000107.7P72 L164 D165 D166P72-L94 HydrophobicContact CB-CD1 4.29Å; L94-L164 CarbonylContact O-C 3.52Å; L94-L164 WeakPolarHBondContact O-CA 3.48Å; L94-D165 HydrophobicContact CD2-CB 4.05Å; L94-D165 HydrophobicContact CG-CB 4.26Å; L94-D165 PolarHBondContact O-N 3.39Å; L94-D166 HydrophobicContact CB-CB 4Å; L94-D166 PolarHBondContact N-O 2.92Å; L94-D166 PolarHBondContact O-N 3.11Å
95F94.7Very high92.4Very high4 Ų441.8 Ų41.82%0.01820%0.204CC..EExtended strand (participates in β ladder)trans-136.1157.5-173.173.5-77.6000112.2S70 R71 R73 I93 Y113 D114 L118 I163 L164S70-F95 WeakPolarHBondContact CA-O 3.39Å; R71-F95 HydrophobicContact CB-CE1 4.42Å; R71-F95 PolarHBondContact N-O 2.96Å; R71-F95 WeakPolarHBondContact O-CD1 3.3Å; R71-F95 WeakPolarHBondContact O-CE1 3.37Å; R71-F95 PolarHBondContact O-N 3.49Å; R73-F95 HydrophobicContact CB-CD1 4.22Å; R73-F95 HydrophobicContact CB-CE1 3.76Å; I93-F95 HydrophobicContact CG2-CB 4.24Å; F95-Y113 AromaticContact CE2-CE2 4Å; F95-Y113 HydrophobicContact CE2-CE2 4Å; F95-D114 HydrophobicContact CE2-CB 3.71Å; F95-D114 HydrophobicContact CZ-CB 3.55Å; F95-L118 HydrophobicContact CD1-CD1 3.53Å; F95-L118 HydrophobicContact CD2-CD1 3.77Å; F95-L118 HydrophobicContact CE1-CD1 3.43Å; F95-L118 VanDerWaalsContact CE1-CD1 3.43Å; F95-L118 HydrophobicContact CE2-CD1 3.66Å; F95-L118 HydrophobicContact CG-CD1 3.71Å; F95-L118 HydrophobicContact CG-CD2 4.42Å; F95-L118 HydrophobicContact CZ-CD1 3.49Å; F95-L118 VanDerWaalsContact CZ-CD1 3.49Å; F95-I163 CarbonylContact C-O 3.57Å; F95-I163 VanDerWaalsContact CA-O 3.25Å; F95-I163 WeakPolarHBondContact CA-O 3.5Å; F95-L164 HydrophobicContact CB-CD2 3.7Å
96R93.9Very high92.3Very high80 Ų8040.4 Ų40.430%0.30220%0.197SC..EExtended strand (participates in β ladder)trans-148.7149.3172.160.7-174.4175.595.62110.8I163 D165R96-I163 HydrophobicContact CG-CB 4.04Å; R96-I163 PolarHBondContact N-O 3.23Å; R96-I163 PolarHBondContact O-N 3.01Å; R96-D165 WeakPolarHBondContact CD-OD2 3.48Å; R96-D165 IonicContact CZ-OD1 3.69Å; R96-D165 IonicContact NE-OD1 3.63Å; R96-D165 PolarHBondContact NE-OD1 3.36Å; R96-D165 IonicContact NE-OD2 3.74Å; R96-D165 PolarHBondContact NE-OD2 3.38Å; R96-D165 IonicContact NH2-OD1 2.66Å
97P93.7Very high92.1Very high1 Ų139.6 Ų39.61%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-74148.8177.231.2-34.9000112T99 L102 I105 Y113 L162P97-T99 PolarHBondContact O-N 3.25Å; P97-L102 HydrophobicContact CB-CD2 3.74Å; P97-L102 HydrophobicContact CG-CD2 3.93Å; P97-I105 HydrophobicContact CB-CD1 4.07Å; P97-Y113 HydrophobicContact CB-CE2 4.38Å; P97-L162 HydrophobicContact CB-CD2 4.31Å
98V92.5Very high91.8Very high26 Ų2643.5 Ų43.516%0.15822%0.224CC..  trans-70.1117.9171178.80000108.7S100 Q101 L102 G161 I163V98-S100 VanDerWaalsContact CG1-OG 3.29Å; V98-S100 WeakPolarHBondContact CG1-OG 3.46Å; V98-S100 PolarHBondContact O-N 3.48Å; V98-Q101 HydrophobicContact CB-CB 4.3Å; V98-Q101 HydrophobicContact CB-CG 4.46Å; V98-Q101 HydrophobicContact CG1-CB 4.35Å; V98-Q101 HydrophobicContact CG1-CG 4.08Å; V98-Q101 PolarHBondContact O-N 3.21Å; V98-L102 PolarHBondContact O-N 3.26Å; V98-G161 WeakPolarHBondContact CB-O 3.34Å; V98-G161 VanDerWaalsContact CG2-O 3.27Å; V98-G161 WeakPolarHBondContact CG2-O 3.36Å; V98-G161 PolarHBondContact N-O 2.95Å; V98-I163 HydrophobicContact CG2-CD1 3.82Å; V98-I163 HydrophobicContact CG2-CG1 3.49Å; V98-I163 VanDerWaalsContact CG2-CG1 3.49Å
99T89.7Confident91.5Very high41 Ų4141.6 Ų41.625%0.25221%0.213SC..THydrogen-bonded Turntrans-62.8-27.2-173.857.50000114.5R34 V48 C68 P97R34-T99 VanDerWaalsContact NE-CG2 3.26Å; V48-T99 WeakPolarHBondContact CG2-O 3.05Å; C68-T99 HydrophobicContact CB-CG2 4.15Å; P97-T99 PolarHBondContact O-N 3.25Å
100S88.9Confident91.1Very high88 Ų8842.2 Ų42.262%0.61522%0.221SC*.THydrogen-bonded Turntrans-80.8-16.7176.955.70000113.9V98V98-S100 VanDerWaalsContact CG1-OG 3.29Å; V98-S100 WeakPolarHBondContact CG1-OG 3.46Å; V98-S100 PolarHBondContact O-N 3.48Å
101Q88.7Confident90.6Very high66 Ų6646.3 Ų46.331%0.30824%0.238SC..THydrogen-bonded Turntrans-110.16.9-175.9-61.3-173.56.300113.2V98 P103 R104 I105 G161V98-Q101 HydrophobicContact CB-CB 4.3Å; V98-Q101 HydrophobicContact CB-CG 4.46Å; V98-Q101 HydrophobicContact CG1-CB 4.35Å; V98-Q101 HydrophobicContact CG1-CG 4.08Å; V98-Q101 PolarHBondContact O-N 3.21Å; Q101-P103 VanDerWaalsContact C-N 3.32Å; Q101-R104 WeakPolarHBondContact O-CA 3.3Å; Q101-R104 WeakPolarHBondContact O-CB 3.44Å; Q101-R104 PolarHBondContact O-N 2.89Å; Q101-I105 WeakPolarHBondContact O-CG1 3.49Å; Q101-I105 PolarHBondContact O-N 3.5Å; Q101-G161 VanDerWaalsContact OE1-CA 3.3Å
102L89.5Confident90.3Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-50.9-41.2177.9-69.1172.8000114.3R34 V36 V48 F66 P97 V98 R104 I105 F106R34-L102 HydrophobicContact CB-CD1 3.63Å; R34-L102 HydrophobicContact CG-CD1 4.45Å; V36-L102 HydrophobicContact CG2-CB 3.62Å; V48-L102 HydrophobicContact CG1-CD1 3.85Å; V48-L102 HydrophobicContact CG2-CB 4.2Å; F66-L102 HydrophobicContact CB-CD1 4.41Å; F66-L102 HydrophobicContact CB-CD2 4.06Å; F66-L102 HydrophobicContact CD1-CD2 4.5Å; F66-L102 HydrophobicContact CG-CD2 4.11Å; P97-L102 HydrophobicContact CB-CD2 3.74Å; P97-L102 HydrophobicContact CG-CD2 3.93Å; V98-L102 PolarHBondContact O-N 3.26Å; L102-R104 VanDerWaalsContact C-N 3.29Å; L102-R104 PolarHBondContact O-N 3.33Å; L102-I105 HydrophobicContact CD2-CD1 4.48Å; L102-I105 PolarHBondContact O-N 3.04Å; L102-F106 WeakPolarHBondContact O-CB 3.34Å; L102-F106 PolarHBondContact O-N 2.84Å
103P90.3Very high89.9Confident6 Ų646 Ų464%0.03924%0.243CC..Hα-helixtrans-62.3-38177-23.435.6000112.3V36 V44 Q45 V48 Q101 T107V36-P103 HydrophobicContact CG1-CB 4.25Å; V36-P103 HydrophobicContact CG1-CG 4.26Å; V36-P103 HydrophobicContact CG2-CG 4.31Å; V44-P103 HydrophobicContact CG1-CB 3.96Å; Q45-P103 WeakPolarHBondContact O-CG 3.36Å; V48-P103 HydrophobicContact CG2-CG 3.72Å; Q101-P103 VanDerWaalsContact C-N 3.32Å; P103-T107 WeakPolarHBondContact O-CB 3.4Å; P103-T107 WeakPolarHBondContact O-CG2 3.36Å; P103-T107 PolarHBondContact O-N 2.88Å; P103-T107 PolarHBondContact O-OG1 3.43Å
104R90.7Very high89.5Confident159 Ų15947.5 Ų47.560%0.625%0.251SS*.Hα-helixtrans-69.5-41.8176.8-171179.7-179.5-169.5-0.7111.5Q101 L102 T107 S108Q101-R104 WeakPolarHBondContact O-CA 3.3Å; Q101-R104 WeakPolarHBondContact O-CB 3.44Å; Q101-R104 PolarHBondContact O-N 2.89Å; L102-R104 VanDerWaalsContact C-N 3.29Å; L102-R104 PolarHBondContact O-N 3.33Å; R104-T107 WeakPolarHBondContact CA-OG1 3.25Å; R104-T107 PolarHBondContact O-N 3.34Å; R104-T107 PolarHBondContact O-OG1 3.06Å; R104-T107 VanDerWaalsContact O-OG1 3.08Å; R104-S108 VanDerWaalsContact O-CB 3.3Å; R104-S108 WeakPolarHBondContact O-CB 3.35Å; R104-S108 PolarHBondContact O-N 2.74Å; R104-S108 PolarHBondContact O-OG 3.19Å
105I90.1Very high89.1Confident3 Ų351.8 Ų51.82%0.01527%0.27CS..Hα-helixtrans-61.2-47.6176.8-64.8168.2000109.8P97 Q101 L102 T107 S108 I109 G110 Y113 G161P97-I105 HydrophobicContact CB-CD1 4.07Å; Q101-I105 WeakPolarHBondContact O-CG1 3.49Å; Q101-I105 PolarHBondContact O-N 3.5Å; L102-I105 HydrophobicContact CD2-CD1 4.48Å; L102-I105 PolarHBondContact O-N 3.04Å; I105-T107 PolarHBondContact O-N 3.42Å; I105-S108 PolarHBondContact O-N 3.31Å; I105-I109 HydrophobicContact CG2-CD1 4.23Å; I105-I109 WeakPolarHBondContact O-CB 3.48Å; I105-I109 PolarHBondContact O-N 3.42Å; I105-G110 PolarHBondContact O-N 2.91Å; I105-Y113 HydrophobicContact CG2-CD1 4.03Å; I105-Y113 HydrophobicContact CG2-CD2 4.43Å; I105-Y113 HydrophobicContact CG2-CG 3.8Å; I105-G161 WeakPolarHBondContact CD1-O 3.49Å
106F89.6Confident88.7Confident41 Ų4158.9 Ų58.918%0.1830%0.297CS..Hα-helixtrans-62.6-42.2179.1178.2-114.1000112.8V44 I64 F66 L102 G110 E111V44-F106 HydrophobicContact CG1-CD1 4.21Å; V44-F106 HydrophobicContact CG2-CD1 3.69Å; V44-F106 HydrophobicContact CG2-CE1 3.67Å; I64-F106 HydrophobicContact CD1-CD1 4.06Å; I64-F106 HydrophobicContact CD1-CD2 4.38Å; I64-F106 HydrophobicContact CD1-CE1 3.38Å; I64-F106 HydrophobicContact CD1-CE2 3.72Å; I64-F106 HydrophobicContact CD1-CZ 3.2Å; I64-F106 HydrophobicContact CG1-CZ 4.45Å; I64-F106 HydrophobicContact CG2-CD2 4.48Å; I64-F106 HydrophobicContact CG2-CE2 4.35Å; F66-F106 HydrophobicContact CE2-CB 4.18Å; F66-F106 HydrophobicContact CE2-CD2 4.39Å; F66-F106 HydrophobicContact CE2-CG 4.42Å; F66-F106 HydrophobicContact CZ-CB 3.79Å; F66-F106 AromaticContact CZ-CD2 3.73Å; F66-F106 HydrophobicContact CZ-CD2 3.73Å; F66-F106 HydrophobicContact CZ-CG 4.05Å; L102-F106 WeakPolarHBondContact O-CB 3.34Å; L102-F106 PolarHBondContact O-N 2.84Å; F106-G110 WeakPolarHBondContact O-CA 3.36Å; F106-G110 PolarHBondContact O-N 3.48Å; F106-E111 HydrophobicContact CD2-CG 3.93Å; F106-E111 HydrophobicContact CE2-CG 3.69Å
107T88Confident88.5Confident91 Ų9155.7 Ų55.756%0.55829%0.286SS*.Hα-helixtrans-73.9-35.4-179.547.50000113.7V44 P103 R104 I105V44-T107 HydrophobicContact CB-CG2 3.81Å; V44-T107 HydrophobicContact CG1-CG2 4.1Å; V44-T107 HydrophobicContact CG2-CG2 3.66Å; P103-T107 WeakPolarHBondContact O-CB 3.4Å; P103-T107 WeakPolarHBondContact O-CG2 3.36Å; P103-T107 PolarHBondContact O-N 2.88Å; P103-T107 PolarHBondContact O-OG1 3.43Å; R104-T107 WeakPolarHBondContact CA-OG1 3.25Å; R104-T107 PolarHBondContact O-N 3.34Å; R104-T107 PolarHBondContact O-OG1 3.06Å; R104-T107 VanDerWaalsContact O-OG1 3.08Å; I105-T107 PolarHBondContact O-N 3.42Å
108S87.6Confident88.4Confident82 Ų8255.7 Ų55.757%0.57329%0.286SS*.Hα-helixtrans-88.1-37.4-175.859.20000114R104 I105R104-S108 VanDerWaalsContact O-CB 3.3Å; R104-S108 WeakPolarHBondContact O-CB 3.35Å; R104-S108 PolarHBondContact O-N 2.74Å; R104-S108 PolarHBondContact O-OG 3.19Å; I105-S108 PolarHBondContact O-N 3.31Å
109I86.6Confident88.4Confident25 Ų2556 Ų5613%0.12829%0.289CS..THydrogen-bonded Turntrans-115.3-41-172-57153.7000111.4I105 R116 V117 F160I105-I109 HydrophobicContact CG2-CD1 4.23Å; I105-I109 WeakPolarHBondContact O-CB 3.48Å; I105-I109 PolarHBondContact O-N 3.42Å; I109-R116 HydrophobicContact CG2-CB 4.28Å; I109-R116 PolarHBondContact O-NH1 3.15Å; I109-V117 HydrophobicContact CD1-CG2 3.72Å; I109-V117 HydrophobicContact CG1-CG2 4.02Å; I109-V117 HydrophobicContact CG2-CG2 3.8Å; I109-F160 HydrophobicContact CD1-CB 4.48Å; I109-F160 HydrophobicContact CD1-CD1 4.34Å
110G85.9Confident88.5Confident16 Ų1657.7 Ų57.717%0.16530%0.302CS..  trans106.9-169.5-175.200000113.4I105 F106I105-G110 PolarHBondContact O-N 2.91Å; F106-G110 WeakPolarHBondContact O-CA 3.36Å; F106-G110 PolarHBondContact O-N 3.48Å
111E84.6Confident88.8Confident111 Ų11153.8 Ų53.852%0.51927%0.274SS..SBendtrans-69.3-34178.2-61.4-179.3179.200111.7I64 F66 F106 Y113I64-E111 HydrophobicContact CG2-CG 4.29Å; I64-E111 WeakPolarHBondContact CG2-OE1 3.27Å; F66-E111 HydrophobicContact CZ-CG 4.46Å; F106-E111 HydrophobicContact CD2-CG 3.93Å; F106-E111 HydrophobicContact CE2-CG 3.69Å; E111-Y113 VanDerWaalsContact O-CD1 3.3Å; E111-Y113 WeakPolarHBondContact O-CD1 3.38Å; E111-Y113 PolarHBondContact O-N 2.88Å
112D87.5Confident89Confident82 Ų8250.7 Ų50.744%0.43926%0.259SS..  trans-8340.8-179.5-49-44.7000113.1D114 E115 R116D112-D114 VanDerWaalsContact C-N 3.27Å; D112-D114 PolarHBondContact O-N 2.93Å; D112-E115 PolarHBondContact O-N 3.31Å; D112-R116 WeakPolarHBondContact O-CG 3.47Å; D112-R116 PolarHBondContact O-N 3.49Å
113Y85.8Confident89.3Confident4 Ų452.6 Ų52.62%0.01627%0.271CS..Hα-helixtrans-66.4-30.8-174.268.7-91.7000113.1F66 R71 F95 P97 I105 E111 V117 L162F66-Y113 HydrophobicContact CD1-CE1 4.02Å; F66-Y113 HydrophobicContact CE1-CD1 4.31Å; F66-Y113 HydrophobicContact CE1-CE1 4.27Å; R71-Y113 PolarHBondContact NH2-OH 3.42Å; F95-Y113 AromaticContact CE2-CE2 4Å; F95-Y113 HydrophobicContact CE2-CE2 4Å; P97-Y113 HydrophobicContact CB-CE2 4.38Å; I105-Y113 HydrophobicContact CG2-CD1 4.03Å; I105-Y113 HydrophobicContact CG2-CD2 4.43Å; I105-Y113 HydrophobicContact CG2-CG 3.8Å; E111-Y113 VanDerWaalsContact O-CD1 3.3Å; E111-Y113 WeakPolarHBondContact O-CD1 3.38Å; E111-Y113 PolarHBondContact O-N 2.88Å; Y113-V117 WeakPolarHBondContact O-CB 3.22Å; Y113-V117 PolarHBondContact O-N 3.37Å; Y113-V117 VanDerWaalsContact O-N 3.09Å; Y113-L162 HydrophobicContact CD2-CD1 4.42Å; Y113-L162 HydrophobicContact CD2-CD2 3.54Å; Y113-L162 HydrophobicContact CE2-CD2 3.54Å
114D85.8Confident89.5Confident31 Ų3156.8 Ų56.817%0.16629%0.29CS..Hα-helixtrans-71.6-39.417955.5-9.6000112.3R71 F95 D112 L118R71-D114 IonicContact CZ-OD2 3.48Å; R71-D114 IonicContact NH1-OD2 2.71Å; R71-D114 PolarHBondContact NH1-OD2 2.92Å; R71-D114 IonicContact NH2-OD2 2.97Å; R71-D114 PolarHBondContact NH2-OD2 3.33Å; F95-D114 HydrophobicContact CE2-CB 3.71Å; F95-D114 HydrophobicContact CZ-CB 3.55Å; D112-D114 VanDerWaalsContact C-N 3.27Å; D112-D114 PolarHBondContact O-N 2.93Å; D114-L118 HydrophobicContact CB-CD1 4.13Å; D114-L118 WeakPolarHBondContact O-CB 3.33Å
115E87.3Confident89.7Confident131 Ų13149.4 Ų49.461%0.61226%0.263SS*.Hα-helixtrans-73.8-33.2177.6-64.4-160.1155.500113.4D112 P119D112-E115 PolarHBondContact O-N 3.31Å; E115-P119 VanDerWaalsContact O-CD 3.25Å; E115-P119 WeakPolarHBondContact O-CD 3.37Å; E115-P119 WeakPolarHBondContact O-CG 3.46Å
116R86.6Confident89.9Confident153 Ų15349.3 Ų49.358%0.57726%0.262SS*.Hα-helixtrans-84-47.7-176.5-69.9-179.4178.5168.52.5113.2I109 D112I109-R116 HydrophobicContact CG2-CB 4.28Å; I109-R116 PolarHBondContact O-NH1 3.15Å; D112-R116 WeakPolarHBondContact O-CG 3.47Å; D112-R116 PolarHBondContact O-N 3.49Å
117V89.9Confident90.1Very high12 Ų1252 Ų527%0.07327%0.274CS..Hα-helixtrans-85-50.5-169.4178.90000111.3I109 Y113 S120 I121 F160 L162I109-V117 HydrophobicContact CD1-CG2 3.72Å; I109-V117 HydrophobicContact CG1-CG2 4.02Å; I109-V117 HydrophobicContact CG2-CG2 3.8Å; Y113-V117 WeakPolarHBondContact O-CB 3.22Å; Y113-V117 PolarHBondContact O-N 3.37Å; Y113-V117 VanDerWaalsContact O-N 3.09Å; V117-S120 WeakPolarHBondContact O-CB 3.33Å; V117-S120 PolarHBondContact O-N 3.31Å; V117-S120 VanDerWaalsContact O-N 3.12Å; V117-I121 HydrophobicContact CG1-CD1 4.16Å; V117-I121 HydrophobicContact CG1-CG1 4.46Å; V117-I121 HydrophobicContact CG1-CG2 3.99Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 2.85Å; V117-F160 HydrophobicContact CG1-CB 4.04Å; V117-F160 HydrophobicContact CG1-CD1 4.21Å; V117-F160 HydrophobicContact CG1-CD2 3.79Å; V117-F160 HydrophobicContact CG1-CE2 4.29Å; V117-F160 HydrophobicContact CG1-CG 3.74Å; V117-F160 HydrophobicContact CG2-CD1 4.46Å; V117-L162 HydrophobicContact CB-CD1 4.43Å; V117-L162 HydrophobicContact CG1-CD1 4.17Å
118L90.3Very high90.4Very high1 Ų150 Ų501%0.00526%0.264CS..Hα-helixtrans-59-48.1-170.1-66.1172.1000113.2R73 F95 D114 S120 I121 T122 L162 L164R73-L118 HydrophobicContact CG-CD1 4.46Å; F95-L118 HydrophobicContact CD1-CD1 3.53Å; F95-L118 HydrophobicContact CD2-CD1 3.77Å; F95-L118 HydrophobicContact CE1-CD1 3.43Å; F95-L118 VanDerWaalsContact CE1-CD1 3.43Å; F95-L118 HydrophobicContact CE2-CD1 3.66Å; F95-L118 HydrophobicContact CG-CD1 3.71Å; F95-L118 HydrophobicContact CG-CD2 4.42Å; F95-L118 HydrophobicContact CZ-CD1 3.49Å; F95-L118 VanDerWaalsContact CZ-CD1 3.49Å; D114-L118 HydrophobicContact CB-CD1 4.13Å; D114-L118 WeakPolarHBondContact O-CB 3.33Å; L118-S120 VanDerWaalsContact C-N 3.27Å; L118-S120 PolarHBondContact O-N 2.96Å; L118-I121 HydrophobicContact CD2-CD1 4.43Å; L118-T122 WeakPolarHBondContact O-CB 3.45Å; L118-T122 PolarHBondContact O-N 3.27Å; L118-T122 PolarHBondContact O-OG1 2.83Å; L118-L162 HydrophobicContact CD2-CD1 3.94Å; L118-L162 HydrophobicContact CG-CD1 4.34Å; L118-L164 HydrophobicContact CD2-CD2 4.47Å
119P92.3Very high90.7Very high34 Ų3446.1 Ų46.122%0.22124%0.236CC..Hα-helixtrans-64.5-33.8179.7-22.336000112.5V75 E115 T123V75-P119 HydrophobicContact CG1-CB 4.37Å; E115-P119 VanDerWaalsContact O-CD 3.25Å; E115-P119 WeakPolarHBondContact O-CD 3.37Å; E115-P119 WeakPolarHBondContact O-CG 3.46Å; P119-T123 VanDerWaalsContact O-CB 3.23Å; P119-T123 WeakPolarHBondContact O-CB 3.38Å; P119-T123 PolarHBondContact O-N 3.15Å; P119-T123 PolarHBondContact O-OG1 3.38Å
120S92.9Very high91.1Very high75 Ų7545 Ų4552%0.52423%0.231SC..Hα-helixtrans-68-56.5-179.5-177.70000111.3V117 L118 T122 T123 E124V117-S120 WeakPolarHBondContact O-CB 3.33Å; V117-S120 PolarHBondContact O-N 3.31Å; V117-S120 VanDerWaalsContact O-N 3.12Å; L118-S120 VanDerWaalsContact C-N 3.27Å; L118-S120 PolarHBondContact O-N 2.96Å; S120-T122 VanDerWaalsContact C-N 3.31Å; S120-T122 PolarHBondContact O-N 3.21Å; S120-T123 PolarHBondContact O-N 3.1Å; S120-E124 PolarHBondContact O-N 2.91Å; S120-E124 VanDerWaalsContact O-N 3.08Å
121I94.3Very high91.5Very high6 Ų646.7 Ų46.73%0.03124%0.243CC..Hα-helixtrans-65.2-37.3-178.965.6172.9000111.6V117 L118 E124 V125 L153 A157 F160V117-I121 HydrophobicContact CG1-CD1 4.16Å; V117-I121 HydrophobicContact CG1-CG1 4.46Å; V117-I121 HydrophobicContact CG1-CG2 3.99Å; V117-I121 WeakPolarHBondContact O-CG1 3.46Å; V117-I121 PolarHBondContact O-N 2.85Å; L118-I121 HydrophobicContact CD2-CD1 4.43Å; I121-E124 PolarHBondContact O-N 3.21Å; I121-V125 WeakPolarHBondContact O-CB 3.21Å; I121-V125 WeakPolarHBondContact O-CG2 3.39Å; I121-V125 PolarHBondContact O-N 2.91Å; I121-L153 HydrophobicContact CB-CD1 4.32Å; I121-L153 HydrophobicContact CD1-CD1 4.02Å; I121-L153 HydrophobicContact CG1-CD1 3.85Å; I121-A157 HydrophobicContact CD1-CB 4.05Å; I121-F160 HydrophobicContact CG2-CD2 4.16Å; I121-F160 HydrophobicContact CG2-CE2 3.68Å; I121-F160 HydrophobicContact CG2-CZ 4.46Å
122T94.4Very high91.9Very high1 Ų148 Ų481%0.00624%0.244CC..Hα-helixtrans-65.7-45.3179.8-59.40000110.7V75 V77 L91 I93 L118 S120 E124 L126V75-T122 HydrophobicContact CB-CG2 4.14Å; V75-T122 HydrophobicContact CG1-CG2 4.15Å; V77-T122 HydrophobicContact CG2-CG2 4.47Å; L91-T122 HydrophobicContact CB-CG2 4.17Å; L91-T122 HydrophobicContact CD2-CG2 3.49Å; L91-T122 VanDerWaalsContact CD2-CG2 3.49Å; L91-T122 HydrophobicContact CG-CG2 4.48Å; I93-T122 HydrophobicContact CD1-CG2 4.1Å; I93-T122 WeakPolarHBondContact CD1-OG1 3.38Å; L118-T122 WeakPolarHBondContact O-CB 3.45Å; L118-T122 PolarHBondContact O-N 3.27Å; L118-T122 PolarHBondContact O-OG1 2.83Å; S120-T122 VanDerWaalsContact C-N 3.31Å; S120-T122 PolarHBondContact O-N 3.21Å; T122-E124 VanDerWaalsContact C-N 3.32Å; T122-E124 PolarHBondContact O-N 3.44Å; T122-L126 WeakPolarHBondContact O-CB 3.37Å; T122-L126 PolarHBondContact O-N 3.17Å
123T94.3Very high92.2Very high41 Ų4145.1 Ų45.125%0.25223%0.227SC..Hα-helixtrans-63.8-40.6178.8-60.80000111.2V77 P119 S120 K127V77-T123 HydrophobicContact CG1-CG2 4.1Å; P119-T123 VanDerWaalsContact O-CB 3.23Å; P119-T123 WeakPolarHBondContact O-CB 3.38Å; P119-T123 PolarHBondContact O-N 3.15Å; P119-T123 PolarHBondContact O-OG1 3.38Å; S120-T123 PolarHBondContact O-N 3.1Å; T123-K127 HydrophobicContact CG2-CD 3.96Å; T123-K127 VanDerWaalsContact O-CB 3.31Å; T123-K127 WeakPolarHBondContact O-CB 3.32Å; T123-K127 WeakPolarHBondContact O-CD 3.2Å; T123-K127 WeakPolarHBondContact O-CG 3.24Å; T123-K127 PolarHBondContact O-N 3.25Å; T123-K127 VanDerWaalsContact O-N 3.12Å
124E94.7Very high92.6Very high94 Ų9447.4 Ų47.444%0.43924%0.24SC..Hα-helixtrans-63.5-55.1177.9-174.3-167.5145.700111.9S120 I121 T122 L126 K127 S128 R156S120-E124 PolarHBondContact O-N 2.91Å; S120-E124 VanDerWaalsContact O-N 3.08Å; I121-E124 PolarHBondContact O-N 3.21Å; T122-E124 VanDerWaalsContact C-N 3.32Å; T122-E124 PolarHBondContact O-N 3.44Å; E124-L126 PolarHBondContact O-N 2.93Å; E124-K127 PolarHBondContact O-N 2.99Å; E124-S128 PolarHBondContact O-N 3.37Å; E124-R156 IonicContact OE1-CZ 2.84Å; E124-R156 IonicContact OE1-NE 2.7Å; E124-R156 IonicContact OE1-NH2 3.59Å; E124-R156 PolarHBondContact OE1-NH2 2.98Å
125V95.3Very high92.9Very high4 Ų445.9 Ų45.92%0.02423%0.232CC..Hα-helixtrans-64.2-43-177.7173.20000110.9I121 K127 S128 V129 D152 L153 R156I121-V125 WeakPolarHBondContact O-CB 3.21Å; I121-V125 WeakPolarHBondContact O-CG2 3.39Å; I121-V125 PolarHBondContact O-N 2.91Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.1Å; V125-S128 PolarHBondContact O-N 3.03Å; V125-S128 PolarHBondContact O-OG 3.18Å; V125-V129 HydrophobicContact CG1-CG2 4.23Å; V125-V129 WeakPolarHBondContact O-CG2 3.31Å; V125-V129 PolarHBondContact O-N 3.41Å; V125-D152 HydrophobicContact CG1-CB 3.63Å; V125-L153 HydrophobicContact CB-CD1 4.22Å; V125-L153 HydrophobicContact CG1-CB 4.26Å; V125-L153 HydrophobicContact CG2-CD1 4.11Å; V125-R156 HydrophobicContact CG2-CG 3.88Å
126L94.4Very high93Very high0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-64.2-41.4180-164.175.1000111.3V77 I89 T122 E124 S128 V130 V149 L169V77-L126 HydrophobicContact CB-CD2 3.55Å; V77-L126 HydrophobicContact CG1-CD2 3.81Å; V77-L126 HydrophobicContact CG2-CD2 3.99Å; I89-L126 HydrophobicContact CB-CD2 3.92Å; I89-L126 HydrophobicContact CD1-CD2 4.34Å; I89-L126 HydrophobicContact CG2-CD1 4.43Å; I89-L126 HydrophobicContact CG2-CD2 3.96Å; T122-L126 WeakPolarHBondContact O-CB 3.37Å; T122-L126 PolarHBondContact O-N 3.17Å; E124-L126 PolarHBondContact O-N 2.93Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.14Å; L126-V130 HydrophobicContact CD1-CG2 4.19Å; L126-V130 HydrophobicContact CG-CG2 4.07Å; L126-V130 WeakPolarHBondContact O-CB 3.36Å; L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 3.15Å; L126-V149 HydrophobicContact CD1-CG1 4.13Å; L126-V149 HydrophobicContact CD1-CG2 3.98Å; L126-L169 HydrophobicContact CD1-CD2 4.02Å
127K93.9Very high93.2Very high98 Ų9837 Ų3743%0.42621%0.206SC..Hα-helixtrans-62.9-40.5175.2-76.2176.1177.2-1790112.1T79 T123 E124 V125 A131T79-K127 WeakPolarHBondContact OG1-CG 3.34Å; T123-K127 HydrophobicContact CG2-CD 3.96Å; T123-K127 VanDerWaalsContact O-CB 3.31Å; T123-K127 WeakPolarHBondContact O-CB 3.32Å; T123-K127 WeakPolarHBondContact O-CD 3.2Å; T123-K127 WeakPolarHBondContact O-CG 3.24Å; T123-K127 PolarHBondContact O-N 3.25Å; T123-K127 VanDerWaalsContact O-N 3.12Å; E124-K127 PolarHBondContact O-N 2.99Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.1Å; K127-A131 WeakPolarHBondContact O-CB 3.36Å; K127-A131 PolarHBondContact O-N 2.92Å
128S94.8Very high93.3Very high49 Ų4936.6 Ų36.634%0.34320%0.204SC..Hα-helixtrans-71-37.3-177.775.40000112.9E124 V125 L126 R132E124-S128 PolarHBondContact O-N 3.37Å; V125-S128 PolarHBondContact O-N 3.03Å; V125-S128 PolarHBondContact O-OG 3.18Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-S128 PolarHBondContact O-N 3.14Å; S128-R132 WeakPolarHBondContact O-CG 3.03Å; S128-R132 PolarHBondContact O-NE 3.36Å
129V94.1Very high93.3Very high0 Ų041.1 Ų41.10%023%0.227CC..Hα-helixtrans-76.2-49.1178178.70000110.5V125 A131 R132 F133 V145 Q148 V149V125-V129 HydrophobicContact CG1-CG2 4.23Å; V125-V129 WeakPolarHBondContact O-CG2 3.31Å; V125-V129 PolarHBondContact O-N 3.41Å; V129-A131 VanDerWaalsContact C-N 3.27Å; V129-A131 PolarHBondContact O-N 2.91Å; V129-R132 WeakPolarHBondContact O-CB 3.35Å; V129-R132 PolarHBondContact O-N 2.95Å; V129-F133 HydrophobicContact CG1-CD2 4.24Å; V129-F133 HydrophobicContact CG1-CE2 3.86Å; V129-F133 VanDerWaalsContact O-CD2 3.32Å; V129-F133 WeakPolarHBondContact O-CD2 3.39Å; V129-V145 HydrophobicContact CG1-CG1 4.31Å; V129-Q148 HydrophobicContact CG1-CB 4.33Å; V129-Q148 HydrophobicContact CG1-CG 4.14Å; V129-Q148 HydrophobicContact CG2-CG 4.38Å; V129-V149 HydrophobicContact CB-CG2 3.93Å; V129-V149 HydrophobicContact CG1-CG2 3.78Å; V129-V149 HydrophobicContact CG2-CG2 4.17Å
130V93.5Very high93.2Very high1 Ų144.7 Ų44.71%0.00625%0.249CC..Hα-helixtrans-64.2-31.9-176.4175.20000112.1T79 I89 L126 R132 F133 L138T79-V130 HydrophobicContact CG2-CB 3.81Å; T79-V130 HydrophobicContact CG2-CG1 3.57Å; T79-V130 HydrophobicContact CG2-CG2 4.12Å; I89-V130 HydrophobicContact CD1-CG1 4.33Å; I89-V130 HydrophobicContact CD1-CG2 3.71Å; L126-V130 HydrophobicContact CD1-CG2 4.19Å; L126-V130 HydrophobicContact CG-CG2 4.07Å; L126-V130 WeakPolarHBondContact O-CB 3.36Å; L126-V130 WeakPolarHBondContact O-CG2 3.39Å; L126-V130 PolarHBondContact O-N 3.15Å; V130-R132 PolarHBondContact O-N 3.32Å; V130-R132 VanDerWaalsContact O-N 3.1Å; V130-F133 PolarHBondContact O-N 2.99Å; V130-F133 VanDerWaalsContact O-N 3.17Å; V130-F133 VanDerWaalsContact O-O 3.12Å; V130-L138 HydrophobicContact CG1-CD1 3.8Å; V130-L138 HydrophobicContact CG1-CD2 4.3Å; V130-L138 HydrophobicContact CG2-CD2 4.45Å
131A94Very high93.2Very high52 Ų5245.3 Ų45.343%0.4324%0.243SC..THydrogen-bonded Turntrans-64.2-12.6174.800000114.2K82 K127 V129K82-A131 WeakPolarHBondContact CB-O 3.49Å; K127-A131 WeakPolarHBondContact O-CB 3.36Å; K127-A131 PolarHBondContact O-N 2.92Å; V129-A131 VanDerWaalsContact C-N 3.27Å; V129-A131 PolarHBondContact O-N 2.91Å
132R94.3Very high93Very high139 Ų13949.7 Ų49.753%0.52526%0.259SS..THydrogen-bonded Turntrans-90.3-18.1177.6-59.3173.6-174.8175.41.3113.2K82 S128 V129 V130K82-R132 WeakPolarHBondContact CD-O 3.47Å; S128-R132 WeakPolarHBondContact O-CG 3.03Å; S128-R132 PolarHBondContact O-NE 3.36Å; V129-R132 WeakPolarHBondContact O-CB 3.35Å; V129-R132 PolarHBondContact O-N 2.95Å; V130-R132 PolarHBondContact O-N 3.32Å; V130-R132 VanDerWaalsContact O-N 3.1Å
133F94.5Very high92.9Very high21 Ų2155 Ų559%0.09228%0.284CS..SBendtrans-110.8146.1-174.9-67.5-80.7000111.6K82 V129 V130 E137 L138 L144 V145 Q148K82-F133 VanDerWaalsContact CB-O 3.25Å; K82-F133 WeakPolarHBondContact CB-O 3.29Å; K82-F133 PolarHBondContact N-O 3.03Å; V129-F133 HydrophobicContact CG1-CD2 4.24Å; V129-F133 HydrophobicContact CG1-CE2 3.86Å; V129-F133 VanDerWaalsContact O-CD2 3.32Å; V129-F133 WeakPolarHBondContact O-CD2 3.39Å; V130-F133 PolarHBondContact O-N 2.99Å; V130-F133 VanDerWaalsContact O-N 3.17Å; V130-F133 VanDerWaalsContact O-O 3.12Å; F133-E137 HydrophobicContact CB-CB 4.42Å; F133-E137 HydrophobicContact CD1-CB 4.28Å; F133-L138 HydrophobicContact CB-CD2 3.8Å; F133-L138 HydrophobicContact CB-CG 4.27Å; F133-L138 HydrophobicContact CG-CD2 4.46Å; F133-L144 HydrophobicContact CE1-CD2 3.7Å; F133-L144 HydrophobicContact CZ-CD2 3.5Å; F133-V145 HydrophobicContact CD1-CG2 4.16Å; F133-V145 HydrophobicContact CD2-CG2 3.97Å; F133-V145 HydrophobicContact CE1-CG2 4.21Å; F133-V145 HydrophobicContact CE2-CG2 4.03Å; F133-V145 HydrophobicContact CG-CG2 4.04Å; F133-V145 HydrophobicContact CZ-CG2 4.15Å; F133-Q148 VanDerWaalsContact CE2-OE1 3.3Å; F133-Q148 VanDerWaalsContact CZ-OE1 3.27Å
134D94Very high92.9Very high52 Ų5257.1 Ų57.128%0.27829%0.293SS..  trans-78.8154.3173.3-62.9-34.4000110.4K82 G136 E137 L138K82-D134 WeakPolarHBondContact CB-OD1 3.33Å; K82-D134 WeakPolarHBondContact CD-OD1 3.38Å; K82-D134 WeakPolarHBondContact CG-OD1 3.47Å; K82-D134 IonicContact NZ-OD1 3.77Å; K82-D134 IonicContact NZ-OD2 3.81Å; D134-G136 PolarHBondContact O-N 3.29Å; D134-G136 VanDerWaalsContact O-N 3.14Å; D134-E137 HydrophobicContact CB-CG 4.29Å; D134-E137 PolarHBondContact N-OE2 3.37Å; D134-E137 WeakPolarHBondContact O-CB 3.12Å; D134-E137 PolarHBondContact O-N 3.48Å; D134-L138 PolarHBondContact O-N 2.49Å
135A91Very high92.8Very high0 Ų052.8 Ų52.80%027%0.273CS..Hα-helixtrans-53.9-37.1-178.300000113.7D83 Q85 L138 F174 F178D83-A135 PolarHBondContact OD1-N 3.27Å; Q85-A135 HydrophobicContact CB-CB 4.25Å; Q85-A135 HydrophobicContact CG-CB 4.34Å; A135-L138 PolarHBondContact O-N 2.91Å; A135-F174 HydrophobicContact CB-CD1 4.08Å; A135-F174 HydrophobicContact CB-CE1 3.58Å; A135-F174 HydrophobicContact CB-CZ 4.35Å; A135-F174 VanDerWaalsContact O-CZ 3.24Å; A135-F174 WeakPolarHBondContact O-CZ 3.5Å; A135-F178 HydrophobicContact CB-CE1 3.91Å; A135-F178 HydrophobicContact CB-CE2 4.08Å; A135-F178 HydrophobicContact CB-CZ 3.53Å
136G89.3Confident92.7Very high37 Ų3753.6 Ų53.638%0.38128%0.279SS..Hα-helixtrans-69-31.2176.100000114.2D134 I139 T140D134-G136 PolarHBondContact O-N 3.29Å; D134-G136 VanDerWaalsContact O-N 3.14Å; G136-I139 PolarHBondContact O-N 2.91Å; G136-T140 PolarHBondContact O-N 2.89Å; G136-T140 VanDerWaalsContact O-N 3.1Å; G136-T140 PolarHBondContact O-OG1 3.05Å
137E92.2Very high92.6Very high60 Ų6060.8 Ų60.828%0.2831%0.306SS..Hα-helixtrans-72.6-33.6177.4-63.5179.9142.400111.2F133 D134 I139 T140 Q141F133-E137 HydrophobicContact CB-CB 4.42Å; F133-E137 HydrophobicContact CD1-CB 4.28Å; D134-E137 HydrophobicContact CB-CG 4.29Å; D134-E137 PolarHBondContact N-OE2 3.37Å; D134-E137 WeakPolarHBondContact O-CB 3.12Å; D134-E137 PolarHBondContact O-N 3.48Å; E137-I139 PolarHBondContact O-N 2.97Å; E137-T140 WeakPolarHBondContact CA-OG1 3.14Å; E137-T140 PolarHBondContact O-N 3.28Å; E137-Q141 WeakPolarHBondContact O-CA 3.5Å; E137-Q141 WeakPolarHBondContact O-CB 3.17Å; E137-Q141 PolarHBondContact O-N 3.38Å
138L91.2Very high92.6Very high3 Ų358.8 Ų58.82%0.01630%0.298CS..Hα-helixtrans-61.8-26.3174.7-62174.7000112.9V87 V130 F133 D134 A135 V145 L172 F174V87-L138 HydrophobicContact CG1-CD1 4.45Å; V87-L138 HydrophobicContact CG2-CD1 4Å; V130-L138 HydrophobicContact CG1-CD1 3.8Å; V130-L138 HydrophobicContact CG1-CD2 4.3Å; V130-L138 HydrophobicContact CG2-CD2 4.45Å; F133-L138 HydrophobicContact CB-CD2 3.8Å; F133-L138 HydrophobicContact CB-CG 4.27Å; F133-L138 HydrophobicContact CG-CD2 4.46Å; D134-L138 PolarHBondContact O-N 2.49Å; A135-L138 PolarHBondContact O-N 2.91Å; L138-V145 HydrophobicContact CD2-CG1 4.03Å; L138-V145 HydrophobicContact CD2-CG2 4.05Å; L138-L172 HydrophobicContact CB-CD1 4.09Å; L138-F174 HydrophobicContact CB-CZ 4.35Å; L138-F174 HydrophobicContact CD1-CE1 4.38Å
139I89.3Confident92.7Very high96 Ų9656.5 Ų56.549%0.49228%0.282SS..Hα-helixtrans-84.1-50.9175-56.8174.3000110.4G136 E137 F174G136-I139 PolarHBondContact O-N 2.91Å; E137-I139 PolarHBondContact O-N 2.97Å; I139-F174 HydrophobicContact CD1-CD2 4.31Å; I139-F174 HydrophobicContact CD1-CE2 3.46Å; I139-F174 VanDerWaalsContact CD1-CE2 3.46Å; I139-F174 HydrophobicContact CD1-CZ 3.93Å; I139-F174 HydrophobicContact CG1-CE2 3.46Å; I139-F174 VanDerWaalsContact CG1-CE2 3.46Å; I139-F174 HydrophobicContact CG1-CZ 3.66Å
140T90.6Very high92.7Very high110 Ų11058 Ų5868%0.67529%0.293SS*.Hα-helixtrans-79.1-36.2-170.452.50000113.3G136 E137G136-T140 PolarHBondContact O-N 2.89Å; G136-T140 VanDerWaalsContact O-N 3.1Å; G136-T140 PolarHBondContact O-OG1 3.05Å; E137-T140 WeakPolarHBondContact CA-OG1 3.14Å; E137-T140 PolarHBondContact O-N 3.28Å
141Q93.1Very high92.8Very high87 Ų8763 Ų6341%0.40732%0.32SS..THydrogen-bonded Turntrans-112.732.2-176.7-58.5-174.16.600112.4E137 E143 L144 V145E137-Q141 WeakPolarHBondContact O-CA 3.5Å; E137-Q141 WeakPolarHBondContact O-CB 3.17Å; E137-Q141 PolarHBondContact O-N 3.38Å; Q141-E143 PolarHBondContact O-N 3.5Å; Q141-E143 VanDerWaalsContact O-N 3.11Å; Q141-L144 HydrophobicContact CB-CB 4.4Å; Q141-L144 WeakPolarHBondContact O-CB 3.31Å; Q141-L144 PolarHBondContact O-N 3.2Å; Q141-V145 PolarHBondContact O-N 3.1Å
142R91.1Very high92.9Very high99 Ų9962.7 Ų62.737%0.37431%0.311SS..Hα-helixtrans-51.8-38.6-176.7-171.4-176.6-168.1-13212.6114.1V145 S146 L169 T170R142-V145 PolarHBondContact O-N 3.21Å; R142-S146 WeakPolarHBondContact O-CB 3.46Å; R142-S146 PolarHBondContact O-N 2.93Å; R142-L169 HydrophobicContact CG-CD1 4.36Å; R142-L169 VanDerWaalsContact CZ-O 3.24Å; R142-L169 PolarHBondContact NH1-O 2.9Å; R142-L169 PolarHBondContact NH2-O 3.5Å; R142-T170 PolarHBondContact NH2-O 3.34Å
143E91.7Very high92.9Very high111 Ų11156.2 Ų56.252%0.51929%0.286SS..Hα-helixtrans-63.5-41.8179.7-179.360.8-161.300111.9Q141 S146 R147Q141-E143 PolarHBondContact O-N 3.5Å; Q141-E143 VanDerWaalsContact O-N 3.11Å; E143-S146 PolarHBondContact O-N 3.01Å; E143-R147 WeakPolarHBondContact O-CG 3.2Å; E143-R147 PolarHBondContact O-N 2.94Å; E143-R147 IonicContact OE1-CZ 3.81Å; E143-R147 VanDerWaalsContact OE1-CZ 3.23Å; E143-R147 IonicContact OE1-NE 2.81Å; E143-R147 PolarHBondContact OE1-NE 3.01Å; E143-R147 IonicContact OE1-NH2 3.23Å; E143-R147 PolarHBondContact OE1-NH2 3.48Å
144L93.1Very high92.9Very high86 Ų8657.1 Ų57.145%0.4529%0.294SS..Hα-helixtrans-65.1-44.9177.9-176.5150.5000110.6F133 Q141 S146 R147 Q148F133-L144 HydrophobicContact CE1-CD2 3.7Å; F133-L144 HydrophobicContact CZ-CD2 3.5Å; Q141-L144 HydrophobicContact CB-CB 4.4Å; Q141-L144 WeakPolarHBondContact O-CB 3.31Å; Q141-L144 PolarHBondContact O-N 3.2Å; L144-S146 PolarHBondContact O-N 3.41Å; L144-R147 PolarHBondContact O-N 2.77Å; L144-Q148 PolarHBondContact O-N 3.33Å
145V93.1Very high93Very high4 Ų461.3 Ų61.32%0.02431%0.312CS..Hα-helixtrans-62.4-43.6176.3-178.60000110.7V129 F133 L138 Q141 R142 R147 Q148 V149 L169V129-V145 HydrophobicContact CG1-CG1 4.31Å; F133-V145 HydrophobicContact CD1-CG2 4.16Å; F133-V145 HydrophobicContact CD2-CG2 3.97Å; F133-V145 HydrophobicContact CE1-CG2 4.21Å; F133-V145 HydrophobicContact CE2-CG2 4.03Å; F133-V145 HydrophobicContact CG-CG2 4.04Å; F133-V145 HydrophobicContact CZ-CG2 4.15Å; L138-V145 HydrophobicContact CD2-CG1 4.03Å; L138-V145 HydrophobicContact CD2-CG2 4.05Å; Q141-V145 PolarHBondContact O-N 3.1Å; R142-V145 PolarHBondContact O-N 3.21Å; V145-R147 VanDerWaalsContact C-N 3.34Å; V145-R147 PolarHBondContact O-N 3.28Å; V145-Q148 PolarHBondContact O-N 3.18Å; V145-V149 HydrophobicContact CG1-CG2 4.33Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.41Å; V145-V149 PolarHBondContact O-N 3.24Å; V145-L169 HydrophobicContact CG1-CD1 4.3Å
146S92.7Very high93.2Very high21 Ų2167 Ų6715%0.14733%0.333CS..Hα-helixtrans-61.1-42179.2-160.40000112.1R142 E143 L144 S150R142-S146 WeakPolarHBondContact O-CB 3.46Å; R142-S146 PolarHBondContact O-N 2.93Å; E143-S146 PolarHBondContact O-N 3.01Å; L144-S146 PolarHBondContact O-N 3.41Å; S146-S150 WeakPolarHBondContact O-CB 3.19Å; S146-S150 PolarHBondContact O-N 3.12Å
147R93.6Very high93.4Very high151 Ų15165.3 Ų65.357%0.5732%0.315SS*.Hα-helixtrans-64.2-47.8176.3-71.9177-167.4175.43.2111.7E143 L144 V145 V149 S150 D151E143-R147 WeakPolarHBondContact O-CG 3.2Å; E143-R147 PolarHBondContact O-N 2.94Å; E143-R147 IonicContact OE1-CZ 3.81Å; E143-R147 VanDerWaalsContact OE1-CZ 3.23Å; E143-R147 IonicContact OE1-NE 2.81Å; E143-R147 PolarHBondContact OE1-NE 3.01Å; E143-R147 IonicContact OE1-NH2 3.23Å; E143-R147 PolarHBondContact OE1-NH2 3.48Å; L144-R147 PolarHBondContact O-N 2.77Å; V145-R147 VanDerWaalsContact C-N 3.34Å; V145-R147 PolarHBondContact O-N 3.28Å; R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 2.97Å; R147-S150 WeakPolarHBondContact O-CA 3.24Å; R147-S150 WeakPolarHBondContact O-CB 3.49Å; R147-S150 PolarHBondContact O-N 3.46Å; R147-D151 PolarHBondContact O-N 2.92Å
148Q94.6Very high93.4Very high55 Ų5566.3 Ų66.326%0.25732%0.323SS..Hα-helixtrans-62.1-41179.7-171.2166.22100112.3V129 F133 L144 V145 S150 D151 D152V129-Q148 HydrophobicContact CG1-CB 4.33Å; V129-Q148 HydrophobicContact CG1-CG 4.14Å; V129-Q148 HydrophobicContact CG2-CG 4.38Å; F133-Q148 VanDerWaalsContact CE2-OE1 3.3Å; F133-Q148 VanDerWaalsContact CZ-OE1 3.27Å; L144-Q148 PolarHBondContact O-N 3.33Å; V145-Q148 PolarHBondContact O-N 3.18Å; Q148-S150 VanDerWaalsContact C-N 3.34Å; Q148-D151 PolarHBondContact O-N 2.94Å; Q148-D152 WeakPolarHBondContact O-CB 3.37Å; Q148-D152 PolarHBondContact O-N 3.22Å; Q148-D152 VanDerWaalsContact O-N 3.11Å
149V95.3Very high93.4Very high1 Ų170.7 Ų70.71%0.00635%0.35CS..Hα-helixtrans-62.4-42.8172.7172.70000110.9L91 L126 V129 V145 R147 L153 V167L91-V149 HydrophobicContact CD1-CG1 4.28Å; L91-V149 HydrophobicContact CD2-CG1 4.23Å; L126-V149 HydrophobicContact CD1-CG1 4.13Å; L126-V149 HydrophobicContact CD1-CG2 3.98Å; V129-V149 HydrophobicContact CB-CG2 3.93Å; V129-V149 HydrophobicContact CG1-CG2 3.78Å; V129-V149 HydrophobicContact CG2-CG2 4.17Å; V145-V149 HydrophobicContact CG1-CG2 4.33Å; V145-V149 VanDerWaalsContact O-CG2 3.29Å; V145-V149 WeakPolarHBondContact O-CG2 3.41Å; V145-V149 PolarHBondContact O-N 3.24Å; R147-V149 VanDerWaalsContact C-N 3.33Å; R147-V149 PolarHBondContact O-N 2.97Å; V149-L153 WeakPolarHBondContact O-CB 3.33Å; V149-L153 PolarHBondContact O-N 3.46Å; V149-V167 HydrophobicContact CG1-CG1 4.48Å
150S94.9Very high93.5Very high31 Ų3170.1 Ų70.122%0.21734%0.344CS..Hα-helixtrans-61.4-45.4179-176.30000112S146 R147 Q148 T154S146-S150 WeakPolarHBondContact O-CB 3.19Å; S146-S150 PolarHBondContact O-N 3.12Å; R147-S150 WeakPolarHBondContact O-CA 3.24Å; R147-S150 WeakPolarHBondContact O-CB 3.49Å; R147-S150 PolarHBondContact O-N 3.46Å; Q148-S150 VanDerWaalsContact C-N 3.34Å; S150-T154 WeakPolarHBondContact O-CB 3.45Å; S150-T154 PolarHBondContact O-N 3.36Å; S150-T154 PolarHBondContact O-OG1 3.11Å
151D95.1Very high93.5Very high107 Ų10764.9 Ų64.957%0.57231%0.312SS*.Hα-helixtrans-65.2-52.6-178.6-66.5-21.6000111R147 Q148 L153 T154 E155R147-D151 PolarHBondContact O-N 2.92Å; Q148-D151 PolarHBondContact O-N 2.94Å; D151-L153 VanDerWaalsContact C-N 3.33Å; D151-L153 PolarHBondContact O-N 3.39Å; D151-T154 PolarHBondContact O-N 3.46Å; D151-E155 PolarHBondContact O-N 3.3Å
152D95.6Very high93.5Very high46 Ų4660.8 Ų60.825%0.24629%0.292CS..Hα-helixtrans-62.2-40.8179.9-73.64.3000111.2V125 Q148 R156V125-D152 HydrophobicContact CG1-CB 3.63Å; Q148-D152 WeakPolarHBondContact O-CB 3.37Å; Q148-D152 PolarHBondContact O-N 3.22Å; Q148-D152 VanDerWaalsContact O-N 3.11Å; D152-R156 WeakPolarHBondContact O-CG 3.32Å; D152-R156 PolarHBondContact O-N 3.24Å; D152-R156 VanDerWaalsContact O-N 3.12Å
153L95.5Very high93.7Very high2 Ų258 Ų581%0.0129%0.285CS..Hα-helixtrans-69.9-36.6179.1-168.865.7000111.6L91 I93 I121 V125 V149 D151 R156 A157 L164 V167L91-L153 HydrophobicContact CD2-CD2 3.79Å; I93-L153 HydrophobicContact CD1-CD2 4.08Å; I93-L153 HydrophobicContact CG1-CD2 4.4Å; I121-L153 HydrophobicContact CB-CD1 4.32Å; I121-L153 HydrophobicContact CD1-CD1 4.02Å; I121-L153 HydrophobicContact CG1-CD1 3.85Å; V125-L153 HydrophobicContact CB-CD1 4.22Å; V125-L153 HydrophobicContact CG1-CB 4.26Å; V125-L153 HydrophobicContact CG2-CD1 4.11Å; V149-L153 WeakPolarHBondContact O-CB 3.33Å; V149-L153 PolarHBondContact O-N 3.46Å; D151-L153 VanDerWaalsContact C-N 3.33Å; D151-L153 PolarHBondContact O-N 3.39Å; L153-R156 PolarHBondContact O-N 3.41Å; L153-A157 WeakPolarHBondContact O-CB 3.11Å; L153-A157 PolarHBondContact O-N 3.24Å; L153-L164 HydrophobicContact CB-CD1 4.11Å; L153-L164 HydrophobicContact CD2-CD1 3.83Å; L153-L164 HydrophobicContact CG-CD1 3.6Å; L153-V167 HydrophobicContact CD2-CG1 4.08Å; L153-V167 HydrophobicContact CD2-CG2 4.19Å
154T95.1Very high93.8Very high40 Ų4053.6 Ų53.625%0.24527%0.265CS..Hα-helixtrans-66.2-42.6176.9-620000111.1S150 D151 R156 A157 N158S150-T154 WeakPolarHBondContact O-CB 3.45Å; S150-T154 PolarHBondContact O-N 3.36Å; S150-T154 PolarHBondContact O-OG1 3.11Å; D151-T154 PolarHBondContact O-N 3.46Å; T154-R156 PolarHBondContact O-N 2.99Å; T154-A157 PolarHBondContact O-N 2.81Å; T154-N158 WeakPolarHBondContact O-CB 3.23Å; T154-N158 VanDerWaalsContact O-CG 3.28Å; T154-N158 PolarHBondContact O-N 3.49Å; T154-N158 PolarHBondContact O-ND2 3.06Å
155E94.9Very high93.8Very high140 Ų14052.8 Ų52.865%0.65426%0.26SS*.Hα-helixtrans-59.7-47.1174.7-172.5-178.7172.600111.4D151 T159D151-E155 PolarHBondContact O-N 3.3Å; E155-T159 PolarHBondContact O-OG1 3.04Å
156R94.8Very high93.8Very high121 Ų12156.2 Ų56.246%0.45728%0.279SS..Hα-helixtrans-63.1-46.7176.7-70.6-60.1-142.5-167.16.4112.2E124 V125 D152 L153 T154 N158 T159 F160E124-R156 IonicContact OE1-CZ 2.84Å; E124-R156 IonicContact OE1-NE 2.7Å; E124-R156 IonicContact OE1-NH2 3.59Å; E124-R156 PolarHBondContact OE1-NH2 2.98Å; V125-R156 HydrophobicContact CG2-CG 3.88Å; D152-R156 WeakPolarHBondContact O-CG 3.32Å; D152-R156 PolarHBondContact O-N 3.24Å; D152-R156 VanDerWaalsContact O-N 3.12Å; L153-R156 PolarHBondContact O-N 3.41Å; T154-R156 PolarHBondContact O-N 2.99Å; R156-N158 VanDerWaalsContact C-N 3.33Å; R156-N158 PolarHBondContact O-N 2.89Å; R156-T159 WeakPolarHBondContact O-CB 3.46Å; R156-T159 PolarHBondContact O-N 3.39Å; R156-F160 VanDerWaalsContact O-CD2 3.32Å; R156-F160 WeakPolarHBondContact O-CD2 3.3Å
157A93.6Very high93.9Very high0 Ų055.6 Ų55.60%027%0.274CS..Hα-helixtrans-63-37.8-178.500000112.6I121 L153 T154 T159 F160 G161 L162 L164I121-A157 HydrophobicContact CD1-CB 4.05Å; L153-A157 WeakPolarHBondContact O-CB 3.11Å; L153-A157 PolarHBondContact O-N 3.24Å; T154-A157 PolarHBondContact O-N 2.81Å; A157-T159 PolarHBondContact O-N 3.42Å; A157-F160 CarbonylContact O-C 3.57Å; A157-F160 PolarHBondContact O-N 2.84Å; A157-G161 PolarHBondContact O-N 3.37Å; A157-L162 CarbonylContact C-O 3.56Å; A157-L162 VanDerWaalsContact C-O 3.31Å; A157-L162 HydrophobicContact CB-CB 4.21Å; A157-L162 PolarHBondContact O-N 3.12Å; A157-L164 HydrophobicContact CB-CD1 3.84Å; A157-L164 HydrophobicContact CB-CD2 4.06Å; A157-L164 HydrophobicContact CB-CG 3.8Å
158N92.8Very high93.7Very high82 Ų8249.9 Ų49.944%0.43926%0.257SS..Hα-helixtrans-60.1-32.1176.5-81.4-39.1000112.7T154 R156 F160 G161T154-N158 WeakPolarHBondContact O-CB 3.23Å; T154-N158 VanDerWaalsContact O-CG 3.28Å; T154-N158 PolarHBondContact O-N 3.49Å; T154-N158 PolarHBondContact O-ND2 3.06Å; R156-N158 VanDerWaalsContact C-N 3.33Å; R156-N158 PolarHBondContact O-N 2.89Å; N158-F160 PolarHBondContact O-N 3.32Å; N158-G161 PolarHBondContact O-N 3.11Å; N158-G161 VanDerWaalsContact O-N 3.1Å
159T91.7Very high93.6Very high95 Ų9547.8 Ų47.858%0.58325%0.248SC*.Hα-helixtrans-64.3-29.5176.7-56.20000112.1E155 R156 A157E155-T159 PolarHBondContact O-OG1 3.04Å; R156-T159 WeakPolarHBondContact O-CB 3.46Å; R156-T159 PolarHBondContact O-N 3.39Å; A157-T159 PolarHBondContact O-N 3.42Å
160F90.8Very high93.3Very high84 Ų8450.1 Ų50.137%0.36826%0.262SS..THydrogen-bonded Turntrans-94.15.1176.7-62.9-76.8000113.3I109 V117 I121 R156 A157 N158I109-F160 HydrophobicContact CD1-CB 4.48Å; I109-F160 HydrophobicContact CD1-CD1 4.34Å; V117-F160 HydrophobicContact CG1-CB 4.04Å; V117-F160 HydrophobicContact CG1-CD1 4.21Å; V117-F160 HydrophobicContact CG1-CD2 3.79Å; V117-F160 HydrophobicContact CG1-CE2 4.29Å; V117-F160 HydrophobicContact CG1-CG 3.74Å; V117-F160 HydrophobicContact CG2-CD1 4.46Å; I121-F160 HydrophobicContact CG2-CD2 4.16Å; I121-F160 HydrophobicContact CG2-CE2 3.68Å; I121-F160 HydrophobicContact CG2-CZ 4.46Å; R156-F160 VanDerWaalsContact O-CD2 3.32Å; R156-F160 WeakPolarHBondContact O-CD2 3.3Å; A157-F160 CarbonylContact O-C 3.57Å; A157-F160 PolarHBondContact O-N 2.84Å; N158-F160 PolarHBondContact O-N 3.32Å
161G91Very high92.9Very high0 Ų054.7 Ų54.70%028%0.28CS..THydrogen-bonded Turntrans72.827.5-17900000113.7V98 Q101 I105 A157 N158V98-G161 WeakPolarHBondContact CB-O 3.34Å; V98-G161 VanDerWaalsContact CG2-O 3.27Å; V98-G161 WeakPolarHBondContact CG2-O 3.36Å; V98-G161 PolarHBondContact N-O 2.95Å; Q101-G161 VanDerWaalsContact OE1-CA 3.3Å; I105-G161 WeakPolarHBondContact CD1-O 3.49Å; A157-G161 PolarHBondContact O-N 3.37Å; N158-G161 PolarHBondContact O-N 3.11Å; N158-G161 VanDerWaalsContact O-N 3.1Å
162L93.4Very high92.7Very high0 Ų051.5 Ų51.50%026%0.263CS..EExtended strand (participates in β ladder)trans-107.8135.4175-58.9179.3000110.2P97 Y113 V117 L118 A157P97-L162 HydrophobicContact CB-CD2 4.31Å; Y113-L162 HydrophobicContact CD2-CD1 4.42Å; Y113-L162 HydrophobicContact CD2-CD2 3.54Å; Y113-L162 HydrophobicContact CE2-CD2 3.54Å; V117-L162 HydrophobicContact CB-CD1 4.43Å; V117-L162 HydrophobicContact CG1-CD1 4.17Å; L118-L162 HydrophobicContact CD2-CD1 3.94Å; L118-L162 HydrophobicContact CG-CD1 4.34Å; A157-L162 CarbonylContact C-O 3.56Å; A157-L162 VanDerWaalsContact C-O 3.31Å; A157-L162 HydrophobicContact CB-CB 4.21Å; A157-L162 PolarHBondContact O-N 3.12Å
163I94.2Very high92.5Very high42 Ų4253 Ų5322%0.21527%0.273CS..EExtended strand (participates in β ladder)trans-100.9130.2172.8-55.8173.5000107.6F95 R96 V98F95-I163 CarbonylContact C-O 3.57Å; F95-I163 VanDerWaalsContact CA-O 3.25Å; F95-I163 WeakPolarHBondContact CA-O 3.5Å; R96-I163 HydrophobicContact CG-CB 4.04Å; R96-I163 PolarHBondContact N-O 3.23Å; R96-I163 PolarHBondContact O-N 3.01Å; V98-I163 HydrophobicContact CG2-CD1 3.82Å; V98-I163 HydrophobicContact CG2-CG1 3.49Å; V98-I163 VanDerWaalsContact CG2-CG1 3.49Å
164L94.8Very high92.3Very high18 Ų1854.3 Ų54.39%0.09428%0.279CS..EExtended strand (participates in β ladder)trans-99.1117.7170.8-50.9-176.6000107.7I93 L94 F95 L118 L153 A157 V167I93-L164 HydrophobicContact CG2-CD2 3.68Å; L94-L164 CarbonylContact O-C 3.52Å; L94-L164 WeakPolarHBondContact O-CA 3.48Å; F95-L164 HydrophobicContact CB-CD2 3.7Å; L118-L164 HydrophobicContact CD2-CD2 4.47Å; L153-L164 HydrophobicContact CB-CD1 4.11Å; L153-L164 HydrophobicContact CD2-CD1 3.83Å; L153-L164 HydrophobicContact CG-CD1 3.6Å; A157-L164 HydrophobicContact CB-CD1 3.84Å; A157-L164 HydrophobicContact CB-CD2 4.06Å; A157-L164 HydrophobicContact CB-CG 3.8Å; L164-V167 HydrophobicContact CB-CG2 4.03Å; L164-V167 HydrophobicContact CD1-CG2 3.83Å
165D93.1Very high92Very high68 Ų6854.1 Ų54.136%0.36428%0.284SS..EExtended strand (participates in β ladder)trans-85.4-32.1178-61.4-51.7000111S70 L94 R96S70-D165 VanDerWaalsContact CB-OD2 3.29Å; S70-D165 WeakPolarHBondContact CB-OD2 3.44Å; S70-D165 PolarHBondContact OG-OD2 2.92Å; L94-D165 HydrophobicContact CD2-CB 4.05Å; L94-D165 HydrophobicContact CG-CB 4.26Å; L94-D165 PolarHBondContact O-N 3.39Å; R96-D165 WeakPolarHBondContact CD-OD2 3.48Å; R96-D165 IonicContact CZ-OD1 3.69Å; R96-D165 IonicContact NE-OD1 3.63Å; R96-D165 PolarHBondContact NE-OD1 3.36Å; R96-D165 IonicContact NE-OD2 3.74Å; R96-D165 PolarHBondContact NE-OD2 3.38Å; R96-D165 IonicContact NH2-OD1 2.66Å
166D92.9Very high91.8Very high77 Ų7754.8 Ų54.841%0.41229%0.285SS..EExtended strand (participates in β ladder)trans-152.4142.4175.7179.648.7000111L94 S168L94-D166 HydrophobicContact CB-CB 4Å; L94-D166 PolarHBondContact N-O 2.92Å; L94-D166 PolarHBondContact O-N 3.11Å; D166-S168 PolarHBondContact OD2-OG 2.92Å
167V93.6Very high91.5Very high8 Ų856.9 Ų56.95%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-135.2114.5175.7-179.40000108.2L91 I93 V149 L153 L164L91-V167 HydrophobicContact CD1-CG1 3.81Å; L91-V167 HydrophobicContact CD2-CG1 3.76Å; L91-V167 HydrophobicContact CG-CG1 3.97Å; I93-V167 HydrophobicContact CG2-CG2 4.42Å; V149-V167 HydrophobicContact CG1-CG1 4.48Å; L153-V167 HydrophobicContact CD2-CG1 4.08Å; L153-V167 HydrophobicContact CD2-CG2 4.19Å; L164-V167 HydrophobicContact CB-CG2 4.03Å; L164-V167 HydrophobicContact CD1-CG2 3.83Å
168S91.1Very high91.3Very high30 Ų3058.6 Ų58.621%0.2131%0.308CS..EExtended strand (participates in β ladder)trans-131.7133-177.147.50000112.5R92 D166 T170R92-S168 PolarHBondContact N-O 2.7Å; R92-S168 PolarHBondContact O-N 2.86Å; D166-S168 PolarHBondContact OD2-OG 2.92Å; S168-T170 PolarHBondContact O-N 3.42Å
169L91.8Very high91.1Very high11 Ų1157.2 Ų57.26%0.05830%0.303CS..EExtended strand (participates in β ladder)trans-71.7124166.5-60.9165.3000107.4I89 L91 L126 R142 V145I89-L169 HydrophobicContact CG2-CD2 3.57Å; L91-L169 HydrophobicContact CD1-CD2 3.49Å; L91-L169 VanDerWaalsContact CD1-CD2 3.49Å; L91-L169 HydrophobicContact CD1-CG 4.03Å; L126-L169 HydrophobicContact CD1-CD2 4.02Å; R142-L169 HydrophobicContact CG-CD1 4.36Å; R142-L169 VanDerWaalsContact CZ-O 3.24Å; R142-L169 PolarHBondContact NH1-O 2.9Å; R142-L169 PolarHBondContact NH2-O 3.5Å; V145-L169 HydrophobicContact CG1-CD1 4.3Å
170T88.1Confident91.1Very high50 Ų5056.5 Ų56.531%0.30729%0.292SS..EExtended strand (participates in β ladder)trans-103.6-64.6-178.350.40000111.4T90 R92 R142 S168T90-T170 WeakPolarHBondContact CB-OG1 3.25Å; T90-T170 PolarHBondContact O-N 3.22Å; T90-T170 PolarHBondContact O-OG1 2.83Å; R92-T170 HydrophobicContact CB-CG2 3.61Å; R142-T170 PolarHBondContact NH2-O 3.34Å; S168-T170 PolarHBondContact O-N 3.42Å
171H87.3Confident91Very high127 Ų12754.8 Ų54.859%0.58829%0.294SS*.EExtended strand (participates in β ladder)trans-109.5133.9179.6-61.7-72000110.1I89 T90I89-H171 CarbonylContact C-O 3.56Å; I89-H171 VanDerWaalsContact CA-O 3.3Å; I89-H171 WeakPolarHBondContact CA-O 3.21Å; T90-H171 PolarHBondContact N-O 3.49Å
172L90.4Very high90.9Very high41 Ų4157 Ų5722%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-136.8115.5174.3-172.2148.1000107.6V87 N88 I89 L138 F174V87-L172 HydrophobicContact CG1-CD1 4.35Å; V87-L172 HydrophobicContact CG1-CD2 4Å; V87-L172 HydrophobicContact CG1-CG 3.86Å; N88-L172 WeakPolarHBondContact O-CA 3.4Å; I89-L172 HydrophobicContact CD1-CD1 4.21Å; I89-L172 HydrophobicContact CG1-CD1 4.09Å; I89-L172 HydrophobicContact CG1-CG 4.1Å; L138-L172 HydrophobicContact CB-CD1 4.09Å; L172-F174 HydrophobicContact CD2-CD2 4.02Å; L172-F174 HydrophobicContact CD2-CE1 4.12Å; L172-F174 HydrophobicContact CD2-CE2 3.18Å; L172-F174 HydrophobicContact CD2-CZ 3.27Å
173T91.8Very high90.8Very high76 Ų7662.2 Ų62.247%0.46633%0.332SS..EExtended strand (participates in β ladder)trans-131.5135.3-178.159.40000109.5N88N88-T173 WeakPolarHBondContact CB-OG1 3.33Å; N88-T173 PolarHBondContact N-O 2.97Å; N88-T173 PolarHBondContact O-N 3.12Å
174F91.2Very high90.8Very high31 Ų3166.4 Ų66.414%0.13635%0.352CS..EExtended strand (participates in β ladder)trans-94.1166.8173.8-58.5-83.9000111V87 A135 L138 I139 L172 F178V87-F174 HydrophobicContact CB-CD1 4.41Å; V87-F174 HydrophobicContact CB-CE1 4.42Å; V87-F174 HydrophobicContact CG1-CD1 4.06Å; V87-F174 HydrophobicContact CG1-CE1 3.87Å; V87-F174 HydrophobicContact CG1-CZ 4.44Å; V87-F174 HydrophobicContact CG2-CD1 3.76Å; V87-F174 HydrophobicContact CG2-CE1 3.67Å; A135-F174 HydrophobicContact CB-CD1 4.08Å; A135-F174 HydrophobicContact CB-CE1 3.58Å; A135-F174 HydrophobicContact CB-CZ 4.35Å; A135-F174 VanDerWaalsContact O-CZ 3.24Å; A135-F174 WeakPolarHBondContact O-CZ 3.5Å; L138-F174 HydrophobicContact CB-CZ 4.35Å; L138-F174 HydrophobicContact CD1-CE1 4.38Å; I139-F174 HydrophobicContact CD1-CD2 4.31Å; I139-F174 HydrophobicContact CD1-CE2 3.46Å; I139-F174 VanDerWaalsContact CD1-CE2 3.46Å; I139-F174 HydrophobicContact CD1-CZ 3.93Å; I139-F174 HydrophobicContact CG1-CE2 3.46Å; I139-F174 VanDerWaalsContact CG1-CE2 3.46Å; I139-F174 HydrophobicContact CG1-CZ 3.66Å; L172-F174 HydrophobicContact CD2-CD2 4.02Å; L172-F174 HydrophobicContact CD2-CE1 4.12Å; L172-F174 HydrophobicContact CD2-CE2 3.18Å; L172-F174 HydrophobicContact CD2-CZ 3.27Å; F174-F178 HydrophobicContact CB-CB 4.39Å; F174-F178 HydrophobicContact CB-CD1 3.76Å; F174-F178 HydrophobicContact CB-CG 4.46Å; F174-F178 HydrophobicContact CD1-CD1 4.07Å; F174-F178 HydrophobicContact CD1-CE1 4.16Å; F174-F178 HydrophobicContact CD2-CD1 4.38Å; F174-F178 HydrophobicContact CD2-CE1 4.47Å; F174-F178 HydrophobicContact CE1-CE1 4.5Å; F174-F178 AromaticContact CG-CD1 3.81Å; F174-F178 HydrophobicContact CG-CD1 3.81Å; F174-F178 HydrophobicContact CG-CE1 4.14Å
175G88.7Confident90.6Very high35 Ų3572.7 Ų72.736%0.36138%0.378SS..  trans-54.5145167.300000111.8N86 E177 F178 T179N86-G175 PolarHBondContact O-N 3.27Å; G175-E177 VanDerWaalsContact C-N 3.26Å; G175-E177 PolarHBondContact O-N 2.86Å; G175-F178 PolarHBondContact O-N 3.42Å; G175-F178 VanDerWaalsContact O-N 3.11Å; G175-T179 PolarHBondContact O-N 3.04Å; G175-T179 PolarHBondContact O-OG1 3.26Å
176K90.1Very high90.6Very high155 Ų15574.6 Ų74.667%0.67439%0.385SS*.Hα-helixtrans-54.1-42.7-176.4-169-178.5-175.4-101.10112.4F178 T179 E180K176-F178 VanDerWaalsContact C-N 3.34Å; K176-F178 PolarHBondContact O-N 2.82Å; K176-T179 PolarHBondContact O-N 2.66Å; K176-E180 VanDerWaalsContact CE-OE1 3.24Å; K176-E180 WeakPolarHBondContact CE-OE1 3.33Å; K176-E180 WeakPolarHBondContact CG-OE1 3.25Å; K176-E180 IonicContact NZ-OE1 3.68Å; K176-E180 PolarHBondContact NZ-OE1 2.99Å; K176-E180 WeakPolarHBondContact O-CG 3.48Å; K176-E180 PolarHBondContact O-N 3.18Å
177E88.8Confident90.8Very high165 Ų16574.4 Ų74.477%0.77139%0.387SS*.Hα-helixtrans-60.7-39.9-179.7-62.4172.2179.400112.5G175 A181G175-E177 VanDerWaalsContact C-N 3.26Å; G175-E177 PolarHBondContact O-N 2.86Å; E177-A181 WeakPolarHBondContact O-CB 3.4Å; E177-A181 PolarHBondContact O-N 3.42Å
178F88.8Confident90.9Very high36 Ų3676.5 Ų76.516%0.15841%0.405CS..Hα-helixtrans-69.5-44.7177.9-179.1-95.8000111.3Q85 A135 F174 G175 K176 E180 A181 V182Q85-F178 HydrophobicContact CG-CD2 3.87Å; Q85-F178 HydrophobicContact CG-CE2 4.1Å; A135-F178 HydrophobicContact CB-CE1 3.91Å; A135-F178 HydrophobicContact CB-CE2 4.08Å; A135-F178 HydrophobicContact CB-CZ 3.53Å; F174-F178 HydrophobicContact CB-CB 4.39Å; F174-F178 HydrophobicContact CB-CD1 3.76Å; F174-F178 HydrophobicContact CB-CG 4.46Å; F174-F178 HydrophobicContact CD1-CD1 4.07Å; F174-F178 HydrophobicContact CD1-CE1 4.16Å; F174-F178 HydrophobicContact CD2-CD1 4.38Å; F174-F178 HydrophobicContact CD2-CE1 4.47Å; F174-F178 HydrophobicContact CE1-CE1 4.5Å; F174-F178 AromaticContact CG-CD1 3.81Å; F174-F178 HydrophobicContact CG-CD1 3.81Å; F174-F178 HydrophobicContact CG-CE1 4.14Å; G175-F178 PolarHBondContact O-N 3.42Å; G175-F178 VanDerWaalsContact O-N 3.11Å; K176-F178 VanDerWaalsContact C-N 3.34Å; K176-F178 PolarHBondContact O-N 2.82Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 3.38Å; F178-A181 PolarHBondContact O-N 2.66Å; F178-V182 HydrophobicContact CD1-CG2 4.01Å; F178-V182 HydrophobicContact CE1-CG2 3.59Å; F178-V182 HydrophobicContact CE2-CG2 4.21Å; F178-V182 HydrophobicContact CG-CG2 4.49Å; F178-V182 HydrophobicContact CZ-CG2 3.71Å; F178-V182 WeakPolarHBondContact O-CG2 3.25Å; F178-V182 PolarHBondContact O-N 2.82Å
179T89.1Confident91.1Very high53 Ų5380.1 Ų80.133%0.32542%0.419SS..Hα-helixtrans-58.9-46.7177-54.50000110.9G175 K176 A181 V182 E183G175-T179 PolarHBondContact O-N 3.04Å; G175-T179 PolarHBondContact O-OG1 3.26Å; K176-T179 PolarHBondContact O-N 2.66Å; T179-A181 PolarHBondContact O-N 3.42Å; T179-V182 PolarHBondContact O-N 3.49Å; T179-E183 WeakPolarHBondContact O-CG 3.29Å; T179-E183 PolarHBondContact O-N 2.88Å
180E92Very high91.3Very high79 Ų7985.6 Ų85.637%0.36944%0.444SS..Hα-helixtrans-60.9-43.1176.1-72.5175.1-17800112K176 F178 V182 E183 M184K176-E180 VanDerWaalsContact CE-OE1 3.24Å; K176-E180 WeakPolarHBondContact CE-OE1 3.33Å; K176-E180 WeakPolarHBondContact CG-OE1 3.25Å; K176-E180 IonicContact NZ-OE1 3.68Å; K176-E180 PolarHBondContact NZ-OE1 2.99Å; K176-E180 WeakPolarHBondContact O-CG 3.48Å; K176-E180 PolarHBondContact O-N 3.18Å; F178-E180 VanDerWaalsContact C-N 3.34Å; F178-E180 PolarHBondContact O-N 3.38Å; E180-V182 PolarHBondContact O-N 3.43Å; E180-E183 PolarHBondContact O-N 3.47Å; E180-M184 WeakPolarHBondContact O-CB 3.29Å; E180-M184 WeakPolarHBondContact O-CG 3.27Å; E180-M184 PolarHBondContact O-N 2.91Å
181A89.4Confident91.7Very high49 Ų4989.3 Ų89.341%0.40546%0.458SS..Hα-helixtrans-64.7-38.6177.800000112.7E177 F178 T179 K185E177-A181 WeakPolarHBondContact O-CB 3.4Å; E177-A181 PolarHBondContact O-N 3.42Å; F178-A181 PolarHBondContact O-N 2.66Å; T179-A181 PolarHBondContact O-N 3.42Å; A181-K185 WeakPolarHBondContact O-CB 3.38Å; A181-K185 PolarHBondContact O-N 3.4Å
182V88.8Confident92.1Very high45 Ų4585.7 Ų85.727%0.27345%0.45SS..Hα-helixtrans-67.2-44.1175.8171.50000110.8F178 T179 E180 K185 Q186F178-V182 HydrophobicContact CD1-CG2 4.01Å; F178-V182 HydrophobicContact CE1-CG2 3.59Å; F178-V182 HydrophobicContact CE2-CG2 4.21Å; F178-V182 HydrophobicContact CG-CG2 4.49Å; F178-V182 HydrophobicContact CZ-CG2 3.71Å; F178-V182 WeakPolarHBondContact O-CG2 3.25Å; F178-V182 PolarHBondContact O-N 2.82Å; T179-V182 PolarHBondContact O-N 3.49Å; E180-V182 PolarHBondContact O-N 3.43Å; V182-K185 PolarHBondContact O-N 2.9Å; V182-Q186 WeakPolarHBondContact O-CG 3.44Å; V182-Q186 PolarHBondContact O-N 3Å
183E90.3Very high92.4Very high111 Ų11189.1 Ų89.152%0.51947%0.465SS..Hα-helixtrans-60.4-47.4175.3-73.9176.4-179.700111.2T179 E180 K185 Q186 V187T179-E183 WeakPolarHBondContact O-CG 3.29Å; T179-E183 PolarHBondContact O-N 2.88Å; E180-E183 PolarHBondContact O-N 3.47Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 2.71Å; E183-Q186 PolarHBondContact O-N 3.39Å; E183-Q186 VanDerWaalsContact O-N 3.15Å; E183-V187 WeakPolarHBondContact O-CG2 3.44Å; E183-V187 PolarHBondContact O-N 3.39Å
184M93.9Very high92.6Very high129 Ų12994.8 Ų94.864%0.63548%0.477SS*.Hα-helixtrans-59.1-41.6175.7-75.3-168.9-66.900112.2E180 V187 A188E180-M184 WeakPolarHBondContact O-CB 3.29Å; E180-M184 WeakPolarHBondContact O-CG 3.27Å; E180-M184 PolarHBondContact O-N 2.91Å; M184-V187 PolarHBondContact O-N 2.96Å; M184-A188 WeakPolarHBondContact O-CB 3.33Å; M184-A188 PolarHBondContact O-N 2.9Å
185K92.4Very high92.8Very high150 Ų15095.9 Ų95.965%0.65249%0.493SS*.Hα-helixtrans-64-40.8176.3-174.6179.7178.4-177.90111.7A181 V182 E183 A188 Q189A181-K185 WeakPolarHBondContact O-CB 3.38Å; A181-K185 PolarHBondContact O-N 3.4Å; V182-K185 PolarHBondContact O-N 2.9Å; E183-K185 VanDerWaalsContact C-N 3.31Å; E183-K185 PolarHBondContact O-N 2.71Å; K185-A188 PolarHBondContact O-N 3.44Å; K185-Q189 VanDerWaalsContact O-CB 3.3Å; K185-Q189 WeakPolarHBondContact O-CB 3.36Å; K185-Q189 PolarHBondContact O-N 2.82Å
186Q92.6Very high93.2Very high108 Ų108103.4 Ų103.451%0.50551%0.51SS..Hα-helixtrans-64.8-43.8176.8-73.5178.76.100111.5V182 E183 Q189 Q190V182-Q186 WeakPolarHBondContact O-CG 3.44Å; V182-Q186 PolarHBondContact O-N 3Å; E183-Q186 PolarHBondContact O-N 3.39Å; E183-Q186 VanDerWaalsContact O-N 3.15Å; Q186-Q189 PolarHBondContact O-N 2.87Å; Q186-Q190 WeakPolarHBondContact O-CB 3.47Å; Q186-Q190 VanDerWaalsContact O-CG 3.3Å; Q186-Q190 WeakPolarHBondContact O-CG 3.39Å; Q186-Q190 PolarHBondContact O-N 3.46Å
187V96.1Very high93.6Very high73 Ų73102.5 Ų102.544%0.44251%0.506SS..Hα-helixtrans-61-50175.7173.60000110.3E183 M184 Q189 Q190 E191E183-V187 WeakPolarHBondContact O-CG2 3.44Å; E183-V187 PolarHBondContact O-N 3.39Å; M184-V187 PolarHBondContact O-N 2.96Å; V187-Q189 VanDerWaalsContact C-N 3.28Å; V187-Q189 PolarHBondContact O-N 3.01Å; V187-Q190 PolarHBondContact O-N 3.08Å; V187-E191 HydrophobicContact CG1-CG 4.39Å; V187-E191 WeakPolarHBondContact O-CB 3.39Å; V187-E191 WeakPolarHBondContact O-CG 3.5Å; V187-E191 PolarHBondContact O-N 2.7Å
188A95.8Very high94Very high53 Ų5398.8 Ų98.844%0.43850%0.495SS..Hα-helixtrans-60.5-37.6178.500000112.5M184 K185 A192M184-A188 WeakPolarHBondContact O-CB 3.33Å; M184-A188 PolarHBondContact O-N 2.9Å; K185-A188 PolarHBondContact O-N 3.44Å; A188-A192 WeakPolarHBondContact O-CB 3.3Å; A188-A192 PolarHBondContact O-N 3.35Å
189Q95.6Very high94.4Very high106 Ų106101 Ų10150%0.49551%0.511SS..Hα-helixtrans-68.5-43176.7-174.1167.5-13.500112K185 Q186 V187 E191 A192 E193K185-Q189 VanDerWaalsContact O-CB 3.3Å; K185-Q189 WeakPolarHBondContact O-CB 3.36Å; K185-Q189 PolarHBondContact O-N 2.82Å; Q186-Q189 PolarHBondContact O-N 2.87Å; V187-Q189 VanDerWaalsContact C-N 3.28Å; V187-Q189 PolarHBondContact O-N 3.01Å; Q189-E191 VanDerWaalsContact C-N 3.34Å; Q189-A192 PolarHBondContact O-N 3.05Å; Q189-E193 WeakPolarHBondContact O-CG 3.36Å; Q189-E193 PolarHBondContact O-N 2.92Å
190Q96.1Very high94.7Very high126 Ų126103.5 Ų103.559%0.58952%0.519SS*.Hα-helixtrans-63.7-39.6174.5-72.8176.36.800112Q186 V187 E193 R194Q186-Q190 WeakPolarHBondContact O-CB 3.47Å; Q186-Q190 VanDerWaalsContact O-CG 3.3Å; Q186-Q190 WeakPolarHBondContact O-CG 3.39Å; Q186-Q190 PolarHBondContact O-N 3.46Å; V187-Q190 PolarHBondContact O-N 3.08Å; Q190-E193 PolarHBondContact O-N 2.83Å; Q190-R194 VanDerWaalsContact O-CB 3.32Å; Q190-R194 WeakPolarHBondContact O-CB 3.21Å; Q190-R194 PolarHBondContact O-N 3.1Å
191E95.9Very high95Very high128 Ų128105.4 Ų105.460%0.59853%0.526SS*.Hα-helixtrans-63.8-42.2174.9-75.2-177.6170.800111.7V187 Q189 R194 A195V187-E191 HydrophobicContact CG1-CG 4.39Å; V187-E191 WeakPolarHBondContact O-CB 3.39Å; V187-E191 WeakPolarHBondContact O-CG 3.5Å; V187-E191 PolarHBondContact O-N 2.7Å; Q189-E191 VanDerWaalsContact C-N 3.34Å; E191-R194 PolarHBondContact O-N 3.28Å; E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 3.32Å
192A96.3Very high95.3Very high51 Ų51105.5 Ų105.542%0.42153%0.527SS..Hα-helixtrans-64.3-42.7175.800000112.2A188 Q189 A195 R196A188-A192 WeakPolarHBondContact O-CB 3.3Å; A188-A192 PolarHBondContact O-N 3.35Å; Q189-A192 PolarHBondContact O-N 3.05Å; A192-A195 PolarHBondContact O-N 2.8Å; A192-R196 WeakPolarHBondContact O-CG 3.36Å; A192-R196 PolarHBondContact O-N 2.89Å
193E96.8Very high95.8Very high113 Ų113109.3 Ų109.353%0.52854%0.542SS..Hα-helixtrans-62.9-43.1174.8-75.9174.9-16800111.5Q189 Q190 A195 R196 F197Q189-E193 WeakPolarHBondContact O-CG 3.36Å; Q189-E193 PolarHBondContact O-N 2.92Å; Q190-E193 PolarHBondContact O-N 2.83Å; E193-A195 PolarHBondContact O-N 3.43Å; E193-R196 PolarHBondContact O-N 3.48Å; E193-F197 PolarHBondContact O-N 3.04Å
194R96.1Very high96.1Very high194 Ų194109.8 Ų109.873%0.73254%0.544SS*.Hα-helixtrans-62.4-43.7175.1-173.6178.5-176173.91.7111.8Q190 E191 R196 F197 V198Q190-R194 VanDerWaalsContact O-CB 3.32Å; Q190-R194 WeakPolarHBondContact O-CB 3.21Å; Q190-R194 PolarHBondContact O-N 3.1Å; E191-R194 PolarHBondContact O-N 3.28Å; R194-R196 VanDerWaalsContact C-N 3.34Å; R194-R196 PolarHBondContact O-N 2.83Å; R194-F197 PolarHBondContact O-N 2.83Å; R194-V198 WeakPolarHBondContact O-CG2 3.4Å; R194-V198 PolarHBondContact O-N 2.64Å
195A96.3Very high96.2Very high55 Ų55109.3 Ų109.346%0.45554%0.54SS..Hα-helixtrans-61.7-42.8177.400000111.2E191 A192 E193 F197 V198 V199E191-A195 WeakPolarHBondContact O-CB 3.45Å; E191-A195 PolarHBondContact O-N 3.32Å; A192-A195 PolarHBondContact O-N 2.8Å; E193-A195 PolarHBondContact O-N 3.43Å; A195-F197 PolarHBondContact O-N 2.82Å; A195-V198 PolarHBondContact O-N 2.86Å; A195-V199 WeakPolarHBondContact O-CG2 3.33Å; A195-V199 PolarHBondContact O-N 3.02Å
196R96.9Very high96.4Very high193 Ų193109 Ų10973%0.72854%0.539SS*.Hα-helixtrans-58.7-46.4173.3-74.8-179.9-179.4-153.50.8111.8A192 E193 R194 V198 V199 E200A192-R196 WeakPolarHBondContact O-CG 3.36Å; A192-R196 PolarHBondContact O-N 2.89Å; E193-R196 PolarHBondContact O-N 3.48Å; R194-R196 VanDerWaalsContact C-N 3.34Å; R194-R196 PolarHBondContact O-N 2.83Å; R196-V198 VanDerWaalsContact C-N 3.3Å; R196-V198 PolarHBondContact O-N 3Å; R196-V199 PolarHBondContact O-N 2.83Å; R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 PolarHBondContact O-N 3.12Å
197F97.1Very high96.6Very high136 Ų136108.7 Ų108.760%0.59654%0.537SS*.Hα-helixtrans-63.1-35.7178.3-173.9-101.7000112.8E193 R194 A195 K201E193-F197 PolarHBondContact O-N 3.04Å; R194-F197 PolarHBondContact O-N 2.83Å; A195-F197 PolarHBondContact O-N 2.82Å; F197-K201 VanDerWaalsContact O-CB 3.23Å; F197-K201 WeakPolarHBondContact O-CB 3.47Å; F197-K201 PolarHBondContact O-N 3.35Å
198V97.4Very high96.7Very high86 Ų86108 Ų10852%0.52154%0.539SS..Hα-helixtrans-65.9-43.2175.11710000111.3R194 A195 R196 K201 A202R194-V198 WeakPolarHBondContact O-CG2 3.4Å; R194-V198 PolarHBondContact O-N 2.64Å; A195-V198 PolarHBondContact O-N 2.86Å; R196-V198 VanDerWaalsContact C-N 3.3Å; R196-V198 PolarHBondContact O-N 3Å; V198-K201 PolarHBondContact O-N 3.04Å; V198-A202 WeakPolarHBondContact O-CB 3.48Å; V198-A202 PolarHBondContact O-N 3.39Å
199V96.8Very high96.7Very high83 Ų83108.3 Ų108.350%0.50354%0.542SS..Hα-helixtrans-63.1-48.6176.3173.70000110.4A195 R196 K201 A202 E203A195-V199 WeakPolarHBondContact O-CG2 3.33Å; A195-V199 PolarHBondContact O-N 3.02Å; R196-V199 PolarHBondContact O-N 2.83Å; V199-K201 VanDerWaalsContact C-N 3.33Å; V199-K201 PolarHBondContact O-N 3.18Å; V199-A202 WeakPolarHBondContact O-CB 3.45Å; V199-A202 PolarHBondContact O-N 2.83Å; V199-A202 VanDerWaalsContact O-N 3.09Å; V199-E203 PolarHBondContact O-N 3.3Å
200E97.3Very high96.8Very high106 Ų106106.4 Ų106.450%0.49553%0.534SS..Hα-helixtrans-60-43.5178.1-173.6176.2-17700111.4R196 A202 E203 Q204R196-E200 WeakPolarHBondContact O-CB 3.47Å; R196-E200 PolarHBondContact O-N 3.12Å; E200-A202 VanDerWaalsContact C-N 3.32Å; E200-A202 PolarHBondContact O-N 2.91Å; E200-E203 PolarHBondContact O-N 3.48Å; E200-Q204 VanDerWaalsContact O-CG 3.29Å; E200-Q204 WeakPolarHBondContact O-CG 3.38Å; E200-Q204 PolarHBondContact O-N 2.56Å
201K97.4Very high96.8Very high118 Ų118105 Ų10551%0.51353%0.53SS..Hα-helixtrans-59.7-41.7174.4-177.2177.9178.6179.80112F197 V198 V199 Q204 Q205F197-K201 VanDerWaalsContact O-CB 3.23Å; F197-K201 WeakPolarHBondContact O-CB 3.47Å; F197-K201 PolarHBondContact O-N 3.35Å; V198-K201 PolarHBondContact O-N 3.04Å; V199-K201 VanDerWaalsContact C-N 3.33Å; V199-K201 PolarHBondContact O-N 3.18Å; K201-Q204 PolarHBondContact O-N 2.98Å; K201-Q205 WeakPolarHBondContact O-CB 3.3Å; K201-Q205 VanDerWaalsContact O-CG 3.28Å; K201-Q205 WeakPolarHBondContact O-CG 3.33Å; K201-Q205 PolarHBondContact O-N 3.38Å
202A96.4Very high96.8Very high51 Ų51102 Ų10242%0.42152%0.523SS..Hα-helixtrans-66.5-38.7178.200000111.8V198 V199 E200 Q205 K206V198-A202 WeakPolarHBondContact O-CB 3.48Å; V198-A202 PolarHBondContact O-N 3.39Å; V199-A202 WeakPolarHBondContact O-CB 3.45Å; V199-A202 PolarHBondContact O-N 2.83Å; V199-A202 VanDerWaalsContact O-N 3.09Å; E200-A202 VanDerWaalsContact C-N 3.32Å; E200-A202 PolarHBondContact O-N 2.91Å; A202-Q205 PolarHBondContact O-N 2.96Å; A202-K206 WeakPolarHBondContact O-CB 3.24Å; A202-K206 PolarHBondContact O-N 3.19Å
203E97.5Very high96.8Very high126 Ų126102.2 Ų102.259%0.58953%0.525SS*.Hα-helixtrans-63.8-45.8173.9-72.2-179.1167.300111.8V199 E200 Q205 K206 Q207V199-E203 PolarHBondContact O-N 3.3Å; E200-E203 PolarHBondContact O-N 3.48Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; E203-Q205 PolarHBondContact O-N 2.97Å; E203-K206 WeakPolarHBondContact O-CB 3.45Å; E203-K206 PolarHBondContact O-N 2.94Å; E203-Q207 PolarHBondContact O-N 2.81Å
204Q97.1Very high96.8Very high121 Ų121102.2 Ų102.257%0.56553%0.525SS*.Hα-helixtrans-62.3-40.9176.1-66.7-62.7-19.300111.8E200 K201 Q207 A208E200-Q204 VanDerWaalsContact O-CG 3.29Å; E200-Q204 WeakPolarHBondContact O-CG 3.38Å; E200-Q204 PolarHBondContact O-N 2.56Å; K201-Q204 PolarHBondContact O-N 2.98Å; Q204-Q207 PolarHBondContact O-N 3.08Å; Q204-A208 WeakPolarHBondContact O-CB 3.39Å; Q204-A208 PolarHBondContact O-N 3.46Å
205Q96.4Very high96.8Very high119 Ų11994.6 Ų94.656%0.55651%0.507SS*.Hα-helixtrans-63.9-41.9175.2-77.4179.3-18.400112.3K201 A202 E203 A208 A209K201-Q205 WeakPolarHBondContact O-CB 3.3Å; K201-Q205 VanDerWaalsContact O-CG 3.28Å; K201-Q205 WeakPolarHBondContact O-CG 3.33Å; K201-Q205 PolarHBondContact O-N 3.38Å; A202-Q205 PolarHBondContact O-N 2.96Å; E203-Q205 VanDerWaalsContact C-N 3.34Å; E203-Q205 PolarHBondContact O-N 2.97Å; Q205-A208 PolarHBondContact O-N 2.93Å; Q205-A209 WeakPolarHBondContact O-CB 3.16Å; Q205-A209 PolarHBondContact O-N 3.24Å
206K96.9Very high96.7Very high144 Ų14497 Ų9763%0.62651%0.512SS*.Hα-helixtrans-61.2-46.6174.8179.3-175174.7-1730111A202 E203 A209 I210A202-K206 WeakPolarHBondContact O-CB 3.24Å; A202-K206 PolarHBondContact O-N 3.19Å; E203-K206 WeakPolarHBondContact O-CB 3.45Å; E203-K206 PolarHBondContact O-N 2.94Å; K206-A209 PolarHBondContact O-N 3.44Å; K206-I210 HydrophobicContact CG-CD1 4.17Å; K206-I210 WeakPolarHBondContact O-CG1 3.28Å; K206-I210 PolarHBondContact O-N 2.78Å
207Q97.1Very high96.6Very high100 Ų10091 Ų9147%0.46750%0.5SS..Hα-helixtrans-62.8-43.7178.7-170.162.826.700111.2E203 Q204 A209 I210 I211E203-Q207 PolarHBondContact O-N 2.81Å; Q204-Q207 PolarHBondContact O-N 3.08Å; Q207-A209 VanDerWaalsContact C-N 3.33Å; Q207-A209 PolarHBondContact O-N 2.94Å; Q207-I210 PolarHBondContact O-N 2.63Å; Q207-I211 HydrophobicContact CG-CD1 3.95Å; Q207-I211 VanDerWaalsContact O-CG1 3.3Å; Q207-I211 WeakPolarHBondContact O-CG1 3.47Å; Q207-I211 PolarHBondContact O-N 2.89Å
208A96.7Very high96.5Very high59 Ų5990.4 Ų90.449%0.48850%0.499SS..Hα-helixtrans-60.7-40.4175.300000112.2Q204 Q205 I211 S212Q204-A208 WeakPolarHBondContact O-CB 3.39Å; Q204-A208 PolarHBondContact O-N 3.46Å; Q205-A208 PolarHBondContact O-N 2.93Å; A208-I211 PolarHBondContact O-N 3.21Å; A208-S212 WeakPolarHBondContact O-CB 3.15Å; A208-S212 PolarHBondContact O-N 3.49Å
209A96.7Very high96.3Very high59 Ų5988.4 Ų88.449%0.48849%0.491SS..Hα-helixtrans-66-40.3177.100000112.6Q205 K206 Q207 S212 A213Q205-A209 WeakPolarHBondContact O-CB 3.16Å; Q205-A209 PolarHBondContact O-N 3.24Å; K206-A209 PolarHBondContact O-N 3.44Å; Q207-A209 VanDerWaalsContact C-N 3.33Å; Q207-A209 PolarHBondContact O-N 2.94Å; A209-S212 PolarHBondContact O-N 3.44Å; A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 3.43Å
210I97.3Very high96Very high67 Ų6787.1 Ų87.134%0.34449%0.49SS..Hα-helixtrans-63.4-49.6175.1-66.8167000110.1K206 Q207 S212 A213 E214K206-I210 HydrophobicContact CG-CD1 4.17Å; K206-I210 WeakPolarHBondContact O-CG1 3.28Å; K206-I210 PolarHBondContact O-N 2.78Å; Q207-I210 PolarHBondContact O-N 2.63Å; I210-S212 VanDerWaalsContact C-N 3.29Å; I210-S212 PolarHBondContact O-N 3.37Å; I210-A213 PolarHBondContact O-N 3.09Å; I210-E214 HydrophobicContact CG2-CG 4.4Å; I210-E214 WeakPolarHBondContact O-CB 3.31Å; I210-E214 WeakPolarHBondContact O-CG 3.46Å; I210-E214 PolarHBondContact O-N 2.91Å
211I96.9Very high95.7Very high95 Ų9586.9 Ų86.949%0.48749%0.491SS..Hα-helixtrans-60.2-40.8178.7-67.6168.3000110.8Q207 A208 G215Q207-I211 HydrophobicContact CG-CD1 3.95Å; Q207-I211 VanDerWaalsContact O-CG1 3.3Å; Q207-I211 WeakPolarHBondContact O-CG1 3.47Å; Q207-I211 PolarHBondContact O-N 2.89Å; A208-I211 PolarHBondContact O-N 3.21Å; I211-G215 PolarHBondContact O-N 3.27Å
212S96.2Very high95.3Very high65 Ų6587 Ų8746%0.45550%0.497SS..Hα-helixtrans-63.4-46.6175.9-167.80000111.6A208 A209 I210 E214 G215 D216A208-S212 WeakPolarHBondContact O-CB 3.15Å; A208-S212 PolarHBondContact O-N 3.49Å; A209-S212 PolarHBondContact O-N 3.44Å; I210-S212 VanDerWaalsContact C-N 3.29Å; I210-S212 PolarHBondContact O-N 3.37Å; S212-E214 PolarHBondContact O-N 3.33Å; S212-G215 PolarHBondContact O-N 3.3Å; S212-D216 WeakPolarHBondContact O-CB 3.24Å; S212-D216 VanDerWaalsContact O-CG 3.26Å; S212-D216 PolarHBondContact O-N 3.03Å
213A95.6Very high94.8Very high57 Ų5789.4 Ų89.447%0.47150%0.501SS..Hα-helixtrans-65.5-38.4179.600000112.5A209 I210 D216 S217A209-A213 WeakPolarHBondContact O-CB 3.4Å; A209-A213 PolarHBondContact O-N 3.43Å; I210-A213 PolarHBondContact O-N 3.09Å; A213-D216 PolarHBondContact O-N 3.01Å; A213-S217 WeakPolarHBondContact O-CB 3.48Å; A213-S217 PolarHBondContact O-N 2.97Å
214E96.4Very high94.3Very high113 Ų11385.9 Ų85.953%0.52849%0.494SS..Hα-helixtrans-64.1-43172.1-73.7176.8176.900111.3I210 S212 S217 Q218I210-E214 HydrophobicContact CG2-CG 4.4Å; I210-E214 WeakPolarHBondContact O-CB 3.31Å; I210-E214 WeakPolarHBondContact O-CG 3.46Å; I210-E214 PolarHBondContact O-N 2.91Å; S212-E214 PolarHBondContact O-N 3.33Å; E214-S217 PolarHBondContact O-N 2.93Å; E214-Q218 WeakPolarHBondContact O-CB 3.42Å; E214-Q218 VanDerWaalsContact O-CG 3.3Å; E214-Q218 WeakPolarHBondContact O-CG 3.38Å; E214-Q218 PolarHBondContact O-N 3.42Å
215G96.7Very high93.8Very high34 Ų3484.3 Ų84.335%0.35149%0.489SS..Hα-helixtrans-60-46.3174.300000112.5I211 S212 Q218 A219I211-G215 PolarHBondContact O-N 3.27Å; S212-G215 PolarHBondContact O-N 3.3Å; G215-Q218 PolarHBondContact O-N 2.94Å; G215-A219 WeakPolarHBondContact O-CB 3.3Å; G215-A219 PolarHBondContact O-N 2.93Å
216D94.6Very high93.2Very high105 Ų10581.4 Ų81.456%0.56148%0.482SS*.Hα-helixtrans-64.3-40.5177.2-69.7-24.1000111.5S212 A213 A219 A220S212-D216 WeakPolarHBondContact O-CB 3.24Å; S212-D216 VanDerWaalsContact O-CG 3.26Å; S212-D216 PolarHBondContact O-N 3.03Å; A213-D216 PolarHBondContact O-N 3.01Å; D216-A219 PolarHBondContact O-N 3.01Å; D216-A220 VanDerWaalsContact O-CB 3.22Å; D216-A220 WeakPolarHBondContact O-CB 3.17Å; D216-A220 PolarHBondContact O-N 3.48Å
217S95.3Very high92.4Very high67 Ų6777.5 Ų77.547%0.46947%0.468SS..Hα-helixtrans-65.2-45.8176.2-179.50000111.8A213 E214 A220 L221A213-S217 WeakPolarHBondContact O-CB 3.48Å; A213-S217 PolarHBondContact O-N 2.97Å; E214-S217 PolarHBondContact O-N 2.93Å; S217-A220 PolarHBondContact O-N 3.24Å; S217-L221 VanDerWaalsContact O-CG 3.31Å; S217-L221 WeakPolarHBondContact O-CG 3.43Å; S217-L221 PolarHBondContact O-N 3.42Å
218Q94.5Very high91.6Very high124 Ų12480.5 Ų80.558%0.57948%0.482SS*.Hα-helixtrans-64.3-42.3176.2-72.5178.614.400111.5E214 G215 L221 L222E214-Q218 WeakPolarHBondContact O-CB 3.42Å; E214-Q218 VanDerWaalsContact O-CG 3.3Å; E214-Q218 WeakPolarHBondContact O-CG 3.38Å; E214-Q218 PolarHBondContact O-N 3.42Å; G215-Q218 PolarHBondContact O-N 2.94Å; Q218-L221 PolarHBondContact O-N 2.87Å; Q218-L222 WeakPolarHBondContact O-CG 3.37Å; Q218-L222 PolarHBondContact O-N 3.3Å
219A91.8Very high90.8Very high43 Ų4386.1 Ų86.136%0.35550%0.498SS..Hα-helixtrans-61.4-45.8174.800000111.4G215 D216 L221 L222 I223G215-A219 WeakPolarHBondContact O-CB 3.3Å; G215-A219 PolarHBondContact O-N 2.93Å; D216-A219 PolarHBondContact O-N 3.01Å; A219-L221 VanDerWaalsContact C-N 3.35Å; A219-L221 PolarHBondContact O-N 3.43Å; A219-L222 PolarHBondContact O-N 3.04Å; A219-I223 WeakPolarHBondContact O-CB 3.27Å; A219-I223 VanDerWaalsContact O-CG1 3.23Å; A219-I223 WeakPolarHBondContact O-CG1 3.44Å; A219-I223 PolarHBondContact O-N 2.85Å
220A90.6Very high89.8Confident57 Ų5786 Ų8647%0.47150%0.497SS..Hα-helixtrans-62-40.3177.200000112.3D216 S217 I223 A224D216-A220 VanDerWaalsContact O-CB 3.22Å; D216-A220 WeakPolarHBondContact O-CB 3.17Å; D216-A220 PolarHBondContact O-N 3.48Å; S217-A220 PolarHBondContact O-N 3.24Å; A220-I223 PolarHBondContact O-N 2.79Å; A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.27Å; A220-A224 PolarHBondContact O-N 2.85Å
221L92.1Very high88.7Confident101 Ų10184.5 Ų84.553%0.52950%0.498SS..Hα-helixtrans-64.1-43.9174.6-74.3168.4000111.9S217 Q218 A219 I223 A224 N225S217-L221 VanDerWaalsContact O-CG 3.31Å; S217-L221 WeakPolarHBondContact O-CG 3.43Å; S217-L221 PolarHBondContact O-N 3.42Å; Q218-L221 PolarHBondContact O-N 2.87Å; A219-L221 VanDerWaalsContact C-N 3.35Å; A219-L221 PolarHBondContact O-N 3.43Å; L221-I223 VanDerWaalsContact C-N 3.35Å; L221-A224 PolarHBondContact O-N 2.93Å; L221-N225 WeakPolarHBondContact O-CB 3.44Å; L221-N225 PolarHBondContact O-N 3.41Å; L221-N225 PolarHBondContact O-ND2 3.39Å
222L89.3Confident87.8Confident121 Ų12185.9 Ų85.963%0.63451%0.506SS*.Hα-helixtrans-63-42.2175.8-73.7168.7000111.6Q218 A219 N225 S226Q218-L222 WeakPolarHBondContact O-CG 3.37Å; Q218-L222 PolarHBondContact O-N 3.3Å; A219-L222 PolarHBondContact O-N 3.04Å; L222-N225 PolarHBondContact O-N 2.96Å; L222-S226 WeakPolarHBondContact O-CB 3.23Å; L222-S226 PolarHBondContact O-N 2.73Å; L222-S226 PolarHBondContact O-OG 2.93Å; L222-S226 VanDerWaalsContact O-OG 3.07Å
223I86.3Confident86.9Confident100 Ų10085.3 Ų85.351%0.51351%0.511SS..Hα-helixtrans-62.9-47175.2-69.2166.1000110.1A219 A220 L221 N225 S226 L227A219-I223 WeakPolarHBondContact O-CB 3.27Å; A219-I223 VanDerWaalsContact O-CG1 3.23Å; A219-I223 WeakPolarHBondContact O-CG1 3.44Å; A219-I223 PolarHBondContact O-N 2.85Å; A220-I223 PolarHBondContact O-N 2.79Å; L221-I223 VanDerWaalsContact C-N 3.35Å; I223-N225 PolarHBondContact O-N 3.23Å; I223-S226 WeakPolarHBondContact CA-OG 3.31Å; I223-S226 PolarHBondContact O-N 2.87Å; I223-S226 PolarHBondContact O-OG 2.82Å; I223-L227 HydrophobicContact CG2-CD1 3.66Å; I223-L227 VanDerWaalsContact O-CD1 3.27Å; I223-L227 WeakPolarHBondContact O-CD1 3.49Å; I223-L227 PolarHBondContact O-N 2.86Å
224A85.5Confident86.1Confident52 Ų5286 Ų8643%0.4351%0.507SS..Hα-helixtrans-60.2-45.1178.100000112.2A220 L221 L227 Q228A220-A224 VanDerWaalsContact O-CB 3.31Å; A220-A224 WeakPolarHBondContact O-CB 3.27Å; A220-A224 PolarHBondContact O-N 2.85Å; L221-A224 PolarHBondContact O-N 2.93Å; A224-L227 PolarHBondContact O-N 2.94Å; A224-Q228 WeakPolarHBondContact O-CB 3.21Å; A224-Q228 PolarHBondContact O-N 2.82Å
225N86.8Confident85.4Confident88 Ų8882.6 Ų82.647%0.47149%0.493SS..Hα-helixtrans-61.9-44.6176.1-69.6-21.8000111.5L221 L222 I223 Q228 E229L221-N225 WeakPolarHBondContact O-CB 3.44Å; L221-N225 PolarHBondContact O-N 3.41Å; L221-N225 PolarHBondContact O-ND2 3.39Å; L222-N225 PolarHBondContact O-N 2.96Å; I223-N225 PolarHBondContact O-N 3.23Å; N225-Q228 PolarHBondContact O-N 2.88Å; N225-E229 PolarHBondContact O-N 3Å
226S83.2Confident84.7Confident58 Ų5886.8 Ų86.841%0.40650%0.504SS..Hα-helixtrans-67.1-35.2178.261.90000113.3L222 I223 E229 A230L222-S226 WeakPolarHBondContact O-CB 3.23Å; L222-S226 PolarHBondContact O-N 2.73Å; L222-S226 PolarHBondContact O-OG 2.93Å; L222-S226 VanDerWaalsContact O-OG 3.07Å; I223-S226 WeakPolarHBondContact CA-OG 3.31Å; I223-S226 PolarHBondContact O-N 2.87Å; I223-S226 PolarHBondContact O-OG 2.82Å; S226-E229 PolarHBondContact O-N 2.85Å; S226-A230 VanDerWaalsContact O-CB 3.31Å; S226-A230 WeakPolarHBondContact O-CB 3.35Å; S226-A230 PolarHBondContact O-N 2.77Å
227L81.3Confident84.2Confident63 Ų6386.5 Ų86.533%0.3350%0.501SS..Hα-helixtrans-65.1-40.5170.9-99.883.4000112I223 A224 E229 A230 G231 V235I223-L227 HydrophobicContact CG2-CD1 3.66Å; I223-L227 VanDerWaalsContact O-CD1 3.27Å; I223-L227 WeakPolarHBondContact O-CD1 3.49Å; I223-L227 PolarHBondContact O-N 2.86Å; A224-L227 PolarHBondContact O-N 2.94Å; L227-E229 VanDerWaalsContact C-N 3.29Å; L227-E229 PolarHBondContact O-N 2.89Å; L227-A230 PolarHBondContact O-N 3.03Å; L227-G231 PolarHBondContact O-N 3.19Å; L227-V235 HydrophobicContact CD2-CG2 3.43Å; L227-V235 VanDerWaalsContact CD2-CG2 3.43Å; L227-V235 HydrophobicContact CG-CG2 4.26Å
228Q79.6Confident83.7Confident163 Ų16391 Ų9176%0.76251%0.508SS*.Hα-helixtrans-64.5-36178.8-168.6176.9-8.500111.6A224 N225A224-Q228 WeakPolarHBondContact O-CB 3.21Å; A224-Q228 PolarHBondContact O-N 2.82Å; N225-Q228 PolarHBondContact O-N 2.88Å
229E80.6Confident83.3Confident176 Ų17691.5 Ų91.582%0.82251%0.508SS*.Hα-helixtrans-72.3-40.7173.8-73-176.5167.500113.1N225 S226 L227N225-E229 PolarHBondContact O-N 3Å; S226-E229 PolarHBondContact O-N 2.85Å; L227-E229 VanDerWaalsContact C-N 3.29Å; L227-E229 PolarHBondContact O-N 2.89Å
230A75.8Confident83.2Confident57 Ų5795 Ų9547%0.47152%0.521SS..Hα-helixtrans-82.2-16.6-175.500000114.7S226 L227 L234S226-A230 VanDerWaalsContact O-CB 3.31Å; S226-A230 WeakPolarHBondContact O-CB 3.35Å; S226-A230 PolarHBondContact O-N 2.77Å; L227-A230 PolarHBondContact O-N 3.03Å; A230-L234 HydrophobicContact CB-CB 4.18Å; A230-L234 HydrophobicContact CB-CD1 3.53Å; A230-L234 HydrophobicContact CB-CG 4.46Å
231G74.2Confident83.2Confident35 Ų3596 Ų9636%0.36152%0.515SS..  trans76.9179.1178.500000114.9L227 G233 L234L227-G231 PolarHBondContact O-N 3.19Å; G231-G233 PolarHBondContact O-N 3.34Å; G231-G233 VanDerWaalsContact O-N 3.13Å; G231-L234 PolarHBondContact O-N 2.99Å
232D77.4Confident83.2Confident124 Ų12493.4 Ų93.466%0.66351%0.509SS*.Hα-helixtrans-64.2-20.6-170.7-155.124.7000114L234 V235 E236D232-L234 VanDerWaalsContact C-N 3.28Å; D232-L234 PolarHBondContact O-N 3.42Å; D232-V235 PolarHBondContact O-N 3.44Å; D232-E236 PolarHBondContact O-N 3.04Å
233G77.4Confident83.3Confident54 Ų5490.3 Ų90.356%0.55750%0.501SS*.Hα-helixtrans-62.9-30.2179.200000114G231 L237G231-G233 PolarHBondContact O-N 3.34Å; G231-G233 VanDerWaalsContact O-N 3.13Å; G233-L237 PolarHBondContact O-N 3Å; G233-L237 VanDerWaalsContact O-N 3.08Å
234L79.2Confident83.5Confident72 Ų7292.3 Ų92.338%0.37751%0.508SS..Hα-helixtrans-74.8-31.2179.6-151.8143.1000111.5A230 G231 D232 R238A230-L234 HydrophobicContact CB-CB 4.18Å; A230-L234 HydrophobicContact CB-CD1 3.53Å; A230-L234 HydrophobicContact CB-CG 4.46Å; G231-L234 PolarHBondContact O-N 2.99Å; D232-L234 VanDerWaalsContact C-N 3.28Å; D232-L234 PolarHBondContact O-N 3.42Å; L234-R238 HydrophobicContact CD2-CG 4.37Å; L234-R238 WeakPolarHBondContact O-CG 3.28Å; L234-R238 PolarHBondContact O-N 3.45Å; L234-R238 VanDerWaalsContact O-N 3.09Å
235V82.3Confident83.7Confident41 Ų4194.8 Ų94.825%0.24851%0.514CS..Hα-helixtrans-68.7-43.4174.1-179.90000110.7L227 D232 R238 K239L227-V235 HydrophobicContact CD2-CG2 3.43Å; L227-V235 VanDerWaalsContact CD2-CG2 3.43Å; L227-V235 HydrophobicContact CG-CG2 4.26Å; D232-V235 PolarHBondContact O-N 3.44Å; V235-R238 PolarHBondContact O-N 3.44Å; V235-K239 HydrophobicContact CG1-CD 4.46Å; V235-K239 WeakPolarHBondContact O-CG 3.45Å; V235-K239 PolarHBondContact O-N 3.17Å
236E82Confident83.8Confident121 Ų12195.4 Ų95.457%0.56552%0.516SS*.Hα-helixtrans-63.1-43.1175.8-71.8-139145.100112.4D232 R238 K239 L240D232-E236 PolarHBondContact O-N 3.04Å; E236-R238 VanDerWaalsContact C-N 3.34Å; E236-R238 PolarHBondContact O-N 2.97Å; E236-K239 WeakPolarHBondContact O-CB 3.3Å; E236-K239 PolarHBondContact O-N 3.32Å; E236-L240 PolarHBondContact O-N 2.92Å
237L83.4Confident83.9Confident99 Ų9995.2 Ų95.252%0.51852%0.519SS..Hα-helixtrans-59.4-44.9175.9-175.766000111.4G233 K239 L240 E241G233-L237 PolarHBondContact O-N 3Å; G233-L237 VanDerWaalsContact O-N 3.08Å; L237-K239 VanDerWaalsContact C-N 3.35Å; L237-K239 PolarHBondContact O-N 3.49Å; L237-L240 PolarHBondContact O-N 3.23Å; L237-E241 PolarHBondContact O-N 2.89Å
238R84.1Confident84.2Confident161 Ų16197 Ų9761%0.60852%0.524SS*.Hα-helixtrans-63.9-36.3175.9-73.7-60.3-164.2174.75.4113.2L234 V235 E236 L240 E241 A242L234-R238 HydrophobicContact CD2-CG 4.37Å; L234-R238 WeakPolarHBondContact O-CG 3.28Å; L234-R238 PolarHBondContact O-N 3.45Å; L234-R238 VanDerWaalsContact O-N 3.09Å; V235-R238 PolarHBondContact O-N 3.44Å; E236-R238 VanDerWaalsContact C-N 3.34Å; E236-R238 PolarHBondContact O-N 2.97Å; R238-L240 VanDerWaalsContact C-N 3.33Å; R238-E241 WeakPolarHBondContact CD-OE2 3.41Å; R238-E241 IonicContact CZ-OE2 3.74Å; R238-E241 IonicContact NE-OE2 3.89Å; R238-E241 IonicContact NH1-OE2 2.92Å; R238-E241 PolarHBondContact NH1-OE2 3.42Å; R238-A242 WeakPolarHBondContact O-CB 3.36Å; R238-A242 PolarHBondContact O-N 3Å
239K86.7Confident84.5Confident135 Ų13595.9 Ų95.959%0.58752%0.519SS*.Hα-helixtrans-63.8-40.3173.8-76.9174-179.4169.60111.5V235 E236 L237 A243V235-K239 HydrophobicContact CG1-CD 4.46Å; V235-K239 WeakPolarHBondContact O-CG 3.45Å; V235-K239 PolarHBondContact O-N 3.17Å; E236-K239 WeakPolarHBondContact O-CB 3.3Å; E236-K239 PolarHBondContact O-N 3.32Å; L237-K239 VanDerWaalsContact C-N 3.35Å; L237-K239 PolarHBondContact O-N 3.49Å; K239-A243 VanDerWaalsContact O-CB 3.31Å; K239-A243 WeakPolarHBondContact O-CB 3.35Å; K239-A243 PolarHBondContact O-N 2.92Å
240L90.3Very high84.6Confident117 Ų11791.2 Ų91.261%0.61350%0.499SS*.Hα-helixtrans-66.5-45.8176.6-73.5167.5000111.6E236 L237 R238 A242 A243 E244E236-L240 PolarHBondContact O-N 2.92Å; L237-L240 PolarHBondContact O-N 3.23Å; R238-L240 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 3.3Å; L240-A243 PolarHBondContact O-N 2.8Å; L240-E244 PolarHBondContact O-N 2.87Å
241E89.4Confident84.8Confident77 Ų7792.1 Ų92.136%0.3650%0.502SS..Hα-helixtrans-58.6-47.1175.1-73.6179.3173.200111.7L237 R238 A243 E244 D245L237-E241 PolarHBondContact O-N 2.89Å; R238-E241 WeakPolarHBondContact CD-OE2 3.41Å; R238-E241 IonicContact CZ-OE2 3.74Å; R238-E241 IonicContact NE-OE2 3.89Å; R238-E241 IonicContact NH1-OE2 2.92Å; R238-E241 PolarHBondContact NH1-OE2 3.42Å; E241-A243 VanDerWaalsContact C-N 3.32Å; E241-A243 PolarHBondContact O-N 3.5Å; E241-E244 WeakPolarHBondContact O-CB 3.42Å; E241-E244 PolarHBondContact O-N 2.95Å; E241-D245 PolarHBondContact O-N 2.83Å
242A93Very high85.1Confident48 Ų4899.2 Ų99.240%0.39752%0.517SS..Hα-helixtrans-63.6-38.1178.100000112.2R238 L240 D245 I246R238-A242 WeakPolarHBondContact O-CB 3.36Å; R238-A242 PolarHBondContact O-N 3Å; L240-A242 PolarHBondContact O-N 3.3Å; A242-D245 PolarHBondContact O-N 3.44Å; A242-I246 WeakPolarHBondContact O-CB 3.31Å; A242-I246 WeakPolarHBondContact O-CD1 3.43Å; A242-I246 WeakPolarHBondContact O-CG1 3.26Å; A242-I246 PolarHBondContact O-N 3.38Å
243A90.3Very high85.2Confident56 Ų5695.8 Ų95.846%0.46350%0.503SS..Hα-helixtrans-66-39.6175.200000111.9K239 L240 E241 A247K239-A243 VanDerWaalsContact O-CB 3.31Å; K239-A243 WeakPolarHBondContact O-CB 3.35Å; K239-A243 PolarHBondContact O-N 2.92Å; L240-A243 PolarHBondContact O-N 2.8Å; E241-A243 VanDerWaalsContact C-N 3.32Å; E241-A243 PolarHBondContact O-N 3.5Å; A243-A247 VanDerWaalsContact O-CB 3.27Å; A243-A247 WeakPolarHBondContact O-CB 3.43Å; A243-A247 PolarHBondContact O-N 2.87Å
244E91.5Very high84.7Confident141 Ų141105 Ų10566%0.65952%0.521SS*.Hα-helixtrans-61.7-47.9174.1-174.7178.6179.700111.2L240 E241 I246 A247 F248L240-E244 PolarHBondContact O-N 2.87Å; E241-E244 WeakPolarHBondContact O-CB 3.42Å; E241-E244 PolarHBondContact O-N 2.95Å; E244-I246 PolarHBondContact O-N 2.93Å; E244-A247 PolarHBondContact O-N 3.3Å; E244-F248 WeakPolarHBondContact O-CB 3.37Å; E244-F248 PolarHBondContact O-N 2.92Å
245D89.8Confident84.2Confident104 Ų104109 Ų10956%0.55654%0.543SS*.Hα-helixtrans-62.8-44.1178.9-89.7-12.8000112.4E241 A242 F248 Q249E241-D245 PolarHBondContact O-N 2.83Å; A242-D245 PolarHBondContact O-N 3.44Å; D245-F248 PolarHBondContact O-N 3.44Å; D245-Q249 WeakPolarHBondContact O-CG 3.2Å; D245-Q249 PolarHBondContact O-N 2.99Å
246I87.8Confident83.2Confident101 Ų101109.8 Ų109.852%0.51855%0.548SS..Hα-helixtrans-62-46.2175.6-69.2164.8000110.1A242 E244 F248 Q249 L250A242-I246 WeakPolarHBondContact O-CB 3.31Å; A242-I246 WeakPolarHBondContact O-CD1 3.43Å; A242-I246 WeakPolarHBondContact O-CG1 3.26Å; A242-I246 PolarHBondContact O-N 3.38Å; E244-I246 PolarHBondContact O-N 2.93Å; I246-F248 VanDerWaalsContact C-N 3.3Å; I246-F248 PolarHBondContact O-N 2.85Å; I246-Q249 PolarHBondContact O-N 2.9Å; I246-L250 HydrophobicContact CG2-CD1 3.67Å; I246-L250 HydrophobicContact CG2-CG 4.23Å; I246-L250 WeakPolarHBondContact O-CB 3.46Å; I246-L250 VanDerWaalsContact O-CG 3.25Å; I246-L250 WeakPolarHBondContact O-CG 3.46Å; I246-L250 PolarHBondContact O-N 3.12Å
247A86.6Confident82.2Confident55 Ų55109.9 Ų109.946%0.45556%0.557SS.*Hα-helixtrans-61-40.6177.400000111.6A243 E244 L250 S251A243-A247 VanDerWaalsContact O-CB 3.27Å; A243-A247 WeakPolarHBondContact O-CB 3.43Å; A243-A247 PolarHBondContact O-N 2.87Å; E244-A247 PolarHBondContact O-N 3.3Å; A247-L250 PolarHBondContact O-N 2.9Å; A247-S251 WeakPolarHBondContact O-CB 3.33Å; A247-S251 PolarHBondContact O-N 2.92Å
248F87.1Confident81.3Confident101 Ų101113.3 Ų113.344%0.44356%0.564SS.*Hα-helixtrans-64-46.6176.3-174.7-100.1000112.1E244 D245 I246 S251 R252E244-F248 WeakPolarHBondContact O-CB 3.37Å; E244-F248 PolarHBondContact O-N 2.92Å; D245-F248 PolarHBondContact O-N 3.44Å; I246-F248 VanDerWaalsContact C-N 3.3Å; I246-F248 PolarHBondContact O-N 2.85Å; F248-S251 PolarHBondContact O-N 3.4Å; F248-S251 PolarHBondContact O-OG 2.94Å; F248-R252 PolarHBondContact O-N 3.41Å
249Q86.2Confident80.4Confident139 Ų139111.1 Ų111.165%0.6556%0.564SS**Hα-helixtrans-63.8-42.1176.1-71.9-174.37.600112.3D245 I246 R252 S253D245-Q249 WeakPolarHBondContact O-CG 3.2Å; D245-Q249 PolarHBondContact O-N 2.99Å; I246-Q249 PolarHBondContact O-N 2.9Å; Q249-R252 PolarHBondContact O-N 3.33Å; Q249-S253 PolarHBondContact O-N 2.9Å; Q249-S253 VanDerWaalsContact O-N 3.15Å
250L81.6Confident79.2Confident78 Ų78109.1 Ų109.141%0.40857%0.565SS.*Hα-helixtrans-63.7-42.3176.9-73.7171000111.8I246 A247 R252 S253 V256I246-L250 HydrophobicContact CG2-CD1 3.67Å; I246-L250 HydrophobicContact CG2-CG 4.23Å; I246-L250 WeakPolarHBondContact O-CB 3.46Å; I246-L250 VanDerWaalsContact O-CG 3.25Å; I246-L250 WeakPolarHBondContact O-CG 3.46Å; I246-L250 PolarHBondContact O-N 3.12Å; A247-L250 PolarHBondContact O-N 2.9Å; L250-R252 PolarHBondContact O-N 3.49Å; L250-S253 PolarHBondContact O-N 2.94Å; L250-S253 VanDerWaalsContact O-N 3.1Å; L250-S253 PolarHBondContact O-OG 3.31Å; L250-V256 HydrophobicContact CD2-CG2 3.82Å
251S81.3Confident77.5Confident76 Ų76108.9 Ų108.953%0.53158%0.58SS.*Hα-helixtrans-60.8-27.3177.477.90000113.5A247 F248A247-S251 WeakPolarHBondContact O-CB 3.33Å; A247-S251 PolarHBondContact O-N 2.92Å; F248-S251 PolarHBondContact O-N 3.4Å; F248-S251 PolarHBondContact O-OG 2.94Å
252R79.6Confident76.3Confident183 Ų183109.4 Ų109.469%0.69161%0.605SS**Hα-helixtrans-89.1-18.7177.4-77-177.8168.9-168.1-2.3113.6F248 Q249 L250F248-R252 PolarHBondContact O-N 3.41Å; Q249-R252 PolarHBondContact O-N 3.33Å; L250-R252 PolarHBondContact O-N 3.49Å
253S79.8Confident74.6Confident52 Ų52114.3 Ų114.336%0.36462%0.62SS.*  trans-77.6130.6-179.274.30000111Q249 L250 N255 V256Q249-S253 PolarHBondContact O-N 2.9Å; Q249-S253 VanDerWaalsContact O-N 3.15Å; L250-S253 PolarHBondContact O-N 2.94Å; L250-S253 VanDerWaalsContact O-N 3.1Å; L250-S253 PolarHBondContact O-OG 3.31Å; S253-N255 VanDerWaalsContact C-N 3.26Å; S253-N255 PolarHBondContact O-N 2.71Å; S253-V256 WeakPolarHBondContact OG-CG2 3.37Å
254R66.9Low73.2Confident247 Ų247115.8 Ų115.893%0.93264%0.641SS**THydrogen-bonded Turntrans-73.9-7.3-172.4-71.8-179.1178.9175.7-0.8115.2
255N68.3Low71.8Confident156 Ų156113.3 Ų113.383%0.83464%0.635SS**THydrogen-bonded Turntrans-115.524.1-171.3-78.19.6000114.2S253S253-N255 VanDerWaalsContact C-N 3.26Å; S253-N255 PolarHBondContact O-N 2.71Å
256V62Low70.2Confident58 Ų58117.1 Ų117.135%0.35266%0.655SS.*  trans-100.9115.6178.8174.90000110.6L250 S253 Y258L250-V256 HydrophobicContact CD2-CG2 3.82Å; S253-V256 WeakPolarHBondContact OG-CG2 3.37Å; V256-Y258 HydrophobicContact CG1-CE2 4.15Å
257T61.2Low69Low123 Ų123118 Ų11876%0.75566%0.66SS**PPolyproline II helixtrans-102.6117.8173.8-54.30000108.9L259T257-L259 PolarHBondContact O-N 3.3Å
258Y63.9Low67.5Low172 Ų172124.4 Ų124.468%0.67568%0.68SS**PPolyproline II helixtrans-76.6118.3176.6-68.5-89.9000110.1V256 P260V256-Y258 HydrophobicContact CG1-CE2 4.15Å; Y258-P260 WeakPolarHBondContact O-CD 3.42Å
259L64.4Low66.1Low114 Ų114126.4 Ų126.460%0.59770%0.695SS**PPolyproline II helixtrans-93.5116173.2-68170.2000109.3T257 L267T257-L259 PolarHBondContact O-N 3.3Å; L259-L267 HydrophobicContact CD1-CD1 4.07Å
260P61.6Low64.5Low94 Ų94125.4 Ų125.461%0.6170%0.7SS**PPolyproline II helixtrans-69.5133.3174.326.4-30.9000110.5Y258 G262Y258-P260 WeakPolarHBondContact O-CD 3.42Å; P260-G262 PolarHBondContact O-N 3.46Å
261A56.2Low62.9Low112 Ų112134.5 Ų134.593%0.92674%0.741SS**THydrogen-bonded Turntrans-65.4125.1-179.800000110.9
262G62.4Low62Low87 Ų87137.4 Ų137.490%0.89775%0.751SS**THydrogen-bonded Turntrans120-3.9172.500000116.3P260P260-G262 PolarHBondContact O-N 3.46Å
263Q58.6Low61.1Low151 Ų151135 Ų13571%0.70675%0.754SS**  trans-115112.3177.1-140.7173.812.300110.6T265Q263-T265 PolarHBondContact O-N 3.49Å
264G61.4Low60.1Low87 Ų87139.6 Ų139.690%0.89778%0.776SS**  trans-71.198.4176.600000110.8
265T60.8Low59.7Low89 Ų89133.3 Ų133.355%0.54677%0.767SS.*  trans-100.1126.917138.80000110.3Q263 L267Q263-T265 PolarHBondContact O-N 3.49Å; T265-L267 PolarHBondContact O-N 3.08Å; T265-L267 VanDerWaalsContact O-N 3.15Å
266L56.9Low59.1Low184 Ų184131.9 Ų131.996%0.96376%0.763SS**  trans-73.898.3169.2-84.2160.4000108.6Q268L266-Q268 PolarHBondContact O-N 3.27Å
267L61.5Low58.9Low120 Ų120136.8 Ų136.863%0.62879%0.79SS**  trans-78.3106.4168.8-93.7149.6000108.9L259 T265 L269L259-L267 HydrophobicContact CD1-CD1 4.07Å; T265-L267 PolarHBondContact O-N 3.08Å; T265-L267 VanDerWaalsContact O-N 3.15Å; L267-L269 PolarHBondContact O-N 3.35Å
268Q56.1Low58.8Low189 Ų189137.8 Ų137.888%0.88379%0.793SS**  trans-80.294.6166.4-166.1166.2-3.700107.9L266L266-Q268 PolarHBondContact O-N 3.27Å
269L57.3Low58.4Low144 Ų144135.2 Ų135.275%0.75480%0.802SS**  trans-64.9132.9169.1-70.5164.3000108.5L267L267-L269 PolarHBondContact O-N 3.35Å
270P53.6Low57.9Low117 Ų117136.9 Ų136.976%0.7682%0.819SS**  trans-65.3137.5166.328.1-29.9000108.3
271Q48.1Very low57.5Low269 Ų269140.8 Ų140.8100%1.25784%0.838SS**  trans-640169.8-71.5-148.3-500111.2

Retrieved 271 of 271 residues in 52.2 ms (Link to these results)