A0A3Q0KP14_SCHMA Loading...

Putative synovial sarcoma associated ss18 protein

AlphaFold DB , UniProt , Accession A0A3Q0KP14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 211 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
1M46.2Very low49.8Very low241 Ų241161.7 Ų161.7100%1.18780%0.804SS**  0102.70-70.5165.2151.900107.6
2Q44.3Very low51.8Low195 Ų195152.5 Ų152.591%0.91176%0.759SS**  trans-102.3116.2175.1-72.5-1756100108.4G4Q2-G4 PolarHBondContact O-N 3.37Å
3P45.7Very low54.1Low124 Ų124149.5 Ų149.581%0.80574%0.741SS**  trans-80.2100.7166.729.8-26.2000108.5Q5P3-Q5 PolarHBondContact O-N 3.15Å
4G46.3Very low56.3Low63 Ų63145.9 Ų145.965%0.64973%0.734SS**  trans-64.7121171.200000110.8Q2 L6Q2-G4 PolarHBondContact O-N 3.37Å; G4-L6 PolarHBondContact O-N 3.36Å
5Q47Very low58.4Low177 Ų177140.9 Ų140.983%0.82772%0.719SS**  trans-48.197.3171.3-70.7-78.5-20.300111.4P3P3-Q5 PolarHBondContact O-N 3.15Å
6L52.5Low60.4Low163 Ų163135.3 Ų135.385%0.85370%0.696SS**  trans-105.126.9172.7-76.7-173.8000113G4 R8G4-L6 PolarHBondContact O-N 3.36Å; L6-R8 PolarHBondContact O-N 3.25Å; L6-R8 VanDerWaalsContact O-N 3.14Å
7R41.5Very low62.2Low203 Ų203130.2 Ų130.277%0.76667%0.669SS**  trans-82.793.8165.4-159.4163.6-164.9901.1107.8E9R7-E9 PolarHBondContact O-N 3.07Å
8R46.8Very low63.8Low238 Ų238128.4 Ų128.490%0.89866%0.658SS**  trans-50104169.3-69.4-174.6-163.395.71.1108.7L6 Q10L6-R8 PolarHBondContact O-N 3.25Å; L6-R8 VanDerWaalsContact O-N 3.14Å; R8-Q10 PolarHBondContact O-N 3.49Å
9E53.3Low65.3Low99 Ų99129.4 Ų129.446%0.46366%0.657SS.*  trans-73111173-59.8-57.715000107.6R7 R63R7-E9 PolarHBondContact O-N 3.07Å; E9-R63 IonicContact OE1-NH1 3.34Å; E9-R63 PolarHBondContact OE1-NH1 2.75Å; E9-R63 IonicContact OE2-CZ 3.49Å; E9-R63 IonicContact OE2-NH1 2.61Å; E9-R63 PolarHBondContact OE2-NH1 2.9Å; E9-R63 IonicContact OE2-NH2 3.81Å
10Q60.8Low66.6Low169 Ų169124.3 Ų124.379%0.7963%0.631SS**  trans-55.7138.6173.9-156.5150.449.100108.7R8 I12R8-Q10 PolarHBondContact O-N 3.49Å; Q10-I12 PolarHBondContact O-N 3.24Å
11P63.4Low67.9Low107 Ų107121.8 Ų121.870%0.69562%0.619SS**  trans-56.9114-176.919.4-30.6000109.7Q13P11-Q13 PolarHBondContact O-N 3.31Å
12I73.4Confident70.2Confident51 Ų51114.6 Ų114.626%0.26259%0.585SS.*  trans-69.8116.5178.4-62.7116000107.6Q10 I17 I60Q10-I12 PolarHBondContact O-N 3.24Å; I12-I17 HydrophobicContact CG2-CD1 3.66Å; I12-I17 HydrophobicContact CG2-CG1 3.52Å; I12-I60 HydrophobicContact CB-CD1 4.47Å; I12-I60 HydrophobicContact CD1-CB 4.49Å; I12-I60 HydrophobicContact CD1-CD1 4.42Å; I12-I60 HydrophobicContact CD1-CG1 3.8Å; I12-I60 HydrophobicContact CD1-CG2 4.09Å; I12-I60 HydrophobicContact CG1-CD1 4.09Å; I12-I60 HydrophobicContact CG1-CG1 4.02Å; I12-I60 HydrophobicContact CG2-CD1 3.7Å; I12-I60 HydrophobicContact CG2-CG1 4.38Å; I12-I60 HydrophobicContact CG2-CG2 4.37Å
13Q82Confident72.5Confident114 Ų114108 Ų10853%0.53355%0.554SS.*  trans-72.7132.8177.4-64.3-67.8-2700109.6P11 S15 S16 I17P11-Q13 PolarHBondContact O-N 3.31Å; Q13-S15 PolarHBondContact O-N 3.47Å; Q13-S15 VanDerWaalsContact O-N 3.17Å; Q13-S16 WeakPolarHBondContact O-CB 3.3Å; Q13-S16 PolarHBondContact O-N 2.95Å; Q13-I17 PolarHBondContact O-N 3.29Å
14P85.6Confident74.9Confident99 Ų99102.6 Ų102.664%0.64352%0.518SS*.Hα-helixtrans-59.5-29.5177.524.5-33.8000112.1S16 I17 Q18P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.34Å; P14-I17 WeakPolarHBondContact O-CB 3.48Å; P14-I17 PolarHBondContact O-N 3.16Å; P14-Q18 PolarHBondContact O-N 3.36Å
15S87.8Confident77.2Confident71 Ų71103.3 Ų103.350%0.49751%0.51SS..Hα-helixtrans-63.2-33.5173.262.20000113.1Q13 K19Q13-S15 PolarHBondContact O-N 3.47Å; Q13-S15 VanDerWaalsContact O-N 3.17Å; S15-K19 VanDerWaalsContact O-CG 3.31Å; S15-K19 WeakPolarHBondContact O-CG 3.25Å; S15-K19 PolarHBondContact O-N 2.92Å
16S89.2Confident79.5Confident51 Ų51101.3 Ų101.336%0.35750%0.495SS..Hα-helixtrans-72.3-38.3176.1-1660000111.3Q13 P14 K19 M20Q13-S16 WeakPolarHBondContact O-CB 3.3Å; Q13-S16 PolarHBondContact O-N 2.95Å; P14-S16 VanDerWaalsContact C-N 3.3Å; P14-S16 PolarHBondContact O-N 3.34Å; S16-K19 PolarHBondContact O-N 3.47Å; S16-M20 WeakPolarHBondContact O-CG 3.35Å; S16-M20 PolarHBondContact O-N 3.37Å; S16-M20 VanDerWaalsContact O-N 3.08Å
17I90.9Very high81.6Confident48 Ų4893.7 Ų93.725%0.24646%0.455CS..Hα-helixtrans-61.1-48.5174.1-60.7174.9000109.3I12 Q13 P14 K19 M20 L21 L57 I60I12-I17 HydrophobicContact CG2-CD1 3.66Å; I12-I17 HydrophobicContact CG2-CG1 3.52Å; Q13-I17 PolarHBondContact O-N 3.29Å; P14-I17 WeakPolarHBondContact O-CB 3.48Å; P14-I17 PolarHBondContact O-N 3.16Å; I17-K19 PolarHBondContact O-N 2.88Å; I17-M20 WeakPolarHBondContact O-CB 3.35Å; I17-M20 PolarHBondContact O-N 3.18Å; I17-L21 HydrophobicContact CG2-CD1 4.34Å; I17-L21 WeakPolarHBondContact O-CG 3.17Å; I17-L21 PolarHBondContact O-N 2.76Å; I17-L57 HydrophobicContact CG2-CD2 3.72Å; I17-I60 HydrophobicContact CD1-CG2 4.08Å; I17-I60 HydrophobicContact CG1-CD1 4.37Å
18Q92Very high84.1Confident98 Ų9887.6 Ų87.646%0.45844%0.437SS..Hα-helixtrans-58.6-46.1177.8-171.960.753.900112P14 M20 L21 D22P14-Q18 PolarHBondContact O-N 3.36Å; Q18-M20 PolarHBondContact O-N 3.27Å; Q18-L21 WeakPolarHBondContact O-CA 3.47Å; Q18-L21 WeakPolarHBondContact O-CB 3.24Å; Q18-L21 PolarHBondContact O-N 3.39Å; Q18-D22 PolarHBondContact NE2-OD1 3.45Å; Q18-D22 VanDerWaalsContact O-CG 3.24Å; Q18-D22 PolarHBondContact O-N 3.26Å
19K91.9Very high86.4Confident147 Ų14782.1 Ų82.164%0.63942%0.421SS*.Hα-helixtrans-56.5-38.5174.9-75.6175.9-178.7-173.30112.6S15 S16 I17 E23S15-K19 VanDerWaalsContact O-CG 3.31Å; S15-K19 WeakPolarHBondContact O-CG 3.25Å; S15-K19 PolarHBondContact O-N 2.92Å; S16-K19 PolarHBondContact O-N 3.47Å; I17-K19 PolarHBondContact O-N 2.88Å; K19-E23 WeakPolarHBondContact O-CB 3.3Å; K19-E23 PolarHBondContact O-N 3.33Å
20M91.2Very high88.2Confident28 Ų2878.7 Ų78.714%0.13841%0.408CS..Hα-helixtrans-70.4-33.8176-69-177.867.400112.5S16 I17 Q18 N24 N53 Y56 L57S16-M20 WeakPolarHBondContact O-CG 3.35Å; S16-M20 PolarHBondContact O-N 3.37Å; S16-M20 VanDerWaalsContact O-N 3.08Å; I17-M20 WeakPolarHBondContact O-CB 3.35Å; I17-M20 PolarHBondContact O-N 3.18Å; Q18-M20 PolarHBondContact O-N 3.27Å; M20-N24 WeakPolarHBondContact O-CB 3.4Å; M20-N24 PolarHBondContact O-N 3.39Å; M20-N24 PolarHBondContact O-ND2 2.64Å; M20-N24 PolarHBondContact O-OD1 3.13Å; M20-N53 HydrophobicContact CE-CB 3.74Å; M20-N53 WeakPolarHBondContact CE-OD1 3.49Å; M20-Y56 HydrophobicContact CE-CD1 3.24Å; M20-Y56 HydrophobicContact CE-CE1 3.99Å; M20-Y56 HydrophobicContact CE-CG 3.97Å; M20-Y56 HydrophobicContact SD-CD1 3.29Å; M20-Y56 WeakPolarHBondContact SD-CD1 3.28Å; M20-Y56 HydrophobicContact SD-CE1 3.38Å; M20-Y56 WeakPolarHBondContact SD-CE1 3.35Å; M20-Y56 HydrophobicContact SD-CG 4.45Å; M20-L57 HydrophobicContact CB-CD2 4.41Å; M20-L57 HydrophobicContact CE-CG 4.49Å
21L93.6Very high89.8Confident72 Ų7271.6 Ų71.638%0.37738%0.376SS..Hα-helixtrans-67.2-46.2173.2-65.2174.7000111.4I17 Q18 E23 N24 V25 L57I17-L21 HydrophobicContact CG2-CD1 4.34Å; I17-L21 WeakPolarHBondContact O-CG 3.17Å; I17-L21 PolarHBondContact O-N 2.76Å; Q18-L21 WeakPolarHBondContact O-CA 3.47Å; Q18-L21 WeakPolarHBondContact O-CB 3.24Å; Q18-L21 PolarHBondContact O-N 3.39Å; L21-E23 VanDerWaalsContact C-N 3.3Å; L21-E23 PolarHBondContact O-N 3.48Å; L21-N24 WeakPolarHBondContact O-CB 3.34Å; L21-N24 PolarHBondContact O-N 3.5Å; L21-N24 VanDerWaalsContact O-N 3.16Å; L21-V25 PolarHBondContact O-N 3.37Å; L21-V25 VanDerWaalsContact O-N 3.1Å; L21-L57 HydrophobicContact CD2-CD1 3.71Å
22D94.3Very high91.1Very high89 Ų8970.4 Ų70.448%0.47636%0.362SS..Hα-helixtrans-61.4-42.5176.8-59.3-24.5000110.8Q18 V25 R26Q18-D22 PolarHBondContact NE2-OD1 3.45Å; Q18-D22 VanDerWaalsContact O-CG 3.24Å; Q18-D22 PolarHBondContact O-N 3.26Å; D22-V25 PolarHBondContact O-N 3.38Å; D22-R26 PolarHBondContact O-N 3.07Å; D22-R26 VanDerWaalsContact O-N 3.12Å
23E93.9Very high92Very high57 Ų5770.2 Ų70.227%0.26637%0.368SS..Hα-helixtrans-62.6-41.2174.8177.762.6179.600111.8K19 L21 V25 R26 L27K19-E23 WeakPolarHBondContact O-CB 3.3Å; K19-E23 PolarHBondContact O-N 3.33Å; L21-E23 VanDerWaalsContact C-N 3.3Å; L21-E23 PolarHBondContact O-N 3.48Å; E23-V25 VanDerWaalsContact C-N 3.31Å; E23-V25 PolarHBondContact O-N 3.49Å; E23-R26 VanDerWaalsContact CD-NH2 3.26Å; E23-R26 WeakPolarHBondContact O-CB 3.39Å; E23-R26 PolarHBondContact O-N 3.06Å; E23-R26 IonicContact OE1-CZ 3.59Å; E23-R26 IonicContact OE1-NE 3.78Å; E23-R26 IonicContact OE1-NH2 2.64Å; E23-R26 PolarHBondContact OE1-NH2 3.35Å; E23-R26 IonicContact OE2-CZ 3.36Å; E23-R26 IonicContact OE2-NE 2.76Å; E23-R26 PolarHBondContact OE2-NE 2.78Å; E23-R26 IonicContact OE2-NH2 3.13Å; E23-R26 PolarHBondContact OE2-NH2 3.28Å; E23-R26 VanDerWaalsContact OE2-NH2 3.13Å; E23-L27 HydrophobicContact CG-CD1 3.94Å; E23-L27 HydrophobicContact CG-CG 4.25Å; E23-L27 WeakPolarHBondContact O-CB 3.21Å; E23-L27 VanDerWaalsContact O-CG 3.25Å; E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.38Å
24N95.2Very high92.4Very high10 Ų1067.4 Ų67.45%0.05336%0.355CS..Hα-helixtrans-60.5-40.6175.8-71.5-10.9000111.9M20 L21 R26 L27 I28 L50 N53 L57M20-N24 WeakPolarHBondContact O-CB 3.4Å; M20-N24 PolarHBondContact O-N 3.39Å; M20-N24 PolarHBondContact O-ND2 2.64Å; M20-N24 PolarHBondContact O-OD1 3.13Å; L21-N24 WeakPolarHBondContact O-CB 3.34Å; L21-N24 PolarHBondContact O-N 3.5Å; L21-N24 VanDerWaalsContact O-N 3.16Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 2.92Å; N24-L27 PolarHBondContact O-N 3.46Å; N24-I28 WeakPolarHBondContact O-CB 3.27Å; N24-I28 WeakPolarHBondContact O-CD1 3.3Å; N24-I28 VanDerWaalsContact O-CG1 3.23Å; N24-I28 WeakPolarHBondContact O-CG1 3.27Å; N24-I28 PolarHBondContact O-N 2.98Å; N24-L50 HydrophobicContact CB-CD1 3.86Å; N24-N53 WeakPolarHBondContact OD1-CB 3.07Å; N24-N53 PolarHBondContact OD1-ND2 2.85Å; N24-L57 WeakPolarHBondContact ND2-CD1 3.33Å
25V95.8Very high92.6Very high78 Ų7867.8 Ų67.847%0.47335%0.348SS..Hα-helixtrans-60.4-46.1175174.90000110.6L21 D22 E23 L27 I28 H29L21-V25 PolarHBondContact O-N 3.37Å; L21-V25 VanDerWaalsContact O-N 3.1Å; D22-V25 PolarHBondContact O-N 3.38Å; E23-V25 VanDerWaalsContact C-N 3.31Å; E23-V25 PolarHBondContact O-N 3.49Å; V25-L27 PolarHBondContact O-N 2.93Å; V25-I28 PolarHBondContact O-N 3.44Å; V25-H29 PolarHBondContact O-N 3.47Å
26R95.4Very high92.6Very high135 Ų13573.7 Ų73.751%0.50936%0.359SS..Hα-helixtrans-62.3-43.5177.5-168.6-172.67080.8-0.1112.1D22 E23 N24 H29 S30D22-R26 PolarHBondContact O-N 3.07Å; D22-R26 VanDerWaalsContact O-N 3.12Å; E23-R26 VanDerWaalsContact CD-NH2 3.26Å; E23-R26 WeakPolarHBondContact O-CB 3.39Å; E23-R26 PolarHBondContact O-N 3.06Å; E23-R26 IonicContact OE1-CZ 3.59Å; E23-R26 IonicContact OE1-NE 3.78Å; E23-R26 IonicContact OE1-NH2 2.64Å; E23-R26 PolarHBondContact OE1-NH2 3.35Å; E23-R26 IonicContact OE2-CZ 3.36Å; E23-R26 IonicContact OE2-NE 2.76Å; E23-R26 PolarHBondContact OE2-NE 2.78Å; E23-R26 IonicContact OE2-NH2 3.13Å; E23-R26 PolarHBondContact OE2-NH2 3.28Å; E23-R26 VanDerWaalsContact OE2-NH2 3.13Å; N24-R26 VanDerWaalsContact C-N 3.35Å; N24-R26 PolarHBondContact O-N 2.92Å; R26-H29 PolarHBondContact O-N 3.38Å; R26-S30 VanDerWaalsContact O-CB 3.3Å; R26-S30 WeakPolarHBondContact O-CB 3.31Å; R26-S30 PolarHBondContact O-N 3.38Å
27L95.3Very high92.6Very high3 Ų376.8 Ų76.82%0.01638%0.375CS..Hα-helixtrans-63.3-43.2178-70.4170.7000111.4E23 N24 V25 S30 L31 L46 V49 L50E23-L27 HydrophobicContact CG-CD1 3.94Å; E23-L27 HydrophobicContact CG-CG 4.25Å; E23-L27 WeakPolarHBondContact O-CB 3.21Å; E23-L27 VanDerWaalsContact O-CG 3.25Å; E23-L27 WeakPolarHBondContact O-CG 3.37Å; E23-L27 PolarHBondContact O-N 3.38Å; N24-L27 PolarHBondContact O-N 3.46Å; V25-L27 PolarHBondContact O-N 2.93Å; L27-S30 PolarHBondContact O-N 3.48Å; L27-L31 WeakPolarHBondContact O-CB 3.42Å; L27-L31 PolarHBondContact O-N 3.13Å; L27-L46 HydrophobicContact CD2-CD2 3.47Å; L27-L46 VanDerWaalsContact CD2-CD2 3.47Å; L27-V49 HydrophobicContact CD1-CB 4.13Å; L27-V49 HydrophobicContact CD1-CG1 3.62Å; L27-V49 HydrophobicContact CD2-CB 4.37Å; L27-V49 HydrophobicContact CD2-CG1 4.26Å; L27-L50 HydrophobicContact CB-CB 4.43Å; L27-L50 HydrophobicContact CB-CD1 4.38Å; L27-L50 HydrophobicContact CD1-CB 4.21Å
28I94.3Very high92.3Very high75 Ų7577 Ų7739%0.38539%0.39SS..Hα-helixtrans-62.7-47.8177.5-70164000110.7N24 V25 S30 L31 M32 L50N24-I28 WeakPolarHBondContact O-CB 3.27Å; N24-I28 WeakPolarHBondContact O-CD1 3.3Å; N24-I28 VanDerWaalsContact O-CG1 3.23Å; N24-I28 WeakPolarHBondContact O-CG1 3.27Å; N24-I28 PolarHBondContact O-N 2.98Å; V25-I28 PolarHBondContact O-N 3.44Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.45Å; I28-L31 PolarHBondContact O-N 2.88Å; I28-M32 HydrophobicContact CG2-SD 4.06Å; I28-M32 VanDerWaalsContact O-CG 3.27Å; I28-M32 WeakPolarHBondContact O-CG 3.17Å; I28-M32 PolarHBondContact O-N 3.36Å; I28-L50 HydrophobicContact CD1-CD1 4.44Å; I28-L50 HydrophobicContact CG1-CD1 4.15Å; I28-L50 HydrophobicContact CG1-CD2 3.81Å
29H95Very high92.1Very high123 Ų12373.3 Ų73.357%0.56938%0.376SS*.Hα-helixtrans-61.4-43.4177.2-69172.7000112.1V25 R26 M32 A33V25-H29 PolarHBondContact O-N 3.47Å; R26-H29 PolarHBondContact O-N 3.38Å; H29-M32 PolarHBondContact O-N 2.97Å; H29-A33 PolarHBondContact O-N 2.94Å; H29-A33 VanDerWaalsContact O-N 3.07Å
30S92.3Very high91.8Very high28 Ų2871.3 Ų71.320%0.19638%0.376CS..Hα-helixtrans-63.7-44.3176.7-171.80000111.1R26 L27 I28 M32 A33 H34 L46R26-S30 VanDerWaalsContact O-CB 3.3Å; R26-S30 WeakPolarHBondContact O-CB 3.31Å; R26-S30 PolarHBondContact O-N 3.38Å; L27-S30 PolarHBondContact O-N 3.48Å; I28-S30 VanDerWaalsContact C-N 3.34Å; I28-S30 PolarHBondContact O-N 3.45Å; S30-M32 PolarHBondContact O-N 3.31Å; S30-A33 WeakPolarHBondContact O-CB 3.41Å; S30-A33 PolarHBondContact O-N 3.16Å; S30-A33 VanDerWaalsContact O-N 3.13Å; S30-H34 PolarHBondContact O-N 3.17Å; S30-H34 PolarHBondContact O-ND1 3.21Å; S30-H34 PolarHBondContact OG-CE1 3.04Å; S30-H34 VanDerWaalsContact OG-CE1 3.25Å; S30-H34 PolarHBondContact OG-ND1 3.19Å; S30-L46 VanDerWaalsContact OG-CD1 3.25Å; S30-L46 WeakPolarHBondContact OG-CD1 3.4Å
31L93.3Very high91.7Very high19 Ų1978.1 Ų78.110%0.09941%0.405CS..Hα-helixtrans-60.6-46.3179.1179.260000110.8L27 I28 A33 H34 Q35 A43 L46 E47L27-L31 WeakPolarHBondContact O-CB 3.42Å; L27-L31 PolarHBondContact O-N 3.13Å; I28-L31 PolarHBondContact O-N 2.88Å; L31-A33 VanDerWaalsContact C-N 3.28Å; L31-A33 PolarHBondContact O-N 3Å; L31-H34 PolarHBondContact O-N 2.83Å; L31-Q35 HydrophobicContact CD1-CG 4.01Å; L31-Q35 HydrophobicContact CG-CG 4.37Å; L31-Q35 WeakPolarHBondContact O-CB 3.47Å; L31-Q35 VanDerWaalsContact O-CG 3.3Å; L31-Q35 WeakPolarHBondContact O-CG 3.47Å; L31-Q35 PolarHBondContact O-N 3.23Å; L31-A43 HydrophobicContact CD1-CB 3.63Å; L31-A43 WeakPolarHBondContact CD1-O 3.25Å; L31-L46 HydrophobicContact CB-CB 4.35Å; L31-L46 HydrophobicContact CB-CD1 4.47Å; L31-L46 HydrophobicContact CD1-CB 4.3Å; L31-E47 HydrophobicContact CD1-CG 3.77Å; L31-E47 HydrophobicContact CD2-CG 3.62Å; L31-E47 HydrophobicContact CG-CG 4.36Å
32M91.8Very high91.5Very high83 Ų8379 Ų7941%0.40941%0.407SS..Hα-helixtrans-58.9-38.7175.1-7017470.200112.2I28 H29 S30 R36I28-M32 HydrophobicContact CG2-SD 4.06Å; I28-M32 VanDerWaalsContact O-CG 3.27Å; I28-M32 WeakPolarHBondContact O-CG 3.17Å; I28-M32 PolarHBondContact O-N 3.36Å; H29-M32 PolarHBondContact O-N 2.97Å; S30-M32 PolarHBondContact O-N 3.31Å; M32-R36 WeakPolarHBondContact O-CD 3.48Å; M32-R36 WeakPolarHBondContact O-CG 3.23Å; M32-R36 PolarHBondContact O-N 2.85Å
33A91.7Very high91.2Very high47 Ų4775.1 Ų75.139%0.38839%0.387SS..Hα-helixtrans-68.6-44.4176.700000112.3H29 S30 L31 R36 V37H29-A33 PolarHBondContact O-N 2.94Å; H29-A33 VanDerWaalsContact O-N 3.07Å; S30-A33 WeakPolarHBondContact O-CB 3.41Å; S30-A33 PolarHBondContact O-N 3.16Å; S30-A33 VanDerWaalsContact O-N 3.13Å; L31-A33 VanDerWaalsContact C-N 3.28Å; L31-A33 PolarHBondContact O-N 3Å; A33-R36 PolarHBondContact O-N 3.25Å; A33-V37 PolarHBondContact O-N 3.39Å
34H89.6Confident91.1Very high55 Ų5576.2 Ų76.226%0.25540%0.397SS..Hα-helixtrans-69.6-37.2-178.7-72.682.4000112.3S30 L31 R36 V37 G38 A39 E42 A43 L46S30-H34 PolarHBondContact O-N 3.17Å; S30-H34 PolarHBondContact O-ND1 3.21Å; S30-H34 PolarHBondContact OG-CE1 3.04Å; S30-H34 VanDerWaalsContact OG-CE1 3.25Å; S30-H34 PolarHBondContact OG-ND1 3.19Å; L31-H34 PolarHBondContact O-N 2.83Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 PolarHBondContact O-N 2.94Å; H34-V37 WeakPolarHBondContact O-CG2 3.44Å; H34-V37 PolarHBondContact O-N 3.44Å; H34-G38 PolarHBondContact O-N 3.28Å; H34-G38 VanDerWaalsContact O-N 3.16Å; H34-A39 HydrophobicContact CB-CB 4.04Å; H34-A39 PolarHBondContact O-N 3.12Å; H34-E42 HydrophobicContact CB-CB 4.47Å; H34-E42 WeakPolarHBondContact CD2-CB 3.46Å; H34-A43 HydrophobicContact CB-CB 4.37Å; H34-L46 HydrophobicContact CB-CD1 4.48Å
35Q89.4Confident91Very high106 Ų10680.8 Ų80.850%0.49542%0.419SS..Hα-helixtrans-64-36.6173.3-72.9177.7-5.300112L31 V37 G38 A43 E47L31-Q35 HydrophobicContact CD1-CG 4.01Å; L31-Q35 HydrophobicContact CG-CG 4.37Å; L31-Q35 WeakPolarHBondContact O-CB 3.47Å; L31-Q35 VanDerWaalsContact O-CG 3.3Å; L31-Q35 WeakPolarHBondContact O-CG 3.47Å; L31-Q35 PolarHBondContact O-N 3.23Å; Q35-V37 VanDerWaalsContact C-N 3.35Å; Q35-V37 PolarHBondContact O-N 3.38Å; Q35-G38 PolarHBondContact O-N 3.1Å; Q35-A43 HydrophobicContact CG-CB 4.16Å; Q35-E47 PolarHBondContact NE2-OE1 3.44Å
36R88.6Confident90.8Very high196 Ų19678.3 Ų78.374%0.7440%0.403SS*.Hα-helixtrans-66-33.6177.2-74.9168-174.4169.51.3113.5M32 A33 H34M32-R36 WeakPolarHBondContact O-CD 3.48Å; M32-R36 WeakPolarHBondContact O-CG 3.23Å; M32-R36 PolarHBondContact O-N 2.85Å; A33-R36 PolarHBondContact O-N 3.25Å; H34-R36 VanDerWaalsContact C-N 3.32Å; H34-R36 PolarHBondContact O-N 2.94Å
37V89.8Confident90.7Very high115 Ų11576.1 Ų76.170%0.69740%0.398SS*.Hα-helixtrans-92.2-2.4180-59.20000113.4A33 H34 Q35 A39A33-V37 PolarHBondContact O-N 3.39Å; H34-V37 WeakPolarHBondContact O-CG2 3.44Å; H34-V37 PolarHBondContact O-N 3.44Å; Q35-V37 VanDerWaalsContact C-N 3.35Å; Q35-V37 PolarHBondContact O-N 3.38Å; V37-A39 HydrophobicContact CG2-CB 3.76Å
38G85.1Confident90.7Very high54 Ų5484.3 Ų84.356%0.55743%0.429SS*.THydrogen-bonded Turntrans76.919.6-177.700000114.4H34 Q35 V40H34-G38 PolarHBondContact O-N 3.28Å; H34-G38 VanDerWaalsContact O-N 3.16Å; Q35-G38 PolarHBondContact O-N 3.1Å; G38-V40 VanDerWaalsContact C-N 3.25Å; G38-V40 PolarHBondContact O-N 3.16Å
39A86.9Confident90.7Very high20 Ų2083 Ų8317%0.16542%0.424CS..  trans-79.271.2177.300000110.8H34 V37 K41 E42 A43H34-A39 HydrophobicContact CB-CB 4.04Å; H34-A39 PolarHBondContact O-N 3.12Å; V37-A39 HydrophobicContact CG2-CB 3.76Å; A39-K41 VanDerWaalsContact C-N 3.32Å; A39-K41 PolarHBondContact O-N 3.42Å; A39-E42 HydrophobicContact CB-CB 4.37Å; A39-E42 WeakPolarHBondContact CB-OE2 3.39Å; A39-E42 PolarHBondContact O-N 3.38Å; A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.17Å
40V85.2Confident90.6Very high104 Ų10478.2 Ų78.263%0.6340%0.403SS*.Hα-helixtrans-61.4-39.1-172.6-179.40000111.9G38 A43 V44G38-V40 VanDerWaalsContact C-N 3.25Å; G38-V40 PolarHBondContact O-N 3.16Å; V40-A43 PolarHBondContact O-N 2.91Å; V40-V44 HydrophobicContact CG1-CG2 4.32Å; V40-V44 VanDerWaalsContact O-CG2 3.27Å; V40-V44 WeakPolarHBondContact O-CG2 3.25Å; V40-V44 PolarHBondContact O-N 2.9Å
41K88.5Confident90.8Very high172 Ų17282.6 Ų82.675%0.74842%0.42SS*.Hα-helixtrans-65-46.9-177.1-175.8-176.4176.6-172.30111.3A39 A43 V44 E45A39-K41 VanDerWaalsContact C-N 3.32Å; A39-K41 PolarHBondContact O-N 3.42Å; K41-A43 VanDerWaalsContact C-N 3.35Å; K41-V44 PolarHBondContact O-N 2.94Å; K41-E45 PolarHBondContact O-N 3.01Å
42E89.3Confident90.9Very high91 Ų9190.6 Ų90.643%0.42545%0.449SS..Hα-helixtrans-66.8-39.7177.7-65.873.7-164.100110.8H34 A39 E45 L46H34-E42 HydrophobicContact CB-CB 4.47Å; H34-E42 WeakPolarHBondContact CD2-CB 3.46Å; A39-E42 HydrophobicContact CB-CB 4.37Å; A39-E42 WeakPolarHBondContact CB-OE2 3.39Å; A39-E42 PolarHBondContact O-N 3.38Å; E42-E45 PolarHBondContact O-N 3.33Å; E42-L46 VanDerWaalsContact O-CG 3.24Å; E42-L46 WeakPolarHBondContact O-CG 3.5Å; E42-L46 PolarHBondContact O-N 3.38Å
43A89.9Confident91Very high6 Ų687.2 Ų87.25%0.0543%0.432CS..Hα-helixtrans-59.3-46.7175.600000112.2L31 H34 Q35 A39 V40 K41 E45 L46 E47L31-A43 HydrophobicContact CD1-CB 3.63Å; L31-A43 WeakPolarHBondContact CD1-O 3.25Å; H34-A43 HydrophobicContact CB-CB 4.37Å; Q35-A43 HydrophobicContact CG-CB 4.16Å; A39-A43 WeakPolarHBondContact O-CB 3.22Å; A39-A43 PolarHBondContact O-N 3.17Å; V40-A43 PolarHBondContact O-N 2.91Å; K41-A43 VanDerWaalsContact C-N 3.35Å; A43-E45 VanDerWaalsContact C-N 3.32Å; A43-E45 PolarHBondContact O-N 3.04Å; A43-L46 PolarHBondContact O-N 3.06Å; A43-E47 WeakPolarHBondContact O-CG 3.43Å; A43-E47 PolarHBondContact O-N 3.42Å
44V91.1Very high91.2Very high80 Ų8089.3 Ų89.349%0.48544%0.436SS..Hα-helixtrans-61.7-39.3179.9169.90000112V40 K41 E47 R48V40-V44 HydrophobicContact CG1-CG2 4.32Å; V40-V44 VanDerWaalsContact O-CG2 3.27Å; V40-V44 WeakPolarHBondContact O-CG2 3.25Å; V40-V44 PolarHBondContact O-N 2.9Å; K41-V44 PolarHBondContact O-N 2.94Å; V44-E47 PolarHBondContact O-N 3.42Å; V44-R48 WeakPolarHBondContact O-CB 3.43Å; V44-R48 PolarHBondContact O-N 3.4Å
45E92.7Very high91.5Very high107 Ų10790.9 Ų90.950%0.545%0.446SS..Hα-helixtrans-68.8-40.9177.4-171.358.4-155.900111.4K41 E42 A43 E47 R48 V49K41-E45 PolarHBondContact O-N 3.01Å; E42-E45 PolarHBondContact O-N 3.33Å; A43-E45 VanDerWaalsContact C-N 3.32Å; A43-E45 PolarHBondContact O-N 3.04Å; E45-E47 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 2.94Å; E45-R48 PolarHBondContact O-N 3.26Å; E45-V49 WeakPolarHBondContact O-CG2 3.35Å; E45-V49 PolarHBondContact O-N 2.95Å
46L92.6Very high91.7Very high26 Ų2690 Ų9014%0.13644%0.439CS..Hα-helixtrans-61.4-40.9174.9-67.6167.6000111.5L27 S30 L31 H34 E42 A43 V49 L50L27-L46 HydrophobicContact CD2-CD2 3.47Å; L27-L46 VanDerWaalsContact CD2-CD2 3.47Å; S30-L46 VanDerWaalsContact OG-CD1 3.25Å; S30-L46 WeakPolarHBondContact OG-CD1 3.4Å; L31-L46 HydrophobicContact CB-CB 4.35Å; L31-L46 HydrophobicContact CB-CD1 4.47Å; L31-L46 HydrophobicContact CD1-CB 4.3Å; H34-L46 HydrophobicContact CB-CD1 4.48Å; E42-L46 VanDerWaalsContact O-CG 3.24Å; E42-L46 WeakPolarHBondContact O-CG 3.5Å; E42-L46 PolarHBondContact O-N 3.38Å; A43-L46 PolarHBondContact O-N 3.06Å; L46-V49 PolarHBondContact O-N 3.39Å; L46-L50 VanDerWaalsContact O-CB 3.25Å; L46-L50 WeakPolarHBondContact O-CB 3.44Å; L46-L50 PolarHBondContact O-N 3.08Å
47E92.2Very high92Very high89 Ų8981.9 Ų81.942%0.41641%0.41SS..Hα-helixtrans-61.3-43.7174.4-76176.5170.100111.9L31 Q35 A43 V44 E45 V49 L50 H51L31-E47 HydrophobicContact CD1-CG 3.77Å; L31-E47 HydrophobicContact CD2-CG 3.62Å; L31-E47 HydrophobicContact CG-CG 4.36Å; Q35-E47 PolarHBondContact NE2-OE1 3.44Å; A43-E47 WeakPolarHBondContact O-CG 3.43Å; A43-E47 PolarHBondContact O-N 3.42Å; V44-E47 PolarHBondContact O-N 3.42Å; E45-E47 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 2.94Å; E47-V49 PolarHBondContact O-N 2.92Å; E47-L50 PolarHBondContact O-N 3.29Å; E47-H51 VanDerWaalsContact O-CB 3.29Å; E47-H51 WeakPolarHBondContact O-CB 3.49Å; E47-H51 PolarHBondContact O-N 3.42Å
48R95.1Very high92.1Very high174 Ų17479.1 Ų79.166%0.65740%0.399SS*.Hα-helixtrans-62.7-44.5179.5-179.1-180157.271.73111.9V44 E45 R52V44-R48 WeakPolarHBondContact O-CB 3.43Å; V44-R48 PolarHBondContact O-N 3.4Å; E45-R48 PolarHBondContact O-N 3.26Å; R48-R52 PolarHBondContact O-N 3.18Å; R48-R52 VanDerWaalsContact O-N 3.11Å
49V93.9Very high92.4Very high48 Ų4879.4 Ų79.429%0.29139%0.39SS..Hα-helixtrans-66.6-45.9177.6-1800000110.4L27 E45 L46 E47 H51 R52 N53L27-V49 HydrophobicContact CD1-CB 4.13Å; L27-V49 HydrophobicContact CD1-CG1 3.62Å; L27-V49 HydrophobicContact CD2-CB 4.37Å; L27-V49 HydrophobicContact CD2-CG1 4.26Å; E45-V49 WeakPolarHBondContact O-CG2 3.35Å; E45-V49 PolarHBondContact O-N 2.95Å; L46-V49 PolarHBondContact O-N 3.39Å; E47-V49 PolarHBondContact O-N 2.92Å; V49-H51 VanDerWaalsContact C-N 3.34Å; V49-H51 PolarHBondContact O-N 2.98Å; V49-R52 PolarHBondContact O-N 3.06Å; V49-N53 PolarHBondContact O-N 3.46Å
50L94.9Very high92.5Very high22 Ų2278.8 Ų78.812%0.11538%0.384CS..Hα-helixtrans-58.6-46.6178.5-18061.8000111.2N24 L27 I28 L46 E47 R52 N53 L54N24-L50 HydrophobicContact CB-CD1 3.86Å; L27-L50 HydrophobicContact CB-CB 4.43Å; L27-L50 HydrophobicContact CB-CD1 4.38Å; L27-L50 HydrophobicContact CD1-CB 4.21Å; I28-L50 HydrophobicContact CD1-CD1 4.44Å; I28-L50 HydrophobicContact CG1-CD1 4.15Å; I28-L50 HydrophobicContact CG1-CD2 3.81Å; L46-L50 VanDerWaalsContact O-CB 3.25Å; L46-L50 WeakPolarHBondContact O-CB 3.44Å; L46-L50 PolarHBondContact O-N 3.08Å; E47-L50 PolarHBondContact O-N 3.29Å; L50-R52 PolarHBondContact O-N 3.19Å; L50-N53 PolarHBondContact O-N 3.11Å; L50-L54 HydrophobicContact CD1-CD1 4.41Å; L50-L54 HydrophobicContact CD1-CG 4.37Å; L50-L54 HydrophobicContact CG-CD1 4.2Å; L50-L54 WeakPolarHBondContact O-CG 3.37Å; L50-L54 PolarHBondContact O-N 3.26Å
51H95.4Very high92.6Very high121 Ų12176.3 Ų76.356%0.5638%0.375SS*.Hα-helixtrans-60.4-46.4178.2-178-102.4000111.8E47 V49 N53 L54 I55E47-H51 VanDerWaalsContact O-CB 3.29Å; E47-H51 WeakPolarHBondContact O-CB 3.49Å; E47-H51 PolarHBondContact O-N 3.42Å; V49-H51 VanDerWaalsContact C-N 3.34Å; V49-H51 PolarHBondContact O-N 2.98Å; H51-N53 VanDerWaalsContact C-N 3.25Å; H51-N53 PolarHBondContact O-N 2.96Å; H51-L54 PolarHBondContact O-N 3.28Å; H51-I55 WeakPolarHBondContact O-CG1 3.29Å; H51-I55 PolarHBondContact O-N 3.02Å
52R95.7Very high92.5Very high186 Ų18673 Ų7370%0.70237%0.365SS*.Hα-helixtrans-56.2-43.1176.5-178.7-179.3177.3-118.51111.5R48 V49 L50 Y56R48-R52 PolarHBondContact O-N 3.18Å; R48-R52 VanDerWaalsContact O-N 3.11Å; V49-R52 PolarHBondContact O-N 3.06Å; L50-R52 PolarHBondContact O-N 3.19Å; R52-Y56 WeakPolarHBondContact O-CB 3.34Å; R52-Y56 PolarHBondContact O-N 3.5Å
53N93.8Very high92.3Very high12 Ų1271 Ų716%0.06435%0.354CS..Hα-helixtrans-66.5-45.2179.4-70.8-4000111.9M20 N24 V49 L50 H51 I55 Y56 L57M20-N53 HydrophobicContact CE-CB 3.74Å; M20-N53 WeakPolarHBondContact CE-OD1 3.49Å; N24-N53 WeakPolarHBondContact OD1-CB 3.07Å; N24-N53 PolarHBondContact OD1-ND2 2.85Å; V49-N53 PolarHBondContact O-N 3.46Å; L50-N53 PolarHBondContact O-N 3.11Å; H51-N53 VanDerWaalsContact C-N 3.25Å; H51-N53 PolarHBondContact O-N 2.96Å; N53-I55 PolarHBondContact O-N 3.46Å; N53-Y56 PolarHBondContact O-N 3.38Å; N53-L57 WeakPolarHBondContact O-CB 3.38Å; N53-L57 VanDerWaalsContact O-CG 3.27Å; N53-L57 WeakPolarHBondContact O-CG 3.29Å; N53-L57 PolarHBondContact O-N 3.35Å
54L95.9Very high91.7Very high91 Ų9174 Ų7448%0.47637%0.372SS..Hα-helixtrans-61.8-44178.9-68.3177.1000112.1L50 H51 Y56 L57 A58L50-L54 HydrophobicContact CD1-CD1 4.41Å; L50-L54 HydrophobicContact CD1-CG 4.37Å; L50-L54 HydrophobicContact CG-CD1 4.2Å; L50-L54 WeakPolarHBondContact O-CG 3.37Å; L50-L54 PolarHBondContact O-N 3.26Å; H51-L54 PolarHBondContact O-N 3.28Å; L54-Y56 VanDerWaalsContact C-N 3.35Å; L54-Y56 PolarHBondContact O-N 3.22Å; L54-L57 PolarHBondContact O-N 2.88Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.5Å
55I95.1Very high90.9Very high89 Ų8973 Ų7346%0.45637%0.372SS..Hα-helixtrans-64.2-41.7176.2-62.6-58000111H51 N53 A58 T59H51-I55 WeakPolarHBondContact O-CG1 3.29Å; H51-I55 PolarHBondContact O-N 3.02Å; N53-I55 PolarHBondContact O-N 3.46Å; I55-A58 PolarHBondContact O-N 3.27Å; I55-T59 WeakPolarHBondContact O-CB 3.47Å; I55-T59 PolarHBondContact O-N 3.49Å; I55-T59 PolarHBondContact O-OG1 3.23Å
56Y94.4Very high89.4Confident87 Ų8771 Ų7134%0.34137%0.367SS..Hα-helixtrans-62.6-44.1176.7-179.8-103.6000111.8M20 R52 N53 L54 T59 I60M20-Y56 HydrophobicContact CE-CD1 3.24Å; M20-Y56 HydrophobicContact CE-CE1 3.99Å; M20-Y56 HydrophobicContact CE-CG 3.97Å; M20-Y56 HydrophobicContact SD-CD1 3.29Å; M20-Y56 WeakPolarHBondContact SD-CD1 3.28Å; M20-Y56 HydrophobicContact SD-CE1 3.38Å; M20-Y56 WeakPolarHBondContact SD-CE1 3.35Å; M20-Y56 HydrophobicContact SD-CG 4.45Å; R52-Y56 WeakPolarHBondContact O-CB 3.34Å; R52-Y56 PolarHBondContact O-N 3.5Å; N53-Y56 PolarHBondContact O-N 3.38Å; L54-Y56 VanDerWaalsContact C-N 3.35Å; L54-Y56 PolarHBondContact O-N 3.22Å; Y56-T59 PolarHBondContact O-N 2.88Å; Y56-I60 HydrophobicContact CD1-CD1 3.48Å; Y56-I60 VanDerWaalsContact CD1-CD1 3.48Å; Y56-I60 HydrophobicContact CD1-CG1 4.41Å; Y56-I60 HydrophobicContact CE1-CD1 3.09Å; Y56-I60 HydrophobicContact CE1-CG1 4.15Å; Y56-I60 HydrophobicContact CE2-CD1 4.19Å; Y56-I60 HydrophobicContact CE2-CG1 4.46Å; Y56-I60 HydrophobicContact CG-CD1 4.25Å; Y56-I60 VanDerWaalsContact CZ-CD1 3.48Å; Y56-I60 WeakPolarHBondContact O-CG1 3.42Å; Y56-I60 PolarHBondContact O-N 3.36Å
57L94.1Very high87.7Confident25 Ų2576.7 Ų76.713%0.13139%0.393CS..Hα-helixtrans-62.8-43.1175.7-70.7171.3000111.7I17 M20 L21 N24 N53 L54 T59 I60 A61I17-L57 HydrophobicContact CG2-CD2 3.72Å; M20-L57 HydrophobicContact CB-CD2 4.41Å; M20-L57 HydrophobicContact CE-CG 4.49Å; L21-L57 HydrophobicContact CD2-CD1 3.71Å; N24-L57 WeakPolarHBondContact ND2-CD1 3.33Å; N53-L57 WeakPolarHBondContact O-CB 3.38Å; N53-L57 VanDerWaalsContact O-CG 3.27Å; N53-L57 WeakPolarHBondContact O-CG 3.29Å; N53-L57 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 2.88Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 2.97Å; L57-I60 PolarHBondContact O-N 3.47Å; L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 2.93Å
58A92.4Very high86Confident58 Ų5880.5 Ų80.548%0.47941%0.41SS..Hα-helixtrans-61.4-40.8174.700000111.9L54 I55 A61 D62L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.5Å; I55-A58 PolarHBondContact O-N 3.27Å; A58-A61 PolarHBondContact O-N 3.26Å; A58-D62 WeakPolarHBondContact O-CB 3.27Å; A58-D62 PolarHBondContact O-N 3.4Å
59T91.2Very high84.3Confident60 Ų6076.1 Ų76.137%0.36841%0.411SS..Hα-helixtrans-65.8-39.7176.9-51.40000111.6I55 Y56 L57 R63I55-T59 WeakPolarHBondContact O-CB 3.47Å; I55-T59 PolarHBondContact O-N 3.49Å; I55-T59 PolarHBondContact O-OG1 3.23Å; Y56-T59 PolarHBondContact O-N 2.88Å; L57-T59 VanDerWaalsContact C-N 3.32Å; L57-T59 PolarHBondContact O-N 2.97Å; T59-R63 WeakPolarHBondContact O-CB 3.33Å; T59-R63 VanDerWaalsContact O-CG 3.25Å; T59-R63 WeakPolarHBondContact O-CG 3.46Å; T59-R63 PolarHBondContact O-N 3.32Å; T59-R63 VanDerWaalsContact O-N 3.14Å; T59-R63 PolarHBondContact O-NE 3.16Å; T59-R63 VanDerWaalsContact O-NE 3.11Å
60I88.5Confident82.4Confident6 Ų679.8 Ų79.83%0.03143%0.433CS..Hα-helixtrans-65.5-47.9173.4-65.8163000110.2I12 I17 Y56 L57 D62 R63 T64I12-I60 HydrophobicContact CB-CD1 4.47Å; I12-I60 HydrophobicContact CD1-CB 4.49Å; I12-I60 HydrophobicContact CD1-CD1 4.42Å; I12-I60 HydrophobicContact CD1-CG1 3.8Å; I12-I60 HydrophobicContact CD1-CG2 4.09Å; I12-I60 HydrophobicContact CG1-CD1 4.09Å; I12-I60 HydrophobicContact CG1-CG1 4.02Å; I12-I60 HydrophobicContact CG2-CD1 3.7Å; I12-I60 HydrophobicContact CG2-CG1 4.38Å; I12-I60 HydrophobicContact CG2-CG2 4.37Å; I17-I60 HydrophobicContact CD1-CG2 4.08Å; I17-I60 HydrophobicContact CG1-CD1 4.37Å; Y56-I60 HydrophobicContact CD1-CD1 3.48Å; Y56-I60 VanDerWaalsContact CD1-CD1 3.48Å; Y56-I60 HydrophobicContact CD1-CG1 4.41Å; Y56-I60 HydrophobicContact CE1-CD1 3.09Å; Y56-I60 HydrophobicContact CE1-CG1 4.15Å; Y56-I60 HydrophobicContact CE2-CD1 4.19Å; Y56-I60 HydrophobicContact CE2-CG1 4.46Å; Y56-I60 HydrophobicContact CG-CD1 4.25Å; Y56-I60 VanDerWaalsContact CZ-CD1 3.48Å; Y56-I60 WeakPolarHBondContact O-CG1 3.42Å; Y56-I60 PolarHBondContact O-N 3.36Å; L57-I60 PolarHBondContact O-N 3.47Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.88Å; I60-R63 PolarHBondContact O-N 3.39Å; I60-R63 VanDerWaalsContact O-N 3.16Å; I60-T64 HydrophobicContact CG2-CG2 4.19Å; I60-T64 WeakPolarHBondContact O-CG2 3.37Å; I60-T64 PolarHBondContact O-N 2.95Å; I60-T64 PolarHBondContact O-OG1 2.74Å
61A87.6Confident80.2Confident53 Ų5381 Ų8144%0.43845%0.45SS..Hα-helixtrans-57.7-44.9-179.400000111.6L57 A58 T64 A65L57-A61 WeakPolarHBondContact O-CB 3.32Å; L57-A61 PolarHBondContact O-N 2.93Å; A58-A61 PolarHBondContact O-N 3.26Å; A61-T64 WeakPolarHBondContact CA-OG1 3.25Å; A61-T64 PolarHBondContact O-N 2.77Å; A61-T64 PolarHBondContact O-OG1 3.44Å; A61-A65 WeakPolarHBondContact O-CB 3.37Å; A61-A65 PolarHBondContact O-N 3.18Å
62D86.2Confident77.6Confident101 Ų10181.3 Ų81.354%0.5446%0.463SS..Hα-helixtrans-62.7-43.2176-17470000112.1A58 I60 T64 A65 T66A58-D62 WeakPolarHBondContact O-CB 3.27Å; A58-D62 PolarHBondContact O-N 3.4Å; I60-D62 VanDerWaalsContact C-N 3.32Å; I60-D62 PolarHBondContact O-N 2.88Å; D62-T64 VanDerWaalsContact C-N 3.34Å; D62-T64 PolarHBondContact O-N 3.28Å; D62-A65 PolarHBondContact O-N 3.25Å; D62-T66 WeakPolarHBondContact O-CB 3.34Å; D62-T66 VanDerWaalsContact O-CG2 3.31Å; D62-T66 WeakPolarHBondContact O-CG2 3.42Å; D62-T66 PolarHBondContact O-N 3.29Å; D62-T66 PolarHBondContact O-OG1 2.86Å
63R85.7Confident75.2Confident51 Ų5178.5 Ų78.519%0.19247%0.467CS..Hα-helixtrans-66.5-32.8175.5-71.8-179.3-63.1-164.312.3113.6E9 T59 I60 T66 Q67E9-R63 IonicContact OE1-NH1 3.34Å; E9-R63 PolarHBondContact OE1-NH1 2.75Å; E9-R63 IonicContact OE2-CZ 3.49Å; E9-R63 IonicContact OE2-NH1 2.61Å; E9-R63 PolarHBondContact OE2-NH1 2.9Å; E9-R63 IonicContact OE2-NH2 3.81Å; T59-R63 WeakPolarHBondContact O-CB 3.33Å; T59-R63 VanDerWaalsContact O-CG 3.25Å; T59-R63 WeakPolarHBondContact O-CG 3.46Å; T59-R63 PolarHBondContact O-N 3.32Å; T59-R63 VanDerWaalsContact O-N 3.14Å; T59-R63 PolarHBondContact O-NE 3.16Å; T59-R63 VanDerWaalsContact O-NE 3.11Å; I60-R63 PolarHBondContact O-N 3.39Å; I60-R63 VanDerWaalsContact O-N 3.16Å; R63-T66 VanDerWaalsContact CA-OG1 3.31Å; R63-T66 WeakPolarHBondContact CA-OG1 3.35Å; R63-T66 PolarHBondContact O-OG1 2.84Å; R63-Q67 WeakPolarHBondContact O-CG 3.38Å; R63-Q67 PolarHBondContact O-N 2.86Å; R63-Q67 PolarHBondContact O-NE2 3.3Å
64T78.3Confident72.7Confident69 Ų6982.4 Ų82.442%0.42350%0.496SS..Hα-helixtrans-73.6-41.5174.1530000110.9I60 A61 D62 Q67 H68I60-T64 HydrophobicContact CG2-CG2 4.19Å; I60-T64 WeakPolarHBondContact O-CG2 3.37Å; I60-T64 PolarHBondContact O-N 2.95Å; I60-T64 PolarHBondContact O-OG1 2.74Å; A61-T64 WeakPolarHBondContact CA-OG1 3.25Å; A61-T64 PolarHBondContact O-N 2.77Å; A61-T64 PolarHBondContact O-OG1 3.44Å; D62-T64 VanDerWaalsContact C-N 3.34Å; D62-T64 PolarHBondContact O-N 3.28Å; T64-Q67 PolarHBondContact O-N 3.45Å; T64-H68 PolarHBondContact O-CD2 3.42Å; T64-H68 PolarHBondContact O-N 2.89Å
65A73.2Confident70Confident59 Ų5982.1 Ų82.149%0.48850%0.5SS..Hα-helixtrans-67.5-41.1178.300000112.2A61 D62 H68 A69A61-A65 WeakPolarHBondContact O-CB 3.37Å; A61-A65 PolarHBondContact O-N 3.18Å; D62-A65 PolarHBondContact O-N 3.25Å; A65-H68 PolarHBondContact O-N 3.31Å; A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 2.92Å
66T61.7Low67.3Low64 Ų6483.4 Ų83.439%0.39352%0.517SS..Hα-helixtrans-66-38.217747.70000112.3D62 R63 H68 A69 V70D62-T66 WeakPolarHBondContact O-CB 3.34Å; D62-T66 VanDerWaalsContact O-CG2 3.31Å; D62-T66 WeakPolarHBondContact O-CG2 3.42Å; D62-T66 PolarHBondContact O-N 3.29Å; D62-T66 PolarHBondContact O-OG1 2.86Å; R63-T66 VanDerWaalsContact CA-OG1 3.31Å; R63-T66 WeakPolarHBondContact CA-OG1 3.35Å; R63-T66 PolarHBondContact O-OG1 2.84Å; T66-H68 PolarHBondContact O-N 3.11Å; T66-A69 PolarHBondContact O-N 2.61Å; T66-A69 VanDerWaalsContact O-N 3.07Å; T66-V70 WeakPolarHBondContact O-CG2 3.31Å; T66-V70 PolarHBondContact O-N 3.34Å
67Q56.6Low65.6Low146 Ų14686.7 Ų86.768%0.68254%0.535SS*.Hα-helixtrans-61.5-30.6172.8-81.1-178.372.800113.3R63 T64R63-Q67 WeakPolarHBondContact O-CG 3.38Å; R63-Q67 PolarHBondContact O-N 2.86Å; R63-Q67 PolarHBondContact O-NE2 3.3Å; T64-Q67 PolarHBondContact O-N 3.45Å
68H57.2Low63.3Low169 Ų16991 Ų9178%0.78257%0.565SS**Hα-helixtrans-84.8-18.4173.8-73.8-72.5000113.6T64 A65 T66T64-H68 PolarHBondContact O-CD2 3.42Å; T64-H68 PolarHBondContact O-N 2.89Å; A65-H68 PolarHBondContact O-N 3.31Å; T66-H68 PolarHBondContact O-N 3.11Å
69A57.5Low61.2Low81 Ų8195.4 Ų95.467%0.66958%0.579SS**Hα-helixtrans-87.7-22.3-178.800000114.1A65 T66 G71A65-A69 WeakPolarHBondContact O-CB 3.47Å; A65-A69 PolarHBondContact O-N 2.92Å; T66-A69 PolarHBondContact O-N 2.61Å; T66-A69 VanDerWaalsContact O-N 3.07Å; A69-G71 PolarHBondContact O-N 3.15Å
70V54.8Low59.1Low125 Ų12598.1 Ų98.176%0.75860%0.597SS**  trans-9563.9170.8-92.50000111.4T66T66-V70 WeakPolarHBondContact O-CG2 3.31Å; T66-V70 PolarHBondContact O-N 3.34Å
71G48.8Very low57.1Low47 Ų47103.4 Ų103.449%0.48564%0.635SS.*  trans-80.6140.815600000110.2A69 T73A69-G71 PolarHBondContact O-N 3.15Å; G71-T73 PolarHBondContact O-N 3.32Å
72P41.5Very low55.3Low128 Ų128105.1 Ų105.183%0.83164%0.644SS**  trans-77.692.4174.632.4-30.4000108.8
73T45.3Very low53.7Low127 Ų127107.8 Ų107.878%0.77966%0.657SS**  trans-117.384158.857.80000106G71G71-T73 PolarHBondContact O-N 3.32Å
74S41.7Very low51.8Low95 Ų95111.2 Ų111.266%0.66468%0.684SS**  36.5137.291.369.70000113.8
75C37.8Very low49.9Very low85 Ų85116.6 Ų116.657%0.57470%0.704SS**  trans74.584.4161.363.60000118.8H77C75-H77 WeakPolarHBondContact CB-CE1 3.31Å; C75-H77 PolarHBondContact O-CE1 3.44Å; C75-H77 PolarHBondContact O-N 3.34Å; C75-H77 PolarHBondContact O-ND1 3.47Å; C75-H77 PolarHBondContact SG-CE1 3.22Å
76S39.6Very low48.3Very low115 Ų115119.4 Ų119.480%0.80472%0.717SS**  -12.4114.8126.849.20000115.6
77H57Low47.1Very low156 Ų156123 Ų12372%0.72273%0.734SS**  trans-144.8118.7160.1-58.786.8000110.1C75C75-H77 WeakPolarHBondContact CB-CE1 3.31Å; C75-H77 PolarHBondContact O-CE1 3.44Å; C75-H77 PolarHBondContact O-N 3.34Å; C75-H77 PolarHBondContact O-ND1 3.47Å; C75-H77 PolarHBondContact SG-CE1 3.22Å
78P46.9Very low46.7Very low116 Ų116123.6 Ų123.675%0.75374%0.737SS**  trans-79.9136.2171.931.8-29.3000110.6
79I47.9Very low45.9Very low151 Ų151122.3 Ų122.377%0.77473%0.734SS**  trans22.1118.5145.5-22169.5000117.3
80P47.8Very low45Very low116 Ų116127.1 Ų127.175%0.75374%0.743SS**  trans-109.8110.3147.730.3-19.7000110.6S82P80-S82 PolarHBondContact O-N 3.28Å
81S45.9Very low44.2Very low117 Ų117128.1 Ų128.182%0.81874%0.744SS**  trans-57.3108.9158.8-52.40000109.5
82S50.3Low44.1Very low90 Ų90131.5 Ų131.563%0.62976%0.76SS**  trans-150.9104158.253.80000107.7P80P80-S82 PolarHBondContact O-N 3.28Å
83L52.6Low44.6Very low156 Ų156129.8 Ų129.882%0.81776%0.757SS**  81.194.5109.5-70.2163.1000112.9
84T44.8Very low45Very low123 Ų123129 Ų12976%0.75575%0.754SS**  44.898.812656.20000117.9
85Q39.4Very low45.3Very low182 Ų182131.8 Ų131.885%0.8576%0.762SS**  -170.3124.2128.6-126.9172.51.700111.4
86P38.9Very low45.9Very low118 Ų118137.1 Ų137.177%0.76677%0.771SS**  trans-82.3154.9155.934.3-26.6000108.6
87N37.7Very low46.3Very low140 Ų140137.5 Ų137.575%0.74977%0.771SS**  trans87101.3165.2-149.442.2000116.1
88Q46.3Very low45.7Very low158 Ų158138.3 Ų138.374%0.73878%0.78SS**  163.8102.9127.4-78.8-118.679.500110.6
89I40.3Very low45.7Very low142 Ų142138 Ų13873%0.72878%0.78SS**  trans16.2107.2134.4-45.1161000115.4
90Q40.3Very low45.4Very low182 Ų182136.9 Ų136.985%0.8578%0.78SS**  trans-155.7108.5149.9-151.4157.127.800111.7
91D38Very low45.3Very low146 Ų146138.2 Ų138.278%0.78179%0.786SS**  trans-50.8135167.8-73.6-90.5000112.5
92S46.9Very low44.9Very low119 Ų119139.2 Ų139.283%0.83278%0.782SS**  trans-15486.7163.9-70.40000108.9
93A51.7Low44.5Very low92 Ų92139.7 Ų139.776%0.7679%0.791SS**PPolyproline II helixtrans-93.2137.5165.600000109.6N95A93-N95 PolarHBondContact O-N 3.14Å
94P52.9Low43.9Very low111 Ų111137 Ų13772%0.72179%0.785SS**PPolyproline II helixtrans-72.6126.6179.326.5-30.3000111.8
95N47.6Very low44Very low153 Ų153136.7 Ų136.782%0.81879%0.788SS**PPolyproline II helixtrans-77.6123.6-179.2-171.59.4000111.1A93A93-N95 PolarHBondContact O-N 3.14Å
96Y50.4Low44.2Very low197 Ų197135.1 Ų135.177%0.77379%0.786SS**  trans-111.8131.7166-70.3-79.8000109.4L98Y96-L98 PolarHBondContact O-N 2.74Å
97P49.6Very low44.8Very low122 Ų122136.3 Ų136.379%0.79279%0.785SS**  trans-78.4113.9-176.130.3-32.7000111.1
98L43.9Very low45.3Very low174 Ų174134.8 Ų134.891%0.91179%0.785SS**  trans-83.8113.1161.9-78173.9000109.2Y96 V100Y96-L98 PolarHBondContact O-N 2.74Å; L98-V100 PolarHBondContact O-N 2.84Å
99S45.9Very low44.9Very low109 Ų109136.7 Ų136.776%0.76279%0.794SS**  trans-58.6126168.544.20000111.1
100V42.6Very low44.9Very low127 Ų127135.2 Ų135.277%0.7780%0.796SS**  trans-49.7128.6173.956.70000113.3L98L98-V100 PolarHBondContact O-N 2.84Å
101V45.6Very low45Very low145 Ų145131.8 Ų131.888%0.87979%0.793SS**  trans-129.4119.1148.6-69.60000108.8
102N37.5Very low45.5Very low138 Ų138131.3 Ų131.374%0.73880%0.795SS**  trans-84.2125.2-176.4174.846.9000109.8
103A42.3Very low45Very low100 Ų100134.2 Ų134.283%0.82680%0.8SS**  trans-151.8111.315800000109
104S39.8Very low44.4Very low99 Ų99133.2 Ų133.269%0.69280%0.798SS**  trans-61.9153.2-176-44.80000114.5
105S47.2Very low43.7Very low117 Ų117135.2 Ų135.282%0.81880%0.798SS**  trans159.389.6140.9-82.50000108
106D43.9Very low43.7Very low148 Ų148134.1 Ų134.179%0.79180%0.799SS**  57.3102.196.5-155.6-94.5000113.3
107L51.5Low43.4Very low144 Ų144131.8 Ų131.875%0.75480%0.795SS**  175118116.3-162.162000111.3
108S48Very low42.9Very low107 Ų107134.2 Ų134.275%0.74880%0.796SS**  trans66.3109.7147.8-57.80000122.6
109Q37.3Very low43.1Very low198 Ų198133.2 Ų133.293%0.92579%0.79SS**  trans-34.9134.8153.7-70.5165.813.600115.3
110S41.2Very low43.2Very low112 Ų112133.5 Ų133.578%0.78379%0.787SS**  -163.6121.1125.4-174.20000110.4
111S41.4Very low43.8Very low110 Ų110133.3 Ų133.377%0.76979%0.786SS**  trans-66.3127.1175.9-40.80000111.2
112V48.3Very low43.5Very low136 Ų136133 Ų13382%0.82478%0.779SS**  trans-158.5107.8146.7-83.60000111.2
113L37.3Very low44Very low180 Ų180131.7 Ų131.794%0.94278%0.781SS**  trans5.5115.6137.6-150.875000117.7
114G37.5Very low43.9Very low70 Ų70131.7 Ų131.772%0.72278%0.775SS**  trans81.587.1143.400000118.4
115Q39.9Very low44.5Very low153 Ų153133.3 Ų133.372%0.71578%0.78SS**  trans177.6142.9136.6-105.9179.225.300110.5H117Q115-H117 VanDerWaalsContact CB-CE1 3.42Å; Q115-H117 WeakPolarHBondContact CB-CE1 3.42Å; Q115-H117 PolarHBondContact O-N 2.96Å; Q115-H117 VanDerWaalsContact O-N 3.16Å; Q115-H117 PolarHBondContact OE1-CE1 3.14Å
116P45.8Very low44.4Very low131 Ų131135.1 Ų135.185%0.85178%0.776SS**  trans-76.8100.2165.431-28.2000108.3
117H45.2Very low44.2Very low148 Ų148135.7 Ų135.769%0.68577%0.774SS**  trans-79.2124.2173.4-67.4-10.9000110.5Q115Q115-H117 VanDerWaalsContact CB-CE1 3.42Å; Q115-H117 WeakPolarHBondContact CB-CE1 3.42Å; Q115-H117 PolarHBondContact O-N 2.96Å; Q115-H117 VanDerWaalsContact O-N 3.16Å; Q115-H117 PolarHBondContact OE1-CE1 3.14Å
118Q38.1Very low44.1Very low173 Ų173135.1 Ų135.181%0.80878%0.778SS**  trans-55131169.6-99-14578.200111.2T120Q118-T120 PolarHBondContact O-N 3.31Å
119I48Very low44.7Very low152 Ų152136.6 Ų136.678%0.77978%0.783SS**  trans-78.198.4164.2-60.8166.1000106.9V121I119-V121 HydrophobicContact CG2-CG1 4.26Å; I119-V121 PolarHBondContact O-N 3.19Å
120T49.1Very low45.4Very low116 Ų116133.3 Ų133.371%0.71278%0.779SS**  trans-79.7103.2167.4-60.80000108.8Q118Q118-T120 PolarHBondContact O-N 3.31Å
121V54.5Low45.8Very low123 Ų123136.3 Ų136.375%0.74578%0.783SS**  trans-84.9108.1164.7-80.20000109I119 S123I119-V121 HydrophobicContact CG2-CG1 4.26Å; I119-V121 PolarHBondContact O-N 3.19Å; V121-S123 PolarHBondContact O-N 3.2Å
122N39.7Very low46.2Very low137 Ų137136.1 Ų136.173%0.73379%0.787SS**  trans-73.1110.8172.4-174-6.5000108.6
123S47.6Very low46.5Very low111 Ų111135.7 Ų135.778%0.77679%0.785SS**  trans-13686.1169.1-67.40000108.1V121 V125V121-S123 PolarHBondContact O-N 3.2Å; S123-V125 PolarHBondContact O-N 3.07Å; S123-V125 VanDerWaalsContact O-N 3.15Å
124S40.9Very low47.7Very low101 Ų101129.9 Ų129.971%0.70677%0.769SS**  trans-71.689.8174.550.80000111.2
125V52.9Low48.6Very low132 Ų132132.8 Ų132.880%0.877%0.774SS**  trans-151.795146.3-162.80000108.6S123S123-V125 PolarHBondContact O-N 3.07Å; S123-V125 VanDerWaalsContact O-N 3.15Å
126Q44.1Very low49.2Very low156 Ų156131.9 Ų131.973%0.72978%0.78SS**  trans16.3124.2130.2-86.5175.823.500115.7
127H39.4Very low49Very low159 Ų159132.3 Ų132.374%0.73678%0.78SS**  cis-166.1149.225.4-39-105.4000108.2
128P50.2Low49Very low132 Ų132133 Ų13386%0.85779%0.787SS**  trans-129.8136.1156.627.8-11.2000114.4
129V61Low49.1Very low138 Ų138130 Ų13084%0.83679%0.785SS**  trans-76.4146.2171.7-72.40000111.4
130P50.7Low48.7Very low130 Ų130129 Ų12984%0.84479%0.787SS**  trans-86.5121.6-17733.2-30000110.6
131M50.8Low48.5Very low175 Ų175130.2 Ų130.286%0.86279%0.793SS**  trans-106.7104.5163.8-138.1-173.5-7000108.3V133M131-V133 PolarHBondContact O-N 3.39Å
132A48.3Very low47.8Very low105 Ų105127.9 Ų127.987%0.86879%0.794SS**  trans-73.5112.3173.300000108.9
133V55.9Low48.1Very low128 Ų128128.9 Ų128.978%0.77680%0.799SS**  trans-119.1111.2168.8-177.30000106.7M131M131-V133 PolarHBondContact O-N 3.39Å
134G62.9Low48.2Very low58 Ų58129.2 Ų129.260%0.59880%0.799SS**  trans-68.6156.4-178.800000112.6T136G134-T136 PolarHBondContact O-N 3.17Å
135P55.5Low48.6Very low130 Ų130131.2 Ų131.284%0.84480%0.8SS**  trans-79.1115.3178.531.4-30.9000109.8
136T52.2Low48.1Very low135 Ų135131.6 Ų131.683%0.82880%0.795SS**  trans-84.6110.716131.50000109G134 I138G134-T136 PolarHBondContact O-N 3.17Å; T136-I138 PolarHBondContact O-N 2.97Å
137T42.4Very low48.1Very low140 Ų140133.3 Ų133.386%0.85980%0.796SS**  trans-66.7119.216811.60000109.5
138I45.5Very low48.2Very low163 Ų163133.5 Ų133.584%0.83680%0.797SS**  trans-109.2119.1165-90.3174.6000108.3T136T136-I138 PolarHBondContact O-N 2.97Å
139S39.1Very low47.6Very low110 Ų110133.1 Ų133.177%0.76978%0.784SS**  trans-76.1130177.6-68.20000111.7
140T40Very low46.8Very low131 Ų131137 Ų13780%0.80479%0.785SS**  trans-22.6116.9156.7-51.80000116.1
141V43.8Very low46.9Very low141 Ų141138.1 Ų138.186%0.85578%0.783SS**  -174.8120.5112.4-93.30000109.7
142G41.8Very low46.7Very low73 Ų73134.7 Ų134.775%0.75377%0.772SS**SBendtrans96.6122.9168.700000115.1
143N44.8Very low46.6Very low158 Ų158134.9 Ų134.985%0.84577%0.767SS**  trans-47.1130.7170.5-92.5-34.9000111.1
144P49.1Very low46Very low119 Ų119134.5 Ų134.577%0.77377%0.77SS**  -140.8145.288.332.8-16.1000115.1
145I50.7Low45.2Very low143 Ų143135.9 Ų135.973%0.73378%0.776SS**  trans-58.9135.4174.6-67.8-178.4000110.8Y147I145-Y147 HydrophobicContact CG2-CD2 3.59Å; I145-Y147 HydrophobicContact CG2-CE2 3.62Å
146M41.8Very low44.5Very low139 Ų139135.5 Ų135.569%0.68578%0.776SS**  trans-99.9100.6-164-152.9-83.7-77.100109.5Q149M146-Q149 HydrophobicContact SD-CB 4.43Å
147Y43.5Very low44.3Very low193 Ų193136.8 Ų136.876%0.75777%0.772SS**  trans-143.338.8172.4-76-69.9000113.5I145I145-Y147 HydrophobicContact CG2-CD2 3.59Å; I145-Y147 HydrophobicContact CG2-CE2 3.62Å
148Q41.6Very low44.8Very low163 Ų163136.5 Ų136.576%0.76277%0.77SS**  trans-100.53.5171.1-74.5-77.273.800113.4
149Q38.6Very low45.5Very low124 Ų124134 Ų13458%0.57976%0.764SS**SBendtrans-90.5-10.8-169.8-158.664.96300114.9M146M146-Q149 HydrophobicContact SD-CB 4.43Å
150Y43.5Very low45.6Very low218 Ų218135.9 Ų135.986%0.85577%0.766SS**SBendtrans-100.42.7-175.5-84.4-90.9000115.3
151L52.4Low45.9Very low154 Ų154136.1 Ų136.181%0.80676%0.762SS**SBendtrans-121.613.5-173.1-74.2164.4000115.5
152V46.8Very low45.8Very low103 Ų103137.3 Ų137.362%0.62476%0.763SS**SBendtrans-125.69.8-176.979.50000115.7
153S46.8Very low46Very low109 Ų109141.4 Ų141.476%0.76276%0.762SS**SBendtrans-102.616.4-178.6-60.60000114.9
154S43Very low46.2Very low120 Ų120140.5 Ų140.584%0.83976%0.763SS**  trans-118.127.1-179.7-39.10000113.1
155A46.4Very low46.4Very low87 Ų87140.4 Ų140.472%0.71976%0.76SS**SBendtrans-101.7101.8173.900000109.9H157A155-H157 PolarHBondContact O-N 3.38Å
156S40.5Very low46.3Very low122 Ų122139 Ų13985%0.85376%0.76SS**  trans-4107162.7-59.10000116.8
157H47.9Very low46.4Very low163 Ų163140.2 Ų140.276%0.75576%0.764SS**  trans-130.1111.8154.2-164.472.4000109.6A155 P159A155-H157 PolarHBondContact O-N 3.38Å; H157-P159 VanDerWaalsContact O-CD 3.22Å; H157-P159 WeakPolarHBondContact O-CD 3.36Å
158V53.1Low46.4Very low134 Ų134138.5 Ų138.581%0.81277%0.768SS**  trans-91.3106.1170.3-87.20000108.5N160V158-N160 PolarHBondContact O-N 3.06Å
159P61.4Low46.9Very low109 Ų109138.3 Ų138.371%0.70877%0.767SS**  trans-89.3101.1159.331-27.2000108.7H157 N161H157-P159 VanDerWaalsContact O-CD 3.22Å; H157-P159 WeakPolarHBondContact O-CD 3.36Å; P159-N161 PolarHBondContact O-N 3.38Å
160N40.6Very low47.2Very low150 Ų150141.2 Ų141.280%0.80278%0.782SS**  trans-64.1108.2163.1-178.649.7000109.2V158V158-N160 PolarHBondContact O-N 3.06Å
161N45.6Very low47.5Very low137 Ų137134.8 Ų134.873%0.73377%0.774SS**  trans-158.285.4147.1-150.6-6.4000111.2P159 Q163P159-N161 PolarHBondContact O-N 3.38Å; N161-Q163 PolarHBondContact O-N 3.05Å
162L42.9Very low47.4Very low166 Ų166135.9 Ų135.987%0.86978%0.779SS**  trans-69.5106.8151.8-93.772000107
163Q46.1Very low47.6Very low158 Ų158134.6 Ų134.674%0.73879%0.787SS**  trans-145.998149.1-161.9151-73.900111.2N161N161-Q163 PolarHBondContact O-N 3.05Å
164V48.2Very low47.5Very low140 Ų140133.4 Ų133.485%0.84879%0.792SS**  trans-79.5123.6162.4-69.80000108
165T54Low47.9Very low116 Ų116133.9 Ų133.971%0.71280%0.795SS**  trans-144.2114.4165.5-190000110.1
166P48Very low48.1Very low114 Ų114133 Ų13374%0.7480%0.795SS**  trans-106.9120170.833.6-22000110.3
167Q43.4Very low48.7Very low164 Ų164136.1 Ų136.177%0.76680%0.796SS**  trans-169.685.4160.3-119.6171.418.700115.4H169Q167-H169 PolarHBondContact O-CE1 3.27Å
168N44.7Very low48.4Very low158 Ų158137.1 Ų137.185%0.84580%0.799SS**  30.786112.6-145.6-4.2000121.6
169H51.7Low48.1Very low158 Ų158138.2 Ų138.273%0.73180%0.795SS**  trans-157.2104.2151.16-85.1000115.4Q167Q167-H169 PolarHBondContact O-CE1 3.27Å
170M43.5Very low47.2Very low185 Ų185141 Ų14191%0.91180%0.799SS**  trans20.2135.7135.6-154.4-176.1-63.600122.8
171A50.1Low47.4Very low83 Ų83141.3 Ų141.369%0.68680%0.795SS**  trans136.1109.2134.500000112.7
172I51.3Low47.1Very low177 Ų177142.9 Ų142.991%0.90880%0.797SS**  61.8123.9100.7-82.6175.4000111.9
173G49.6Very low47.4Very low77 Ų77144.4 Ų144.479%0.79479%0.792SS**  cis166.7174.71000000107.5
174G45.4Very low47.7Very low83 Ų83142.2 Ų142.286%0.85679%0.789SS**  trans132.7112.8161.900000115.8
175S51.1Low47.9Very low130 Ų130140.3 Ų140.391%0.90978%0.778SS**  trans-99.2161.8-167.6-43.50000114.1
176G51.3Low47.6Very low70 Ų70142.2 Ų142.272%0.72278%0.778SS**  trans100.9146.2152.800000115.4
177Q53.6Low47.8Very low187 Ų187145 Ų14587%0.87478%0.781SS**  cis-156.4157.25.4-71.2-152.458.700109.7
178F41.8Very low48.2Very low184 Ų184143.4 Ų143.481%0.80779%0.788SS**  trans-52.9138167.5-58.3-100.2000112.3
179Q45.8Very low48Very low156 Ų156143.4 Ų143.473%0.72979%0.788SS**  -174.5123.9127.5-150.879.368.900109.9H181Q179-H181 WeakPolarHBondContact CG-CE1 3.09Å; Q179-H181 VanDerWaalsContact CG-ND1 3.34Å; Q179-H181 WeakPolarHBondContact CG-ND1 3.3Å
180Q42.6Very low47.9Very low169 Ų169139.5 Ų139.579%0.7979%0.791SS**  trans-102.4110.9179.317.5-176.5-15.100107.4
181H43.7Very low48Very low156 Ų156138.8 Ų138.872%0.72279%0.785SS**  trans-151.7108.4165.7-60.3108.7000110.7Q179Q179-H181 WeakPolarHBondContact CG-CE1 3.09Å; Q179-H181 VanDerWaalsContact CG-ND1 3.34Å; Q179-H181 WeakPolarHBondContact CG-ND1 3.3Å
182E41.3Very low48Very low169 Ų169142.5 Ų142.579%0.7979%0.792SS**  trans42.3136.7132.8-123.4-177.197.200122.3
183R49.2Very low47.6Very low198 Ų198138.7 Ų138.775%0.74779%0.787SS**  trans92.7104.4140.4-87-110.3-86.4-1028.3120.2
184V50.6Low47.4Very low112 Ų112140.1 Ų140.168%0.67978%0.784SS**  89.2106.9112.3153.50000118.9
185V53.2Low48Very low101 Ų101142.6 Ų142.661%0.61278%0.783SS**  101.5135.5115.3165.20000121.1
186Q48.6Very low47.6Very low155 Ų155142.5 Ų142.572%0.72477%0.772SS**  trans74.7104.4153.9-85.6144.327.800119.1
187H50.9Low47.9Very low173 Ų173144.6 Ų144.680%0.80178%0.776SS**  71.7114.683.2-75.2-137.2000112.4
188S52.2Low47.6Very low130 Ų130140.3 Ų140.391%0.90977%0.766SS**  -173.3140.8129.517.10000112
189D39.8Very low48.2Very low158 Ų158135.4 Ų135.485%0.84577%0.768SS**  trans-68.8150.6-174-142.9-85.5000113.2
190G50.2Low48.4Very low77 Ų77134.3 Ų134.379%0.79477%0.772SS**  trans-156.765-172.300000113.7
191Q46.4Very low49.2Very low169 Ų169133 Ų13379%0.7978%0.775SS**  trans-30135.4159.9-161.7175.294.600115.4
192I49.3Very low49.2Very low161 Ų161131 Ų13183%0.82678%0.779SS**  177.9139.3121.552.5173.5000112.7
193A43.5Very low50.3Low97 Ų97128.3 Ų128.380%0.80278%0.776SS**  trans-96.3150.8179.300000112.5
194S45.9Very low50.1Low107 Ų107125.5 Ų125.575%0.74878%0.776SS**  trans164.6143.4158.5270000107.8
195V57.6Low50.5Low135 Ų135124.7 Ų124.782%0.81878%0.781SS**  cis-166154.911.8-95.20000107.9
196D42.3Very low50.5Low128 Ų128125.1 Ų125.168%0.68478%0.784SS**  trans-57147.8171.9-17968.8000113.2S198D196-S198 PolarHBondContact OD2-N 3.41Å; D196-S198 PolarHBondContact OD2-OG 3.47Å; D196-S198 VanDerWaalsContact OD2-OG 3.05Å
197S57.2Low51.1Low114 Ų114122.7 Ų122.780%0.79779%0.79SS**  trans-141.283.4161.1-73.20000109G199S197-G199 PolarHBondContact O-N 3.46Å
198S47.2Very low51.5Low97 Ų97122.4 Ų122.468%0.67879%0.791SS**  trans-35.7122.2159.2-74.40000113D196D196-S198 PolarHBondContact OD2-N 3.41Å; D196-S198 PolarHBondContact OD2-OG 3.47Å; D196-S198 VanDerWaalsContact OD2-OG 3.05Å
199G55.7Low51.4Low81 Ų81122.5 Ų122.584%0.83579%0.785SS**  trans-117.681.617000000110.7S197S197-G199 PolarHBondContact O-N 3.46Å
200T49.8Very low52.3Low134 Ų134120.4 Ų120.482%0.82278%0.783SS**  trans-76.3128.7166.534.30000110.1
201V59.1Low52.6Low141 Ų141126.2 Ų126.286%0.85581%0.812SS**  trans-153122.3148.5118.50000110.1
202S42.8Very low52.9Low114 Ų114124.1 Ų124.180%0.79781%0.813SS**  trans-125.5131.1167.3178.70000106.6
203P64.6Low53.1Low113 Ų113122.2 Ų122.273%0.73481%0.812SS**  trans-116.4107.615827.7-13000110.4A205P203-A205 PolarHBondContact O-N 2.85Å
204N45.9Very low53.6Low139 Ų139123.6 Ų123.674%0.74381%0.813SS**  trans-58117.8154.4-1781.9000108.8
205A57.9Low54.1Low95 Ų95124.5 Ų124.579%0.78582%0.817SS**  trans-114.891.4167.100000108.9P203 A207P203-A205 PolarHBondContact O-N 2.85Å; A205-A207 PolarHBondContact O-N 3.19Å
206V52.9Low53.9Low110 Ų110123.9 Ų123.967%0.66782%0.817SS**  trans-46.9115.4158.4157.80000109.7M208V206-M208 HydrophobicContact CG1-CG 4.05Å
207A61.7Low54.6Low103 Ų103123.6 Ų123.685%0.85183%0.825SS**  trans-87.1113.9160.100000107.8A205A205-A207 PolarHBondContact O-N 3.19Å
208M60.6Low54.4Low168 Ų168124.3 Ų124.383%0.82883%0.827SS**  trans-68.3149.5-178.3-71.3-152.1-8500113.4V206V206-M208 HydrophobicContact CG1-CG 4.05Å
209V49.8Very low55Low131 Ų131126.4 Ų126.479%0.79484%0.839SS**  trans-47.4141.7161.3710000112.8
210S57.6Low54.9Low114 Ų114130.2 Ų130.280%0.79784%0.839SS**  trans-17994.1150.3-79.50000111.8
211S56.6Low55.4Low200 Ų200129.8 Ų129.8100%1.39984%0.841SS**  trans169.30134.5-73.40000110

Retrieved 211 of 211 residues in 291.3 ms (Link to these results)