A0A096MFD6_POEFO Loading...

Solute carrier family 9 member A5

AlphaFold DB , UniProt , Accession A0A096MFD6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 493 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
1A65.8Low82Confident82 Ų8280.1 Ų80.168%0.67848%0.48SS*.  0-96.3000000111.8G3 V4 V5A1-G3 PolarHBondContact O-N 3.48Å; A1-G3 VanDerWaalsContact O-N 3.13Å; A1-V4 WeakPolarHBondContact O-CB 3.29Å; A1-V4 PolarHBondContact O-N 3.49Å; A1-V5 PolarHBondContact O-N 2.98Å
2S77.9Confident82.1Confident107 Ų10779.3 Ų79.375%0.74847%0.472SS*.Hα-helixtrans-50.3-46.7-160.4-36.60000116.2V4 V5 G6S2-V4 PolarHBondContact O-N 3.41Å; S2-V5 PolarHBondContact O-N 3.48Å; S2-G6 PolarHBondContact O-N 2.67Å
3G83.4Confident81.9Confident50 Ų5089.4 Ų89.452%0.51550%0.497SS..Hα-helixtrans-61.5-38.3177.400000113.9A1 G6 Q7A1-G3 PolarHBondContact O-N 3.48Å; A1-G3 VanDerWaalsContact O-N 3.13Å; G3-G6 PolarHBondContact O-N 3.5Å; G3-Q7 WeakPolarHBondContact O-CB 3.47Å; G3-Q7 VanDerWaalsContact O-CG 3.3Å; G3-Q7 WeakPolarHBondContact O-CG 3.21Å; G3-Q7 PolarHBondContact O-N 3.04Å
4V84.9Confident81.7Confident32 Ų3295.4 Ų95.419%0.19452%0.515CS..Hα-helixtrans-68.7-38.3177.4179.80000111A1 S2 T8 M27A1-V4 WeakPolarHBondContact O-CB 3.29Å; A1-V4 PolarHBondContact O-N 3.49Å; S2-V4 PolarHBondContact O-N 3.41Å; V4-T8 WeakPolarHBondContact O-CB 3.14Å; V4-T8 PolarHBondContact O-N 3.27Å; V4-T8 PolarHBondContact O-OG1 3.03Å; V4-M27 HydrophobicContact CG1-CB 4.46Å; V4-M27 HydrophobicContact CG1-CG 4.18Å; V4-M27 HydrophobicContact CG1-SD 4.09Å
5V84Confident81.6Confident72 Ų7298.5 Ų98.544%0.43652%0.517SS..Hα-helixtrans-66.2-44.4175.1179.90000110.5A1 S2 T8 W9A1-V5 PolarHBondContact O-N 2.98Å; S2-V5 PolarHBondContact O-N 3.48Å; V5-T8 PolarHBondContact O-N 3.4Å; V5-W9 WeakPolarHBondContact O-CB 3.37Å; V5-W9 PolarHBondContact O-N 2.93Å
6G85.8Confident80.6Confident38 Ų38103.4 Ų103.439%0.39254%0.542SS..Hα-helixtrans-63.9-46.8176.600000113.2S2 G3 W9 V10S2-G6 PolarHBondContact O-N 2.67Å; G3-G6 PolarHBondContact O-N 3.5Å; G6-W9 PolarHBondContact O-N 3.37Å; G6-V10 PolarHBondContact O-N 2.91Å
7Q83.4Confident80.1Confident132 Ų132103.6 Ų103.662%0.61755%0.548SS*.Hα-helixtrans-61.9-44.1174.5-74.8172.6-3100111.4G3 W9 V10 L11G3-Q7 WeakPolarHBondContact O-CB 3.47Å; G3-Q7 VanDerWaalsContact O-CG 3.3Å; G3-Q7 WeakPolarHBondContact O-CG 3.21Å; G3-Q7 PolarHBondContact O-N 3.04Å; Q7-W9 VanDerWaalsContact C-N 3.33Å; Q7-W9 PolarHBondContact O-N 3.07Å; Q7-V10 PolarHBondContact O-N 3.34Å; Q7-L11 VanDerWaalsContact O-CD1 3.32Å; Q7-L11 WeakPolarHBondContact O-CD1 3.31Å; Q7-L11 PolarHBondContact O-N 3.23Å
8T85.5Confident79.8Confident6 Ų6102.7 Ų102.74%0.03755%0.55CS..Hα-helixtrans-66.2-35.5178.4-57.70000111.4V4 V5 V10 L11 N12 L19 Q24V4-T8 WeakPolarHBondContact O-CB 3.14Å; V4-T8 PolarHBondContact O-N 3.27Å; V4-T8 PolarHBondContact O-OG1 3.03Å; V5-T8 PolarHBondContact O-N 3.4Å; T8-V10 VanDerWaalsContact C-N 3.35Å; T8-V10 PolarHBondContact O-N 3.47Å; T8-L11 PolarHBondContact O-N 3.45Å; T8-N12 WeakPolarHBondContact O-CB 3.29Å; T8-N12 PolarHBondContact O-N 2.95Å; T8-L19 HydrophobicContact CG2-CB 3.73Å; T8-L19 HydrophobicContact CG2-CD1 3.87Å; T8-L19 HydrophobicContact CG2-CG 4.46Å; T8-Q24 HydrophobicContact CG2-CG 3.71Å
9W84.3Confident79.6Confident198 Ų19899.3 Ų99.375%0.7553%0.531SS*.Hα-helixtrans-60-42.7173.1-179.286.5000112.2V5 G6 Q7 R13V5-W9 WeakPolarHBondContact O-CB 3.37Å; V5-W9 PolarHBondContact O-N 2.93Å; G6-W9 PolarHBondContact O-N 3.37Å; Q7-W9 VanDerWaalsContact C-N 3.33Å; Q7-W9 PolarHBondContact O-N 3.07Å; W9-R13 PolarHBondContact O-N 3.37Å
10V85.7Confident79.6Confident71 Ų7198.5 Ų98.543%0.4353%0.527SS..Hα-helixtrans-66.2-49.1174.1178.80000111.4G6 Q7 T8 N12 R13 F14G6-V10 PolarHBondContact O-N 2.91Å; Q7-V10 PolarHBondContact O-N 3.34Å; T8-V10 VanDerWaalsContact C-N 3.35Å; T8-V10 PolarHBondContact O-N 3.47Å; V10-N12 VanDerWaalsContact C-N 3.28Å; V10-N12 PolarHBondContact O-N 3.17Å; V10-R13 VanDerWaalsContact O-CB 3.29Å; V10-R13 WeakPolarHBondContact O-CB 3.49Å; V10-R13 PolarHBondContact O-N 2.97Å; V10-F14 WeakPolarHBondContact O-CD2 3.41Å
11L81.9Confident79.5Confident93 Ų93101.6 Ų101.649%0.48754%0.535SS..Hα-helixtrans-62.1-35.4179.2-92.467.3000112.3Q7 T8 R13 F14 R15Q7-L11 VanDerWaalsContact O-CD1 3.32Å; Q7-L11 WeakPolarHBondContact O-CD1 3.31Å; Q7-L11 PolarHBondContact O-N 3.23Å; T8-L11 PolarHBondContact O-N 3.45Å; L11-R13 PolarHBondContact O-N 3.42Å; L11-F14 PolarHBondContact O-N 2.89Å; L11-F14 VanDerWaalsContact O-N 3.07Å; L11-R15 PolarHBondContact O-N 3.05Å
12N82.4Confident80Confident70 Ų70101.2 Ų101.237%0.37452%0.521SS..THydrogen-bonded Turntrans-70.3-10.2176.5-166.542.8000113.3T8 V10 F14 P18T8-N12 WeakPolarHBondContact O-CB 3.29Å; T8-N12 PolarHBondContact O-N 2.95Å; V10-N12 VanDerWaalsContact C-N 3.28Å; V10-N12 PolarHBondContact O-N 3.17Å; N12-F14 VanDerWaalsContact C-N 3.34Å; N12-P18 WeakPolarHBondContact OD1-CA 3.44Å; N12-P18 WeakPolarHBondContact OD1-CB 3.32Å
13R80.4Confident80.1Confident211 Ų211100 Ų10080%0.79651%0.507SS*.THydrogen-bonded Turntrans-79.8-18.3169.4-166.159.6178.6-177.63.3112.8W9 V10 L11W9-R13 PolarHBondContact O-N 3.37Å; V10-R13 VanDerWaalsContact O-CB 3.29Å; V10-R13 WeakPolarHBondContact O-CB 3.49Å; V10-R13 PolarHBondContact O-N 2.97Å; L11-R13 PolarHBondContact O-N 3.42Å
14F78.9Confident80Confident173 Ų17399.1 Ų99.176%0.75949%0.489SS*.THydrogen-bonded Turntrans-120.5-14.4-175.7-62.6-78.2000114.5V10 L11 N12V10-F14 WeakPolarHBondContact O-CD2 3.41Å; L11-F14 PolarHBondContact O-N 2.89Å; L11-F14 VanDerWaalsContact O-N 3.07Å; N12-F14 VanDerWaalsContact C-N 3.34Å
15R79.8Confident79.7Confident143 Ų143100.7 Ų100.754%0.5450%0.499SS..  trans-84.3140.8172-91.5-171.2167.4-164.1-2.6112L11L11-R15 PolarHBondContact O-N 3.05Å
16L65.2Low79.5Confident176 Ų17699.1 Ų99.192%0.92149%0.489SS*.SBendtrans-74.3-23.4168.4-73.789.7000113.4
17V73.4Confident79.3Confident107 Ų107102.4 Ų102.465%0.64850%0.495SS*.SBendtrans-110.4112.8178.8-177.40000109.4
18P74.2Confident79.1Confident88 Ų8897.9 Ų97.957%0.57148%0.479SS*.PPolyproline II helixtrans-72.5139.8-179.829.3-34.6000112.2N12N12-P18 WeakPolarHBondContact OD1-CA 3.44Å; N12-P18 WeakPolarHBondContact OD1-CB 3.32Å
19L76.2Confident78.9Confident37 Ų37101 Ų10119%0.19449%0.49CS..PPolyproline II helixtrans-81.8119.8171.8-82.7159.7000109.6T8 D23 Q24T8-L19 HydrophobicContact CG2-CB 3.73Å; T8-L19 HydrophobicContact CG2-CD1 3.87Å; T8-L19 HydrophobicContact CG2-CG 4.46Å; L19-D23 HydrophobicContact CD2-CB 4.24Å; L19-Q24 PolarHBondContact O-NE2 3Å
20D78.8Confident78.5Confident83 Ų8393.8 Ų93.844%0.44448%0.478SS..PPolyproline II helixtrans-67.5158.1-178.4-172.328.6000112I22 D23 Q24D20-I22 PolarHBondContact O-N 3.37Å; D20-I22 WeakPolarHBondContact OD2-CB 3.36Å; D20-I22 WeakPolarHBondContact OD2-CD1 3.5Å; D20-I22 WeakPolarHBondContact OD2-CG1 3.32Å; D20-D23 PolarHBondContact O-N 2.89Å; D20-D23 VanDerWaalsContact O-N 3.13Å; D20-Q24 WeakPolarHBondContact O-CG 3.18Å; D20-Q24 PolarHBondContact O-N 3.12Å
21K77.7Confident78Confident164 Ų16492.3 Ų92.371%0.71348%0.476SS*.Hα-helixtrans-59.3-31.8176.6-61.9177.6-176.1174.90111.5V25K21-V25 WeakPolarHBondContact O-CG2 3.47Å; K21-V25 PolarHBondContact O-N 3.2Å
22I77.3Confident77.3Confident74 Ų7495.9 Ų95.938%0.37950%0.495SS..Hα-helixtrans-60.2-54.7172.8-65.7178.6000109.8D20 Q24 V25 V26 L81D20-I22 PolarHBondContact O-N 3.37Å; D20-I22 WeakPolarHBondContact OD2-CB 3.36Å; D20-I22 WeakPolarHBondContact OD2-CD1 3.5Å; D20-I22 WeakPolarHBondContact OD2-CG1 3.32Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 3.41Å; I22-V25 PolarHBondContact O-N 2.85Å; I22-V26 WeakPolarHBondContact O-CG2 3.43Å; I22-V26 PolarHBondContact O-N 3.32Å; I22-L81 HydrophobicContact CB-CD2 4.23Å; I22-L81 HydrophobicContact CG1-CG 4.45Å; I22-L81 HydrophobicContact CG2-CB 4.26Å; I22-L81 HydrophobicContact CG2-CD2 3.77Å; I22-L81 HydrophobicContact CG2-CG 3.97Å; I22-L81 VanDerWaalsContact O-CD2 3.32Å; I22-L81 WeakPolarHBondContact O-CD2 3.4Å
23D78.7Confident76.6Confident83 Ų83100 Ų10044%0.44451%0.506SS..Hα-helixtrans-64-37.7179.7-63.8-30.9000112.2L19 D20 V25 V26 M27L19-D23 HydrophobicContact CD2-CB 4.24Å; D20-D23 PolarHBondContact O-N 2.89Å; D20-D23 VanDerWaalsContact O-N 3.13Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 PolarHBondContact O-N 2.86Å; D23-V26 PolarHBondContact O-N 2.84Å; D23-M27 WeakPolarHBondContact O-CB 3.48Å; D23-M27 PolarHBondContact O-N 3.28Å
24Q81.8Confident76.2Confident31 Ų3190.9 Ų90.915%0.14548%0.478CS..Hα-helixtrans-61.5-40.2174.7-71.6175.64600112.3T8 L19 D20 I22 S28T8-Q24 HydrophobicContact CG2-CG 3.71Å; L19-Q24 PolarHBondContact O-NE2 3Å; D20-Q24 WeakPolarHBondContact O-CG 3.18Å; D20-Q24 PolarHBondContact O-N 3.12Å; I22-Q24 VanDerWaalsContact C-N 3.34Å; I22-Q24 PolarHBondContact O-N 3.41Å; Q24-S28 WeakPolarHBondContact O-CB 3.36Å; Q24-S28 PolarHBondContact O-N 3.43Å; Q24-S28 PolarHBondContact O-OG 3.04Å
25V78.9Confident76.3Confident65 Ų6586.4 Ų86.439%0.39447%0.472SS..Hα-helixtrans-66.1-49.3175.8165.50000110.3K21 I22 D23 M27 S28 Y29 L81K21-V25 WeakPolarHBondContact O-CG2 3.47Å; K21-V25 PolarHBondContact O-N 3.2Å; I22-V25 PolarHBondContact O-N 2.85Å; D23-V25 VanDerWaalsContact C-N 3.34Å; D23-V25 PolarHBondContact O-N 2.86Å; V25-M27 PolarHBondContact O-N 3.1Å; V25-S28 CarbonylContact O-C 3.59Å; V25-S28 PolarHBondContact O-N 2.85Å; V25-S28 VanDerWaalsContact O-N 3.16Å; V25-S28 PolarHBondContact O-OG 3.4Å; V25-Y29 WeakPolarHBondContact O-CB 3.16Å; V25-Y29 PolarHBondContact O-N 2.78Å; V25-L81 HydrophobicContact CB-CD2 3.83Å; V25-L81 HydrophobicContact CG1-CD1 4.41Å; V25-L81 HydrophobicContact CG1-CD2 3.68Å
26V80.1Confident76.7Confident39 Ų3985 Ų8524%0.23648%0.479CS..Hα-helixtrans-59-48.2177.5176.40000111.3I22 D23 S28 Y29 G30 I74 V78 L81I22-V26 WeakPolarHBondContact O-CG2 3.43Å; I22-V26 PolarHBondContact O-N 3.32Å; D23-V26 PolarHBondContact O-N 2.84Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 2.87Å; V26-Y29 PolarHBondContact O-N 2.94Å; V26-G30 PolarHBondContact O-N 3.27Å; V26-I74 HydrophobicContact CG1-CD1 4.36Å; V26-V78 HydrophobicContact CG1-CG2 3.99Å; V26-V78 HydrophobicContact CG2-CG2 4.1Å; V26-L81 HydrophobicContact CG2-CD2 3.79Å
27M80.3Confident77.6Confident106 Ų10678.9 Ų78.952%0.52245%0.454SS..Hα-helixtrans-60-38.8176.4-177.2-179.3-72.600111.8V4 D23 V25 Y29V4-M27 HydrophobicContact CG1-CB 4.46Å; V4-M27 HydrophobicContact CG1-CG 4.18Å; V4-M27 HydrophobicContact CG1-SD 4.09Å; D23-M27 WeakPolarHBondContact O-CB 3.48Å; D23-M27 PolarHBondContact O-N 3.28Å; V25-M27 PolarHBondContact O-N 3.1Å; M27-Y29 PolarHBondContact O-N 3.42Å
28S80.4Confident78.2Confident38 Ų3878.1 Ų78.127%0.26644%0.442SS..Hα-helixtrans-75.5-11.7177.488.70000114.5Q24 V25 V26Q24-S28 WeakPolarHBondContact O-CB 3.36Å; Q24-S28 PolarHBondContact O-N 3.43Å; Q24-S28 PolarHBondContact O-OG 3.04Å; V25-S28 CarbonylContact O-C 3.59Å; V25-S28 PolarHBondContact O-N 2.85Å; V25-S28 VanDerWaalsContact O-N 3.16Å; V25-S28 PolarHBondContact O-OG 3.4Å; V26-S28 VanDerWaalsContact C-N 3.29Å; V26-S28 PolarHBondContact O-N 2.87Å
29Y81.3Confident78.8Confident70 Ų7076 Ų7628%0.27543%0.433SS..Hα-helixtrans-100.7-38.7177.7-160.4-96.1000112.7V25 V26 M27 G31 Q70 T73 I74 L77V25-Y29 WeakPolarHBondContact O-CB 3.16Å; V25-Y29 PolarHBondContact O-N 2.78Å; V26-Y29 PolarHBondContact O-N 2.94Å; M27-Y29 PolarHBondContact O-N 3.42Å; Y29-G31 PolarHBondContact O-N 3.13Å; Y29-Q70 HydrophobicContact CE1-CB 3.97Å; Y29-Q70 HydrophobicContact CE1-CG 3.99Å; Y29-Q70 PolarHBondContact O-NE2 2.94Å; Y29-T73 WeakPolarHBondContact CE1-OG1 3.33Å; Y29-T73 PolarHBondContact OH-OG1 3.01Å; Y29-I74 HydrophobicContact CD1-CD1 4.05Å; Y29-L77 HydrophobicContact CD1-CD2 3.5Å; Y29-L77 HydrophobicContact CD2-CD2 3.87Å; Y29-L77 HydrophobicContact CE1-CD2 3.92Å; Y29-L77 HydrophobicContact CE2-CD2 4.27Å; Y29-L77 HydrophobicContact CG-CD2 3.49Å; Y29-L77 VanDerWaalsContact CG-CD2 3.49Å
30G75.9Confident79.3Confident48 Ų4879.8 Ų79.850%0.49545%0.452SS..  trans-77.68.7-179.200000115.5V26 L32V26-G30 PolarHBondContact O-N 3.27Å; G30-L32 PolarHBondContact O-N 3.24Å; G30-L32 VanDerWaalsContact O-N 3.12Å
31G73.6Confident79.7Confident39 Ų3976.5 Ų76.540%0.40244%0.435SS..  trans-66.1108.7173.600000111Y29 R33 Q70Y29-G31 PolarHBondContact O-N 3.13Å; G31-R33 WeakPolarHBondContact O-CG 3.04Å; G31-R33 PolarHBondContact O-N 3.42Å; G31-Q70 PolarHBondContact O-NE2 3.27Å
32L67.6Low80Confident169 Ų16972 Ų7289%0.88542%0.421SS*.  trans-53.9102.9174.7-78.9163.5000110.2G30G30-L32 PolarHBondContact O-N 3.24Å; G30-L32 VanDerWaalsContact O-N 3.12Å
33R69.1Low80.3Confident156 Ų15675.3 Ų75.359%0.58944%0.439SS*.  trans-79.9133-173.6-75.5-159.8171.2-144.8-4.5111.9G31 Q70G31-R33 WeakPolarHBondContact O-CG 3.04Å; G31-R33 PolarHBondContact O-N 3.42Å; R33-Q70 VanDerWaalsContact CD-OE1 3.26Å
34G70.9Confident80.5Confident20 Ų2074.8 Ų74.821%0.20644%0.436CS..SBendtrans94.9-7.3148.800000118V36 A37 F38G34-V36 VanDerWaalsContact C-N 3.28Å; G34-V36 PolarHBondContact O-N 2.72Å; G34-A37 PolarHBondContact O-N 2.91Å; G34-F38 WeakPolarHBondContact O-CB 3.17Å; G34-F38 PolarHBondContact O-N 3.29Å
35A81.5Confident80.3Confident79 Ų7978.1 Ų78.165%0.65346%0.455SS*.Hα-helixtrans-55.1-44.1175.500000112.3A39A35-A39 PolarHBondContact O-N 3.31Å
36V87.2Confident79.8Confident112 Ų11277.8 Ų77.868%0.67946%0.459SS*.Hα-helixtrans-69.6-37.8174.7-177.70000112G34 A39 L40G34-V36 VanDerWaalsContact C-N 3.28Å; G34-V36 PolarHBondContact O-N 2.72Å; V36-A39 PolarHBondContact O-N 2.78Å; V36-L40 HydrophobicContact CG1-CD1 4.16Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.24Å; V36-L40 PolarHBondContact O-N 2.68Å
37A85.5Confident79.1Confident48 Ų4884.7 Ų84.740%0.39749%0.488SS..Hα-helixtrans-67.6-37.9178.400000112.1G34 L40 V41G34-A37 PolarHBondContact O-N 2.91Å; A37-L40 PolarHBondContact O-N 3.01Å; A37-V41 PolarHBondContact O-N 2.98Å
38F86.3Confident78.3Confident91 Ų9187.9 Ų87.940%0.39950%0.502SS..Hα-helixtrans-65.8-44.6173178.9-105.2000111.3G34 L40 V41 V42 I60G34-F38 WeakPolarHBondContact O-CB 3.17Å; G34-F38 PolarHBondContact O-N 3.29Å; F38-L40 VanDerWaalsContact C-N 3.33Å; F38-L40 PolarHBondContact O-N 2.89Å; F38-V41 HydrophobicContact CD2-CG1 4.47Å; F38-V41 WeakPolarHBondContact O-CG1 3.3Å; F38-V41 PolarHBondContact O-N 3.42Å; F38-V42 HydrophobicContact CD1-CG2 4.45Å; F38-V42 HydrophobicContact CD2-CG2 4.28Å; F38-V42 HydrophobicContact CE1-CG2 4.06Å; F38-V42 HydrophobicContact CE2-CG2 3.87Å; F38-V42 HydrophobicContact CZ-CG2 3.75Å; F38-V42 WeakPolarHBondContact O-CB 3.35Å; F38-V42 WeakPolarHBondContact O-CG2 3.36Å; F38-V42 PolarHBondContact O-N 2.85Å; F38-I60 HydrophobicContact CD2-CG1 4.07Å; F38-I60 HydrophobicContact CE2-CD1 4.07Å; F38-I60 HydrophobicContact CE2-CG1 3.71Å
39A86.5Confident77.6Confident45 Ų4588.4 Ų88.437%0.37250%0.503SS..Hα-helixtrans-57.5-45.5173.100000111.7A35 V36 V42 L43A35-A39 PolarHBondContact O-N 3.31Å; V36-A39 PolarHBondContact O-N 2.78Å; A39-V42 PolarHBondContact O-N 2.85Å; A39-L43 VanDerWaalsContact O-CB 3.31Å; A39-L43 WeakPolarHBondContact O-CB 3.46Å; A39-L43 WeakPolarHBondContact O-CD1 3.34Å; A39-L43 WeakPolarHBondContact O-CG 3.26Å; A39-L43 PolarHBondContact O-N 3.17Å
40L85.7Confident76.9Confident115 Ų11596.7 Ų96.760%0.60253%0.534SS*.Hα-helixtrans-63.4-39.8177.4-71.4169.5000113.2V36 A37 F38 L43 L44V36-L40 HydrophobicContact CG1-CD1 4.16Å; V36-L40 VanDerWaalsContact O-CG 3.29Å; V36-L40 WeakPolarHBondContact O-CG 3.24Å; V36-L40 PolarHBondContact O-N 2.68Å; A37-L40 PolarHBondContact O-N 3.01Å; F38-L40 VanDerWaalsContact C-N 3.33Å; F38-L40 PolarHBondContact O-N 2.89Å; L40-L43 PolarHBondContact O-N 2.7Å; L40-L44 PolarHBondContact O-N 3.13Å
41V86.8Confident76.7Confident14 Ų1496.2 Ų96.29%0.08553%0.525CS..Hα-helixtrans-75.3-28.118087.20000112.9A37 F38 K52 F55 V56 T59A37-V41 PolarHBondContact O-N 2.98Å; F38-V41 HydrophobicContact CD2-CG1 4.47Å; F38-V41 WeakPolarHBondContact O-CG1 3.3Å; F38-V41 PolarHBondContact O-N 3.42Å; V41-K52 WeakPolarHBondContact O-CE 3.21Å; V41-F55 HydrophobicContact CG2-CB 3.73Å; V41-V56 HydrophobicContact CG1-CG2 4.17Å; V41-V56 HydrophobicContact CG2-CG2 4.19Å; V41-T59 HydrophobicContact CG1-CG2 3.94Å
42V83.9Confident76.9Confident69 Ų6996.1 Ų96.142%0.41851%0.514SS..Hα-helixtrans-72.4-40.7172171.30000110.9F38 A39 L44 K52F38-V42 HydrophobicContact CD1-CG2 4.45Å; F38-V42 HydrophobicContact CD2-CG2 4.28Å; F38-V42 HydrophobicContact CE1-CG2 4.06Å; F38-V42 HydrophobicContact CE2-CG2 3.87Å; F38-V42 HydrophobicContact CZ-CG2 3.75Å; F38-V42 WeakPolarHBondContact O-CB 3.35Å; F38-V42 WeakPolarHBondContact O-CG2 3.36Å; F38-V42 PolarHBondContact O-N 2.85Å; A39-V42 PolarHBondContact O-N 2.85Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.05Å; V42-K52 PolarHBondContact O-NZ 3.36Å
43L85.1Confident77.5Confident144 Ų14493.9 Ų93.975%0.75450%0.503SS*.Hα-helixtrans-73.9-14.9177.2-71.9169.4000114.5A39 L40 D45A39-L43 VanDerWaalsContact O-CB 3.31Å; A39-L43 WeakPolarHBondContact O-CB 3.46Å; A39-L43 WeakPolarHBondContact O-CD1 3.34Å; A39-L43 WeakPolarHBondContact O-CG 3.26Å; A39-L43 PolarHBondContact O-N 3.17Å; L40-L43 PolarHBondContact O-N 2.7Å; L43-D45 PolarHBondContact O-N 3.12Å
44L82.5Confident78.4Confident72 Ų7294.9 Ų94.938%0.37751%0.508SS..SBendtrans-60133.8174.4-177.264.4000110.2L40 V42 K52L40-L44 PolarHBondContact O-N 3.13Å; V42-L44 VanDerWaalsContact C-N 3.32Å; V42-L44 PolarHBondContact O-N 3.05Å; L44-K52 WeakPolarHBondContact O-CD 3.24Å; L44-K52 WeakPolarHBondContact O-CE 3.4Å; L44-K52 PolarHBondContact O-NZ 3.44Å
45D77.4Confident79Confident102 Ų10299.5 Ų99.555%0.54552%0.523SS..  trans-71.6142.7-173.3-146-30.9000112.7L43L43-D45 PolarHBondContact O-N 3.12Å
46A68.3Low79.3Confident58 Ų5897.1 Ų97.148%0.47950%0.5SS..THydrogen-bonded Turntrans-81.3-32.3-174.800000112.6K52A46-K52 HydrophobicContact CB-CD 4.16Å
47E64.9Low79.4Confident183 Ų18394.2 Ų94.286%0.85549%0.487SS*.THydrogen-bonded Turntrans-71.7-34.1-176.1-64.3-164.2143.100113.1
48Q64.8Low79.6Confident173 Ų17396 Ų9681%0.80849%0.494SS*.THydrogen-bonded Turntrans-77.8-24.1-179.5-67.3-167.511.200113.8
49V65.1Low79.7Confident49 Ų4993.1 Ų93.130%0.29748%0.483SS..  trans-136.391-171.9-172.10000111A51 K52V49-A51 HydrophobicContact CG1-CB 4.14Å; V49-A51 PolarHBondContact O-N 2.89Å; V49-K52 WeakPolarHBondContact O-CB 3.43Å; V49-K52 PolarHBondContact O-N 3.02Å
50R65.5Low79.8Confident245 Ų24594.9 Ų94.993%0.92549%0.486SS*.THydrogen-bonded Turntrans-57.7-6.7172.6-71.1179.562.9131.4-1.6115
51A72.6Confident80Confident37 Ų3794.1 Ų94.131%0.30649%0.486SS..THydrogen-bonded Turntrans-99.47.1173.700000113.9V49 D53 Y54 F55V49-A51 HydrophobicContact CG1-CB 4.14Å; V49-A51 PolarHBondContact O-N 2.89Å; A51-D53 VanDerWaalsContact C-N 3.25Å; A51-D53 PolarHBondContact O-N 2.92Å; A51-Y54 HydrophobicContact CB-CD2 4.16Å; A51-Y54 PolarHBondContact O-N 3.4Å; A51-Y54 VanDerWaalsContact O-N 3.12Å; A51-F55 WeakPolarHBondContact O-CD2 3.31Å; A51-F55 PolarHBondContact O-N 2.95Å
52K77.8Confident80.1Confident38 Ų3897 Ų9717%0.16550%0.503CS..Hα-helixtrans-49.9-44.5-177.5177.3178.3175.6175.10112.4V41 V42 L44 A46 V49 Y54 F55 V56V41-K52 WeakPolarHBondContact O-CE 3.21Å; V42-K52 PolarHBondContact O-NZ 3.36Å; L44-K52 WeakPolarHBondContact O-CD 3.24Å; L44-K52 WeakPolarHBondContact O-CE 3.4Å; L44-K52 PolarHBondContact O-NZ 3.44Å; A46-K52 HydrophobicContact CB-CD 4.16Å; V49-K52 WeakPolarHBondContact O-CB 3.43Å; V49-K52 PolarHBondContact O-N 3.02Å; K52-Y54 VanDerWaalsContact C-N 3.29Å; K52-Y54 PolarHBondContact O-N 3.23Å; K52-F55 CarbonylContact O-C 3.58Å; K52-F55 WeakPolarHBondContact O-CA 3.23Å; K52-F55 WeakPolarHBondContact O-CB 3.32Å; K52-F55 PolarHBondContact O-N 2.97Å; K52-V56 HydrophobicContact CG-CG2 3.99Å; K52-V56 WeakPolarHBondContact O-CG2 3.38Å; K52-V56 PolarHBondContact O-N 3.16Å
53D80.6Confident80.4Confident121 Ų12195.4 Ų95.465%0.64749%0.493SS*.Hα-helixtrans-64.7-32.7-175-58.2-39.8000112.7A51 V56 A57A51-D53 VanDerWaalsContact C-N 3.25Å; A51-D53 PolarHBondContact O-N 2.92Å; D53-V56 PolarHBondContact O-N 2.68Å; D53-A57 VanDerWaalsContact O-CB 3.24Å; D53-A57 WeakPolarHBondContact O-CB 3.46Å; D53-A57 PolarHBondContact O-N 3.41Å
54Y86.9Confident80.5Confident177 Ų17795.2 Ų95.269%0.69449%0.487SS*.Hα-helixtrans-66.2-41.4171.3-58.8-68000111.5A51 K52 T58A51-Y54 HydrophobicContact CB-CD2 4.16Å; A51-Y54 PolarHBondContact O-N 3.4Å; A51-Y54 VanDerWaalsContact O-N 3.12Å; K52-Y54 VanDerWaalsContact C-N 3.29Å; K52-Y54 PolarHBondContact O-N 3.23Å; Y54-T58 VanDerWaalsContact O-CB 3.26Å; Y54-T58 WeakPolarHBondContact O-CB 3.27Å; Y54-T58 PolarHBondContact O-N 3.38Å; Y54-T58 PolarHBondContact O-OG1 3.12Å
55F84.6Confident80.6Confident118 Ų11897.3 Ų97.352%0.51849%0.493SS..Hα-helixtrans-64.5-41.3174-77.6-78.1000112.3V41 A51 K52 T59V41-F55 HydrophobicContact CG2-CB 3.73Å; A51-F55 WeakPolarHBondContact O-CD2 3.31Å; A51-F55 PolarHBondContact O-N 2.95Å; K52-F55 CarbonylContact O-C 3.58Å; K52-F55 WeakPolarHBondContact O-CA 3.23Å; K52-F55 WeakPolarHBondContact O-CB 3.32Å; K52-F55 PolarHBondContact O-N 2.97Å; F55-T59 VanDerWaalsContact O-CB 3.24Å; F55-T59 WeakPolarHBondContact O-CB 3.26Å; F55-T59 PolarHBondContact O-N 3.31Å; F55-T59 PolarHBondContact O-OG1 3.41Å
56V87.2Confident81Confident28 Ų2893.7 Ų93.717%0.1748%0.475CS..Hα-helixtrans-62.2-52.4175.6175.10000110.1V41 K52 D53 T59 I60V41-V56 HydrophobicContact CG1-CG2 4.17Å; V41-V56 HydrophobicContact CG2-CG2 4.19Å; K52-V56 HydrophobicContact CG-CG2 3.99Å; K52-V56 WeakPolarHBondContact O-CG2 3.38Å; K52-V56 PolarHBondContact O-N 3.16Å; D53-V56 PolarHBondContact O-N 2.68Å; V56-T59 PolarHBondContact O-N 3.4Å; V56-I60 HydrophobicContact CG1-CD1 3.82Å; V56-I60 WeakPolarHBondContact O-CG1 3.36Å; V56-I60 PolarHBondContact O-N 2.85Å
57A88.9Confident81.7Confident51 Ų5194 Ų9442%0.42147%0.471SS..Hα-helixtrans-61.5-47.3179.700000112.4D53 T59 I60 V61D53-A57 VanDerWaalsContact O-CB 3.24Å; D53-A57 WeakPolarHBondContact O-CB 3.46Å; D53-A57 PolarHBondContact O-N 3.41Å; A57-T59 VanDerWaalsContact C-N 3.31Å; A57-T59 PolarHBondContact O-N 2.87Å; A57-I60 PolarHBondContact O-N 3.22Å; A57-V61 WeakPolarHBondContact O-CG2 3.47Å; A57-V61 PolarHBondContact O-N 2.83Å
58T89.7Confident82.6Confident87 Ų8789.6 Ų89.653%0.53445%0.451SS..Hα-helixtrans-61-39.7175.2-62.70000111.5Y54 V61 V62Y54-T58 VanDerWaalsContact O-CB 3.26Å; Y54-T58 WeakPolarHBondContact O-CB 3.27Å; Y54-T58 PolarHBondContact O-N 3.38Å; Y54-T58 PolarHBondContact O-OG1 3.12Å; T58-V61 PolarHBondContact O-N 2.91Å; T58-V62 HydrophobicContact CG2-CG2 4.22Å; T58-V62 WeakPolarHBondContact O-CB 3.47Å; T58-V62 VanDerWaalsContact O-CG2 3.27Å; T58-V62 WeakPolarHBondContact O-CG2 3.44Å; T58-V62 PolarHBondContact O-N 2.92Å
59T89.3Confident83.3Confident29 Ų2986.8 Ų86.818%0.17844%0.437CS..Hα-helixtrans-65.3-44176.6-58.20000111.2V41 F55 V56 A57 V61 V62 V63V41-T59 HydrophobicContact CG1-CG2 3.94Å; F55-T59 VanDerWaalsContact O-CB 3.24Å; F55-T59 WeakPolarHBondContact O-CB 3.26Å; F55-T59 PolarHBondContact O-N 3.31Å; F55-T59 PolarHBondContact O-OG1 3.41Å; V56-T59 PolarHBondContact O-N 3.4Å; A57-T59 VanDerWaalsContact C-N 3.31Å; A57-T59 PolarHBondContact O-N 2.87Å; T59-V61 PolarHBondContact O-N 3.49Å; T59-V62 PolarHBondContact O-N 3.27Å; T59-V63 HydrophobicContact CG2-CG2 4.16Å; T59-V63 VanDerWaalsContact O-CB 3.32Å; T59-V63 WeakPolarHBondContact O-CB 3.33Å; T59-V63 VanDerWaalsContact O-CG2 3.23Å; T59-V63 WeakPolarHBondContact O-CG2 3.2Å; T59-V63 PolarHBondContact O-N 3.45Å
60I88.8Confident84Confident82 Ų8285.9 Ų85.942%0.42143%0.429SS..Hα-helixtrans-59.1-48.3175.3-68.6165.2000110.5F38 V56 A57 V63 F64F38-I60 HydrophobicContact CD2-CG1 4.07Å; F38-I60 HydrophobicContact CE2-CD1 4.07Å; F38-I60 HydrophobicContact CE2-CG1 3.71Å; V56-I60 HydrophobicContact CG1-CD1 3.82Å; V56-I60 WeakPolarHBondContact O-CG1 3.36Å; V56-I60 PolarHBondContact O-N 2.85Å; A57-I60 PolarHBondContact O-N 3.22Å; I60-V63 PolarHBondContact O-N 2.91Å; I60-F64 VanDerWaalsContact O-CB 3.26Å; I60-F64 WeakPolarHBondContact O-CB 3.36Å; I60-F64 PolarHBondContact O-N 3.42Å
61V89.9Confident84.6Confident99 Ų9976.4 Ų76.460%0.641%0.407SS*.Hα-helixtrans-61.8-46.3178.71710000111.5A57 T58 T59 F65A57-V61 WeakPolarHBondContact O-CG2 3.47Å; A57-V61 PolarHBondContact O-N 2.83Å; T58-V61 PolarHBondContact O-N 2.91Å; T59-V61 PolarHBondContact O-N 3.49Å; V61-F65 WeakPolarHBondContact O-CB 3.5Å; V61-F65 PolarHBondContact O-N 2.7Å
62V88.4Confident84.9Confident76 Ų7679.3 Ų79.346%0.46142%0.417SS..Hα-helixtrans-65.9-41.4179.1169.30000111.5T58 T59 T66T58-V62 HydrophobicContact CG2-CG2 4.22Å; T58-V62 WeakPolarHBondContact O-CB 3.47Å; T58-V62 VanDerWaalsContact O-CG2 3.27Å; T58-V62 WeakPolarHBondContact O-CG2 3.44Å; T58-V62 PolarHBondContact O-N 2.92Å; T59-V62 PolarHBondContact O-N 3.27Å; V62-T66 HydrophobicContact CG1-CG2 4.42Å; V62-T66 VanDerWaalsContact O-CB 3.31Å; V62-T66 WeakPolarHBondContact O-CB 3.44Å; V62-T66 VanDerWaalsContact O-CG2 3.3Å; V62-T66 WeakPolarHBondContact O-CG2 3.45Å; V62-T66 PolarHBondContact O-N 3.43Å; V62-T66 PolarHBondContact O-OG1 2.98Å
63V90.4Very high84.7Confident34 Ų3479.6 Ų79.621%0.20642%0.423CS..Hα-helixtrans-67.2-47.5177.2172.20000110.6T59 I60 T66 V67T59-V63 HydrophobicContact CG2-CG2 4.16Å; T59-V63 VanDerWaalsContact O-CB 3.32Å; T59-V63 WeakPolarHBondContact O-CB 3.33Å; T59-V63 VanDerWaalsContact O-CG2 3.23Å; T59-V63 WeakPolarHBondContact O-CG2 3.2Å; T59-V63 PolarHBondContact O-N 3.45Å; I60-V63 PolarHBondContact O-N 2.91Å; V63-T66 PolarHBondContact O-N 2.96Å; V63-T66 PolarHBondContact O-OG1 3.5Å; V63-V67 HydrophobicContact CG1-CG2 4.2Å; V63-V67 VanDerWaalsContact O-CB 3.27Å; V63-V67 WeakPolarHBondContact O-CB 3.43Å; V63-V67 VanDerWaalsContact O-CG2 3.24Å; V63-V67 WeakPolarHBondContact O-CG2 3.34Å; V63-V67 PolarHBondContact O-N 3.26Å
64F86.5Confident84.5Confident140 Ų14076.2 Ų76.261%0.61440%0.404SS*.Hα-helixtrans-63.1-45.5178.7-166.2-92.3000111.9I60 M68I60-F64 VanDerWaalsContact O-CB 3.26Å; I60-F64 WeakPolarHBondContact O-CB 3.36Å; I60-F64 PolarHBondContact O-N 3.42Å; F64-M68 HydrophobicContact CD1-CG 4.24Å; F64-M68 HydrophobicContact CD1-SD 4.18Å; F64-M68 HydrophobicContact CE1-CG 3.9Å; F64-M68 HydrophobicContact CE1-SD 3.48Å; F64-M68 WeakPolarHBondContact CE1-SD 3.31Å; F64-M68 HydrophobicContact CZ-CG 4.33Å; F64-M68 HydrophobicContact CZ-SD 4.11Å; F64-M68 WeakPolarHBondContact O-CB 3.32Å; F64-M68 PolarHBondContact O-N 3.05Å
65F84.6Confident83.5Confident116 Ų11674 Ų7451%0.50940%0.398SS..Hα-helixtrans-61.3-47.6176.1178.9-92000112V61 M68 F69V61-F65 WeakPolarHBondContact O-CB 3.5Å; V61-F65 PolarHBondContact O-N 2.7Å; F65-M68 PolarHBondContact O-N 3.13Å; F65-F69 HydrophobicContact CD1-CD2 4.4Å; F65-F69 AromaticContact CD2-CD2 3.99Å; F65-F69 HydrophobicContact CD2-CD2 3.99Å; F65-F69 HydrophobicContact CD2-CE2 4.11Å; F65-F69 AromaticContact CE1-CD2 3.98Å; F65-F69 HydrophobicContact CE1-CD2 3.98Å; F65-F69 HydrophobicContact CE1-CE2 4.41Å; F65-F69 HydrophobicContact CE1-CG 4.41Å; F65-F69 AromaticContact CE2-CD2 3.55Å; F65-F69 HydrophobicContact CE2-CD2 3.55Å; F65-F69 AromaticContact CE2-CE2 3.35Å; F65-F69 HydrophobicContact CE2-CE2 3.35Å; F65-F69 HydrophobicContact CE2-CZ 4.3Å; F65-F69 HydrophobicContact CG-CD2 4.4Å; F65-F69 AromaticContact CZ-CD2 3.53Å; F65-F69 HydrophobicContact CZ-CD2 3.53Å; F65-F69 AromaticContact CZ-CE2 3.52Å; F65-F69 HydrophobicContact CZ-CE2 3.52Å; F65-F69 HydrophobicContact CZ-CG 4.24Å; F65-F69 HydrophobicContact CZ-CZ 4.2Å; F65-F69 WeakPolarHBondContact O-CB 3.27Å; F65-F69 PolarHBondContact O-N 3.21Å
66T86.1Confident82.8Confident26 Ų2671.9 Ų71.916%0.1640%0.396CS..Hα-helixtrans-69.8-38.9-179.353.60000112.3V62 V63 F69 Q70V62-T66 HydrophobicContact CG1-CG2 4.42Å; V62-T66 VanDerWaalsContact O-CB 3.31Å; V62-T66 WeakPolarHBondContact O-CB 3.44Å; V62-T66 VanDerWaalsContact O-CG2 3.3Å; V62-T66 WeakPolarHBondContact O-CG2 3.45Å; V62-T66 PolarHBondContact O-N 3.43Å; V62-T66 PolarHBondContact O-OG1 2.98Å; V63-T66 PolarHBondContact O-N 2.96Å; V63-T66 PolarHBondContact O-OG1 3.5Å; T66-F69 PolarHBondContact O-N 3.41Å; T66-Q70 WeakPolarHBondContact O-CB 3.24Å; T66-Q70 WeakPolarHBondContact O-CG 3.14Å; T66-Q70 PolarHBondContact O-N 3.43Å; T66-Q70 PolarHBondContact O-OE1 3.37Å
67V84.4Confident82Confident66 Ų6672.4 Ų72.440%0.440%0.398SS..Hα-helixtrans-67.8-38.3174.51730000111.6V63 G71V63-V67 HydrophobicContact CG1-CG2 4.2Å; V63-V67 VanDerWaalsContact O-CB 3.27Å; V63-V67 WeakPolarHBondContact O-CB 3.43Å; V63-V67 VanDerWaalsContact O-CG2 3.24Å; V63-V67 WeakPolarHBondContact O-CG2 3.34Å; V63-V67 PolarHBondContact O-N 3.26Å; V67-G71 VanDerWaalsContact O-CA 3.31Å; V67-G71 WeakPolarHBondContact O-CA 3.2Å; V67-G71 PolarHBondContact O-N 3.45Å
68M81.8Confident80.9Confident90 Ų9072.5 Ų72.544%0.44339%0.393SS..Hα-helixtrans-63.3-53.4171-88.8-15871.100111.7F64 F65 G71 L72F64-M68 HydrophobicContact CD1-CG 4.24Å; F64-M68 HydrophobicContact CD1-SD 4.18Å; F64-M68 HydrophobicContact CE1-CG 3.9Å; F64-M68 HydrophobicContact CE1-SD 3.48Å; F64-M68 WeakPolarHBondContact CE1-SD 3.31Å; F64-M68 HydrophobicContact CZ-CG 4.33Å; F64-M68 HydrophobicContact CZ-SD 4.11Å; F64-M68 WeakPolarHBondContact O-CB 3.32Å; F64-M68 PolarHBondContact O-N 3.05Å; F65-M68 PolarHBondContact O-N 3.13Å; M68-G71 PolarHBondContact O-N 3.03Å; M68-L72 HydrophobicContact CE-CD1 3.75Å; M68-L72 VanDerWaalsContact O-CB 3.28Å; M68-L72 WeakPolarHBondContact O-CB 3.3Å; M68-L72 VanDerWaalsContact O-CG 3.29Å; M68-L72 WeakPolarHBondContact O-CG 3.17Å; M68-L72 PolarHBondContact O-N 3.46Å
69F80.8Confident79.8Confident114 Ų11473.4 Ų73.450%0.539%0.389SS..Hα-helixtrans-63-47.3-178.2-100.3-94.9000111.7F65 T66 T73F65-F69 HydrophobicContact CD1-CD2 4.4Å; F65-F69 AromaticContact CD2-CD2 3.99Å; F65-F69 HydrophobicContact CD2-CD2 3.99Å; F65-F69 HydrophobicContact CD2-CE2 4.11Å; F65-F69 AromaticContact CE1-CD2 3.98Å; F65-F69 HydrophobicContact CE1-CD2 3.98Å; F65-F69 HydrophobicContact CE1-CE2 4.41Å; F65-F69 HydrophobicContact CE1-CG 4.41Å; F65-F69 AromaticContact CE2-CD2 3.55Å; F65-F69 HydrophobicContact CE2-CD2 3.55Å; F65-F69 AromaticContact CE2-CE2 3.35Å; F65-F69 HydrophobicContact CE2-CE2 3.35Å; F65-F69 HydrophobicContact CE2-CZ 4.3Å; F65-F69 HydrophobicContact CG-CD2 4.4Å; F65-F69 AromaticContact CZ-CD2 3.53Å; F65-F69 HydrophobicContact CZ-CD2 3.53Å; F65-F69 AromaticContact CZ-CE2 3.52Å; F65-F69 HydrophobicContact CZ-CE2 3.52Å; F65-F69 HydrophobicContact CZ-CG 4.24Å; F65-F69 HydrophobicContact CZ-CZ 4.2Å; F65-F69 WeakPolarHBondContact O-CB 3.27Å; F65-F69 PolarHBondContact O-N 3.21Å; T66-F69 PolarHBondContact O-N 3.41Å; F69-T73 VanDerWaalsContact O-CB 3.29Å; F69-T73 WeakPolarHBondContact O-CB 3.37Å; F69-T73 VanDerWaalsContact O-CG2 3.28Å; F69-T73 WeakPolarHBondContact O-CG2 3.48Å; F69-T73 PolarHBondContact O-N 3.18Å; F69-T73 PolarHBondContact O-OG1 3.49Å
70Q78.5Confident78.7Confident29 Ų2981.3 Ų81.314%0.13642%0.416CS..Hα-helixtrans-66.5-40.4177.8-66.4172.5-97.200111.5Y29 G31 R33 T66 I74Y29-Q70 HydrophobicContact CE1-CB 3.97Å; Y29-Q70 HydrophobicContact CE1-CG 3.99Å; Y29-Q70 PolarHBondContact O-NE2 2.94Å; G31-Q70 PolarHBondContact O-NE2 3.27Å; R33-Q70 VanDerWaalsContact CD-OE1 3.26Å; T66-Q70 WeakPolarHBondContact O-CB 3.24Å; T66-Q70 WeakPolarHBondContact O-CG 3.14Å; T66-Q70 PolarHBondContact O-N 3.43Å; T66-Q70 PolarHBondContact O-OE1 3.37Å; Q70-I74 VanDerWaalsContact O-CB 3.23Å; Q70-I74 WeakPolarHBondContact O-CB 3.47Å; Q70-I74 WeakPolarHBondContact O-CG2 3.38Å; Q70-I74 PolarHBondContact O-N 2.81Å
71G78.6Confident77.6Confident46 Ų4679 Ų7947%0.47440%0.404SS..Hα-helixtrans-72.4-34.2-178.800000114.5V67 M68 I74V67-G71 VanDerWaalsContact O-CA 3.31Å; V67-G71 WeakPolarHBondContact O-CA 3.2Å; V67-G71 PolarHBondContact O-N 3.45Å; M68-G71 PolarHBondContact O-N 3.03Å; G71-I74 WeakPolarHBondContact O-CG2 3.37Å
72L80.3Confident76.2Confident98 Ų9881.7 Ų81.751%0.51341%0.408SS..Hα-helixtrans-74.4-42.4171.5-70.6174.8000111.2M68 P76M68-L72 HydrophobicContact CE-CD1 3.75Å; M68-L72 VanDerWaalsContact O-CB 3.28Å; M68-L72 WeakPolarHBondContact O-CB 3.3Å; M68-L72 VanDerWaalsContact O-CG 3.29Å; M68-L72 WeakPolarHBondContact O-CG 3.17Å; M68-L72 PolarHBondContact O-N 3.46Å; L72-P76 WeakPolarHBondContact O-CD 3.2Å
73T72.4Confident74.5Confident45 Ų4581.4 Ų81.428%0.27641%0.406SS..Hα-helixtrans-86.5-15.4-174.364.50000114.7Y29 F69 K75 P76 L77Y29-T73 WeakPolarHBondContact CE1-OG1 3.33Å; Y29-T73 PolarHBondContact OH-OG1 3.01Å; F69-T73 VanDerWaalsContact O-CB 3.29Å; F69-T73 WeakPolarHBondContact O-CB 3.37Å; F69-T73 VanDerWaalsContact O-CG2 3.28Å; F69-T73 WeakPolarHBondContact O-CG2 3.48Å; F69-T73 PolarHBondContact O-N 3.18Å; F69-T73 PolarHBondContact O-OG1 3.49Å; T73-K75 VanDerWaalsContact C-N 3.27Å; T73-K75 PolarHBondContact O-N 3.41Å; T73-P76 VanDerWaalsContact O-CD 3.23Å; T73-P76 WeakPolarHBondContact O-CD 3.37Å; T73-P76 WeakPolarHBondContact O-CG 3.34Å; T73-L77 WeakPolarHBondContact O-CA 3.36Å; T73-L77 WeakPolarHBondContact O-CB 3.24Å; T73-L77 PolarHBondContact O-N 2.8Å
74I75.8Confident72.7Confident50 Ų5086.1 Ų86.126%0.25644%0.437SS..Hα-helixtrans-58.4-38.6176.7-171.967.9000111.8V26 Y29 Q70 G71 V78V26-I74 HydrophobicContact CG1-CD1 4.36Å; Y29-I74 HydrophobicContact CD1-CD1 4.05Å; Q70-I74 VanDerWaalsContact O-CB 3.23Å; Q70-I74 WeakPolarHBondContact O-CB 3.47Å; Q70-I74 WeakPolarHBondContact O-CG2 3.38Å; Q70-I74 PolarHBondContact O-N 2.81Å; G71-I74 WeakPolarHBondContact O-CG2 3.37Å; I74-V78 HydrophobicContact CD1-CG2 3.92Å; I74-V78 HydrophobicContact CG1-CG2 4.17Å; I74-V78 VanDerWaalsContact O-CB 3.24Å; I74-V78 WeakPolarHBondContact O-CB 3.05Å; I74-V78 WeakPolarHBondContact O-CG2 3.48Å; I74-V78 PolarHBondContact O-N 2.77Å
75K65.7Low71Confident131 Ų13191.1 Ų91.157%0.5745%0.452SS*.Hα-helixtrans-62.6-59176.4-76.8-176.3176.6-177.30112.3T73 L77 V78 K79T73-K75 VanDerWaalsContact C-N 3.27Å; T73-K75 PolarHBondContact O-N 3.41Å; K75-L77 PolarHBondContact O-N 3.05Å; K75-V78 PolarHBondContact O-N 3.47Å; K75-K79 WeakPolarHBondContact O-CG 3.37Å; K75-K79 PolarHBondContact O-N 3.28Å
76P70.9Confident69.1Low73 Ų7389.5 Ų89.547%0.47446%0.455SS..Hα-helixtrans-67.1-32177.426.3-34.6000113L72 T73 K79 W80L72-P76 WeakPolarHBondContact O-CD 3.2Å; T73-P76 VanDerWaalsContact O-CD 3.23Å; T73-P76 WeakPolarHBondContact O-CD 3.37Å; T73-P76 WeakPolarHBondContact O-CG 3.34Å; P76-K79 PolarHBondContact O-N 3.46Å; P76-W80 WeakPolarHBondContact O-CB 3.41Å; P76-W80 PolarHBondContact O-N 2.84Å
77L69.4Low66.9Low39 Ų3993.7 Ų93.720%0.20448%0.481CS..Hα-helixtrans-65.3-44.1175.1-175.768.3000111Y29 T73 K75 W80 L81Y29-L77 HydrophobicContact CD1-CD2 3.5Å; Y29-L77 HydrophobicContact CD2-CD2 3.87Å; Y29-L77 HydrophobicContact CE1-CD2 3.92Å; Y29-L77 HydrophobicContact CE2-CD2 4.27Å; Y29-L77 HydrophobicContact CG-CD2 3.49Å; Y29-L77 VanDerWaalsContact CG-CD2 3.49Å; T73-L77 WeakPolarHBondContact O-CA 3.36Å; T73-L77 WeakPolarHBondContact O-CB 3.24Å; T73-L77 PolarHBondContact O-N 2.8Å; K75-L77 PolarHBondContact O-N 3.05Å; L77-W80 HydrophobicContact CD1-CE3 4.08Å; L77-W80 HydrophobicContact CD1-CZ3 4.49Å; L77-W80 PolarHBondContact O-N 2.82Å; L77-L81 WeakPolarHBondContact O-CB 3.29Å; L77-L81 PolarHBondContact O-N 3.4Å
78V66.2Low65Low53 Ų5398.4 Ų98.432%0.32150%0.504SS..Hα-helixtrans-66.8-40.2173.7170.70000110.9V26 I74 K75 W80 K82V26-V78 HydrophobicContact CG1-CG2 3.99Å; V26-V78 HydrophobicContact CG2-CG2 4.1Å; I74-V78 HydrophobicContact CD1-CG2 3.92Å; I74-V78 HydrophobicContact CG1-CG2 4.17Å; I74-V78 VanDerWaalsContact O-CB 3.24Å; I74-V78 WeakPolarHBondContact O-CB 3.05Å; I74-V78 WeakPolarHBondContact O-CG2 3.48Å; I74-V78 PolarHBondContact O-N 2.77Å; K75-V78 PolarHBondContact O-N 3.47Å; V78-W80 VanDerWaalsContact C-N 3.3Å; V78-W80 PolarHBondContact O-N 3.49Å; V78-K82 WeakPolarHBondContact O-CB 3.45Å; V78-K82 PolarHBondContact O-N 2.87Å
79K66.4Low63.6Low106 Ų106103.8 Ų103.846%0.46152%0.519SS..Hα-helixtrans-61.1-36.2172.1-72.6-176.4177.7-168.40112.1K75 P76 E95 E99K75-K79 WeakPolarHBondContact O-CG 3.37Å; K75-K79 PolarHBondContact O-N 3.28Å; P76-K79 PolarHBondContact O-N 3.46Å; K79-E95 WeakPolarHBondContact CE-OE1 3.23Å; K79-E95 IonicContact NZ-OE1 2.69Å; K79-E95 PolarHBondContact NZ-OE1 2.85Å; K79-E99 IonicContact NZ-OE1 2.73Å; K79-E99 PolarHBondContact NZ-OE1 2.81Å
80W66.8Low61.9Low195 Ų195107.1 Ų107.174%0.73953%0.534SS*.Hα-helixtrans-79-41.8-178.1-178.979.6000113.6P76 L77 V78 K82P76-W80 WeakPolarHBondContact O-CB 3.41Å; P76-W80 PolarHBondContact O-N 2.84Å; L77-W80 HydrophobicContact CD1-CE3 4.08Å; L77-W80 HydrophobicContact CD1-CZ3 4.49Å; L77-W80 PolarHBondContact O-N 2.82Å; V78-W80 VanDerWaalsContact C-N 3.3Å; V78-W80 PolarHBondContact O-N 3.49Å; W80-K82 PolarHBondContact O-N 2.86Å
81L65.9Low60.8Low32 Ų32109.5 Ų109.517%0.16855%0.551CS.*Hα-helixtrans-68.2-25.2173-13269000111.3I22 V25 V26 L77 V83I22-L81 HydrophobicContact CB-CD2 4.23Å; I22-L81 HydrophobicContact CG1-CG 4.45Å; I22-L81 HydrophobicContact CG2-CB 4.26Å; I22-L81 HydrophobicContact CG2-CD2 3.77Å; I22-L81 HydrophobicContact CG2-CG 3.97Å; I22-L81 VanDerWaalsContact O-CD2 3.32Å; I22-L81 WeakPolarHBondContact O-CD2 3.4Å; V25-L81 HydrophobicContact CB-CD2 3.83Å; V25-L81 HydrophobicContact CG1-CD1 4.41Å; V25-L81 HydrophobicContact CG1-CD2 3.68Å; V26-L81 HydrophobicContact CG2-CD2 3.79Å; L77-L81 WeakPolarHBondContact O-CB 3.29Å; L77-L81 PolarHBondContact O-N 3.4Å; L81-V83 VanDerWaalsContact C-N 3.26Å; L81-V83 PolarHBondContact O-N 3.44Å
82K59.4Low59.9Low156 Ų156111.5 Ų111.568%0.67855%0.554SS**SBendtrans-8568.5175.9-159.2165.8-165.1164.10112.2V78 W80V78-K82 WeakPolarHBondContact O-CB 3.45Å; V78-K82 PolarHBondContact O-N 2.87Å; W80-K82 PolarHBondContact O-N 2.86Å
83V53.8Low59.3Low71 Ų71112.4 Ų112.443%0.4356%0.559SS.*  trans87.1123.5157.2-1630000117.2L81 R85L81-V83 VanDerWaalsContact C-N 3.26Å; L81-V83 PolarHBondContact O-N 3.44Å; V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 PolarHBondContact O-N 3.01Å
84P53.3Low58.9Low132 Ų132115.6 Ų115.686%0.85757%0.574SS**SBendtrans-69.288.215530.8-32.7000109.9
85R50.3Low58.3Low245 Ų245116.7 Ų116.793%0.92558%0.578SS**SBendtrans5992.3-180-67.2-178.2172.7170.6-3.3116.9V83V83-R85 VanDerWaalsContact C-N 3.3Å; V83-R85 PolarHBondContact O-N 3.01Å
86S43.8Very low58.3Low82 Ų82113.9 Ų113.957%0.57357%0.567SS**  trans-155.3162.2138.275.50000111
87T39.5Very low58.4Low115 Ų115114.8 Ų114.871%0.70657%0.567SS**  trans5696.1-178.1-151.40000116.6R89T87-R89 PolarHBondContact O-N 2.99Å
88N45.7Very low58.5Low164 Ų164118.3 Ų118.388%0.87758%0.582SS**  trans-73.684.7159.1-170.8-41.7000108
89R51.8Low58.7Low204 Ų204120.1 Ų120.177%0.7759%0.587SS**PPolyproline II helixtrans-81119.8178.6-168.7173-173.7139.4-0.9108.1T87 P91T87-R89 PolarHBondContact O-N 2.99Å; R89-P91 VanDerWaalsContact O-N 3.15Å
90K45.5Very low58.8Low184 Ų184121.4 Ų121.480%0.859%0.589SS**PPolyproline II helixtrans-49.4122.2173.7-63.7-175.7-178.5-175.80108.5T92K90-T92 PolarHBondContact O-N 3.15Å
91P55.2Low59Low78 Ų78114 Ų11451%0.50657%0.57SS.*PPolyproline II helixtrans-60.9139.8-177.524.9-33.3000109R89R89-P91 VanDerWaalsContact O-N 3.15Å
92T60.5Low59.4Low88 Ų88117.6 Ų117.654%0.5458%0.584SS.*PPolyproline II helixtrans-73.9150.5173.953.10000109.3K90 N94 E95 E96K90-T92 PolarHBondContact O-N 3.15Å; T92-N94 PolarHBondContact O-N 3.47Å; T92-E95 WeakPolarHBondContact O-CA 3.44Å; T92-E95 WeakPolarHBondContact O-CB 3.48Å; T92-E95 PolarHBondContact O-N 3.44Å; T92-E96 PolarHBondContact O-N 2.89Å
93I67.1Low59.8Low118 Ų118114.3 Ų114.361%0.60557%0.574SS**Hα-helixtrans-50.9-35.6-179.8-68.6168.8000111.7E96 I97I93-E96 WeakPolarHBondContact O-CB 3.48Å; I93-E96 PolarHBondContact O-N 2.82Å; I93-I97 HydrophobicContact CG2-CD1 3.66Å; I93-I97 HydrophobicContact CG2-CG1 4.25Å; I93-I97 WeakPolarHBondContact O-CB 3.23Å; I93-I97 VanDerWaalsContact O-CG1 3.23Å; I93-I97 WeakPolarHBondContact O-CG1 3.29Å; I93-I97 PolarHBondContact O-N 3.38Å
94N64.1Low60.9Low111 Ų111117.4 Ų117.459%0.59458%0.583SS**Hα-helixtrans-66.9-35.8177.2-60.913.9000113T92 H98T92-N94 PolarHBondContact O-N 3.47Å; N94-H98 WeakPolarHBondContact O-CB 3.28Å; N94-H98 PolarHBondContact O-CD2 2.98Å; N94-H98 VanDerWaalsContact O-CG 3.32Å; N94-H98 PolarHBondContact O-N 3.03Å
95E63.9Low62.1Low73 Ų73116.1 Ų116.134%0.34157%0.568SS.*Hα-helixtrans-67.9-45.2172.8-173.7166.7-156.200110K79 T92 I97 H98 E99K79-E95 WeakPolarHBondContact CE-OE1 3.23Å; K79-E95 IonicContact NZ-OE1 2.69Å; K79-E95 PolarHBondContact NZ-OE1 2.85Å; T92-E95 WeakPolarHBondContact O-CA 3.44Å; T92-E95 WeakPolarHBondContact O-CB 3.48Å; T92-E95 PolarHBondContact O-N 3.44Å; E95-I97 VanDerWaalsContact C-N 3.34Å; E95-I97 PolarHBondContact O-N 2.99Å; E95-H98 PolarHBondContact O-N 3.06Å; E95-H98 VanDerWaalsContact O-N 3.11Å; E95-E99 HydrophobicContact CG-CG 4.35Å; E95-E99 VanDerWaalsContact O-CG 3.29Å; E95-E99 WeakPolarHBondContact O-CG 3.28Å; E95-E99 PolarHBondContact O-N 3.48Å
96E64.6Low62.8Low73 Ų73107.6 Ų107.634%0.34154%0.54SS..Hα-helixtrans-60.7-38.6177.1-155.1-171.7154.400113T92 I93 R100T92-E96 PolarHBondContact O-N 2.89Å; I93-E96 WeakPolarHBondContact O-CB 3.48Å; I93-E96 PolarHBondContact O-N 2.82Å; E96-R100 VanDerWaalsContact CD-NH1 3.29Å; E96-R100 WeakPolarHBondContact O-CB 3.26Å; E96-R100 WeakPolarHBondContact O-CG 3.31Å; E96-R100 PolarHBondContact O-N 3.3Å; E96-R100 VanDerWaalsContact O-N 3.15Å; E96-R100 IonicContact OE1-CZ 3.09Å; E96-R100 IonicContact OE1-NH1 2.71Å; E96-R100 PolarHBondContact OE1-NH1 2.77Å; E96-R100 IonicContact OE1-NH2 2.69Å; E96-R100 PolarHBondContact OE1-NH2 3.28Å
97I73.3Confident64Low92 Ų92107.2 Ų107.247%0.47254%0.535SS..Hα-helixtrans-67.1-43172.6-71.9166.6000111I93 E95 A101I93-I97 HydrophobicContact CG2-CD1 3.66Å; I93-I97 HydrophobicContact CG2-CG1 4.25Å; I93-I97 WeakPolarHBondContact O-CB 3.23Å; I93-I97 VanDerWaalsContact O-CG1 3.23Å; I93-I97 WeakPolarHBondContact O-CG1 3.29Å; I93-I97 PolarHBondContact O-N 3.38Å; E95-I97 VanDerWaalsContact C-N 3.34Å; E95-I97 PolarHBondContact O-N 2.99Å; I97-A101 WeakPolarHBondContact O-CB 3.3Å; I97-A101 PolarHBondContact O-N 2.85Å
98H71.4Confident65.5Low112 Ų112103.9 Ų103.952%0.51952%0.519SS..Hα-helixtrans-70.7-38.3-178.6-77.7-46.8000113.4N94 E95 F102N94-H98 WeakPolarHBondContact O-CB 3.28Å; N94-H98 PolarHBondContact O-CD2 2.98Å; N94-H98 VanDerWaalsContact O-CG 3.32Å; N94-H98 PolarHBondContact O-N 3.03Å; E95-H98 PolarHBondContact O-N 3.06Å; E95-H98 VanDerWaalsContact O-N 3.11Å; H98-F102 WeakPolarHBondContact O-CB 3.15Å; H98-F102 PolarHBondContact O-N 3.23Å
99E71.4Confident66.4Low92 Ų92100 Ų10043%0.4350%0.501SS..Hα-helixtrans-66-47174.3-56.5-80.5-178.900109.3K79 E95 A101 F102 D103K79-E99 IonicContact NZ-OE1 2.73Å; K79-E99 PolarHBondContact NZ-OE1 2.81Å; E95-E99 HydrophobicContact CG-CG 4.35Å; E95-E99 VanDerWaalsContact O-CG 3.29Å; E95-E99 WeakPolarHBondContact O-CG 3.28Å; E95-E99 PolarHBondContact O-N 3.48Å; E99-A101 PolarHBondContact O-N 2.63Å; E99-F102 WeakPolarHBondContact O-CB 3.02Å; E99-F102 PolarHBondContact O-N 3.39Å; E99-F102 VanDerWaalsContact O-N 3.14Å; E99-D103 PolarHBondContact O-N 3.48Å
100R67.9Low67.1Low133 Ų13394 Ų9450%0.50248%0.482SS..Hα-helixtrans-60.5-41.8174.7-77.1-177.5180121.311.5114.1E96 F102 D103 H104E96-R100 VanDerWaalsContact CD-NH1 3.29Å; E96-R100 WeakPolarHBondContact O-CB 3.26Å; E96-R100 WeakPolarHBondContact O-CG 3.31Å; E96-R100 PolarHBondContact O-N 3.3Å; E96-R100 VanDerWaalsContact O-N 3.15Å; E96-R100 IonicContact OE1-CZ 3.09Å; E96-R100 IonicContact OE1-NH1 2.71Å; E96-R100 PolarHBondContact OE1-NH1 2.77Å; E96-R100 IonicContact OE1-NH2 2.69Å; E96-R100 PolarHBondContact OE1-NH2 3.28Å; R100-F102 VanDerWaalsContact C-N 3.28Å; R100-F102 PolarHBondContact O-N 2.84Å; R100-D103 PolarHBondContact O-N 3.38Å; R100-H104 PolarHBondContact O-CD2 2.87Å; R100-H104 PolarHBondContact O-N 3.41Å
101A69.9Low67.8Low40 Ų4091.4 Ų91.433%0.33148%0.477SS..Hα-helixtrans-64.5-37.1176.800000110.9I97 E99 I105I97-A101 WeakPolarHBondContact O-CB 3.3Å; I97-A101 PolarHBondContact O-N 2.85Å; E99-A101 PolarHBondContact O-N 2.63Å; A101-I105 WeakPolarHBondContact O-CB 3.43Å; A101-I105 WeakPolarHBondContact O-CD1 3.18Å; A101-I105 WeakPolarHBondContact O-CG1 3.17Å; A101-I105 PolarHBondContact O-N 3.1Å
102F74.4Confident68.4Low106 Ų10694.8 Ų94.847%0.46549%0.489SS..Hα-helixtrans-66.5-43.3173.8-168.6-96.3000111.8H98 E99 R100 H104 I105 L106H98-F102 WeakPolarHBondContact O-CB 3.15Å; H98-F102 PolarHBondContact O-N 3.23Å; E99-F102 WeakPolarHBondContact O-CB 3.02Å; E99-F102 PolarHBondContact O-N 3.39Å; E99-F102 VanDerWaalsContact O-N 3.14Å; R100-F102 VanDerWaalsContact C-N 3.28Å; R100-F102 PolarHBondContact O-N 2.84Å; F102-H104 PolarHBondContact O-N 2.96Å; F102-I105 PolarHBondContact O-N 3.12Å; F102-L106 VanDerWaalsContact O-CB 3.28Å; F102-L106 WeakPolarHBondContact O-CB 3.32Å; F102-L106 PolarHBondContact O-N 2.84Å
103D68.6Low68.5Low87 Ų8793.7 Ų93.747%0.46549%0.489SS..Hα-helixtrans-61-41.4174.9-73.7-25.4000112.4E99 R100 L106 T107E99-D103 PolarHBondContact O-N 3.48Å; R100-D103 PolarHBondContact O-N 3.38Å; D103-L106 PolarHBondContact O-N 3.03Å; D103-T107 WeakPolarHBondContact O-CB 3.43Å; D103-T107 PolarHBondContact O-N 3.26Å; D103-T107 PolarHBondContact O-OG1 2.97Å
104H77.3Confident68.2Low136 Ų13691 Ų9163%0.6349%0.49SS*.Hα-helixtrans-68-38.7175.5-71.6-49000112.8R100 F102 T107 A108R100-H104 PolarHBondContact O-CD2 2.87Å; R100-H104 PolarHBondContact O-N 3.41Å; F102-H104 PolarHBondContact O-N 2.96Å; H104-T107 PolarHBondContact O-N 3.42Å; H104-A108 WeakPolarHBondContact O-CB 3.41Å; H104-A108 PolarHBondContact O-N 2.91Å
105I77Confident67.7Low105 Ų10592.7 Ų92.754%0.53850%0.498SS..Hα-helixtrans-65.8-41.7172.9-70.7164.3000110.3A101 F102 T107 A108 V109A101-I105 WeakPolarHBondContact O-CB 3.43Å; A101-I105 WeakPolarHBondContact O-CD1 3.18Å; A101-I105 WeakPolarHBondContact O-CG1 3.17Å; A101-I105 PolarHBondContact O-N 3.1Å; F102-I105 PolarHBondContact O-N 3.12Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 3.48Å; I105-A108 PolarHBondContact O-N 3.04Å; I105-V109 HydrophobicContact CG2-CG2 4.4Å; I105-V109 WeakPolarHBondContact O-CB 3.41Å; I105-V109 VanDerWaalsContact O-CG2 3.29Å; I105-V109 WeakPolarHBondContact O-CG2 3.42Å; I105-V109 PolarHBondContact O-N 3.41Å
106L65.7Low67.4Low66 Ų6695.6 Ų95.635%0.34651%0.512SS..Hα-helixtrans-64.1-38.8177.2-16872.3000111.3F102 D103 V109 E110 Y118F102-L106 VanDerWaalsContact O-CB 3.28Å; F102-L106 WeakPolarHBondContact O-CB 3.32Å; F102-L106 PolarHBondContact O-N 2.84Å; D103-L106 PolarHBondContact O-N 3.03Å; L106-V109 PolarHBondContact O-N 3.35Å; L106-E110 WeakPolarHBondContact O-CB 3.47Å; L106-E110 PolarHBondContact O-N 2.83Å; L106-Y118 HydrophobicContact CD2-CD2 4.13Å; L106-Y118 HydrophobicContact CD2-CE2 4.43Å
107T68.8Low67.1Low74 Ų7493 Ų9345%0.45451%0.505SS..Hα-helixtrans-64.3-46.2173.7-53.80000111.1D103 H104 I105 V109 E110 D111D103-T107 WeakPolarHBondContact O-CB 3.43Å; D103-T107 PolarHBondContact O-N 3.26Å; D103-T107 PolarHBondContact O-OG1 2.97Å; H104-T107 PolarHBondContact O-N 3.42Å; I105-T107 VanDerWaalsContact C-N 3.33Å; I105-T107 PolarHBondContact O-N 3.48Å; T107-V109 VanDerWaalsContact C-N 3.31Å; T107-V109 PolarHBondContact O-N 3.49Å; T107-E110 WeakPolarHBondContact O-CB 3.47Å; T107-E110 PolarHBondContact O-N 3.28Å; T107-E110 VanDerWaalsContact O-N 3.15Å; T107-D111 PolarHBondContact O-N 2.78Å
108A72Confident66.1Low46 Ų4696.1 Ų96.138%0.3851%0.512SS..Hα-helixtrans-64.3-34.9176.300000112.4H104 I105 I112H104-A108 WeakPolarHBondContact O-CB 3.41Å; H104-A108 PolarHBondContact O-N 2.91Å; I105-A108 PolarHBondContact O-N 3.04Å; A108-I112 WeakPolarHBondContact O-CB 3.29Å; A108-I112 WeakPolarHBondContact O-CD1 3.33Å; A108-I112 WeakPolarHBondContact O-CG1 3.45Å; A108-I112 PolarHBondContact O-N 2.86Å
109V65Low65.5Low81 Ų8196.6 Ų96.649%0.49151%0.514SS..Hα-helixtrans-71.1-34.2172.8169.60000111.5I105 L106 T107 A113I105-V109 HydrophobicContact CG2-CG2 4.4Å; I105-V109 WeakPolarHBondContact O-CB 3.41Å; I105-V109 VanDerWaalsContact O-CG2 3.29Å; I105-V109 WeakPolarHBondContact O-CG2 3.42Å; I105-V109 PolarHBondContact O-N 3.41Å; L106-V109 PolarHBondContact O-N 3.35Å; T107-V109 VanDerWaalsContact C-N 3.31Å; T107-V109 PolarHBondContact O-N 3.49Å; V109-A113 WeakPolarHBondContact O-CB 3.07Å; V109-A113 PolarHBondContact O-N 3.01Å
110E64.8Low64.9Low80 Ų8095.9 Ų95.937%0.37451%0.511SS..Hα-helixtrans-65.6-43.4172.7-168.8177.5136.400111.2L106 T107 A113 G114 G117 Y118L106-E110 WeakPolarHBondContact O-CB 3.47Å; L106-E110 PolarHBondContact O-N 2.83Å; T107-E110 WeakPolarHBondContact O-CB 3.47Å; T107-E110 PolarHBondContact O-N 3.28Å; T107-E110 VanDerWaalsContact O-N 3.15Å; E110-A113 PolarHBondContact O-N 3.05Å; E110-G114 PolarHBondContact O-N 3.23Å; E110-G117 WeakPolarHBondContact OE1-CA 3.4Å; E110-G117 PolarHBondContact OE1-N 2.93Å; E110-G117 WeakPolarHBondContact OE2-CA 3.39Å; E110-Y118 PolarHBondContact OE2-N 2.99Å
111D60.1Low64.6Low128 Ų12899.7 Ų99.768%0.68453%0.525SS*.Hα-helixtrans-63.4-43.5174.3-76.5-30.9000112T107 G114T107-D111 PolarHBondContact O-N 2.78Å; D111-G114 PolarHBondContact O-N 2.86Å
112I67.8Low64.2Low149 Ų149103.2 Ų103.276%0.76453%0.53SS*.Hα-helixtrans-69.4-36.1177.3-70.4164.4000111.9A108 G114A108-I112 WeakPolarHBondContact O-CB 3.29Å; A108-I112 WeakPolarHBondContact O-CD1 3.33Å; A108-I112 WeakPolarHBondContact O-CG1 3.45Å; A108-I112 PolarHBondContact O-N 2.86Å; I112-G114 PolarHBondContact O-N 3.28Å
113A64.2Low63.9Low66 Ų66101 Ų10155%0.54552%0.523SS..Hα-helixtrans-71.7-17.517900000113.1V109 E110 L115V109-A113 WeakPolarHBondContact O-CB 3.07Å; V109-A113 PolarHBondContact O-N 3.01Å; E110-A113 PolarHBondContact O-N 3.05Å; A113-L115 PolarHBondContact O-N 3.49Å
114G60Low63.9Low61 Ų61102.5 Ų102.563%0.62953%0.525SS*.  trans68.2-15.9169.700000116.6E110 D111 I112E110-G114 PolarHBondContact O-N 3.23Å; D111-G114 PolarHBondContact O-N 2.86Å; I112-G114 PolarHBondContact O-N 3.28Å
115L54Low63.3Low146 Ų146104 Ų10476%0.76453%0.526SS*.SBendtrans-132.3108.4-179.1-74.6175.7000112.2A113A113-L115 PolarHBondContact O-N 3.49Å
116Q56.5Low63.1Low135 Ų135102 Ų10263%0.63151%0.514SS*.  trans69.488.5152.2-150.487.3-12.600116.5H120Q116-H120 HydrophobicContact CB-CB 3.86Å; Q116-H120 HydrophobicContact CG-CB 3.6Å; Q116-H120 WeakPolarHBondContact O-CB 3.49Å
117G58.9Low63.6Low19 Ų19104.2 Ų104.220%0.19652%0.523CS..  64.4131.5120.300000119.8E110 H119 H120E110-G117 WeakPolarHBondContact OE1-CA 3.4Å; E110-G117 PolarHBondContact OE1-N 2.93Å; E110-G117 WeakPolarHBondContact OE2-CA 3.39Å; G117-H119 CarbonylContact O-C 3.59Å; G117-H119 PolarHBondContact O-N 3.23Å; G117-H120 WeakPolarHBondContact O-CB 3.23Å; G117-H120 PolarHBondContact O-N 3.43Å
118Y53.4Low64Low156 Ų156105.3 Ų105.361%0.61252%0.521SS*.Hα-helixtrans-37.9-37.5158-175.3-98.4000114.2L106 E110 R122L106-Y118 HydrophobicContact CD2-CD2 4.13Å; L106-Y118 HydrophobicContact CD2-CE2 4.43Å; E110-Y118 PolarHBondContact OE2-N 2.99Å; Y118-R122 WeakPolarHBondContact O-CB 3.44Å; Y118-R122 PolarHBondContact O-N 3.07Å
119H57.5Low64.2Low123 Ų123105.8 Ų105.857%0.56952%0.517SS*.Hα-helixtrans-69.1-33.3175-67.4-75.2000114.5G117 R122 D123G117-H119 CarbonylContact O-C 3.59Å; G117-H119 PolarHBondContact O-N 3.23Å; H119-R122 WeakPolarHBondContact O-CB 3.39Å; H119-R122 PolarHBondContact O-N 2.86Å; H119-D123 WeakPolarHBondContact O-CB 3.2Å; H119-D123 PolarHBondContact O-N 3.43Å
120H60.1Low64.7Low76 Ų76106.3 Ų106.335%0.35251%0.513SS..Hα-helixtrans-66.2-46.2-176-165.462.7000112.6Q116 G117 R122 D123 K124Q116-H120 HydrophobicContact CB-CB 3.86Å; Q116-H120 HydrophobicContact CG-CB 3.6Å; Q116-H120 WeakPolarHBondContact O-CB 3.49Å; G117-H120 WeakPolarHBondContact O-CB 3.23Å; G117-H120 PolarHBondContact O-N 3.43Å; H120-R122 VanDerWaalsContact C-N 3.33Å; H120-D123 PolarHBondContact O-N 2.74Å; H120-K124 WeakPolarHBondContact NE2-CE 3.43Å; H120-K124 WeakPolarHBondContact O-CB 3.21Å; H120-K124 WeakPolarHBondContact O-CG 3.42Å; H120-K124 PolarHBondContact O-N 2.94Å
121W60.4Low65.2Low213 Ų213106.4 Ų106.481%0.80752%0.516SS*.Hα-helixtrans-63.3-41.8174.8-82.479.5000111.2D123 W125W121-D123 PolarHBondContact O-N 3.38Å; W121-W125 VanDerWaalsContact O-CB 3.24Å; W121-W125 WeakPolarHBondContact O-CB 3.29Å; W121-W125 PolarHBondContact O-N 2.77Å
122R62.8Low65.6Low114 Ų114107.6 Ų107.643%0.4351%0.512SS..Hα-helixtrans-61.5-42.7175.6-161.9-157.477.685.113.5112.2Y118 H119 H120 W125 E126Y118-R122 WeakPolarHBondContact O-CB 3.44Å; Y118-R122 PolarHBondContact O-N 3.07Å; H119-R122 WeakPolarHBondContact O-CB 3.39Å; H119-R122 PolarHBondContact O-N 2.86Å; H120-R122 VanDerWaalsContact C-N 3.33Å; R122-W125 PolarHBondContact O-N 2.98Å; R122-E126 IonicContact CZ-OE2 2.75Å; R122-E126 IonicContact NH1-OE2 3.21Å; R122-E126 PolarHBondContact NH1-OE2 3.47Å; R122-E126 IonicContact NH2-OE2 2.86Å; R122-E126 PolarHBondContact NH2-OE2 3.03Å; R122-E126 WeakPolarHBondContact O-CB 3.42Å; R122-E126 PolarHBondContact O-N 2.69Å
123D66.7Low65.7Low60 Ų60103.4 Ų103.432%0.32149%0.491SS..Hα-helixtrans-80.4-34.5-176.2-62.1-10.5000111.5H119 H120 W121 W125 E126 Q127H119-D123 WeakPolarHBondContact O-CB 3.2Å; H119-D123 PolarHBondContact O-N 3.43Å; H120-D123 PolarHBondContact O-N 2.74Å; W121-D123 PolarHBondContact O-N 3.38Å; D123-W125 VanDerWaalsContact C-N 3.34Å; D123-E126 PolarHBondContact O-N 2.73Å; D123-Q127 VanDerWaalsContact O-CB 3.3Å; D123-Q127 WeakPolarHBondContact O-CB 3.47Å; D123-Q127 WeakPolarHBondContact O-CG 3.37Å; D123-Q127 PolarHBondContact O-N 3.06Å
124K69.5Low65.8Low118 Ų118100.7 Ų100.751%0.51347%0.468SS..Hα-helixtrans-60-43.7166-75.5-94.9-169.7168.40110.9H120 Q127 F128H120-K124 WeakPolarHBondContact NE2-CE 3.43Å; H120-K124 WeakPolarHBondContact O-CB 3.21Å; H120-K124 WeakPolarHBondContact O-CG 3.42Å; H120-K124 PolarHBondContact O-N 2.94Å; K124-Q127 PolarHBondContact O-N 2.84Å; K124-F128 WeakPolarHBondContact O-CB 3.17Å; K124-F128 PolarHBondContact O-N 3.39Å
125W64.8Low66.2Low169 Ų169104.6 Ų104.664%0.6447%0.467SS*.Hα-helixtrans-66.4-43.5175.1-175.1-91000111.5W121 R122 D123 Q127 F128 D129W121-W125 VanDerWaalsContact O-CB 3.24Å; W121-W125 WeakPolarHBondContact O-CB 3.29Å; W121-W125 PolarHBondContact O-N 2.77Å; R122-W125 PolarHBondContact O-N 2.98Å; D123-W125 VanDerWaalsContact C-N 3.34Å; W125-Q127 VanDerWaalsContact C-N 3.29Å; W125-Q127 PolarHBondContact O-N 3.11Å; W125-F128 PolarHBondContact O-N 2.83Å; W125-D129 VanDerWaalsContact O-CB 3.27Å; W125-D129 WeakPolarHBondContact O-CB 3.38Å; W125-D129 PolarHBondContact O-N 3.31Å
126E71.8Confident66.9Low63 Ų63104.6 Ų104.629%0.29447%0.467SS..Hα-helixtrans-65.3-31.9176.4-158.7-178.613000111.9R122 D123 K130R122-E126 IonicContact CZ-OE2 2.75Å; R122-E126 IonicContact NH1-OE2 3.21Å; R122-E126 PolarHBondContact NH1-OE2 3.47Å; R122-E126 IonicContact NH2-OE2 2.86Å; R122-E126 PolarHBondContact NH2-OE2 3.03Å; R122-E126 WeakPolarHBondContact O-CB 3.42Å; R122-E126 PolarHBondContact O-N 2.69Å; D123-E126 PolarHBondContact O-N 2.73Å; E126-K130 HydrophobicContact CG-CD 4.39Å; E126-K130 VanDerWaalsContact O-CB 3.29Å; E126-K130 WeakPolarHBondContact O-CB 3.18Å; E126-K130 WeakPolarHBondContact O-CD 3.21Å; E126-K130 WeakPolarHBondContact O-CG 3.16Å; E126-K130 PolarHBondContact O-N 2.9Å; E126-K130 WeakPolarHBondContact OE1-CE 3.29Å; E126-K130 IonicContact OE1-NZ 2.58Å; E126-K130 PolarHBondContact OE1-NZ 3.41Å
127Q75.8Confident67.2Low112 Ų112104.1 Ų104.152%0.52347%0.469SS..Hα-helixtrans-70.8-41.4170.5-74.3164.613.500112.3D123 K124 W125 N131D123-Q127 VanDerWaalsContact O-CB 3.3Å; D123-Q127 WeakPolarHBondContact O-CB 3.47Å; D123-Q127 WeakPolarHBondContact O-CG 3.37Å; D123-Q127 PolarHBondContact O-N 3.06Å; K124-Q127 PolarHBondContact O-N 2.84Å; W125-Q127 VanDerWaalsContact C-N 3.29Å; W125-Q127 PolarHBondContact O-N 3.11Å; Q127-N131 WeakPolarHBondContact O-CB 3.16Å; Q127-N131 PolarHBondContact O-N 2.84Å; Q127-N131 PolarHBondContact O-ND2 3.14Å; Q127-N131 VanDerWaalsContact O-ND2 3.12Å
128F77Confident67.4Low97 Ų97107 Ų10743%0.42548%0.479SS..Hα-helixtrans-67.5-43.4176.5-179.6-95.9000111.6K124 W125 N131 Y132 L133K124-F128 WeakPolarHBondContact O-CB 3.17Å; K124-F128 PolarHBondContact O-N 3.39Å; W125-F128 PolarHBondContact O-N 2.83Å; F128-N131 PolarHBondContact O-N 3.15Å; F128-Y132 AromaticContact CD2-CD2 3.46Å; F128-Y132 HydrophobicContact CD2-CD2 3.46Å; F128-Y132 VanDerWaalsContact CD2-CD2 3.46Å; F128-Y132 AromaticContact CD2-CE2 3.99Å; F128-Y132 HydrophobicContact CD2-CE2 3.99Å; F128-Y132 HydrophobicContact CD2-CG 4.32Å; F128-Y132 AromaticContact CE2-CD2 3.66Å; F128-Y132 HydrophobicContact CE2-CD2 3.66Å; F128-Y132 HydrophobicContact CE2-CE2 4.27Å; F128-Y132 HydrophobicContact CE2-CG 4.12Å; F128-Y132 HydrophobicContact CG-CD2 4.19Å; F128-Y132 WeakPolarHBondContact O-CB 3.38Å; F128-Y132 PolarHBondContact O-N 3.02Å; F128-L133 PolarHBondContact O-N 2.96Å
129D77.1Confident67.6Low56 Ų56109.6 Ų109.630%0.29949%0.488SS..Iπ-helixtrans-56.5-59.7172177.567.6000110.3W125 N131 L133 S134W125-D129 VanDerWaalsContact O-CB 3.27Å; W125-D129 WeakPolarHBondContact O-CB 3.38Å; W125-D129 PolarHBondContact O-N 3.31Å; D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 2.91Å; D129-L133 HydrophobicContact CB-CB 4.49Å; D129-L133 CarbonylContact O-C 3.59Å; D129-L133 PolarHBondContact O-N 3.33Å; D129-L133 VanDerWaalsContact O-N 3.07Å; D129-L133 WeakPolarHBondContact OD1-CD2 3.27Å; D129-S134 WeakPolarHBondContact O-CB 3.3Å; D129-S134 PolarHBondContact O-N 3.48Å
130K74.6Confident67.4Low92 Ų92113.3 Ų113.340%0.450%0.502SS..Iπ-helixtrans-57.6-41.1178.4-73.3170-176169.80112.9E126 S134E126-K130 HydrophobicContact CG-CD 4.39Å; E126-K130 VanDerWaalsContact O-CB 3.29Å; E126-K130 WeakPolarHBondContact O-CB 3.18Å; E126-K130 WeakPolarHBondContact O-CD 3.21Å; E126-K130 WeakPolarHBondContact O-CG 3.16Å; E126-K130 PolarHBondContact O-N 2.9Å; E126-K130 WeakPolarHBondContact OE1-CE 3.29Å; E126-K130 IonicContact OE1-NZ 2.58Å; E126-K130 PolarHBondContact OE1-NZ 3.41Å; K130-S134 PolarHBondContact O-OG 3.4Å
131N75.1Confident67.2Low81 Ų81113.9 Ų113.943%0.43352%0.515SS..Iπ-helixtrans-81.2-32-174.3-80.5-46.8000115.7Q127 F128 D129 K135Q127-N131 WeakPolarHBondContact O-CB 3.16Å; Q127-N131 PolarHBondContact O-N 2.84Å; Q127-N131 PolarHBondContact O-ND2 3.14Å; Q127-N131 VanDerWaalsContact O-ND2 3.12Å; F128-N131 PolarHBondContact O-N 3.15Å; D129-N131 VanDerWaalsContact C-N 3.31Å; D129-N131 PolarHBondContact O-N 2.91Å; N131-K135 WeakPolarHBondContact O-CD 3.45Å; N131-K135 WeakPolarHBondContact O-CE 3.49Å; N131-K135 PolarHBondContact O-NZ 3.47Å; N131-K135 PolarHBondContact OD1-NZ 2.84Å
132Y69.8Low66.9Low154 Ų154108.1 Ų108.160%0.60450%0.503SS*.Iπ-helixtrans-121.6-59.8-174.6-60-80.4000111F128 S134 K135 L136F128-Y132 AromaticContact CD2-CD2 3.46Å; F128-Y132 HydrophobicContact CD2-CD2 3.46Å; F128-Y132 VanDerWaalsContact CD2-CD2 3.46Å; F128-Y132 AromaticContact CD2-CE2 3.99Å; F128-Y132 HydrophobicContact CD2-CE2 3.99Å; F128-Y132 HydrophobicContact CD2-CG 4.32Å; F128-Y132 AromaticContact CE2-CD2 3.66Å; F128-Y132 HydrophobicContact CE2-CD2 3.66Å; F128-Y132 HydrophobicContact CE2-CE2 4.27Å; F128-Y132 HydrophobicContact CE2-CG 4.12Å; F128-Y132 HydrophobicContact CG-CD2 4.19Å; F128-Y132 WeakPolarHBondContact O-CB 3.38Å; F128-Y132 PolarHBondContact O-N 3.02Å; Y132-S134 PolarHBondContact O-N 3.28Å; Y132-K135 PolarHBondContact O-N 3.29Å; Y132-L136 VanDerWaalsContact O-CB 3.3Å; Y132-L136 WeakPolarHBondContact O-CB 3.24Å; Y132-L136 PolarHBondContact O-N 3.41Å
133L69.3Low66.3Low61 Ų61110 Ų11032%0.31951%0.511SS..Iπ-helixtrans-63.6-44.7-171.4-146.778.2000112.1F128 D129 K135 L136 L137F128-L133 PolarHBondContact O-N 2.96Å; D129-L133 HydrophobicContact CB-CB 4.49Å; D129-L133 CarbonylContact O-C 3.59Å; D129-L133 PolarHBondContact O-N 3.33Å; D129-L133 VanDerWaalsContact O-N 3.07Å; D129-L133 WeakPolarHBondContact OD1-CD2 3.27Å; L133-K135 PolarHBondContact O-N 3.46Å; L133-L136 PolarHBondContact O-N 2.78Å; L133-L137 HydrophobicContact CD1-CD1 4.48Å; L133-L137 HydrophobicContact CD2-CD1 4.21Å; L133-L137 HydrophobicContact CG-CD1 3.8Å; L133-L137 HydrophobicContact CG-CG 4.47Å; L133-L137 VanDerWaalsContact O-CB 3.32Å; L133-L137 WeakPolarHBondContact O-CB 3.2Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.11Å; L133-L137 PolarHBondContact O-N 3.38Å
134S65.9Low65.6Low9 Ų9117.6 Ų117.66%0.06354%0.535CS..Hα-helixtrans-66.3-37.3177.793.80000112D129 K130 Y132 L136 L138D129-S134 WeakPolarHBondContact O-CB 3.3Å; D129-S134 PolarHBondContact O-N 3.48Å; K130-S134 PolarHBondContact O-OG 3.4Å; Y132-S134 PolarHBondContact O-N 3.28Å; S134-L136 VanDerWaalsContact C-N 3.33Å; S134-L138 WeakPolarHBondContact O-CA 3.06Å; S134-L138 WeakPolarHBondContact O-CB 3.28Å; S134-L138 PolarHBondContact O-N 2.8Å
135K68.9Low64.9Low142 Ų142118.5 Ų118.562%0.61754%0.539SS*.Hα-helixtrans-73.8-25.5177.2-58.4-173.5-161.6141.70112.6N131 Y132 L133N131-K135 WeakPolarHBondContact O-CD 3.45Å; N131-K135 WeakPolarHBondContact O-CE 3.49Å; N131-K135 PolarHBondContact O-NZ 3.47Å; N131-K135 PolarHBondContact OD1-NZ 2.84Å; Y132-K135 PolarHBondContact O-N 3.29Å; L133-K135 PolarHBondContact O-N 3.46Å
136L68.3Low64.7Low146 Ų146113.5 Ų113.576%0.76453%0.53SS*.Hα-helixtrans-84-37.9177.2-162.478.3000112.3Y132 L133 S134Y132-L136 VanDerWaalsContact O-CB 3.3Å; Y132-L136 WeakPolarHBondContact O-CB 3.24Å; Y132-L136 PolarHBondContact O-N 3.41Å; L133-L136 PolarHBondContact O-N 2.78Å; S134-L136 VanDerWaalsContact C-N 3.33Å
137L63.5Low64.7Low126 Ų126118.8 Ų118.866%0.6656%0.555SS**Hα-helixtrans-100.5-33.9-173.2-58.8179.1000114.1L133L133-L137 HydrophobicContact CD1-CD1 4.48Å; L133-L137 HydrophobicContact CD2-CD1 4.21Å; L133-L137 HydrophobicContact CG-CD1 3.8Å; L133-L137 HydrophobicContact CG-CG 4.47Å; L133-L137 VanDerWaalsContact O-CB 3.32Å; L133-L137 WeakPolarHBondContact O-CB 3.2Å; L133-L137 VanDerWaalsContact O-CG 3.31Å; L133-L137 WeakPolarHBondContact O-CG 3.11Å; L133-L137 PolarHBondContact O-N 3.38Å
138L62.4Low64.6Low78 Ų78119.9 Ų119.941%0.40856%0.563SS.*SBendtrans-89.6111.4179.9-56.8177.8000111S134 V142 Y143S134-L138 WeakPolarHBondContact O-CA 3.06Å; S134-L138 WeakPolarHBondContact O-CB 3.28Å; S134-L138 PolarHBondContact O-N 2.8Å; L138-V142 HydrophobicContact CD2-CG1 4.27Å; L138-Y143 HydrophobicContact CD1-CD2 4.4Å
139R58.3Low64.4Low211 Ų211122.2 Ų122.280%0.79657%0.569SS**  trans-59.3138.8167-174.6171.6-72.5-132.8-1.2109.5S141 V142R139-S141 PolarHBondContact O-N 2.97Å; R139-V142 PolarHBondContact O-N 2.8Å
140K53.7Low64.5Low201 Ų201124.1 Ų124.187%0.87458%0.576SS**THydrogen-bonded Turntrans-46.9-22-169.1-70.4-177.2176179.60117.1
141S56.2Low64.8Low89 Ų89121.9 Ų121.962%0.62258%0.575SS**THydrogen-bonded Turntrans-69.6-29176.345.80000114.3R139R139-S141 PolarHBondContact O-N 2.97Å
142V53.6Low65.2Low91 Ų91124.4 Ų124.455%0.55258%0.58SS**SBendtrans-85.9-19.7-172.2-174.40000112.8L138 R139 R144L138-V142 HydrophobicContact CD2-CG1 4.27Å; R139-V142 PolarHBondContact O-N 2.8Å; V142-R144 CarbonylContact O-C 3.59Å; V142-R144 PolarHBondContact O-N 3.24Å
143Y50.7Low65.7Low153 Ų153121.3 Ų121.360%0.657%0.571SS**SBendtrans-72.8-17.3179.4-152.1-85.9000113.1L138 K145L138-Y143 HydrophobicContact CD1-CD2 4.4Å; Y143-K145 VanDerWaalsContact C-N 3.34Å; Y143-K145 PolarHBondContact O-N 3.26Å
144R52.2Low66.6Low220 Ų220125.2 Ų125.283%0.8359%0.585SS**SBendtrans-72.296157.6-68.7-168.4-161.4176.16.1107.9V142 S146V142-R144 CarbonylContact O-C 3.59Å; V142-R144 PolarHBondContact O-N 3.24Å; R144-S146 PolarHBondContact O-N 2.84Å; R144-S146 VanDerWaalsContact O-N 3.12Å
145K54.7Low67.5Low138 Ų138128.9 Ų128.960%0.660%0.603SS**  trans-50.2120.3146.2-67.6-176.8-178-178.30106.6Y143 E150Y143-K145 VanDerWaalsContact C-N 3.34Å; Y143-K145 PolarHBondContact O-N 3.26Å; K145-E150 HydrophobicContact CB-CG 4.49Å; K145-E150 HydrophobicContact CD-CG 4.15Å; K145-E150 WeakPolarHBondContact CD-OE1 3.42Å; K145-E150 IonicContact NZ-OE1 3.43Å; K145-E150 PolarHBondContact NZ-OE1 2.82Å
146S60.1Low68.1Low63 Ų63126.1 Ų126.144%0.44160%0.595SS.*  trans-64.8140.6171.4500000108.5R144 L148 W149 E150R144-S146 PolarHBondContact O-N 2.84Å; R144-S146 VanDerWaalsContact O-N 3.12Å; S146-L148 PolarHBondContact O-N 2.88Å; S146-L148 VanDerWaalsContact O-N 3.1Å; S146-W149 WeakPolarHBondContact O-CB 3.46Å; S146-W149 PolarHBondContact O-N 3.39Å; S146-E150 PolarHBondContact O-N 2.99Å
147E70.7Confident68.8Low175 Ų175123.4 Ų123.482%0.81858%0.581SS**Hα-helixtrans-56.7-28.7174.5-61.1-178.8149.100110.9W149 E150 A151E147-W149 VanDerWaalsContact C-N 3.32Å; E147-W149 PolarHBondContact O-N 3.42Å; E147-E150 PolarHBondContact O-N 3.12Å; E147-A151 VanDerWaalsContact O-CB 3.25Å; E147-A151 WeakPolarHBondContact O-CB 3.45Å; E147-A151 PolarHBondContact O-N 3.18Å
148L73.5Confident69.8Low135 Ų135125 Ų12571%0.70758%0.578SS**Hα-helixtrans-53.7-40.5168.8-176.165.4000113.7S146 Y152S146-L148 PolarHBondContact O-N 2.88Å; S146-L148 VanDerWaalsContact O-N 3.1Å; L148-Y152 WeakPolarHBondContact O-CB 3.42Å; L148-Y152 PolarHBondContact O-N 2.87Å
149W74.6Confident70.5Confident145 Ų145125 Ų12555%0.54958%0.578SS.*Hα-helixtrans-70.5-42.3177.4-179.5-90.6000111.6S146 E147 Y152 Q153S146-W149 WeakPolarHBondContact O-CB 3.46Å; S146-W149 PolarHBondContact O-N 3.39Å; E147-W149 VanDerWaalsContact C-N 3.32Å; E147-W149 PolarHBondContact O-N 3.42Å; W149-Y152 PolarHBondContact O-N 2.82Å; W149-Q153 VanDerWaalsContact O-CB 3.31Å; W149-Q153 WeakPolarHBondContact O-CB 3.4Å; W149-Q153 PolarHBondContact O-N 3.38Å
150E78.9Confident71.3Confident96 Ų96117.4 Ų117.445%0.44956%0.561SS.*Hα-helixtrans-71.8-34178.6-57.8-155.1145.500111.5K145 S146 E147 K154K145-E150 HydrophobicContact CB-CG 4.49Å; K145-E150 HydrophobicContact CD-CG 4.15Å; K145-E150 WeakPolarHBondContact CD-OE1 3.42Å; K145-E150 IonicContact NZ-OE1 3.43Å; K145-E150 PolarHBondContact NZ-OE1 2.82Å; S146-E150 PolarHBondContact O-N 2.99Å; E147-E150 PolarHBondContact O-N 3.12Å; E150-K154 WeakPolarHBondContact O-CB 3.11Å; E150-K154 PolarHBondContact O-N 3.47Å
151A81.4Confident72.4Confident45 Ų45112.9 Ų112.937%0.37255%0.545SS..Hα-helixtrans-63.5-48.2169.100000111.7E147 Q153 K154 I155E147-A151 VanDerWaalsContact O-CB 3.25Å; E147-A151 WeakPolarHBondContact O-CB 3.45Å; E147-A151 PolarHBondContact O-N 3.18Å; A151-Q153 PolarHBondContact O-N 3.31Å; A151-K154 PolarHBondContact O-N 3.5Å; A151-I155 WeakPolarHBondContact O-CB 3.34Å; A151-I155 VanDerWaalsContact O-CG1 3.27Å; A151-I155 WeakPolarHBondContact O-CG1 3.13Å; A151-I155 PolarHBondContact O-N 3.44Å
152Y81.7Confident73.2Confident134 Ų134110.6 Ų110.653%0.52553%0.529SS..Hα-helixtrans-59.8-46.2176.2177.4-103.6000111.9L148 W149 K154 I155 N156L148-Y152 WeakPolarHBondContact O-CB 3.42Å; L148-Y152 PolarHBondContact O-N 2.87Å; W149-Y152 PolarHBondContact O-N 2.82Å; Y152-K154 VanDerWaalsContact C-N 3.34Å; Y152-K154 PolarHBondContact O-N 2.89Å; Y152-I155 PolarHBondContact O-N 2.8Å; Y152-N156 VanDerWaalsContact O-CB 3.3Å; Y152-N156 WeakPolarHBondContact O-CB 3.21Å; Y152-N156 PolarHBondContact O-N 2.69Å
153Q81.1Confident74.3Confident90 Ų90111 Ų11142%0.42153%0.532SS..Hα-helixtrans-63.3-39.4176.2-176.1173.1-9.300111.9W149 A151 I157W149-Q153 VanDerWaalsContact O-CB 3.31Å; W149-Q153 WeakPolarHBondContact O-CB 3.4Å; W149-Q153 PolarHBondContact O-N 3.38Å; A151-Q153 PolarHBondContact O-N 3.31Å; Q153-I157 HydrophobicContact CG-CD1 3.84Å; Q153-I157 WeakPolarHBondContact O-CB 3.49Å; Q153-I157 VanDerWaalsContact O-CG1 3.23Å; Q153-I157 WeakPolarHBondContact O-CG1 3Å; Q153-I157 PolarHBondContact O-N 3.13Å
154K87.5Confident75.1Confident142 Ų142110.3 Ų110.362%0.61754%0.537SS*.Hα-helixtrans-68.7-35.1177.3-176177.1-175.6176.50113E150 A151 Y152 R158E150-K154 WeakPolarHBondContact O-CB 3.11Å; E150-K154 PolarHBondContact O-N 3.47Å; A151-K154 PolarHBondContact O-N 3.5Å; Y152-K154 VanDerWaalsContact C-N 3.34Å; Y152-K154 PolarHBondContact O-N 2.89Å; K154-R158 VanDerWaalsContact O-CB 3.28Å; K154-R158 WeakPolarHBondContact O-CB 3.28Å; K154-R158 PolarHBondContact O-N 2.86Å; K154-R158 VanDerWaalsContact O-N 3.13Å
155I85.9Confident75.9Confident87 Ų87106.6 Ų106.645%0.44653%0.533SS..Hα-helixtrans-67.5-55.9171.7-70.1163000109.1A151 Y152 I157 R158 D159A151-I155 WeakPolarHBondContact O-CB 3.34Å; A151-I155 VanDerWaalsContact O-CG1 3.27Å; A151-I155 WeakPolarHBondContact O-CG1 3.13Å; A151-I155 PolarHBondContact O-N 3.44Å; Y152-I155 PolarHBondContact O-N 2.8Å; I155-I157 VanDerWaalsContact C-N 3.29Å; I155-I157 PolarHBondContact O-N 2.95Å; I155-R158 CarbonylContact O-C 3.56Å; I155-R158 WeakPolarHBondContact O-CA 3.45Å; I155-R158 WeakPolarHBondContact O-CB 3.48Å; I155-R158 PolarHBondContact O-N 3.36Å; I155-D159 VanDerWaalsContact CG2-OD2 3.24Å; I155-D159 WeakPolarHBondContact CG2-OD2 3.25Å; I155-D159 PolarHBondContact O-N 3.43Å
156N81.8Confident76.3Confident83 Ų83106.9 Ų106.944%0.44454%0.537SS..Hα-helixtrans-58.5-37.5-176.9-160.5-7.4000112.8Y152 A160Y152-N156 VanDerWaalsContact O-CB 3.3Å; Y152-N156 WeakPolarHBondContact O-CB 3.21Å; Y152-N156 PolarHBondContact O-N 2.69Å; N156-A160 WeakPolarHBondContact O-CB 2.99Å; N156-A160 PolarHBondContact O-N 2.71Å; N156-A160 VanDerWaalsContact O-N 3.07Å
157I83.4Confident75.7Confident90 Ų90104.9 Ų104.946%0.46253%0.526SS..Hα-helixtrans-68.1-42.7171.8-70169.1000112Q153 I155 I161Q153-I157 HydrophobicContact CG-CD1 3.84Å; Q153-I157 WeakPolarHBondContact O-CB 3.49Å; Q153-I157 VanDerWaalsContact O-CG1 3.23Å; Q153-I157 WeakPolarHBondContact O-CG1 3Å; Q153-I157 PolarHBondContact O-N 3.13Å; I155-I157 VanDerWaalsContact C-N 3.29Å; I155-I157 PolarHBondContact O-N 2.95Å; I157-I161 HydrophobicContact CG2-CD1 3.79Å; I157-I161 WeakPolarHBondContact O-CB 3.14Å; I157-I161 WeakPolarHBondContact O-CD1 3.31Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.43Å; I157-I161 PolarHBondContact O-N 2.73Å
158R82.6Confident74.8Confident158 Ų15899.8 Ų99.860%0.59652%0.521SS*.Hα-helixtrans-62.7-44.3176.8174.4-175.5-70169.9-7.2111.2K154 I155 I161 S162K154-R158 VanDerWaalsContact O-CB 3.28Å; K154-R158 WeakPolarHBondContact O-CB 3.28Å; K154-R158 PolarHBondContact O-N 2.86Å; K154-R158 VanDerWaalsContact O-N 3.13Å; I155-R158 CarbonylContact O-C 3.56Å; I155-R158 WeakPolarHBondContact O-CA 3.45Å; I155-R158 WeakPolarHBondContact O-CB 3.48Å; I155-R158 PolarHBondContact O-N 3.36Å; R158-I161 PolarHBondContact O-N 2.95Å; R158-S162 WeakPolarHBondContact O-CB 3.41Å; R158-S162 PolarHBondContact O-N 2.89Å; R158-S162 PolarHBondContact O-OG 3.15Å
159D78.9Confident73.8Confident78 Ų7899 Ų9942%0.41752%0.517SS..Hα-helixtrans-65-48.2-177.5-62.3-8000109.5I155 I161 S162 V163I155-D159 VanDerWaalsContact CG2-OD2 3.24Å; I155-D159 WeakPolarHBondContact CG2-OD2 3.25Å; I155-D159 PolarHBondContact O-N 3.43Å; D159-I161 VanDerWaalsContact C-N 3.32Å; D159-I161 PolarHBondContact O-N 2.82Å; D159-S162 WeakPolarHBondContact CA-OG 3.3Å; D159-S162 PolarHBondContact O-N 3.23Å; D159-S162 VanDerWaalsContact O-N 3.08Å; D159-S162 PolarHBondContact O-OG 3.43Å; D159-V163 WeakPolarHBondContact O-CG2 3.35Å; D159-V163 PolarHBondContact O-N 2.85Å
160A74.8Confident72.7Confident52 Ų5296.8 Ų96.843%0.4352%0.519SS..Hα-helixtrans-56.9-40.9173.300000113.2N156 I164N156-A160 WeakPolarHBondContact O-CB 2.99Å; N156-A160 PolarHBondContact O-N 2.71Å; N156-A160 VanDerWaalsContact O-N 3.07Å; A160-I164 WeakPolarHBondContact O-CD1 3.36Å; A160-I164 WeakPolarHBondContact O-CG1 3.2Å; A160-I164 PolarHBondContact O-N 2.82Å
161I75.5Confident71.3Confident106 Ų106100 Ų10054%0.54454%0.539SS..Hα-helixtrans-65.8-44.5173.9-70.1166.5000110.7I157 R158 D159 V163 I164 D165I157-I161 HydrophobicContact CG2-CD1 3.79Å; I157-I161 WeakPolarHBondContact O-CB 3.14Å; I157-I161 WeakPolarHBondContact O-CD1 3.31Å; I157-I161 VanDerWaalsContact O-CG1 3.24Å; I157-I161 WeakPolarHBondContact O-CG1 3.43Å; I157-I161 PolarHBondContact O-N 2.73Å; R158-I161 PolarHBondContact O-N 2.95Å; D159-I161 VanDerWaalsContact C-N 3.32Å; D159-I161 PolarHBondContact O-N 2.82Å; I161-V163 VanDerWaalsContact C-N 3.33Å; I161-V163 PolarHBondContact O-N 3.43Å; I161-I164 PolarHBondContact O-N 2.95Å; I161-I164 VanDerWaalsContact O-N 3.1Å; I161-D165 WeakPolarHBondContact O-CB 3.09Å; I161-D165 PolarHBondContact O-N 3.12Å
162S73.9Confident69.6Low42 Ų42102.9 Ų102.929%0.29455%0.552SS.*Hα-helixtrans-66.1-32.2-179.271.70000113.3R158 D159 I164 D165 Q166R158-S162 WeakPolarHBondContact O-CB 3.41Å; R158-S162 PolarHBondContact O-N 2.89Å; R158-S162 PolarHBondContact O-OG 3.15Å; D159-S162 WeakPolarHBondContact CA-OG 3.3Å; D159-S162 PolarHBondContact O-N 3.23Å; D159-S162 VanDerWaalsContact O-N 3.08Å; D159-S162 PolarHBondContact O-OG 3.43Å; S162-I164 VanDerWaalsContact C-N 3.33Å; S162-D165 PolarHBondContact O-N 3.06Å; S162-Q166 WeakPolarHBondContact O-CB 3.3Å; S162-Q166 VanDerWaalsContact O-CG 3.31Å; S162-Q166 WeakPolarHBondContact O-CG 3.27Å; S162-Q166 PolarHBondContact O-N 3.38Å
163V75.8Confident67.6Low100 Ų100101 Ų10161%0.60656%0.558SS**Hα-helixtrans-65.9-36.4172169.20000111.2D159 I161 G167D159-V163 WeakPolarHBondContact O-CG2 3.35Å; D159-V163 PolarHBondContact O-N 2.85Å; I161-V163 VanDerWaalsContact C-N 3.33Å; I161-V163 PolarHBondContact O-N 3.43Å; V163-G167 VanDerWaalsContact O-CA 3.28Å; V163-G167 WeakPolarHBondContact O-CA 3.48Å; V163-G167 PolarHBondContact O-N 3.35Å
164I68.5Low65.9Low138 Ų138101.2 Ų101.271%0.70858%0.575SS**Hα-helixtrans-73.5-33.6175.6-65.7165.1000111.5A160 I161 S162 G167A160-I164 WeakPolarHBondContact O-CD1 3.36Å; A160-I164 WeakPolarHBondContact O-CG1 3.2Å; A160-I164 PolarHBondContact O-N 2.82Å; I161-I164 PolarHBondContact O-N 2.95Å; I161-I164 VanDerWaalsContact O-N 3.1Å; S162-I164 VanDerWaalsContact C-N 3.33Å; I164-G167 WeakPolarHBondContact O-CA 3.32Å
165D68.1Low63.8Low141 Ų141105.4 Ų105.475%0.75459%0.587SS**Hα-helixtrans-80.3-39.3-177.5-159.551.4000112.9I161 S162I161-D165 WeakPolarHBondContact O-CB 3.09Å; I161-D165 PolarHBondContact O-N 3.12Å; S162-D165 PolarHBondContact O-N 3.06Å
166Q63.4Low61.6Low145 Ų145108.9 Ų108.968%0.67861%0.606SS**Hα-helixtrans-70.9-41.2168.1-65.8175.65.700110.5S162S162-Q166 WeakPolarHBondContact O-CB 3.3Å; S162-Q166 VanDerWaalsContact O-CG 3.31Å; S162-Q166 WeakPolarHBondContact O-CG 3.27Å; S162-Q166 PolarHBondContact O-N 3.38Å
167G48.3Very low59.3Low20 Ų20110.2 Ų110.221%0.20662%0.622CS.*G310 helixtrans78.8-174.2135.100000118.7V163 I164 N169 V170V163-G167 VanDerWaalsContact O-CA 3.28Å; V163-G167 WeakPolarHBondContact O-CA 3.48Å; V163-G167 PolarHBondContact O-N 3.35Å; I164-G167 WeakPolarHBondContact O-CA 3.32Å; G167-N169 PolarHBondContact O-N 2.58Å; G167-V170 PolarHBondContact O-N 2.73Å
168G51.9Low56.9Low69 Ų69114 Ų11471%0.71164%0.642SS**G310 helixtrans-65.49.417600000115.2
169N52.4Low54.7Low118 Ų118112.1 Ų112.163%0.63165%0.65SS**G310 helixtrans-97.1-13.5-179.9-70.9-20.2000113.4G167 L171 T172 S173G167-N169 PolarHBondContact O-N 2.58Å; N169-L171 VanDerWaalsContact C-N 3.28Å; N169-L171 PolarHBondContact O-N 2.76Å; N169-T172 PolarHBondContact O-N 2.93Å; N169-S173 PolarHBondContact O-OG 2.9Å
170V50.6Low52.8Low98 Ų98114 Ų11459%0.59467%0.669SS**Hα-helixtrans-62.8-35.9178.7-176.30000111.7G167 T172G167-V170 PolarHBondContact O-N 2.73Å; V170-T172 PolarHBondContact O-N 2.75Å
171L49.8Very low50.8Low164 Ų164120.2 Ų120.286%0.85969%0.692SS**Hα-helixtrans-66.6-19.2-179.8-64.1178000114.2N169N169-L171 VanDerWaalsContact C-N 3.28Å; N169-L171 PolarHBondContact O-N 2.76Å
172T45Very low48.7Very low105 Ų105119.3 Ų119.364%0.64470%0.7SS**Hα-helixtrans-93.5-30.5-176.2-44.10000112.2N169 V170N169-T172 PolarHBondContact O-N 2.93Å; V170-T172 PolarHBondContact O-N 2.75Å
173S41Very low46.9Very low95 Ų95122.7 Ų122.766%0.66472%0.724SS**Hα-helixtrans-85.6-22.8-168.1-57.70000114.4N169 R175N169-S173 PolarHBondContact O-OG 2.9Å; S173-R175 PolarHBondContact O-N 2.83Å
174A43.9Very low45Very low94 Ų94129.9 Ų129.978%0.77774%0.74SS**THydrogen-bonded Turntrans-71.54-176.400000115.1
175R43.2Very low43.2Very low230 Ų230127.5 Ų127.587%0.86874%0.741SS**THydrogen-bonded Turntrans-95.77.8-169.1-132.2176.9-167.9161.67115.9S173S173-R175 PolarHBondContact O-N 2.83Å
176L41.1Very low41.7Very low161 Ų161125.1 Ų125.184%0.84374%0.736SS**  trans-138.967.8-172.4-68.5176.1000114.1
177S33.6Very low40.2Very low111 Ų111127.5 Ų127.578%0.77674%0.744SS**  trans-168.896.7150.217.70000114.7
178L31.6Very low40.1Very low168 Ų168130.8 Ų130.888%0.8876%0.761SS**  trans65165.5152.4-53.5174000118.4
179P38Very low39.7Very low119 Ų119136.3 Ų136.377%0.77377%0.769SS**  cis-118.7178.1-45.336.8-24.8000112
180S38Very low39.5Very low117 Ų117136.3 Ų136.382%0.81877%0.773SS**  trans-70.3129.3-179.8-178.60000113.8
181M32.6Very low39.4Very low184 Ų184135.4 Ų135.491%0.90677%0.768SS**  trans-148.4151.1146.1-82.9-130.674.900109.7
182A32.3Very low39.4Very low86 Ų86132.4 Ų132.471%0.71175%0.753SS**  trans-107.6126.8-168.200000114.3
183S35.4Very low39.6Very low113 Ų113132.7 Ų132.779%0.7975%0.754SS**  trans45.2102.2139.3-54.30000120.2
184R36.2Very low40Very low251 Ų251132 Ų13295%0.94775%0.746SS**  -176.5164117-102.2161171.5150.6-2.4113.2
185A30.1Very low40.3Very low89 Ų89131 Ų13174%0.73673%0.728SS**  trans71.692.7171.800000118.6
186S37Very low40.7Very low91 Ų91128.4 Ų128.464%0.63672%0.719SS**  28.9145.6128.357.20000123
187F32.6Very low41.1Very low195 Ų195126.6 Ų126.686%0.85571%0.709SS**  trans99.9151.5166.3-58.1-64.4000115.7
188P45.3Very low41.9Very low88 Ų88129.7 Ų129.757%0.57170%0.704SS**  -95.2130.3-125.633.4-37.7000116.7V190P188-V190 PolarHBondContact O-N 3.23Å
189E43.9Very low42.6Very low186 Ų186129.3 Ų129.387%0.86970%0.698SS**THydrogen-bonded Turntrans-83.252.4179.2-158.517717000113.1
190V48.2Very low43Very low117 Ų117129.8 Ų129.871%0.70969%0.694SS**THydrogen-bonded Turntrans-127.7-27.8178.5-1730000112.4P188 N192P188-V190 PolarHBondContact O-N 3.23Å; V190-N192 PolarHBondContact O-N 2.84Å
191T48.8Very low43.3Very low79 Ų79127.6 Ų127.649%0.48569%0.689SS.*Hα-helixtrans-79.9-15.5-173.844.90000115.3N195T191-N195 PolarHBondContact O-N 3.39Å; T191-N195 PolarHBondContact O-ND2 3.4Å
192N49.1Very low43.8Very low102 Ų102122.9 Ų122.955%0.54567%0.674SS.*Hα-helixtrans-76.8-37.1-166.9-65-10.8000112.9V190 T194 N195 Y196V190-N192 PolarHBondContact O-N 2.84Å; N192-T194 VanDerWaalsContact C-N 3.32Å; N192-T194 PolarHBondContact O-N 3.1Å; N192-N195 PolarHBondContact O-N 3.46Å; N192-Y196 PolarHBondContact O-N 2.75Å
193V50.2Low44.5Very low110 Ų110122.8 Ų122.867%0.66768%0.682SS**Hα-helixtrans-64.8-39176-175.70000110.9N195 Y196 L197V193-N195 VanDerWaalsContact C-N 3.32Å; V193-N195 PolarHBondContact O-N 2.86Å; V193-Y196 PolarHBondContact O-N 2.96Å; V193-L197 PolarHBondContact O-N 3.33Å
194T49.9Very low45Very low82 Ų82122 Ų12250%0.50367%0.673SS.*Hα-helixtrans-68.7-29.2-179.7-26.20000112.9N192N192-T194 VanDerWaalsContact C-N 3.32Å; N192-T194 PolarHBondContact O-N 3.1Å
195N49.9Very low45.3Very low73 Ų73116.5 Ų116.539%0.3967%0.671SS.*Hα-helixtrans-79.6-38.1176.2-76.1-27.9000112.4T191 N192 V193 L197 R198 E199T191-N195 PolarHBondContact O-N 3.39Å; T191-N195 PolarHBondContact O-ND2 3.4Å; N192-N195 PolarHBondContact O-N 3.46Å; V193-N195 VanDerWaalsContact C-N 3.32Å; V193-N195 PolarHBondContact O-N 2.86Å; N195-L197 VanDerWaalsContact C-N 3.29Å; N195-L197 PolarHBondContact O-N 3.07Å; N195-R198 WeakPolarHBondContact O-CA 3.23Å; N195-R198 WeakPolarHBondContact O-CB 3.37Å; N195-R198 PolarHBondContact O-N 2.91Å; N195-R198 PolarHBondContact OD1-NH1 2.88Å; N195-E199 PolarHBondContact O-N 3.25Å; N195-E199 VanDerWaalsContact O-N 3.13Å
196Y50.6Low45.9Very low174 Ų174119.4 Ų119.468%0.68267%0.673SS**Hα-helixtrans-60.8-36.5175.9-109.5-80.5000113.2N192 V193 R198N192-Y196 PolarHBondContact O-N 2.75Å; V193-Y196 PolarHBondContact O-N 2.96Å; Y196-R198 VanDerWaalsContact C-N 3.29Å; Y196-R198 PolarHBondContact O-N 3.26Å
197L49.5Very low46.2Very low123 Ų123120.9 Ų120.964%0.64467%0.674SS**Hα-helixtrans-74.3-18.4173.8-67.6173.6000113.4V193 N195V193-L197 PolarHBondContact O-N 3.33Å; N195-L197 VanDerWaalsContact C-N 3.29Å; N195-L197 PolarHBondContact O-N 3.07Å
198R50.3Low47Very low176 Ų176117.7 Ų117.766%0.66467%0.665SS**Hα-helixtrans-83.4-35.4179.3179.6178.5-73.7149.2-7.1112.7N195 Y196N195-R198 WeakPolarHBondContact O-CA 3.23Å; N195-R198 WeakPolarHBondContact O-CB 3.37Å; N195-R198 PolarHBondContact O-N 2.91Å; N195-R198 PolarHBondContact OD1-NH1 2.88Å; Y196-R198 VanDerWaalsContact C-N 3.29Å; Y196-R198 PolarHBondContact O-N 3.26Å
199E46.9Very low47Very low161 Ų161121.4 Ų121.475%0.75268%0.675SS**Hα-helixtrans-70.1-33.1175.7-74.9-166.3122.200112.7N195 G201N195-E199 PolarHBondContact O-N 3.25Å; N195-E199 VanDerWaalsContact O-N 3.13Å; E199-G201 PolarHBondContact O-N 3.01Å
200N45.9Very low47Very low129 Ų129118.6 Ų118.669%0.6967%0.67SS**THydrogen-bonded Turntrans-73.720.1-178.2-75.21.8000115S202N200-S202 PolarHBondContact O-N 2.79Å
201G43.8Very low46.8Very low70 Ų70118.2 Ų118.272%0.72266%0.663SS**THydrogen-bonded Turntrans69.82.116400000117.6E199 G203E199-G201 PolarHBondContact O-N 3.01Å; G201-G203 PolarHBondContact O-N 2.89Å
202S44Very low46.3Very low85 Ų85121.3 Ų121.359%0.59468%0.677SS**  trans-83.499.7179.6-168.40000111.4N200 V204N200-S202 PolarHBondContact O-N 2.79Å; S202-V204 PolarHBondContact O-N 2.84Å
203G47.5Very low46.1Very low84 Ų84122.2 Ų122.287%0.86668%0.681SS**  trans-72.244.5-17900000115.4G201G201-G203 PolarHBondContact O-N 2.89Å
204V44.7Very low45.7Very low98 Ų98122.6 Ų122.659%0.59468%0.684SS**  trans-115.697.9-175.1-178.40000110.5S202 L206S202-V204 PolarHBondContact O-N 2.84Å; V204-L206 VanDerWaalsContact C-N 3.29Å; V204-L206 HydrophobicContact CG1-CD1 4.21Å; V204-L206 HydrophobicContact CG1-CG 3.99Å; V204-L206 PolarHBondContact O-N 3.46Å
205C42.4Very low45.7Very low135 Ų135124.9 Ų124.991%0.91270%0.7SS**  trans-7679.2169.8-64.80000110.8D207C205-D207 PolarHBondContact O-N 3.35Å
206L43.2Very low45.2Very low150 Ų150123.1 Ų123.179%0.78570%0.699SS**  trans-76.1104.3161.1-86.6165.8000108.7V204 L208V204-L206 VanDerWaalsContact C-N 3.29Å; V204-L206 HydrophobicContact CG1-CD1 4.21Å; V204-L206 HydrophobicContact CG1-CG 3.99Å; V204-L206 PolarHBondContact O-N 3.46Å; L206-L208 PolarHBondContact O-N 3.24Å
207D44.1Very low45.3Very low121 Ų121119.7 Ų119.765%0.64770%0.701SS**  trans-70.1107.6174.7-177.86000110.2C205 Q209C205-D207 PolarHBondContact O-N 3.35Å; D207-Q209 WeakPolarHBondContact OD1-CB 3.44Å; D207-Q209 PolarHBondContact OD1-N 2.9Å
208L49.7Very low45.4Very low129 Ų129120.7 Ų120.768%0.67570%0.7SS**  trans-105.913.3-179.5-159.760.2000112.5L206 V210 I211L206-L208 PolarHBondContact O-N 3.24Å; L208-V210 PolarHBondContact O-N 3.49Å; L208-I211 HydrophobicContact CD1-CD1 3.64Å; L208-I211 HydrophobicContact CD1-CG1 4.04Å; L208-I211 HydrophobicContact CG-CD1 4.45Å; L208-I211 PolarHBondContact O-N 2.85Å
209Q45.5Very low45.6Very low165 Ų165116 Ų11677%0.77169%0.691SS**THydrogen-bonded Turntrans-72.216.8178.8-60.1-163-54.700114.2D207D207-Q209 WeakPolarHBondContact OD1-CB 3.44Å; D207-Q209 PolarHBondContact OD1-N 2.9Å
210V42.3Very low46Very low128 Ų128114.1 Ų114.178%0.77668%0.682SS**THydrogen-bonded Turntrans-111.28.8-179.9-168.10000111.8L208L208-V210 PolarHBondContact O-N 3.49Å
211I44.3Very low46.6Very low109 Ų109113.5 Ų113.556%0.55968%0.675SS**  trans-120.836.8172.5-33.7-175.6000112.2L208 N213L208-I211 HydrophobicContact CD1-CD1 3.64Å; L208-I211 HydrophobicContact CD1-CG1 4.04Å; L208-I211 HydrophobicContact CG-CD1 4.45Å; L208-I211 PolarHBondContact O-N 2.85Å; I211-N213 PolarHBondContact O-N 3.19Å
212D39Very low47.1Very low144 Ų144114.8 Ų114.877%0.7767%0.665SS**  trans-73.659.7158.8-82.3-30.6000110.4V214D212-V214 VanDerWaalsContact C-N 3.28Å; D212-V214 PolarHBondContact O-N 3.19Å
213N44.1Very low48Very low120 Ų120116.2 Ų116.264%0.64266%0.664SS**  trans-71.985.2170-86.8-13.2000109I211 P215I211-N213 PolarHBondContact O-N 3.19Å; N213-P215 WeakPolarHBondContact O-CD 3.35Å
214V43.2Very low48.6Very low118 Ų118118.2 Ų118.272%0.71565%0.651SS**  trans-52.2122.6163.6178.60000107.8D212 G216D212-V214 VanDerWaalsContact C-N 3.28Å; D212-V214 PolarHBondContact O-N 3.19Å; V214-G216 PolarHBondContact O-N 2.97Å
215P48.2Very low49.3Very low130 Ų130116.8 Ų116.884%0.84464%0.642SS**  trans-76.470.7-174.631.1-35.9000111.2N213N213-P215 WeakPolarHBondContact O-CD 3.35Å
216G41.3Very low50.1Low36 Ų36116.7 Ų116.737%0.37163%0.628SS.*  trans-86.7146.7170.600000111.4V214 K218 V219V214-G216 PolarHBondContact O-N 2.97Å; G216-K218 PolarHBondContact O-N 3.07Å; G216-V219 PolarHBondContact O-N 2.88Å
217S51.2Low51Low103 Ų103116.4 Ų116.472%0.7262%0.622SS**Hα-helixtrans-51.6-21.3176.854.80000114.4V219 E220 E221S217-V219 VanDerWaalsContact C-N 3.25Å; S217-V219 PolarHBondContact O-N 2.76Å; S217-E220 VanDerWaalsContact O-CB 3.31Å; S217-E220 WeakPolarHBondContact O-CB 3.23Å; S217-E220 PolarHBondContact O-N 2.97Å; S217-E220 VanDerWaalsContact O-N 3.16Å; S217-E221 PolarHBondContact O-N 3.44Å
218K52.9Low52.1Low143 Ų143114.6 Ų114.662%0.62262%0.616SS**Hα-helixtrans-62.3-26.9176.7-157.6165.1-171169.10114G216 D222G216-K218 PolarHBondContact O-N 3.07Å; K218-D222 WeakPolarHBondContact O-CB 3.37Å; K218-D222 PolarHBondContact O-N 2.93Å
219V53.9Low52.3Low79 Ų79113.3 Ų113.348%0.47961%0.609SS.*Hα-helixtrans-76.7-33.1175-177.50000111.2G216 S217 M223G216-V219 PolarHBondContact O-N 2.88Å; S217-V219 VanDerWaalsContact C-N 3.25Å; S217-V219 PolarHBondContact O-N 2.76Å; V219-M223 VanDerWaalsContact O-CB 3.23Å; V219-M223 WeakPolarHBondContact O-CB 3.32Å; V219-M223 PolarHBondContact O-N 3.23Å
220E54.7Low52.9Low121 Ų121109.4 Ų109.457%0.56560%0.596SS**Hα-helixtrans-64-46.9169.5-15891.9-144.400109.6S217 M223 E224S217-E220 VanDerWaalsContact O-CB 3.31Å; S217-E220 WeakPolarHBondContact O-CB 3.23Å; S217-E220 PolarHBondContact O-N 2.97Å; S217-E220 VanDerWaalsContact O-N 3.16Å; E220-M223 PolarHBondContact O-N 3.47Å; E220-E224 WeakPolarHBondContact O-CB 3.31Å; E220-E224 WeakPolarHBondContact O-CG 3.21Å; E220-E224 PolarHBondContact O-N 3.06Å
221E58.3Low53.7Low115 Ų115105.6 Ų105.654%0.53758%0.583SS.*Hα-helixtrans-63.9-44.4178.9-169174.1-160.700113S217 M223 E224 T225S217-E221 PolarHBondContact O-N 3.44Å; E221-M223 VanDerWaalsContact C-N 3.32Å; E221-M223 PolarHBondContact O-N 3.01Å; E221-E224 PolarHBondContact O-N 3.02Å; E221-T225 WeakPolarHBondContact O-CB 3.31Å; E221-T225 VanDerWaalsContact O-CG2 3.31Å; E221-T225 WeakPolarHBondContact O-CG2 3.38Å; E221-T225 PolarHBondContact O-N 3.34Å; E221-T225 PolarHBondContact O-OG1 2.87Å
222D54.3Low54.3Low97 Ų97106.9 Ų106.952%0.51959%0.591SS.*Hα-helixtrans-64.5-35.3173.4-79.8-15.9000111.6K218 T225 H226K218-D222 WeakPolarHBondContact O-CB 3.37Å; K218-D222 PolarHBondContact O-N 2.93Å; D222-T225 WeakPolarHBondContact CA-OG1 3.31Å; D222-T225 PolarHBondContact O-OG1 2.91Å; D222-T225 VanDerWaalsContact O-OG1 3.06Å; D222-H226 WeakPolarHBondContact O-CB 3.36Å; D222-H226 PolarHBondContact O-N 3.02Å
223M62.8Low55.5Low116 Ų116105.7 Ų105.757%0.57158%0.584SS**Hα-helixtrans-72.9-41.9175.8-176.9169.761.600112.5V219 E220 E221 H226 H227V219-M223 VanDerWaalsContact O-CB 3.23Å; V219-M223 WeakPolarHBondContact O-CB 3.32Å; V219-M223 PolarHBondContact O-N 3.23Å; E220-M223 PolarHBondContact O-N 3.47Å; E221-M223 VanDerWaalsContact C-N 3.32Å; E221-M223 PolarHBondContact O-N 3.01Å; M223-H226 PolarHBondContact O-N 3.19Å; M223-H227 WeakPolarHBondContact O-CB 3.42Å; M223-H227 PolarHBondContact O-N 3.01Å
224E60.1Low55.9Low126 Ų126109.4 Ų109.459%0.58959%0.59SS**Hα-helixtrans-64.9-43.4175.7-76.3-160.9142.900111.4E220 E221 H227 V228E220-E224 WeakPolarHBondContact O-CB 3.31Å; E220-E224 WeakPolarHBondContact O-CG 3.21Å; E220-E224 PolarHBondContact O-N 3.06Å; E221-E224 PolarHBondContact O-N 3.02Å; E224-H227 PolarHBondContact O-N 2.84Å; E224-V228 WeakPolarHBondContact O-CB 3.46Å; E224-V228 VanDerWaalsContact O-CG2 3.31Å; E224-V228 WeakPolarHBondContact O-CG2 3.36Å; E224-V228 PolarHBondContact O-N 2.66Å
225T60.8Low56.3Low67 Ų67110.8 Ų110.841%0.41159%0.586SS.*Hα-helixtrans-64.6-42.2174.8530000111.8E221 D222 H227 V228 L229E221-T225 WeakPolarHBondContact O-CB 3.31Å; E221-T225 VanDerWaalsContact O-CG2 3.31Å; E221-T225 WeakPolarHBondContact O-CG2 3.38Å; E221-T225 PolarHBondContact O-N 3.34Å; E221-T225 PolarHBondContact O-OG1 2.87Å; D222-T225 WeakPolarHBondContact CA-OG1 3.31Å; D222-T225 PolarHBondContact O-OG1 2.91Å; D222-T225 VanDerWaalsContact O-OG1 3.06Å; T225-H227 VanDerWaalsContact C-N 3.3Å; T225-H227 PolarHBondContact O-N 2.9Å; T225-V228 PolarHBondContact O-N 2.75Å; T225-L229 WeakPolarHBondContact O-CB 3.47Å; T225-L229 VanDerWaalsContact O-CG 3.28Å; T225-L229 WeakPolarHBondContact O-CG 3.24Å; T225-L229 PolarHBondContact O-N 2.73Å
226H57.7Low55.9Low134 Ų134110 Ų11062%0.6258%0.581SS**Hα-helixtrans-58-42.3171.2-115.1-84.2000112.1D222 M223 T230D222-H226 WeakPolarHBondContact O-CB 3.36Å; D222-H226 PolarHBondContact O-N 3.02Å; M223-H226 PolarHBondContact O-N 3.19Å; H226-T230 WeakPolarHBondContact O-CB 3.4Å; H226-T230 PolarHBondContact O-N 2.91Å; H226-T230 PolarHBondContact O-OG1 2.9Å
227H61.9Low56.1Low144 Ų144117.5 Ų117.567%0.66760%0.598SS**Hα-helixtrans-68.1-41.6178.9-177.3-98000112.3M223 E224 T225 T230 G231M223-H227 WeakPolarHBondContact O-CB 3.42Å; M223-H227 PolarHBondContact O-N 3.01Å; E224-H227 PolarHBondContact O-N 2.84Å; T225-H227 VanDerWaalsContact C-N 3.3Å; T225-H227 PolarHBondContact O-N 2.9Å; H227-T230 PolarHBondContact O-N 3.44Å; H227-G231 PolarHBondContact O-N 3.34Å
228V67.3Low55.8Low83 Ų83124.2 Ų124.250%0.50361%0.608SS.*Hα-helixtrans-64.1-44.6175.6168.60000111.2E224 T225 G231 N232E224-V228 WeakPolarHBondContact O-CB 3.46Å; E224-V228 VanDerWaalsContact O-CG2 3.31Å; E224-V228 WeakPolarHBondContact O-CG2 3.36Å; E224-V228 PolarHBondContact O-N 2.66Å; T225-V228 PolarHBondContact O-N 2.75Å; V228-G231 PolarHBondContact O-N 2.82Å; V228-N232 PolarHBondContact O-N 3.46Å; V228-N232 VanDerWaalsContact O-N 3.11Å; V228-N232 PolarHBondContact O-ND2 2.91Å
229L54.2Low55.2Low101 Ų101126.5 Ų126.553%0.52961%0.613SS.*Hα-helixtrans-65.1-45.3176.2-68.6169.8000111.4T225 G231 N232 L233T225-L229 WeakPolarHBondContact O-CB 3.47Å; T225-L229 VanDerWaalsContact O-CG 3.28Å; T225-L229 WeakPolarHBondContact O-CG 3.24Å; T225-L229 PolarHBondContact O-N 2.73Å; L229-G231 PolarHBondContact O-N 2.79Å; L229-N232 PolarHBondContact O-N 3.39Å; L229-L233 HydrophobicContact CB-CD1 4.34Å; L229-L233 WeakPolarHBondContact O-CB 3.46Å; L229-L233 VanDerWaalsContact O-CG 3.3Å; L229-L233 WeakPolarHBondContact O-CG 3.43Å; L229-L233 PolarHBondContact O-N 3.21Å
230T58.7Low54.6Low84 Ų84131.7 Ų131.752%0.51563%0.625SS.*Hα-helixtrans-65-23.4176-54.50000113H226 H227 K235H226-T230 WeakPolarHBondContact O-CB 3.4Å; H226-T230 PolarHBondContact O-N 2.91Å; H226-T230 PolarHBondContact O-OG1 2.9Å; H227-T230 PolarHBondContact O-N 3.44Å; T230-K235 WeakPolarHBondContact O-CE 3.45Å
231G59Low53.9Low47 Ų47133 Ų13349%0.48563%0.631SS.*Hα-helixtrans-79.2-34.4174.900000114.3H227 V228 L229H227-G231 PolarHBondContact O-N 3.34Å; V228-G231 PolarHBondContact O-N 2.82Å; L229-G231 PolarHBondContact O-N 2.79Å
232N56.7Low52.9Low137 Ų137131.6 Ų131.673%0.73363%0.634SS**Hα-helixtrans-105.6-20.3-171.7-69.3-81.6000114.6V228 L229V228-N232 PolarHBondContact O-N 3.46Å; V228-N232 VanDerWaalsContact O-N 3.11Å; V228-N232 PolarHBondContact O-ND2 2.91Å; L229-N232 PolarHBondContact O-N 3.39Å
233L64.4Low52.3Low118 Ų118136 Ų13662%0.61865%0.651SS**SBendtrans-70.4144.4172.2-72.1167.9000111.3L229 K235L229-L233 HydrophobicContact CB-CD1 4.34Å; L229-L233 WeakPolarHBondContact O-CB 3.46Å; L229-L233 VanDerWaalsContact O-CG 3.3Å; L229-L233 WeakPolarHBondContact O-CG 3.43Å; L229-L233 PolarHBondContact O-N 3.21Å; L233-K235 PolarHBondContact O-N 3.46Å
234Y52.3Low51.5Low198 Ų198137.4 Ų137.478%0.77665%0.651SS**  trans-62.1112.5175.6-175.2-88.8000109.9P236Y234-P236 VanDerWaalsContact O-CD 3.32Å; Y234-P236 WeakPolarHBondContact O-CD 3.49Å
235K51.7Low50.8Low147 Ų147135.1 Ų135.164%0.63965%0.649SS**  trans-65.8120.2-176.7-66-178.4-179.3179.30109.4T230 L233 R237T230-K235 WeakPolarHBondContact O-CE 3.45Å; L233-K235 PolarHBondContact O-N 3.46Å; K235-R237 PolarHBondContact O-N 3.06Å
236P40.6Very low50.5Low114 Ų114141.5 Ų141.574%0.7467%0.666SS**  trans-51.5127.1175.7-27.835.7000109.9Y234 R238Y234-P236 VanDerWaalsContact O-CD 3.32Å; Y234-P236 WeakPolarHBondContact O-CD 3.49Å; P236-R238 VanDerWaalsContact C-N 3.32Å; P236-R238 PolarHBondContact O-N 2.88Å
237R44.9Very low49.9Very low193 Ų193143.3 Ų143.373%0.72867%0.674SS**  trans-69.287.7-167.7-174.1176.3-179.6145.40.4110.4K235 R239K235-R237 PolarHBondContact O-N 3.06Å; R237-R239 HydrophobicContact CG-CG 4.35Å; R237-R239 PolarHBondContact O-N 3.25Å
238R44Very low49.1Very low245 Ų245144.4 Ų144.493%0.92568%0.677SS**  trans-59.682.8169.3-72.1-170.5177-165.4-0.1109.6P236 Y240P236-R238 VanDerWaalsContact C-N 3.32Å; P236-R238 PolarHBondContact O-N 2.88Å; R238-Y240 PolarHBondContact O-N 2.92Å
239R42.3Very low48.3Very low191 Ų191143.5 Ų143.572%0.72167%0.668SS**  trans-65.2105.1164.4-65.5-165.7-168.5-149.38.7106.4R237 Q241R237-R239 HydrophobicContact CG-CG 4.35Å; R237-R239 PolarHBondContact O-N 3.25Å; R239-Q241 VanDerWaalsContact C-N 3.34Å; R239-Q241 PolarHBondContact O-N 3.27Å
240Y40.7Very low48.4Very low188 Ų188142 Ų14274%0.73766%0.664SS**  trans-66.198.9168.9-154.3-86.4000106.5R238 S242R238-Y240 PolarHBondContact O-N 2.92Å; Y240-S242 PolarHBondContact O-N 2.81Å
241Q38.6Very low48.3Very low149 Ų149146.9 Ų146.970%0.69669%0.686SS**  trans-73.573178.5-73.2-77.42600109.3R239 H243R239-Q241 VanDerWaalsContact C-N 3.34Å; R239-Q241 PolarHBondContact O-N 3.27Å; Q241-H243 PolarHBondContact O-N 3.23Å
242S39Very low48.3Very low84 Ų84146.8 Ų146.859%0.58769%0.686SS**  trans-63.8119.3156.750.10000107.4Y240 Y244Y240-S242 PolarHBondContact O-N 2.81Å; S242-Y244 PolarHBondContact O-N 3.11Å
243H40.7Very low48.3Very low189 Ų189145.2 Ų145.288%0.87567%0.674SS**  trans-7072.8178.8-75.9-97.7000111.1Q241 S245Q241-H243 PolarHBondContact O-N 3.23Å; H243-S245 PolarHBondContact O-N 3.13Å
244Y45.4Very low48Very low146 Ų146143.8 Ų143.857%0.57366%0.664SS**  trans-76.390.8178.4-172.3-103.8000110S242 R246 M249S242-Y244 PolarHBondContact O-N 3.11Å; Y244-R246 HydrophobicContact CD1-CG 4.27Å; Y244-R246 HydrophobicContact CE1-CG 3.91Å; Y244-R246 PolarHBondContact O-N 3.42Å; Y244-M249 HydrophobicContact CE2-SD 4.39Å
245S47.2Very low48.8Very low79 Ų79141.3 Ų141.355%0.55266%0.66SS**  trans-66.8111.4170.5-174.40000109.2H243 H247H243-S245 PolarHBondContact O-N 3.13Å; S245-H247 PolarHBondContact O-N 2.91Å
246R52.5Low49.4Very low201 Ų201143.1 Ų143.176%0.75866%0.662SS**THydrogen-bonded Turntrans-72.6-0.9-164.2-142.8-173.3-172.4-175.60.6115.5Y244Y244-R246 HydrophobicContact CD1-CG 4.27Å; Y244-R246 HydrophobicContact CE1-CG 3.91Å; Y244-R246 PolarHBondContact O-N 3.42Å
247H46.2Very low50.6Low172 Ų172141.2 Ų141.280%0.79664%0.643SS**THydrogen-bonded Turntrans-136-1.9-167-66.4-66.6000116.2S245S245-H247 PolarHBondContact O-N 2.91Å
248F45.8Very low51.9Low167 Ų167135.9 Ų135.973%0.73263%0.63SS**  trans-159.3128.4168.9-146.1-102.9000111.4
249M50.3Low53.4Low63 Ų63133.4 Ų133.431%0.3162%0.62SS.*  trans-121.8126.8164.1-75.6-163.874.600109.2Y244 E253 Q257Y244-M249 HydrophobicContact CE2-SD 4.39Å; M249-E253 HydrophobicContact CE-CB 3.85Å; M249-Q257 VanDerWaalsContact CE-OE1 3.3Å; M249-Q257 PolarHBondContact SD-OE1 3.2Å; M249-Q257 VanDerWaalsContact SD-OE1 3.33Å
250P55.5Low54.9Low69 Ų69129.5 Ų129.545%0.44861%0.61SS.*  trans-64.2144.9173.5-21.333.8000112G252 E253P250-G252 PolarHBondContact O-N 3.02Å; P250-E253 PolarHBondContact O-N 3.5Å
251L55.7Low56.6Low187 Ų187124.1 Ų124.198%0.97960%0.597SS**THydrogen-bonded Turntrans-62.36.5-172.8-82.7165000116.9
252G60.7Low58.6Low46 Ų46123.9 Ų123.947%0.47459%0.594SS.*THydrogen-bonded Turntrans-116.2-7.1171.900000115P250P250-G252 PolarHBondContact O-N 3.02Å
253E56.8Low60.3Low104 Ų104126.6 Ų126.649%0.48660%0.597SS.*THydrogen-bonded Turntrans-92.4-25.2179.3-62.8-160.2133.700112.7M249 P250 R256 Q257M249-E253 HydrophobicContact CE-CB 3.85Å; P250-E253 PolarHBondContact O-N 3.5Å; E253-R256 PolarHBondContact O-N 2.96Å; E253-Q257 PolarHBondContact O-N 3.5Å
254Q58.2Low61.7Low88 Ų88123.5 Ų123.541%0.41158%0.578SS.*Hα-helixtrans-54.7-54.4175.2-176.561.346.700111.7R256 Q257 D258Q254-R256 PolarHBondContact O-N 3.34Å; Q254-Q257 PolarHBondContact O-N 3.45Å; Q254-D258 VanDerWaalsContact NE2-CG 3.26Å; Q254-D258 PolarHBondContact NE2-OD1 3.33Å; Q254-D258 VanDerWaalsContact NE2-OD1 3.14Å; Q254-D258 PolarHBondContact NE2-OD2 3.43Å; Q254-D258 PolarHBondContact O-N 3.49Å
255E67.4Low63.3Low146 Ų146120.8 Ų120.868%0.68257%0.573SS**Hα-helixtrans-60-34.3-179.8-166.3-166.117100112.3R259E255-R259 VanDerWaalsContact O-CB 3.23Å; E255-R259 WeakPolarHBondContact O-CB 3.24Å; E255-R259 PolarHBondContact O-N 3.37Å
256R64.3Low64.5Low184 Ų184120.7 Ų120.769%0.69457%0.565SS**Hα-helixtrans-69.2-44.1174.8-68.3-176.8171.6-166.2-2.2111.6E253 Q254 R259 E260E253-R256 PolarHBondContact O-N 2.96Å; Q254-R256 PolarHBondContact O-N 3.34Å; R256-R259 PolarHBondContact O-N 3.35Å; R256-E260 PolarHBondContact O-N 2.78Å
257Q67.5Low65.5Low74 Ų74118.6 Ų118.635%0.34656%0.557SS.*Hα-helixtrans-64.1-44.4176.8-171176.310.300111.1M249 E253 Q254 R259 E260 V261M249-Q257 VanDerWaalsContact CE-OE1 3.3Å; M249-Q257 PolarHBondContact SD-OE1 3.2Å; M249-Q257 VanDerWaalsContact SD-OE1 3.33Å; E253-Q257 PolarHBondContact O-N 3.5Å; Q254-Q257 PolarHBondContact O-N 3.45Å; Q257-R259 VanDerWaalsContact C-N 3.33Å; Q257-R259 PolarHBondContact O-N 3.48Å; Q257-E260 PolarHBondContact O-N 2.9Å; Q257-V261 HydrophobicContact CG-CG2 4.25Å; Q257-V261 WeakPolarHBondContact O-CB 3.39Å; Q257-V261 VanDerWaalsContact O-CG2 3.27Å; Q257-V261 WeakPolarHBondContact O-CG2 3.28Å; Q257-V261 PolarHBondContact O-N 3.34Å
258D71.9Confident66.6Low82 Ų82113.6 Ų113.644%0.43954%0.542SS..Hα-helixtrans-63-39.5177.5-69.5-34.4000111.7Q254 V261 F262Q254-D258 VanDerWaalsContact NE2-CG 3.26Å; Q254-D258 PolarHBondContact NE2-OD1 3.33Å; Q254-D258 VanDerWaalsContact NE2-OD1 3.14Å; Q254-D258 PolarHBondContact NE2-OD2 3.43Å; Q254-D258 PolarHBondContact O-N 3.49Å; D258-V261 PolarHBondContact O-N 2.8Å; D258-F262 WeakPolarHBondContact O-CB 3.48Å; D258-F262 PolarHBondContact O-N 2.82Å
259R74Confident67.9Low193 Ų193112.6 Ų112.673%0.72853%0.533SS*.Hα-helixtrans-64.6-40.3173.4-170.1171.8-178.2167.40.2112.5E255 R256 Q257 Q263E255-R259 VanDerWaalsContact O-CB 3.23Å; E255-R259 WeakPolarHBondContact O-CB 3.24Å; E255-R259 PolarHBondContact O-N 3.37Å; R256-R259 PolarHBondContact O-N 3.35Å; Q257-R259 VanDerWaalsContact C-N 3.33Å; Q257-R259 PolarHBondContact O-N 3.48Å; R259-Q263 VanDerWaalsContact O-CB 3.28Å; R259-Q263 WeakPolarHBondContact O-CB 3.33Å; R259-Q263 PolarHBondContact O-N 3.27Å
260E73.9Confident68.6Low108 Ų108114.6 Ų114.651%0.50554%0.543SS..Hα-helixtrans-67.8-40.6173.2-86.9-160.6-141.200113.1R256 Q257 Q263 R264R256-E260 PolarHBondContact O-N 2.78Å; Q257-E260 PolarHBondContact O-N 2.9Å; E260-Q263 PolarHBondContact O-N 3.45Å; E260-R264 WeakPolarHBondContact O-CB 3.47Å; E260-R264 PolarHBondContact O-N 3.13Å; E260-R264 IonicContact OE2-NH1 3.3Å; E260-R264 PolarHBondContact OE2-NH1 3.08Å
261V77.4Confident68.9Low76 Ų76115.7 Ų115.746%0.46154%0.542SS..Hα-helixtrans-67-45.7178.2167.40000110Q257 D258 Q263 R264 N265Q257-V261 HydrophobicContact CG-CG2 4.25Å; Q257-V261 WeakPolarHBondContact O-CB 3.39Å; Q257-V261 VanDerWaalsContact O-CG2 3.27Å; Q257-V261 WeakPolarHBondContact O-CG2 3.28Å; Q257-V261 PolarHBondContact O-N 3.34Å; D258-V261 PolarHBondContact O-N 2.8Å; V261-Q263 PolarHBondContact O-N 3.02Å; V261-R264 PolarHBondContact O-N 2.98Å; V261-N265 VanDerWaalsContact O-CB 3.3Å; V261-N265 WeakPolarHBondContact O-CB 3.31Å; V261-N265 PolarHBondContact O-N 2.84Å
262F79.7Confident69.2Low144 Ų144110.6 Ų110.663%0.63252%0.519SS*.Hα-helixtrans-58-47.5172.6-179.8-98.2000111.1D258 R264 N265 M266D258-F262 WeakPolarHBondContact O-CB 3.48Å; D258-F262 PolarHBondContact O-N 2.82Å; F262-R264 PolarHBondContact O-N 3.3Å; F262-N265 PolarHBondContact O-N 3.35Å; F262-M266 HydrophobicContact CD1-CG 4.45Å; F262-M266 HydrophobicContact CE1-CG 3.94Å; F262-M266 HydrophobicContact CE2-CG 4.38Å; F262-M266 HydrophobicContact CZ-CG 3.9Å; F262-M266 WeakPolarHBondContact O-CB 3.44Å; F262-M266 PolarHBondContact O-N 3.03Å
263Q75.9Confident69.2Low141 Ų141114.8 Ų114.866%0.65952%0.524SS*.Hα-helixtrans-64.7-40.8179.1-166.8179.757.100112.4R259 E260 V261 R267R259-Q263 VanDerWaalsContact O-CB 3.28Å; R259-Q263 WeakPolarHBondContact O-CB 3.33Å; R259-Q263 PolarHBondContact O-N 3.27Å; E260-Q263 PolarHBondContact O-N 3.45Å; V261-Q263 PolarHBondContact O-N 3.02Å; Q263-R267 VanDerWaalsContact O-CB 3.28Å; Q263-R267 WeakPolarHBondContact O-CB 3.44Å; Q263-R267 PolarHBondContact O-N 2.92Å
264R69.1Low69.1Low123 Ų123116.8 Ų116.846%0.46453%0.531SS..Hα-helixtrans-61.5-45.4172.5-87.4-174.3170.587.5-4.3112E260 V261 F262 R267 S268E260-R264 WeakPolarHBondContact O-CB 3.47Å; E260-R264 PolarHBondContact O-N 3.13Å; E260-R264 IonicContact OE2-NH1 3.3Å; E260-R264 PolarHBondContact OE2-NH1 3.08Å; V261-R264 PolarHBondContact O-N 2.98Å; F262-R264 PolarHBondContact O-N 3.3Å; R264-R267 PolarHBondContact O-N 3.16Å; R264-S268 WeakPolarHBondContact O-CB 3.28Å; R264-S268 PolarHBondContact O-N 2.86Å
265N78.8Confident68.8Low90 Ų90116 Ų11648%0.48154%0.535SS..Hα-helixtrans-65.9-46.8-179.3-163-35.6000110.7V261 F262 R267 S268 R269V261-N265 VanDerWaalsContact O-CB 3.3Å; V261-N265 WeakPolarHBondContact O-CB 3.31Å; V261-N265 PolarHBondContact O-N 2.84Å; F262-N265 PolarHBondContact O-N 3.35Å; N265-R267 PolarHBondContact O-N 2.91Å; N265-S268 PolarHBondContact O-N 3.41Å; N265-R269 WeakPolarHBondContact O-CG 3.33Å; N265-R269 PolarHBondContact O-N 2.77Å; N265-R269 WeakPolarHBondContact OD1-CD 3.43Å
266M73.4Confident68.1Low77 Ų77113 Ų11338%0.37953%0.528SS..Hα-helixtrans-55-46.7171.2-94.7-61.8-61.800112.7F262 S268 R269 M270F262-M266 HydrophobicContact CD1-CG 4.45Å; F262-M266 HydrophobicContact CE1-CG 3.94Å; F262-M266 HydrophobicContact CE2-CG 4.38Å; F262-M266 HydrophobicContact CZ-CG 3.9Å; F262-M266 WeakPolarHBondContact O-CB 3.44Å; F262-M266 PolarHBondContact O-N 3.03Å; M266-S268 PolarHBondContact O-N 2.9Å; M266-R269 PolarHBondContact O-N 3.21Å; M266-M270 HydrophobicContact CE-CG 4.01Å; M266-M270 HydrophobicContact CE-SD 3.87Å; M266-M270 WeakPolarHBondContact O-CG 3.11Å; M266-M270 PolarHBondContact O-N 3.06Å
267R74.1Confident67.4Low156 Ų156114 Ų11459%0.58953%0.531SS*.Hα-helixtrans-60.5-46.2178.2-167.3178-173.2-67.8-7.8111.5Q263 R264 N265 R269 M270 E271Q263-R267 VanDerWaalsContact O-CB 3.28Å; Q263-R267 WeakPolarHBondContact O-CB 3.44Å; Q263-R267 PolarHBondContact O-N 2.92Å; R264-R267 PolarHBondContact O-N 3.16Å; N265-R267 PolarHBondContact O-N 2.91Å; R267-R269 PolarHBondContact O-N 3.35Å; R267-M270 PolarHBondContact O-N 2.91Å; R267-E271 IonicContact CZ-OE1 3.18Å; R267-E271 VanDerWaalsContact NH1-CD 3.31Å; R267-E271 IonicContact NH1-OE1 3.59Å; R267-E271 PolarHBondContact NH1-OE1 3.27Å; R267-E271 IonicContact NH1-OE2 2.66Å; R267-E271 PolarHBondContact NH1-OE2 3.37Å; R267-E271 IonicContact NH2-OE1 2.73Å; R267-E271 PolarHBondContact NH2-OE1 3.4Å; R267-E271 WeakPolarHBondContact O-CG 3.23Å; R267-E271 PolarHBondContact O-N 3.1Å
268S68Low66.5Low68 Ų68118.1 Ų118.148%0.47655%0.55SS.*Hα-helixtrans-61.5-40.9176.2-172.40000112.8R264 N265 M266 E271 T272R264-S268 WeakPolarHBondContact O-CB 3.28Å; R264-S268 PolarHBondContact O-N 2.86Å; N265-S268 PolarHBondContact O-N 3.41Å; M266-S268 PolarHBondContact O-N 2.9Å; S268-E271 PolarHBondContact O-N 3.03Å; S268-T272 PolarHBondContact O-N 3.34Å; S268-T272 PolarHBondContact O-OG1 2.8Å
269R72.9Confident65.3Low145 Ų145122.6 Ų122.655%0.54757%0.566SS.*Hα-helixtrans-66-43.6174.2-68.4178.578.1177.54.2111.7N265 M266 R267 E271 T272 F273N265-R269 WeakPolarHBondContact O-CG 3.33Å; N265-R269 PolarHBondContact O-N 2.77Å; N265-R269 WeakPolarHBondContact OD1-CD 3.43Å; M266-R269 PolarHBondContact O-N 3.21Å; R267-R269 PolarHBondContact O-N 3.35Å; R269-E271 PolarHBondContact O-N 3.08Å; R269-T272 WeakPolarHBondContact CA-OG1 3.28Å; R269-T272 PolarHBondContact O-N 2.98Å; R269-T272 PolarHBondContact O-OG1 2.86Å; R269-F273 HydrophobicContact CB-CE2 4.41Å; R269-F273 WeakPolarHBondContact O-CD2 3.27Å; R269-F273 WeakPolarHBondContact O-CG 3.41Å; R269-F273 PolarHBondContact O-N 2.91Å
270M64.6Low64Low105 Ų105122 Ų12252%0.51756%0.563SS.*Hα-helixtrans-64.9-36.2176.5-69.6-174.49000113M266 R267 K274M266-M270 HydrophobicContact CE-CG 4.01Å; M266-M270 HydrophobicContact CE-SD 3.87Å; M266-M270 WeakPolarHBondContact O-CG 3.11Å; M266-M270 PolarHBondContact O-N 3.06Å; R267-M270 PolarHBondContact O-N 2.91Å; M270-K274 VanDerWaalsContact O-CG 3.32Å; M270-K274 WeakPolarHBondContact O-CG 3.28Å; M270-K274 PolarHBondContact O-N 3.23Å; M270-K274 VanDerWaalsContact O-N 3.09Å
271E61.8Low62.8Low93 Ų93123.9 Ų123.944%0.43557%0.572SS.*Hα-helixtrans-69.8-43177.2-74.8175.7163.700112R267 S268 R269 K274 S275R267-E271 IonicContact CZ-OE1 3.18Å; R267-E271 VanDerWaalsContact NH1-CD 3.31Å; R267-E271 IonicContact NH1-OE1 3.59Å; R267-E271 PolarHBondContact NH1-OE1 3.27Å; R267-E271 IonicContact NH1-OE2 2.66Å; R267-E271 PolarHBondContact NH1-OE2 3.37Å; R267-E271 IonicContact NH2-OE1 2.73Å; R267-E271 PolarHBondContact NH2-OE1 3.4Å; R267-E271 WeakPolarHBondContact O-CG 3.23Å; R267-E271 PolarHBondContact O-N 3.1Å; S268-E271 PolarHBondContact O-N 3.03Å; R269-E271 PolarHBondContact O-N 3.08Å; E271-K274 PolarHBondContact O-N 3.33Å; E271-S275 PolarHBondContact O-N 3.24Å
272T63.7Low61.2Low80 Ų80128.6 Ų128.649%0.49159%0.586SS.*Hα-helixtrans-62.8-43.7174450000111.9S268 R269 K274 S275 T276S268-T272 PolarHBondContact O-N 3.34Å; S268-T272 PolarHBondContact O-OG1 2.8Å; R269-T272 WeakPolarHBondContact CA-OG1 3.28Å; R269-T272 PolarHBondContact O-N 2.98Å; R269-T272 PolarHBondContact O-OG1 2.86Å; T272-K274 VanDerWaalsContact C-N 3.33Å; T272-K274 PolarHBondContact O-N 3.43Å; T272-S275 PolarHBondContact O-N 3.3Å; T272-S275 PolarHBondContact O-OG 2.66Å; T272-T276 PolarHBondContact O-N 2.84Å
273F59.4Low59.6Low134 Ų134128.7 Ų128.759%0.58859%0.586SS**Hα-helixtrans-63.3-30.6174.6-75-55.2000114.4R269 T276R269-F273 HydrophobicContact CB-CE2 4.41Å; R269-F273 WeakPolarHBondContact O-CD2 3.27Å; R269-F273 WeakPolarHBondContact O-CG 3.41Å; R269-F273 PolarHBondContact O-N 2.91Å; F273-T276 VanDerWaalsContact O-CG2 3.25Å; F273-T276 WeakPolarHBondContact O-CG2 3.38Å
274K55.6Low58.2Low145 Ų145127.3 Ų127.363%0.6358%0.58SS**Hα-helixtrans-67.4-40.5173.7-77.6172.8-178.8-1780112.2M270 E271 T272 T276M270-K274 VanDerWaalsContact O-CG 3.32Å; M270-K274 WeakPolarHBondContact O-CG 3.28Å; M270-K274 PolarHBondContact O-N 3.23Å; M270-K274 VanDerWaalsContact O-N 3.09Å; E271-K274 PolarHBondContact O-N 3.33Å; T272-K274 VanDerWaalsContact C-N 3.33Å; T272-K274 PolarHBondContact O-N 3.43Å; K274-T276 PolarHBondContact O-N 3.05Å
275S51.2Low57Low72 Ų72132 Ų13250%0.50360%0.598SS.*Hα-helixtrans-66.3-36-176.874.60000114.2E271 T272E271-S275 PolarHBondContact O-N 3.24Å; T272-S275 PolarHBondContact O-N 3.3Å; T272-S275 PolarHBondContact O-OG 2.66Å
276T53.4Low55.5Low84 Ų84131.4 Ų131.452%0.51560%0.6SS.*Hα-helixtrans-69.7-42.3-178.3176.90000112.7T272 F273 K274 H278 K279 R280T272-T276 PolarHBondContact O-N 2.84Å; F273-T276 VanDerWaalsContact O-CG2 3.25Å; F273-T276 WeakPolarHBondContact O-CG2 3.38Å; K274-T276 PolarHBondContact O-N 3.05Å; T276-H278 VanDerWaalsContact C-N 3.29Å; T276-H278 PolarHBondContact O-N 3.4Å; T276-K279 PolarHBondContact O-N 3Å; T276-R280 PolarHBondContact O-N 3.44Å
277R50.1Low54.4Low204 Ų204133.6 Ų133.677%0.7761%0.613SS**Hα-helixtrans-59.2-38.3176.9-80.2-169.7172-166.1-1.4112.4K279 R280R277-K279 PolarHBondContact O-N 2.95Å; R277-R280 PolarHBondContact O-N 3.2Å
278H47.8Very low53Low161 Ų161135.4 Ų135.475%0.74563%0.625SS**Hα-helixtrans-66.8-34.3179.5-113.370.9000113.6T276T276-H278 VanDerWaalsContact C-N 3.29Å; T276-H278 PolarHBondContact O-N 3.4Å
279K46.5Very low51.9Low175 Ų175141.4 Ų141.476%0.76164%0.643SS**Hα-helixtrans-73.5-32.8176.8-73.7-170.7176.7-178.80113.2T276 R277T276-K279 PolarHBondContact O-N 3Å; R277-K279 PolarHBondContact O-N 2.95Å
280R47.8Very low50.6Low181 Ų181145.4 Ų145.468%0.68366%0.658SS**Hα-helixtrans-66.8-47.9-178.9-164.4170.7-179.3162.31.6112.3T276 R277 K282 K283 E284T276-R280 PolarHBondContact O-N 3.44Å; R277-R280 PolarHBondContact O-N 3.2Å; R280-K282 VanDerWaalsContact C-N 3.29Å; R280-K282 PolarHBondContact O-N 2.84Å; R280-K283 PolarHBondContact O-N 3.06Å; R280-E284 IonicContact NE-OE1 2.9Å; R280-E284 PolarHBondContact O-N 3.5Å
281H47.6Very low49.6Very low147 Ų147152.1 Ų152.168%0.68168%0.677SS**Hα-helixtrans-60.2-32.5-179.3-104.1-74.3000114.3
282K44.9Very low48.5Very low175 Ų175151.6 Ų151.676%0.76170%0.697SS**Hα-helixtrans-74-28.6179.9-162.8169-176.8175.10112.8R280R280-K282 VanDerWaalsContact C-N 3.29Å; R280-K282 PolarHBondContact O-N 2.84Å
283K45.6Very low47.2Very low147 Ų147152.8 Ų152.864%0.63971%0.709SS**Hα-helixtrans-79.7-36-179-171.3172.5179.7179.20113.2R280 S286 L287R280-K283 PolarHBondContact O-N 3.06Å; K283-S286 PolarHBondContact O-OG 2.98Å; K283-L287 HydrophobicContact CG-CD1 4.41Å; K283-L287 PolarHBondContact O-N 3.22Å
284E45.9Very low46.1Very low112 Ų112153 Ų15352%0.52372%0.716SS.*Hα-helixtrans-71-36.3177.9-71.2173.5-170.800111.8R280 S286 L287R280-E284 IonicContact NE-OE1 2.9Å; R280-E284 PolarHBondContact O-N 3.5Å; E284-S286 VanDerWaalsContact C-N 3.32Å; E284-S286 PolarHBondContact O-N 2.86Å; E284-L287 PolarHBondContact O-N 3.36Å
285R44.9Very low45.1Very low221 Ų221152.4 Ų152.483%0.83473%0.725SS**Hα-helixtrans-68.8-25.4179.4-155.3176.7-168.8-170.83.8113.8
286S47Very low44.3Very low77 Ų77157.4 Ų157.454%0.53874%0.737SS.*Hα-helixtrans-82.5-35176.955.90000113.4K283 E284 K288 K289K283-S286 PolarHBondContact O-OG 2.98Å; E284-S286 VanDerWaalsContact C-N 3.32Å; E284-S286 PolarHBondContact O-N 2.86Å; S286-K288 VanDerWaalsContact C-N 3.35Å; S286-K288 PolarHBondContact O-N 2.92Å; S286-K289 PolarHBondContact O-N 3.42Å
287L49.5Very low43.3Very low123 Ų123158.8 Ų158.864%0.64474%0.741SS**Hα-helixtrans-66.2-34.9179.4-77.9163000112.8K283 E284 K289K283-L287 HydrophobicContact CG-CD1 4.41Å; K283-L287 PolarHBondContact O-N 3.22Å; E284-L287 PolarHBondContact O-N 3.36Å; L287-K289 PolarHBondContact O-N 3.49Å
288K45.1Very low42.6Very low194 Ų194157.4 Ų157.484%0.84374%0.744SS**THydrogen-bonded Turntrans-76.33.1-178.2-151.4162.8-174.5173.10114.8S286S286-K288 VanDerWaalsContact C-N 3.35Å; S286-K288 PolarHBondContact O-N 2.92Å
289K45.6Very low41.8Very low194 Ų194153 Ų15384%0.84374%0.743SS**THydrogen-bonded Turntrans-110.611.3176.9-150.6-177.7177.1-176.70114S286 L287S286-K289 PolarHBondContact O-N 3.42Å; L287-K289 PolarHBondContact O-N 3.49Å
290R44.1Very low41Very low230 Ų230148.4 Ų148.487%0.86875%0.745SS**SBendtrans-122.120.4-178.6-144.4-179.3-169.6-100.33.1115.5
291R43.7Very low40.3Very low245 Ų245145.9 Ų145.993%0.92575%0.745SS**  trans-135.5111160.6-87.6-175.1171-104.53.1106.8
292G38.6Very low40.2Very low83 Ų83147.7 Ų147.786%0.85675%0.751SS**  trans179.920.5-170.400000117.8
293S37.3Very low40.8Very low104 Ų104144.4 Ų144.473%0.72775%0.747SS**  trans-167.7124.3167.255.30000105
294D35.2Very low40.2Very low140 Ų140148.6 Ų148.675%0.74976%0.759SS**  -159.7165.153.1-104.1-64.5000114
295T34.3Very low39.5Very low132 Ų132153.6 Ų153.681%0.8177%0.773SS**  trans53.3140158.149.80000123.6
296K35.9Very low38.8Very low177 Ų177150 Ų15077%0.7777%0.77SS**  trans-48.8168158.3-96.9174.9144.1-110.50113.6
297D32.8Very low38.1Very low112 Ų112152.3 Ų152.360%0.59978%0.781SS**  cis-157.4168.929.2-143.38.6000114.9
298E33.8Very low37.1Very low175 Ų175151.1 Ų151.182%0.81878%0.783SS**  trans59.2159160.1-85.4-57.3149.700122.5
299G31.3Very low36.2Very low70 Ų70153.7 Ų153.772%0.72279%0.787SS**  trans99131.2173.100000115.6
300G30.1Very low35.4Very low78 Ų78153.4 Ų153.480%0.80479%0.789SS**  trans-114.5-173-168.300000118
301D32.2Very low34.7Very low128 Ų128148.6 Ų148.668%0.68478%0.781SS**  trans7684.7166.1-84.3-47.5000122.8
302K45.4Very low34.1Very low185 Ų185143.5 Ų143.580%0.80477%0.765SS**  78.5158.9117.4-78.1-171.5-166.989.40120.1
303P57.5Low33.6Very low106 Ų106145.3 Ų145.369%0.68876%0.755SS**  trans-131.4-179.6-139.845.3-32.1000115.3
304R33.2Very low34.3Very low235 Ų235146 Ų14689%0.88776%0.757SS**  trans171.8157.4143.9-93.2148.8-169.3-141.31.6108.9
305R31.8Very low33.8Very low217 Ų217145.5 Ų145.582%0.81976%0.759SS**  cis-162.4151.5-6.8152.4168.6172.7137.7-6.4109.3
306N29.6Very low33.4Very low145 Ų145143.8 Ų143.878%0.77576%0.758SS**  trans-72.5170.7175.9-53.8-21.3000111.2
307V32.5Very low33.3Very low126 Ų126141.3 Ų141.376%0.76476%0.758SS**  -171.2158.889.1151.50000110.3
308S28.5Very low33.3Very low98 Ų98141.9 Ų141.969%0.68577%0.767SS**  trans-75.4157.8179.549.80000115.2
309W27.7Very low33.2Very low248 Ų248139.6 Ų139.694%0.93977%0.765SS**  trans-83.6148.6162.2-65.692.3000111.6
310Q28.6Very low33.1Very low188 Ų188144.4 Ų144.488%0.87977%0.769SS**  trans-130166.9164.9-78.2-95.344.300107.9
311D28.3Very low33.7Very low129 Ų129145.6 Ų145.669%0.6976%0.762SS**  trans-120.9171.5-160.9-171.617.3000112.9
312K31.2Very low33.5Very low138 Ų138147.1 Ų147.160%0.677%0.765SS**  trans85.5105.6173.1-55.5-62.691.4-1560118.7
313D27.5Very low32.7Very low120 Ų120146.2 Ų146.264%0.64276%0.764SS**  36.8156.7105.9-45.5-25.4000120.8
314P52.1Low31.3Very low118 Ų118146.9 Ų146.977%0.76676%0.761SS**  cis-135.2-164-23.132.8-10.8000113.1
315V26.4Very low31Very low131 Ų131144 Ų14479%0.79476%0.755SS**  trans149.4128.4132.51650000116.4
316A25.8Very low30.8Very low96 Ų96137.7 Ų137.779%0.79375%0.75SS**  trans63162.6150.800000124.5
317V33Very low30.7Very low125 Ų125138 Ų13876%0.75875%0.751SS**  trans-129.1149.2-172.3-1770000108.9
318P32.7Very low30.3Very low123 Ų123140.6 Ų140.680%0.79976%0.755SS**  -130.5132.6123.27.414.5000111
319V31.1Very low30.2Very low128 Ų128141.3 Ų141.378%0.77676%0.76SS**  9312563.8168.20000113.3
320E29.2Very low30.4Very low171 Ų171136.8 Ų136.880%0.79975%0.754SS**  trans-46.7179.2172.4-56.1-60.8134.800115.4
321P42.4Very low30.9Very low102 Ų102132.9 Ų132.966%0.66275%0.746SS**  cis-156.9-166.126.146.1-22.3000120.7
322E28.1Very low31.3Very low160 Ų160135.9 Ų135.975%0.74876%0.756SS**  trans80.9119.2157.4-65.7-175.7179.700120.3
323E29.1Very low31.7Very low167 Ų167137.9 Ų137.978%0.7876%0.764SS**  82.4145.697.5-66.5-161.2163.900114.3
324D27.6Very low32.2Very low119 Ų119141.8 Ų141.864%0.63678%0.778SS**  cis-154.4165.97-156.60.6000113
325K27.5Very low31.6Very low175 Ų175144.9 Ų144.976%0.76178%0.783SS**  trans54.6136.2158.6-46.5-144.3179.6-165.30127.1
326A27.6Very low32.5Very low85 Ų85146.7 Ų146.770%0.70279%0.788SS**  trans90.1117130.700000123
327D26.8Very low33.3Very low151 Ų151149 Ų14981%0.80779%0.792SS**  trans51.2113.4138.5-56-12.2000122.4
328Q25.5Very low33.7Very low180 Ų180145.5 Ų145.584%0.84178%0.781SS**  148.9151100-165.6158.789.100114.6
329S26.6Very low34.6Very low114 Ų114146.5 Ų146.580%0.79778%0.778SS**  trans78.3155.1168.572.70000120
330D31.6Very low35.2Very low152 Ų152147.5 Ų147.581%0.81378%0.777SS**  trans-80151.4-163.2-61.4-91.4000116
331P38.3Very low35.9Very low107 Ų107148.3 Ų148.370%0.69578%0.779SS**  trans-92.197.916434.8-29.4000111.7K333P331-K333 PolarHBondContact O-N 2.81Å
332E37.8Very low36.1Very low192 Ų192149.4 Ų149.490%0.89778%0.783SS**  trans-55.9129.7158.8-66.8-175132.900109.7
333K37.9Very low37Very low179 Ų179146.4 Ų146.478%0.77879%0.786SS**  trans-141.297.4170.8-74.1-164.7175.1178.50112.3P331 E335P331-K333 PolarHBondContact O-N 2.81Å; K333-E335 PolarHBondContact O-N 3.39Å
334E39.9Very low37.5Very low202 Ų202150.1 Ų150.194%0.94479%0.793SS**  trans12.8100.8150.2-61178.8112.600116.1
335E38.8Very low37.9Very low184 Ų184153.6 Ų153.686%0.8680%0.802SS**  trans-69.9159169.5-62.9-175.4177.600112.2K333 V337K333-E335 PolarHBondContact O-N 3.39Å; E335-V337 PolarHBondContact O-N 2.79Å; E335-V337 VanDerWaalsContact O-N 3.13Å
336D44.4Very low38.2Very low168 Ų168151.8 Ų151.890%0.89881%0.805SS**  trans-51.9111.9-172.2-82.6-61.8000114.7G338D336-G338 PolarHBondContact O-N 3.14Å
337V43Very low38.4Very low145 Ų145156.1 Ų156.188%0.87981%0.811SS**  trans-74.176.6165.4-1740000109.9E335E335-V337 PolarHBondContact O-N 2.79Å; E335-V337 VanDerWaalsContact O-N 3.13Å
338G42.3Very low38.9Very low51 Ų51155.1 Ų155.153%0.52681%0.811SS.*  trans-62.6139.3173.500000112.4D336 I340D336-G338 PolarHBondContact O-N 3.14Å; G338-I340 PolarHBondContact O-N 2.79Å; G338-I340 VanDerWaalsContact O-N 3.08Å
339I51.3Low39.3Very low145 Ų145152.6 Ų152.674%0.74481%0.81SS**  trans-7798.7-179.5-57.8172.9000110F341I339-F341 HydrophobicContact CG2-CD2 4.16Å; I339-F341 HydrophobicContact CG2-CE2 3.59Å; I339-F341 HydrophobicContact CG2-CZ 3.96Å
340I44.2Very low39.4Very low148 Ų148156.5 Ų156.576%0.75981%0.813SS**  trans-82.7123.8176.2-54.2176.8000110.4G338 V342G338-I340 PolarHBondContact O-N 2.79Å; G338-I340 VanDerWaalsContact O-N 3.08Å; I340-V342 HydrophobicContact CG2-CG2 4.06Å
341F43.8Very low39.2Very low189 Ų189158.4 Ų158.483%0.82982%0.817SS**  trans-98.9107.8170.3-74.1-86000111I339I339-F341 HydrophobicContact CG2-CD2 4.16Å; I339-F341 HydrophobicContact CG2-CE2 3.59Å; I339-F341 HydrophobicContact CG2-CZ 3.96Å
342V45.6Very low38.6Very low125 Ų125164.4 Ų164.476%0.75883%0.825SS**  trans-90.4112.2176.7-178.90000110.5I340I340-V342 HydrophobicContact CG2-CG2 4.06Å
343A46.8Very low38.7Very low97 Ų97159.9 Ų159.980%0.80281%0.813SS**PPolyproline II helixtrans-79.2117.8172.900000110.9K345A343-K345 PolarHBondContact O-N 2.95Å
344R40Very low38.2Very low245 Ų245161 Ų16193%0.92582%0.817SS**PPolyproline II helixtrans-76.1118170.6-73.5-172.2179.8-176.20.6110.4
345K35.3Very low37.6Very low192 Ų192157.1 Ų157.184%0.83581%0.813SS**PPolyproline II helixtrans-97.1125.5162.5-173.9179.2-178.9-177.70108.4A343A343-K345 PolarHBondContact O-N 2.95Å
346V35.3Very low37.1Very low136 Ų136155 Ų15582%0.82481%0.812SS**PPolyproline II helixtrans-86.1140.8168.7173.40000108.5
347E31.3Very low36.8Very low176 Ų176152.6 Ų152.682%0.82281%0.806SS**PPolyproline II helixtrans-93.1150.8-167.3-59.3-167.5123.400114.1
348T36.2Very low35.9Very low130 Ų130150.1 Ų150.180%0.79880%0.801SS**PPolyproline II helixtrans-101.4130.6169.7520000110.4
349P33.8Very low35.1Very low128 Ų128151.9 Ų151.983%0.83181%0.81SS**PPolyproline II helixtrans-65141.1170.4-22.134.3000113.2
350K30.3Very low34Very low195 Ų195152.6 Ų152.685%0.84882%0.815SS**PPolyproline II helixtrans-72165.7165.8-76.5173.7169.3170.60109.7
351Q27.3Very low33.2Very low192 Ų192152.5 Ų152.590%0.89782%0.816SS**  cis-156.6-178.948.3-71.5-179.7-5.100114.6
352R24.8Very low32.3Very low233 Ų233149.4 Ų149.488%0.87981%0.812SS**  trans-141.6170.9175.3-137.2-168.6171.3-171.9-0.8105.3
353P40.3Very low31.3Very low97 Ų97148.3 Ų148.363%0.6381%0.809SS**  cis-149.3-172.37.245.9-25.7000118.5
354K27.3Very low30.3Very low202 Ų202152.7 Ų152.788%0.87881%0.812SS**  trans65.9112.7148.5-79.7176.2176-176.90121.1
355S26.9Very low29.8Very low121 Ų121146.2 Ų146.285%0.84681%0.805SS**  -167.8164.512156.90000111.8
356V29Very low30.1Very low140 Ų140143.1 Ų143.185%0.84880%0.804SS**  trans-152.8129.4178.2169.50000104.4
357P37.7Very low29.9Very low118 Ų118141.8 Ų141.877%0.76680%0.801SS**  -159.4179.685.943.6-22.9000118.8
358A25.4Very low30.2Very low93 Ų93139.2 Ų139.277%0.76980%0.8SS**  trans74.4114.9143.500000123.3
359A24.8Very low29.8Very low88 Ų88140.6 Ų140.673%0.72780%0.801SS**  74.3128.6121.700000124.4
360L27.2Very low30.6Very low160 Ų160139.9 Ų139.984%0.83880%0.797SS**  trans76.9154.5144.5-73167.1000122.1
361D27.7Very low31.2Very low146 Ų146136.2 Ų136.278%0.78179%0.793SS**  trans62.3150.7168.8-68.4-28.1000120.3
362V25.1Very low31.5Very low123 Ų123132.7 Ų132.775%0.74579%0.789SS**  cis-156.6166.2-37.5105.20000110.1
363C24.1Very low32.7Very low103 Ų103127.4 Ų127.470%0.69679%0.785SS**  trans-21145.2177.3-52.90000121.2
364Q26.6Very low32.8Very low188 Ų188128.7 Ų128.788%0.87979%0.794SS**  -176.8167.3114-98.6165.465.600115.5
365S28.5Very low33Very low110 Ų110123.3 Ų123.377%0.76978%0.781SS**  trans-134.3-175.1175.5-52.30000107.9
366P42.1Very low33.3Very low126 Ų126126 Ų12682%0.81878%0.781SS**  cis-142-1539.843.5-20.7000115.2
367S30.9Very low33.4Very low108 Ų108125.9 Ų125.976%0.75578%0.775SS**  trans-86.6-175.4174.9-29.60000112.9
368P38Very low33.1Very low122 Ų122124 Ų12479%0.79277%0.765SS**  cis-149-157.436.644.3-20.2000118.1
369L27.5Very low33.3Very low160 Ų160127.9 Ų127.984%0.83877%0.767SS**  trans-31.7173.7171.9-93.371.1000119.6
370P51.2Low34Very low113 Ų113131.3 Ų131.373%0.73477%0.772SS**  cis-127.8-136.78.340.7-19.9000111.1
371P43.5Very low34.3Very low118 Ų118127.5 Ų127.577%0.76676%0.757SS**  cis-128.4-174.7-28.140.5-23.5000114.6
372S33.8Very low34.4Very low117 Ų117131.8 Ų131.882%0.81876%0.762SS**  trans-163.8120.9172.559.20000118
373P50.2Low34.8Very low123 Ų123136 Ų13680%0.79977%0.771SS**  trans-120-171.3158.141.1-29.1000111.4
374P42.1Very low35.1Very low124 Ų124134.9 Ų134.981%0.80578%0.776SS**  cis-128.3-149.4-345-27.7000113.8
375S30.8Very low35.2Very low88 Ų88129.2 Ų129.262%0.61577%0.768SS**  trans-121-162.6-176.5-470000112.8
376E33.2Very low35.5Very low179 Ų179131.4 Ų131.484%0.83678%0.777SS**  cis-16117310.1-127.1110.8-124.200105.5
377D30.5Very low35.2Very low136 Ų136129.2 Ų129.273%0.72778%0.777SS**  cis-166.6-179-4.6175.247.8000109.3
378S32.2Very low35.5Very low79 Ų79129.4 Ų129.455%0.55278%0.778SS**  trans75.1133156.3-81.20000118.6
379H28.6Very low35.6Very low175 Ų175128.7 Ų128.781%0.8177%0.774SS**  cis-146.5147.80.6-116.6-73.9000109.5
380L40.7Very low36.2Very low159 Ų159126.5 Ų126.583%0.83277%0.769SS**  trans-115.4157172.4-71175.6000111.8
381P34.2Very low35.5Very low81 Ų81126.8 Ų126.853%0.52677%0.771SS.*  -143.6-179.1124.422.11.2000115.4
382W29.8Very low35Very low236 Ų236127.2 Ų127.289%0.89478%0.775SS**  trans50.161.3170.143.271.9000118.8
383K33.2Very low35.1Very low212 Ų212127.8 Ų127.892%0.92277%0.774SS**  trans-46.7129.1144166.9178.3177.8-77.50113.4
384G29.8Very low34.1Very low78 Ų78127.5 Ų127.580%0.80477%0.774SS**  trans166.4121.9161.700000113.6
385G28.2Very low34.5Very low70 Ų70128 Ų12872%0.72278%0.775SS**  cis-176.8158.7-9.400000113
386V35.2Very low35Very low156 Ų156132.6 Ų132.695%0.94579%0.787SS**  trans56.3109.7163.8-171.40000118.7
387G35.4Very low35.1Very low79 Ų79128.5 Ų128.581%0.81478%0.783SS**  101.786.1126.500000119.7
388S36.7Very low35.7Very low113 Ų113129 Ų12979%0.7979%0.792SS**  trans-156.7142.1150.6-171.90000110.4
389P41.4Very low36.1Very low107 Ų107134.3 Ų134.370%0.69580%0.804SS**PPolyproline II helixtrans-69161.5171.529.9-35.5000112.5
390P40.7Very low37.1Very low113 Ų113133.6 Ų133.673%0.73481%0.805SS**PPolyproline II helixtrans-73.8144.8-175.230.1-35.8000112.9
391P36.5Very low37.2Very low119 Ų119131 Ų13177%0.77379%0.791SS**PPolyproline II helixtrans-73.7130.7171.430.5-33.3000111.1V393P391-V393 PolarHBondContact O-N 3.29Å
392C31.2Very low38Very low128 Ų128131 Ų13187%0.86579%0.791SS**PPolyproline II helixtrans-68.2128.2172.1-59.10000110.4S394C392-S394 PolarHBondContact O-N 3.49Å
393V36.3Very low39.4Very low129 Ų129124.5 Ų124.578%0.78278%0.777SS**  trans-82.4111178.2179.70000110.2P391 V395P391-V393 PolarHBondContact O-N 3.29Å; V393-V395 HydrophobicContact CG1-CG2 4.09Å
394S29.9Very low40.7Very low117 Ų117120.3 Ų120.382%0.81877%0.765SS**  trans-95.5123.1154.3-69.80000108.7C392 E396C392-S394 PolarHBondContact O-N 3.49Å; S394-E396 PolarHBondContact O-N 3.48Å
395V50.1Low42Very low135 Ų135121.9 Ų121.982%0.81875%0.754SS**  trans-82.9110.3172.7177.30000108.4V393V393-V395 HydrophobicContact CG1-CG2 4.09Å
396E40.5Very low43.5Very low184 Ų184122.3 Ų122.386%0.8674%0.737SS**  trans175.2163.8139.5-169.4140.5-14100109.6S394S394-E396 PolarHBondContact O-N 3.48Å
397A35.5Very low44.9Very low92 Ų92119.8 Ų119.876%0.7672%0.715SS**  trans62.880.7176.400000117.4K399A397-K399 PolarHBondContact O-N 3.25Å
398T43.3Very low46.4Very low148 Ų148118.5 Ų118.591%0.90870%0.697SS**  trans-65.897170.7-47.60000112.7
399K40.1Very low47.5Very low189 Ų189120.8 Ų120.882%0.82269%0.688SS**  trans-148.7108.8159-150.4170.3-171.7177.30112.1A397 I401A397-K399 PolarHBondContact O-N 3.25Å; K399-I401 PolarHBondContact O-N 2.96Å
400I49.6Very low48.8Very low161 Ų161120 Ų12083%0.82668%0.678SS**  trans-68.2115.3175.8-60.1167.4000108.2
401I44.5Very low50.1Low105 Ų105121.1 Ų121.154%0.53867%0.674SS.*  trans-87.2125.9172.2-58177.2000107.6K399 L405K399-I401 PolarHBondContact O-N 2.96Å; I401-L405 HydrophobicContact CG2-CB 3.78Å; I401-L405 HydrophobicContact CG2-CD1 4.37Å
402P50.7Low51.5Low79 Ų79118.5 Ų118.551%0.51366%0.658SS.*  trans-57.8138.5172.5-2534.6000111.7D404 L405P402-D404 PolarHBondContact O-N 3.4Å; P402-D404 VanDerWaalsContact O-N 3.12Å; P402-L405 PolarHBondContact O-N 3.34Å
403V59.3Low52.6Low101 Ų101116.1 Ų116.161%0.61264%0.636SS**Hα-helixtrans-56.6-34-172.9178.10000112.5L405 Q406 Q407V403-L405 VanDerWaalsContact C-N 3.26Å; V403-L405 PolarHBondContact O-N 3.29Å; V403-Q406 PolarHBondContact O-N 2.86Å; V403-Q406 VanDerWaalsContact O-N 3.1Å; V403-Q407 HydrophobicContact CG1-CG 4.3Å; V403-Q407 PolarHBondContact O-N 2.84Å
404D60.8Low53.5Low124 Ų124113 Ų11366%0.66362%0.62SS**Hα-helixtrans-55.2-37175.5-63.6-37.4000113.3P402 Q407 A408P402-D404 PolarHBondContact O-N 3.4Å; P402-D404 VanDerWaalsContact O-N 3.12Å; D404-Q407 PolarHBondContact O-N 2.9Å; D404-A408 VanDerWaalsContact O-CB 3.26Å; D404-A408 WeakPolarHBondContact O-CB 3.21Å; D404-A408 PolarHBondContact O-N 2.88Å
405L56.3Low54.6Low111 Ų111110.7 Ų110.758%0.58160%0.604SS**Hα-helixtrans-70.4-34.4179.3-91.6164.8000112I401 P402 V403 W409I401-L405 HydrophobicContact CG2-CB 3.78Å; I401-L405 HydrophobicContact CG2-CD1 4.37Å; P402-L405 PolarHBondContact O-N 3.34Å; V403-L405 VanDerWaalsContact C-N 3.26Å; V403-L405 PolarHBondContact O-N 3.29Å; L405-W409 WeakPolarHBondContact O-CB 3.38Å; L405-W409 PolarHBondContact O-N 3.26Å
406Q60.4Low54.3Low78 Ų78109.9 Ų109.936%0.36459%0.594SS.*Hα-helixtrans-72.5-37.4174-168.561.959.700111.3V403 W409 N410V403-Q406 PolarHBondContact O-N 2.86Å; V403-Q406 VanDerWaalsContact O-N 3.1Å; Q406-W409 PolarHBondContact O-N 3.36Å; Q406-N410 PolarHBondContact NE2-OD1 3.04Å; Q406-N410 WeakPolarHBondContact O-CB 3.34Å; Q406-N410 PolarHBondContact O-N 2.99Å; Q406-N410 PolarHBondContact O-OD1 3.46Å
407Q64.6Low54.8Low104 Ų104107.6 Ų107.649%0.48658%0.583SS.*Hα-helixtrans-67.2-42.9174.7-70.4-172.1-7.600112V403 D404 W409 N410 Q411V403-Q407 HydrophobicContact CG1-CG 4.3Å; V403-Q407 PolarHBondContact O-N 2.84Å; D404-Q407 PolarHBondContact O-N 2.9Å; Q407-W409 VanDerWaalsContact C-N 3.34Å; Q407-W409 PolarHBondContact O-N 3.09Å; Q407-N410 PolarHBondContact O-N 3.29Å; Q407-Q411 WeakPolarHBondContact O-CB 3.37Å; Q407-Q411 WeakPolarHBondContact O-CG 3.46Å; Q407-Q411 PolarHBondContact O-N 3.45Å
408A65.4Low55.3Low52 Ų52108 Ų10843%0.4358%0.581SS.*Hα-helixtrans-62.5-39.1174.900000112.3D404 S412D404-A408 VanDerWaalsContact O-CB 3.26Å; D404-A408 WeakPolarHBondContact O-CB 3.21Å; D404-A408 PolarHBondContact O-N 2.88Å; A408-S412 WeakPolarHBondContact O-CB 3.3Å; A408-S412 PolarHBondContact O-N 3.29Å
409W59.5Low55.3Low161 Ų161106.6 Ų106.661%0.6157%0.572SS**Hα-helixtrans-63.6-48.2173.5-171.94.3000111.2L405 Q406 Q407 Q411 S412 I413L405-W409 WeakPolarHBondContact O-CB 3.38Å; L405-W409 PolarHBondContact O-N 3.26Å; Q406-W409 PolarHBondContact O-N 3.36Å; Q407-W409 VanDerWaalsContact C-N 3.34Å; Q407-W409 PolarHBondContact O-N 3.09Å; W409-Q411 PolarHBondContact O-N 3.23Å; W409-S412 WeakPolarHBondContact O-CB 3.36Å; W409-S412 PolarHBondContact O-N 3.47Å; W409-S412 VanDerWaalsContact O-N 3.15Å; W409-I413 PolarHBondContact O-N 2.78Å
410N69.4Low55.4Low89 Ų89102.2 Ų102.248%0.47657%0.565SS.*Hα-helixtrans-61.9-42.5178.8-67-0.8000112Q406 Q407 S412 I413 S414Q406-N410 PolarHBondContact NE2-OD1 3.04Å; Q406-N410 WeakPolarHBondContact O-CB 3.34Å; Q406-N410 PolarHBondContact O-N 2.99Å; Q406-N410 PolarHBondContact O-OD1 3.46Å; Q407-N410 PolarHBondContact O-N 3.29Å; N410-S412 VanDerWaalsContact C-N 3.33Å; N410-S412 PolarHBondContact O-N 2.96Å; N410-I413 PolarHBondContact O-N 2.86Å; N410-S414 PolarHBondContact O-N 3.22Å; N410-S414 PolarHBondContact O-OG 3.33Å
411Q67.4Low54.8Low138 Ų13899.5 Ų99.565%0.64556%0.56SS**Hα-helixtrans-60.6-41173.7-73.1176.116.700112.1Q407 W409 I413 S414 S415Q407-Q411 WeakPolarHBondContact O-CB 3.37Å; Q407-Q411 WeakPolarHBondContact O-CG 3.46Å; Q407-Q411 PolarHBondContact O-N 3.45Å; W409-Q411 PolarHBondContact O-N 3.23Å; Q411-I413 PolarHBondContact O-N 3.47Å; Q411-S414 PolarHBondContact O-N 3.24Å; Q411-S415 WeakPolarHBondContact O-CB 3.32Å; Q411-S415 PolarHBondContact O-N 3.21Å
412S67.1Low54.8Low63 Ų63100.2 Ų100.244%0.44157%0.572SS.*Hα-helixtrans-61.5-41.6175.6-169.20000112.2A408 W409 N410 S415 L416A408-S412 WeakPolarHBondContact O-CB 3.3Å; A408-S412 PolarHBondContact O-N 3.29Å; W409-S412 WeakPolarHBondContact O-CB 3.36Å; W409-S412 PolarHBondContact O-N 3.47Å; W409-S412 VanDerWaalsContact O-N 3.15Å; N410-S412 VanDerWaalsContact C-N 3.33Å; N410-S412 PolarHBondContact O-N 2.96Å; S412-S415 PolarHBondContact O-N 3.46Å; S412-S415 PolarHBondContact O-OG 3.45Å; S412-L416 PolarHBondContact O-N 3.38Å
413I53Low54.4Low79 Ų79102.2 Ų102.241%0.40559%0.585SS.*Hα-helixtrans-66.1-49.2174.9-62.4-60.2000111.7W409 N410 Q411 S415 L416 E417W409-I413 PolarHBondContact O-N 2.78Å; N410-I413 PolarHBondContact O-N 2.86Å; Q411-I413 PolarHBondContact O-N 3.47Å; I413-S415 PolarHBondContact O-N 3.13Å; I413-L416 WeakPolarHBondContact O-CA 3.41Å; I413-L416 WeakPolarHBondContact O-CB 3.02Å; I413-L416 PolarHBondContact O-N 3.01Å; I413-E417 PolarHBondContact O-N 3.18Å; I413-E417 VanDerWaalsContact O-N 3.12Å
414S56.6Low53.4Low63 Ų63102.1 Ų102.144%0.44159%0.594SS.*Hα-helixtrans-63.6-26.4178.8-60.60000113N410 Q411 L416 E417 S418N410-S414 PolarHBondContact O-N 3.22Å; N410-S414 PolarHBondContact O-OG 3.33Å; Q411-S414 PolarHBondContact O-N 3.24Å; S414-L416 VanDerWaalsContact C-N 3.28Å; S414-L416 PolarHBondContact O-N 3.49Å; S414-E417 PolarHBondContact O-N 3.42Å; S414-S418 WeakPolarHBondContact O-CB 3.5Å; S414-S418 PolarHBondContact O-N 3.45Å; S414-S418 PolarHBondContact O-OG 3.42Å
415S52.9Low52.3Low69 Ų69102.1 Ų102.148%0.48360%0.601SS.*Hα-helixtrans-66.3-28.1171.181.80000113.4Q411 S412 I413Q411-S415 WeakPolarHBondContact O-CB 3.32Å; Q411-S415 PolarHBondContact O-N 3.21Å; S412-S415 PolarHBondContact O-N 3.46Å; S412-S415 PolarHBondContact O-OG 3.45Å; I413-S415 PolarHBondContact O-N 3.13Å
416L42.9Very low51.5Low118 Ų118101.7 Ų101.762%0.61861%0.614SS**Hα-helixtrans-86.6-23.6177.7-67.9170.3000112.8S412 I413 S414 V419S412-L416 PolarHBondContact O-N 3.38Å; I413-L416 WeakPolarHBondContact O-CA 3.41Å; I413-L416 WeakPolarHBondContact O-CB 3.02Å; I413-L416 PolarHBondContact O-N 3.01Å; S414-L416 VanDerWaalsContact C-N 3.28Å; S414-L416 PolarHBondContact O-N 3.49Å; L416-V419 WeakPolarHBondContact O-CG2 3.41Å
417E50.9Low50.2Low135 Ų135106.6 Ų106.663%0.63164%0.637SS**Hα-helixtrans-74.7-32.1167.1-64.8178.9123.700111.1I413 S414 V419 S420I413-E417 PolarHBondContact O-N 3.18Å; I413-E417 VanDerWaalsContact O-N 3.12Å; S414-E417 PolarHBondContact O-N 3.42Å; E417-V419 PolarHBondContact O-N 3.49Å; E417-V419 VanDerWaalsContact O-N 3.13Å; E417-S420 WeakPolarHBondContact O-CB 3.25Å; E417-S420 PolarHBondContact O-N 3.37Å; E417-S420 VanDerWaalsContact O-N 3.17Å
418S46Very low48.8Very low102 Ų102107.5 Ų107.571%0.71365%0.652SS**THydrogen-bonded Turntrans-69.6-5.1-178.7-59.60000115.7S414S414-S418 WeakPolarHBondContact O-CB 3.5Å; S414-S418 PolarHBondContact O-N 3.45Å; S414-S418 PolarHBondContact O-OG 3.42Å
419V44Very low47.5Very low117 Ų117111.6 Ų111.671%0.70967%0.671SS**THydrogen-bonded Turntrans-901172.3-106.90000113.5L416 E417 S421L416-V419 WeakPolarHBondContact O-CG2 3.41Å; E417-V419 PolarHBondContact O-N 3.49Å; E417-V419 VanDerWaalsContact O-N 3.13Å; V419-S421 PolarHBondContact O-N 3.48Å; V419-S421 VanDerWaalsContact O-N 3.1Å
420S42.3Very low46.1Very low97 Ų97112.5 Ų112.568%0.67868%0.682SS**SBendtrans-84.174.4177.7-177.80000113.8E417E417-S420 WeakPolarHBondContact O-CB 3.25Å; E417-S420 PolarHBondContact O-N 3.37Å; E417-S420 VanDerWaalsContact O-N 3.17Å
421S37.3Very low44.8Very low104 Ų104113 Ų11373%0.72769%0.69SS**  trans60.8114.5160.6-51.70000118.9V419V419-S421 PolarHBondContact O-N 3.48Å; V419-S421 VanDerWaalsContact O-N 3.1Å
422P44.5Very low43.2Very low120 Ų120118.2 Ų118.278%0.77970%0.703SS**PPolyproline II helixtrans-72.6152.2158.532.5-33.8000111.1
423P42.2Very low41.4Very low122 Ų122121.3 Ų121.379%0.79272%0.719SS**PPolyproline II helixtrans-68.1153.2171.530-34.9000111.5
424A37Very low40.2Very low98 Ų98123.7 Ų123.781%0.8174%0.743SS**PPolyproline II helixtrans-66134.4-174.200000112.9
425P38.8Very low39Very low125 Ų125124.5 Ų124.581%0.81275%0.753SS**PPolyproline II helixtrans-71.6148.7168.231.5-34.1000110.6
426A39.8Very low37.9Very low102 Ų102128.3 Ų128.384%0.84377%0.768SS**PPolyproline II helixtrans-70.2138.6176.400000111.7
427E32.1Very low37.2Very low181 Ų181131.9 Ų131.985%0.84678%0.779SS**PPolyproline II helixtrans-79.1130.6-177.4-168.4171.7-150.500111.7V429E427-V429 PolarHBondContact O-N 3.43Å
428P34.9Very low36.5Very low123 Ų123136.8 Ų136.880%0.79979%0.791SS**PPolyproline II helixtrans-79.5116.1-175.830.2-34000112.6H430P428-H430 PolarHBondContact O-N 3.18Å
429V38Very low36.3Very low137 Ų137137.4 Ų137.483%0.8379%0.793SS**PPolyproline II helixtrans-78.9118.3178179.10000111.6E427E427-V429 PolarHBondContact O-N 3.43Å
430H30.6Very low35.6Very low181 Ų181136 Ų13684%0.83880%0.802SS**  trans-152.6162162.9-107.4-38.6000111.4P428P428-H430 PolarHBondContact O-N 3.18Å
431P42.8Very low34.8Very low99 Ų99135.3 Ų135.364%0.64381%0.811SS**  -129.3126.4-11936-18.4000116.1
432R32.6Very low34.4Very low247 Ų247136.2 Ų136.293%0.93282%0.817SS**  trans178.4133.5154.7-97.4143.7179.3166-0.7106.2
433V30.1Very low33.8Very low128 Ų128141.6 Ų141.678%0.77682%0.822SS**  cis-134.7146.112.7176.30000109.9
434S28Very low33.8Very low129 Ų129141.2 Ų141.290%0.90282%0.819SS**  trans-120.5102.3174-60.50000111.7
435A31Very low33.7Very low80 Ų80140.9 Ų140.966%0.66182%0.816SS**  trans-168.1132.2170.300000107.2
436L30.7Very low33.2Very low150 Ų150139.9 Ų139.979%0.78581%0.812SS**  cis-151.2-176.54.3-99.8158.3000109.5
437F28.6Very low32.8Very low193 Ų193145.7 Ų145.785%0.84681%0.814SS**  trans8399.1165.7-63.1-74.9000120.9
438R34.4Very low32.8Very low237 Ų237142.9 Ų142.989%0.89481%0.809SS**  trans-105.7-179.8135.8-120.1-172.9177.4176.10.4106.7
439P43.3Very low32.6Very low116 Ų116140.1 Ų140.175%0.75380%0.804SS**  cis-138.5170.1-1.140-22.1000117.4
440G28Very low33Very low86 Ų86139.1 Ų139.189%0.88780%0.8SS**  trans88.2148.3134.100000120.2
441G26.5Very low33.2Very low84 Ų84138.9 Ų138.987%0.86680%0.803SS**  trans163.1129.4172.400000113.2
442S29Very low32.5Very low123 Ų123137.5 Ų137.586%0.8681%0.807SS**  trans-103.9164-166.8520000116.2
443R30.6Very low32.3Very low233 Ų233130.7 Ų130.788%0.87980%0.803SS**  trans-59.5168.8161.4-112.3-176.9-177.7-177.41.6111.7
444P43.1Very low32.4Very low113 Ų113129 Ų12973%0.73480%0.803SS**  cis-152.2-17948.943.3-22.6000119
445A33.9Very low33Very low91 Ų91128.6 Ų128.675%0.75280%0.797SS**  trans59155.3147.400000121
446S29.8Very low33Very low104 Ų104129 Ų12973%0.72780%0.801SS**  cis-175.5142.7-2151.30000110.8
447Y30Very low33Very low224 Ų224131.5 Ų131.588%0.87881%0.808SS**  trans-164171.1139.9-133.4-101.2000112.6
448T32.2Very low33.3Very low122 Ų122126.6 Ų126.675%0.74880%0.803SS**  trans-109.2162.1-162.951.80000115.7
449G30.7Very low33.5Very low66 Ų66121.5 Ų121.568%0.6880%0.801SS**  trans-77.7-169.7170.200000114.4
450P47.8Very low33Very low115 Ų115120.1 Ų120.175%0.74780%0.799SS**  -139.6139.490.237.7-23.2000115.1
451I33.4Very low34.1Very low176 Ų176122 Ų12290%0.90380%0.796SS**  71.7124.8102.7-56.8169.1000115.4
452G28.5Very low34.2Very low71 Ų71123 Ų12373%0.73280%0.796SS**  trans-169.728.1-17800000119
453A29.7Very low34.3Very low104 Ų104121.6 Ų121.686%0.8679%0.792SS**  trans62.6145168.600000121.1
454A30.7Very low34.2Very low93 Ų93120.4 Ų120.477%0.76979%0.793SS**  trans-115.4-168.4164.400000107.9
455P42.3Very low33.4Very low120 Ų120120.5 Ų120.578%0.77980%0.796SS**  cis-114.1153.313.231.7-12.7000113.7
456A30.5Very low33.3Very low89 Ų89125.2 Ų125.274%0.73680%0.8SS**  70.8103.759.200000115.9
457Q30.1Very low33.5Very low202 Ų202125.6 Ų125.694%0.94480%0.799SS**  trans-170.6153.8132.7-106.5173.213.800112
458A34.2Very low33.5Very low90 Ų90123.9 Ų123.974%0.74480%0.799SS**  trans-117.8154.4163.100000107.7
459P39.1Very low33.5Very low129 Ų129129.8 Ų129.884%0.83881%0.808SS**  -145.9-176.589.539.5-23000114.6
460A33.3Very low33.4Very low87 Ų87136.5 Ų136.572%0.71982%0.818SS**  trans-99-160.6167.900000110.1
461P50.6Low32.5Very low126 Ų126139.9 Ų139.982%0.81882%0.821SS**  -118.3159.7-5733-20.7000111.9
462A29.7Very low32.3Very low105 Ų105141.4 Ų141.487%0.86882%0.821SS**  trans-148.5137.7171.900000115.9
463A31Very low32.3Very low94 Ų94145.8 Ų145.878%0.77782%0.823SS**  trans-4.3128.4164.100000120.9
464F27.8Very low32.3Very low207 Ų207147.8 Ų147.891%0.90882%0.818SS**  trans-63.8137.8147.1-104.4-106000110
465C26.9Very low32.2Very low116 Ų116151 Ų15178%0.78482%0.82SS**  trans-125.5127.3171.3-167.50000109.9
466F30.2Very low31.8Very low190 Ų190154 Ų15483%0.83382%0.823SS**PPolyproline II helixtrans-84.8129.1177.4-97.5-91.1000111.1
467P34.2Very low31.8Very low111 Ų111159.2 Ų159.272%0.72183%0.832SS**PPolyproline II helixtrans-87.2130.1163.532.6-29.9000110.9
468E31.1Very low32Very low188 Ų188158.8 Ų158.888%0.87983%0.83SS**PPolyproline II helixtrans-60.8154.2168.1-66.5-178.692.400112
469R31.5Very low31.9Very low247 Ų247164.1 Ų164.193%0.93284%0.84SS**  trans-128.3133.9158.5-80-169.4168.7-173.5-2.4111.5
470K29.1Very low31.6Very low206 Ų206166.7 Ų166.790%0.89684%0.84SS**  trans-77.1156.3-172.8-66.4175.3177176.40112.3
471K29.5Very low31.4Very low187 Ų187171.7 Ų171.781%0.81385%0.849SS**  trans-56.5146.8167-66.6179.7175.7-178.70112.3
472K28.6Very low30.6Very low208 Ų208173.7 Ų173.790%0.90485%0.847SS**  trans-136.8157139.8-94.1-167.4170.7-170.50108.8
473Q27.7Very low31.2Very low162 Ų162174.4 Ų174.476%0.75784%0.843SS**  trans-135.3175.6177.3-72.3178.9-86.500108.7
474L30.2Very low31Very low147 Ų147173 Ų17377%0.7784%0.838SS**  trans70.4150.2-179.9-89.651.3000114.3
475M28Very low31.2Very low161 Ų161167.6 Ų167.679%0.79383%0.832SS**  cis-140.4165.48.5-150.6128.3-17900112.3
476E34.1Very low31.4Very low183 Ų183168 Ų16886%0.85584%0.835SS**  trans-98.2141.2170.2-59.6154.7131.900109.2
477E31.1Very low31.5Very low198 Ų198167.2 Ų167.293%0.92583%0.834SS**  trans-144.6134.8158.8-68.5-171151.500109.3
478E34Very low31.5Very low192 Ų192169.3 Ų169.390%0.89783%0.834SS**  trans-118.3141.6167.1-65-178.9129.300107.4
479E31.3Very low31.7Very low202 Ų202169.4 Ų169.494%0.94484%0.837SS**  trans-161.3157.3154.6-125167.8-158.100112.1
480E33Very low32Very low183 Ų183165.2 Ų165.286%0.85583%0.828SS**  trans-102.7150.6178-61-176.9110.900111.2
481E29.8Very low33.1Very low193 Ų193161.3 Ų161.390%0.90282%0.824SS**  168.4148.2120.4-90.1-160.1135.700113.6
482E32.9Very low33.9Very low168 Ų168158.5 Ų158.579%0.78582%0.817SS**  trans-102.1177.7163.6-100.1-95.5146.900107.8
483P42.5Very low34.8Very low120 Ų120161 Ų16178%0.77984%0.835SS**  cis-136.9176.513.637.3-16.7000117.3
484G28.1Very low35.1Very low65 Ų65160.9 Ų160.967%0.6784%0.839SS**  trans-147.743.8-172.300000120
485A31.4Very low35.4Very low93 Ų93161.6 Ų161.677%0.76984%0.842SS**  trans34.1122155.700000123.5
486S31.8Very low35.8Very low123 Ų123161.7 Ų161.786%0.8685%0.845SS**  trans65.7125.3134-57.40000123.4
487Q31.8Very low35.9Very low175 Ų175160.4 Ų160.482%0.81885%0.845SS**  -152.7164.2113.1-163153.412.300112.6
488E33.6Very low36.2Very low154 Ų154158.1 Ų158.172%0.7284%0.84SS**  trans-66.7155.5-167.8-51.114486.100116.7
489M35Very low36.3Very low191 Ų191155.8 Ų155.894%0.94184%0.836SS**  -165.2147.6106.8-108.9-173173.900113.6
490Q38Very low36.7Very low159 Ų159152.5 Ų152.574%0.74383%0.828SS**  trans-140.6156.5169.4-142.4-17365.400107.1L492Q490-L492 HydrophobicContact CG-CD1 4.13Å; Q490-L492 VanDerWaalsContact OE1-CD1 3.3Å
491P52.9Low37Very low123 Ų123150.2 Ų150.280%0.79983%0.826SS**  -145.9169.488.837.7-21.1000114.9
492L46.3Very low37.5Very low129 Ų129146.6 Ų146.668%0.67582%0.82SS**  trans-85.8154.7168.7-83.772.7000112Q490Q490-L492 HydrophobicContact CG-CD1 4.13Å; Q490-L492 VanDerWaalsContact OE1-CD1 3.3Å
493M46.2Very low38Very low259 Ų259144.6 Ų144.6100%1.27682%0.823SS**  -132.90109.8-85.3-160.2163.800109.5

Retrieved 493 of 493 residues in 196.9 ms (Link to these results)