A0A077Z5V4_TRITR Loading...

TUDOR domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5V4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 539 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
1M54.2Low63Low126 Ų126102.6 Ų102.662%0.62150%0.499SS*.  0-42.50-90.2-70.1-89.400111.9Q3 I4 T5 L28M1-Q3 PolarHBondContact O-N 3.37Å; M1-I4 PolarHBondContact O-N 3.03Å; M1-T5 PolarHBondContact O-N 3.44Å; M1-T5 PolarHBondContact O-OG1 3.33Å; M1-L28 HydrophobicContact CE-CD1 4.02Å; M1-L28 HydrophobicContact CE-CD2 4.26Å; M1-L28 HydrophobicContact SD-CD1 3.92Å
2D55.5Low62.7Low138 Ų138101.6 Ų101.674%0.73853%0.534SS*.Hα-helixtrans-63-41.1-177-54.7-29.4000113.7I4 T5 F6D2-I4 PolarHBondContact O-N 2.92Å; D2-T5 PolarHBondContact O-N 2.88Å; D2-F6 WeakPolarHBondContact O-CB 3.22Å; D2-F6 PolarHBondContact O-N 3.12Å
3Q54.4Low63.6Low156 Ų15699.2 Ų99.273%0.72952%0.523SS*.Hα-helixtrans-60.9-40.9175.1-72.3-178.8-4.800112.8M1 F6 Y7M1-Q3 PolarHBondContact O-N 3.37Å; Q3-F6 WeakPolarHBondContact O-CB 3.33Å; Q3-F6 PolarHBondContact O-N 3.46Å; Q3-Y7 WeakPolarHBondContact O-CD2 3.42Å; Q3-Y7 PolarHBondContact O-N 3.48Å; Q3-Y7 VanDerWaalsContact O-N 3.07Å
4I60.1Low64.6Low91 Ų91103.4 Ų103.447%0.46754%0.538SS..Hα-helixtrans-65.2-44177.5-63.1174000109.9M1 D2 F6 Y7 V8M1-I4 PolarHBondContact O-N 3.03Å; D2-I4 PolarHBondContact O-N 2.92Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 2.73Å; I4-Y7 PolarHBondContact O-N 2.83Å; I4-V8 HydrophobicContact CG2-CG2 4.33Å; I4-V8 VanDerWaalsContact O-CG2 3.32Å; I4-V8 WeakPolarHBondContact O-CG2 3.34Å; I4-V8 PolarHBondContact O-N 3.02Å
5T67.8Low65.4Low61 Ų61106.1 Ų106.137%0.37455%0.547SS..Hα-helixtrans-61.8-40.3178.1-52.40000111.3M1 D2 V8 N9M1-T5 PolarHBondContact O-N 3.44Å; M1-T5 PolarHBondContact O-OG1 3.33Å; D2-T5 PolarHBondContact O-N 2.88Å; T5-V8 PolarHBondContact O-N 3.48Å; T5-N9 PolarHBondContact O-N 3.03Å; T5-N9 VanDerWaalsContact O-N 3.14Å; T5-N9 PolarHBondContact O-ND2 3.24Å
6F68.6Low65.9Low125 Ų125104.5 Ų104.555%0.54854%0.54SS..Hα-helixtrans-60.3-48174.3-179.5-95.8000112.2D2 Q3 I4 N9 Q10D2-F6 WeakPolarHBondContact O-CB 3.22Å; D2-F6 PolarHBondContact O-N 3.12Å; Q3-F6 WeakPolarHBondContact O-CB 3.33Å; Q3-F6 PolarHBondContact O-N 3.46Å; I4-F6 VanDerWaalsContact C-N 3.3Å; I4-F6 PolarHBondContact O-N 2.73Å; F6-N9 PolarHBondContact O-N 2.93Å; F6-Q10 HydrophobicContact CE1-CG 4.19Å; F6-Q10 HydrophobicContact CZ-CG 4.47Å; F6-Q10 WeakPolarHBondContact O-CG 3.09Å; F6-Q10 PolarHBondContact O-N 2.83Å
7Y62.5Low66.3Low151 Ų151103.4 Ų103.459%0.59253%0.527SS*.Hα-helixtrans-67.1-38178.6-79-66.9000113.4Q3 I4 N9 Q10Q3-Y7 WeakPolarHBondContact O-CD2 3.42Å; Q3-Y7 PolarHBondContact O-N 3.48Å; Q3-Y7 VanDerWaalsContact O-N 3.07Å; I4-Y7 PolarHBondContact O-N 2.83Å; Y7-N9 PolarHBondContact O-N 3.21Å; Y7-Q10 PolarHBondContact O-N 2.9Å; Y7-Q10 VanDerWaalsContact O-N 3.13Å
8V66.5Low66.9Low11 Ų11101.8 Ų101.87%0.06752%0.523CS..Hα-helixtrans-61.9-34.4175.3171.50000111I4 T5 R17 L20I4-V8 HydrophobicContact CG2-CG2 4.33Å; I4-V8 VanDerWaalsContact O-CG2 3.32Å; I4-V8 WeakPolarHBondContact O-CG2 3.34Å; I4-V8 PolarHBondContact O-N 3.02Å; T5-V8 PolarHBondContact O-N 3.48Å; V8-R17 PolarHBondContact O-NE 3.42Å; V8-L20 HydrophobicContact CG2-CB 4.36Å
9N71.7Confident67.2Low92 Ų9299.8 Ų99.849%0.49252%0.519SS..Hα-helixtrans-74.7-22.7177-71.3-23000113.6T5 F6 Y7 L11 R17T5-N9 PolarHBondContact O-N 3.03Å; T5-N9 VanDerWaalsContact O-N 3.14Å; T5-N9 PolarHBondContact O-ND2 3.24Å; F6-N9 PolarHBondContact O-N 2.93Å; Y7-N9 PolarHBondContact O-N 3.21Å; N9-L11 VanDerWaalsContact C-N 3.33Å; N9-R17 PolarHBondContact O-NH2 3.17Å
10Q71.1Confident67.4Low132 Ų13298.3 Ų98.362%0.61751%0.511SS*.Hα-helixtrans-78.4-11.9176.8-71.9-78.2300114F6 Y7 G12F6-Q10 HydrophobicContact CE1-CG 4.19Å; F6-Q10 HydrophobicContact CZ-CG 4.47Å; F6-Q10 WeakPolarHBondContact O-CG 3.09Å; F6-Q10 PolarHBondContact O-N 2.83Å; Y7-Q10 PolarHBondContact O-N 2.9Å; Y7-Q10 VanDerWaalsContact O-N 3.13Å; Q10-G12 PolarHBondContact O-N 3.39Å
11L60.5Low67.7Low46 Ų46100.5 Ų100.524%0.24151%0.512CS..  trans-76.9117.6179.9-69164.8000111N9 N13 R17 L20N9-L11 VanDerWaalsContact C-N 3.33Å; L11-N13 VanDerWaalsContact C-N 3.3Å; L11-N13 PolarHBondContact O-N 2.83Å; L11-R17 HydrophobicContact CB-CG 4.19Å; L11-R17 PolarHBondContact O-NE 3.08Å; L11-R17 VanDerWaalsContact O-NE 3.08Å; L11-L20 HydrophobicContact CD1-CD1 3.03Å; L11-L20 HydrophobicContact CD1-CG 4.46Å; L11-L20 HydrophobicContact CG-CD1 4.48Å
12G59.6Low68.7Low90 Ų90100.8 Ų100.893%0.92851%0.514SS*.  trans-74.7-9.1-176.700000115.8Q10Q10-G12 PolarHBondContact O-N 3.39Å
13N73.8Confident69.6Low71 Ų71100 Ų10038%0.3850%0.504SS..  trans-108.3126.1177.5-174.5-7.4000110.6L11 E15 N16 R17L11-N13 VanDerWaalsContact C-N 3.3Å; L11-N13 PolarHBondContact O-N 2.83Å; N13-E15 PolarHBondContact O-N 2.94Å; N13-E15 WeakPolarHBondContact OD1-CB 3.29Å; N13-E15 PolarHBondContact OD1-N 3.34Å; N13-N16 HydrophobicContact CB-CB 4.22Å; N13-N16 WeakPolarHBondContact O-CB 2.98Å; N13-N16 PolarHBondContact O-N 2.93Å; N13-N16 VanDerWaalsContact O-N 3.17Å; N13-R17 PolarHBondContact O-N 2.9Å; N13-R17 VanDerWaalsContact O-N 3.08Å
14E77.8Confident70.5Confident157 Ų15794.5 Ų94.573%0.73448%0.478SS*.Hα-helixtrans-61.7-30177.8-161.6159.4-156.500112.6R17 T18E14-R17 PolarHBondContact O-N 3.12Å; E14-T18 PolarHBondContact O-N 2.84Å; E14-T18 PolarHBondContact O-OG1 3.39Å
15E76.7Confident71.1Confident144 Ų14499.7 Ų99.767%0.67349%0.492SS*.Hα-helixtrans-68-42174.7-154.2171.3-158.900111.4N13 T18 C19N13-E15 PolarHBondContact O-N 2.94Å; N13-E15 WeakPolarHBondContact OD1-CB 3.29Å; N13-E15 PolarHBondContact OD1-N 3.34Å; E15-T18 PolarHBondContact O-N 3.08Å; E15-C19 PolarHBondContact O-N 2.76Å
16N73.5Confident71.4Confident81 Ų81102.6 Ų102.643%0.43350%0.504SS..Hα-helixtrans-65.8-39.8174.5-73.4-14.9000111.7N13 T18 C19 L20N13-N16 HydrophobicContact CB-CB 4.22Å; N13-N16 WeakPolarHBondContact O-CB 2.98Å; N13-N16 PolarHBondContact O-N 2.93Å; N13-N16 VanDerWaalsContact O-N 3.17Å; N16-T18 VanDerWaalsContact C-N 3.33Å; N16-T18 PolarHBondContact O-N 3.49Å; N16-C19 PolarHBondContact O-N 3.33Å; N16-L20 WeakPolarHBondContact O-CB 2.85Å; N16-L20 PolarHBondContact O-N 3.01Å
17R72.2Confident71.4Confident85 Ų85102.1 Ų102.132%0.32151%0.507SS..Hα-helixtrans-61-41.8174.4-75.1178.4165.7175.1-1.7111.7V8 N9 L11 N13 E14 R21V8-R17 PolarHBondContact O-NE 3.42Å; N9-R17 PolarHBondContact O-NH2 3.17Å; L11-R17 HydrophobicContact CB-CG 4.19Å; L11-R17 PolarHBondContact O-NE 3.08Å; L11-R17 VanDerWaalsContact O-NE 3.08Å; N13-R17 PolarHBondContact O-N 2.9Å; N13-R17 VanDerWaalsContact O-N 3.08Å; E14-R17 PolarHBondContact O-N 3.12Å; R17-R21 WeakPolarHBondContact O-CB 3.43Å; R17-R21 VanDerWaalsContact O-CG 3.3Å; R17-R21 WeakPolarHBondContact O-CG 3.32Å; R17-R21 PolarHBondContact O-N 3.01Å
18T77.8Confident71.8Confident76 Ų7698.2 Ų98.247%0.46650%0.496SS..Hα-helixtrans-68.6-45.1-179.9-54.70000111.6E14 E15 N16 L20 R21 M22E14-T18 PolarHBondContact O-N 2.84Å; E14-T18 PolarHBondContact O-OG1 3.39Å; E15-T18 PolarHBondContact O-N 3.08Å; N16-T18 VanDerWaalsContact C-N 3.33Å; N16-T18 PolarHBondContact O-N 3.49Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.16Å; T18-R21 PolarHBondContact O-N 3.3Å; T18-M22 PolarHBondContact O-N 3.49Å
19C73.4Confident72Confident64 Ų64104.7 Ų104.743%0.43253%0.525SS..Hα-helixtrans-59.6-42.4176-1770000112E15 N16 M22 K23E15-C19 PolarHBondContact O-N 2.76Å; N16-C19 PolarHBondContact O-N 3.33Å; C19-M22 PolarHBondContact O-N 2.87Å; C19-K23 PolarHBondContact O-N 3.03Å
20L70.6Confident71.9Confident69 Ų69103.9 Ų103.936%0.36153%0.525SS..Hα-helixtrans-72.1-35.8177.5-86.2157.6000113.5V8 L11 N16 T18 M22 K23 Q24V8-L20 HydrophobicContact CG2-CB 4.36Å; L11-L20 HydrophobicContact CD1-CD1 3.03Å; L11-L20 HydrophobicContact CD1-CG 4.46Å; L11-L20 HydrophobicContact CG-CD1 4.48Å; N16-L20 WeakPolarHBondContact O-CB 2.85Å; N16-L20 PolarHBondContact O-N 3.01Å; T18-L20 VanDerWaalsContact C-N 3.33Å; T18-L20 PolarHBondContact O-N 3.16Å; L20-M22 VanDerWaalsContact C-N 3.28Å; L20-M22 PolarHBondContact O-N 3Å; L20-K23 PolarHBondContact O-N 3.02Å; L20-Q24 VanDerWaalsContact O-CB 3.27Å; L20-Q24 WeakPolarHBondContact O-CB 3.37Å; L20-Q24 PolarHBondContact O-N 3.39Å
21R73.1Confident71.7Confident144 Ų144102.5 Ų102.554%0.54352%0.521SS..Hα-helixtrans-61.2-38171.7-76.9178.3-172.3173.63.6111.8R17 T18 Q24 R25R17-R21 WeakPolarHBondContact O-CB 3.43Å; R17-R21 VanDerWaalsContact O-CG 3.3Å; R17-R21 WeakPolarHBondContact O-CG 3.32Å; R17-R21 PolarHBondContact O-N 3.01Å; T18-R21 PolarHBondContact O-N 3.3Å; R21-Q24 PolarHBondContact O-N 2.82Å; R21-R25 PolarHBondContact O-N 2.91Å
22M76.6Confident72.1Confident132 Ų132104.3 Ų104.365%0.6553%0.534SS*.Hα-helixtrans-63.7-48.3172.7-83-174.1161.600111.7T18 C19 L20 Q24 R25 L26T18-M22 PolarHBondContact O-N 3.49Å; C19-M22 PolarHBondContact O-N 2.87Å; L20-M22 VanDerWaalsContact C-N 3.28Å; L20-M22 PolarHBondContact O-N 3Å; M22-Q24 VanDerWaalsContact C-N 3.31Å; M22-Q24 PolarHBondContact O-N 3.31Å; M22-R25 PolarHBondContact O-N 2.79Å; M22-L26 WeakPolarHBondContact O-CG 3.48Å; M22-L26 PolarHBondContact O-N 3.3Å
23K73.9Confident72.7Confident121 Ų121103 Ų10353%0.52651%0.511SS..Hα-helixtrans-62.3-37175.9-71.4-178.7179.4-179.20112.7C19 L20 L26 L27C19-K23 PolarHBondContact O-N 3.03Å; L20-K23 PolarHBondContact O-N 3.02Å; K23-L26 PolarHBondContact O-N 2.94Å; K23-L27 WeakPolarHBondContact O-CG 3.48Å; K23-L27 PolarHBondContact O-N 2.75Å
24Q73.3Confident72.2Confident41 Ų41105 Ų10519%0.19252%0.521CS..Hα-helixtrans-64.6-42.2176.1-172.7179.310.200111.2L20 R21 M22 L27 L28L20-Q24 VanDerWaalsContact O-CB 3.27Å; L20-Q24 WeakPolarHBondContact O-CB 3.37Å; L20-Q24 PolarHBondContact O-N 3.39Å; R21-Q24 PolarHBondContact O-N 2.82Å; M22-Q24 VanDerWaalsContact C-N 3.31Å; M22-Q24 PolarHBondContact O-N 3.31Å; Q24-L27 PolarHBondContact O-N 2.77Å; Q24-L28 HydrophobicContact CG-CD1 4.1Å; Q24-L28 WeakPolarHBondContact O-CB 3.49Å; Q24-L28 PolarHBondContact O-N 2.94Å
25R73Confident71.6Confident201 Ų201100.6 Ų100.676%0.75851%0.505SS*.Hα-helixtrans-60.9-44.6171.7-92.7-173.4-178.9175.90.4112.1R21 M22 L27 L28 E29R21-R25 PolarHBondContact O-N 2.91Å; M22-R25 PolarHBondContact O-N 2.79Å; R25-L27 PolarHBondContact O-N 3.11Å; R25-L28 PolarHBondContact O-N 2.89Å; R25-E29 PolarHBondContact O-N 3.02Å; R25-E29 VanDerWaalsContact O-N 3.13Å
26L73.1Confident71.3Confident121 Ų121102.4 Ų102.463%0.63451%0.506SS*.Hα-helixtrans-63.5-26.9178.2-71.2169.5000113.1M22 K23 P30M22-L26 WeakPolarHBondContact O-CG 3.48Å; M22-L26 PolarHBondContact O-N 3.3Å; K23-L26 PolarHBondContact O-N 2.94Å; L26-P30 WeakPolarHBondContact O-CD 3.41Å; L26-P30 WeakPolarHBondContact O-CG 3.41Å
27L68.7Low71.2Confident116 Ų116102.6 Ų102.661%0.60751%0.507SS*.Hα-helixtrans-86.8-33.4174.1-71168.5000113K23 Q24 R25 P30 I31K23-L27 WeakPolarHBondContact O-CG 3.48Å; K23-L27 PolarHBondContact O-N 2.75Å; Q24-L27 PolarHBondContact O-N 2.77Å; R25-L27 PolarHBondContact O-N 3.11Å; L27-P30 WeakPolarHBondContact O-CD 3.14Å; L27-I31 WeakPolarHBondContact O-CD1 3.35Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 2.69Å
28L71.2Confident70.6Confident68 Ų68102.5 Ų102.536%0.35651%0.512SS..Hα-helixtrans-70.5-37.5-179.5-116.782.2000112.4M1 Q24 R25 I31 T32M1-L28 HydrophobicContact CE-CD1 4.02Å; M1-L28 HydrophobicContact CE-CD2 4.26Å; M1-L28 HydrophobicContact SD-CD1 3.92Å; Q24-L28 HydrophobicContact CG-CD1 4.1Å; Q24-L28 WeakPolarHBondContact O-CB 3.49Å; Q24-L28 PolarHBondContact O-N 2.94Å; R25-L28 PolarHBondContact O-N 2.89Å; L28-I31 PolarHBondContact O-N 2.94Å; L28-T32 WeakPolarHBondContact O-CB 3.31Å; L28-T32 PolarHBondContact O-N 2.88Å; L28-T32 PolarHBondContact O-OG1 3.47Å
29E71.1Confident70.2Confident147 Ų147104.1 Ų104.169%0.68751%0.514SS*.Hα-helixtrans-59-50.1-179.6-87.9-170.1171.700112.7R25 I31 T32 S33R25-E29 PolarHBondContact O-N 3.02Å; R25-E29 VanDerWaalsContact O-N 3.13Å; E29-I31 PolarHBondContact O-N 2.92Å; E29-T32 PolarHBondContact O-N 3.49Å; E29-S33 WeakPolarHBondContact O-CB 3.4Å; E29-S33 PolarHBondContact O-N 2.96Å
30P68.8Low70.2Confident76 Ų76106.1 Ų106.149%0.49453%0.525SS..Hα-helixtrans-60.1-42175.1-25.233.2000113.1L26 L27 S33 L34L26-P30 WeakPolarHBondContact O-CD 3.41Å; L26-P30 WeakPolarHBondContact O-CG 3.41Å; L27-P30 WeakPolarHBondContact O-CD 3.14Å; P30-S33 PolarHBondContact O-N 3.3Å; P30-L34 WeakPolarHBondContact O-CB 3.49Å; P30-L34 PolarHBondContact O-N 3.44Å
31I67Low69.8Low102 Ų102109.7 Ų109.752%0.52354%0.543SS..Hα-helixtrans-65.1-46.4-179.9-66.2169.9000110.4L27 L28 E29 S33 L34 T35L27-I31 WeakPolarHBondContact O-CD1 3.35Å; L27-I31 WeakPolarHBondContact O-CG1 3.45Å; L27-I31 PolarHBondContact O-N 2.69Å; L28-I31 PolarHBondContact O-N 2.94Å; E29-I31 PolarHBondContact O-N 2.92Å; I31-S33 VanDerWaalsContact C-N 3.29Å; I31-S33 PolarHBondContact O-N 3.14Å; I31-L34 CarbonylContact O-C 3.56Å; I31-L34 WeakPolarHBondContact O-CB 3.47Å; I31-L34 PolarHBondContact O-N 3.47Å; I31-L34 VanDerWaalsContact O-N 3.08Å; I31-T35 PolarHBondContact O-N 2.86Å; I31-T35 PolarHBondContact O-OG1 3Å
32T69.2Low69.1Low84 Ų84107.2 Ų107.252%0.51554%0.54SS..Hα-helixtrans-64.7-37.8179.4-41.20000110.8L28 E29 R36L28-T32 WeakPolarHBondContact O-CB 3.31Å; L28-T32 PolarHBondContact O-N 2.88Å; L28-T32 PolarHBondContact O-OG1 3.47Å; E29-T32 PolarHBondContact O-N 3.49Å; T32-R36 WeakPolarHBondContact O-CB 3.49Å; T32-R36 PolarHBondContact O-N 3.29Å
33S70.9Confident67.7Low64 Ų64102.5 Ų102.545%0.44853%0.526SS..Hα-helixtrans-64.7-39.8171.6-172.80000112E29 P30 I31 R36 N37E29-S33 WeakPolarHBondContact O-CB 3.4Å; E29-S33 PolarHBondContact O-N 2.96Å; P30-S33 PolarHBondContact O-N 3.3Å; I31-S33 VanDerWaalsContact C-N 3.29Å; I31-S33 PolarHBondContact O-N 3.14Å; S33-R36 PolarHBondContact O-N 3.24Å; S33-N37 WeakPolarHBondContact O-CB 3.1Å; S33-N37 PolarHBondContact O-N 3.07Å; S33-N37 PolarHBondContact O-ND2 3.33Å; S33-N37 PolarHBondContact O-OD1 3.24Å
34L63.5Low66.7Low112 Ų112105.8 Ų105.859%0.58654%0.54SS*.Hα-helixtrans-67-43.2178.1-149.892.6000111P30 I31 N37 L38P30-L34 WeakPolarHBondContact O-CB 3.49Å; P30-L34 PolarHBondContact O-N 3.44Å; I31-L34 CarbonylContact O-C 3.56Å; I31-L34 WeakPolarHBondContact O-CB 3.47Å; I31-L34 PolarHBondContact O-N 3.47Å; I31-L34 VanDerWaalsContact O-N 3.08Å; L34-N37 PolarHBondContact O-N 3.05Å; L34-L38 HydrophobicContact CD2-CD1 4.38Å; L34-L38 WeakPolarHBondContact O-CB 3.47Å; L34-L38 WeakPolarHBondContact O-CG 3.47Å; L34-L38 PolarHBondContact O-N 3.48Å
35T66.5Low65.7Low65 Ų65112.1 Ų112.140%0.39957%0.57SS.*Hα-helixtrans-61.4-45.4174.9-540000110.8I31 N37 L38 E39I31-T35 PolarHBondContact O-N 2.86Å; I31-T35 PolarHBondContact O-OG1 3Å; T35-N37 VanDerWaalsContact C-N 3.34Å; T35-N37 PolarHBondContact O-N 3.16Å; T35-L38 PolarHBondContact O-N 3.13Å; T35-E39 WeakPolarHBondContact O-CB 3.14Å; T35-E39 WeakPolarHBondContact O-CG 3.3Å; T35-E39 PolarHBondContact O-N 2.9Å
36R69.8Low64.6Low182 Ų182107.8 Ų107.869%0.68756%0.56SS**Hα-helixtrans-63.9-38.3176.1-172.8176.6173.1148.8-0.8112.3T32 S33 E39 T40T32-R36 WeakPolarHBondContact O-CB 3.49Å; T32-R36 PolarHBondContact O-N 3.29Å; S33-R36 PolarHBondContact O-N 3.24Å; R36-E39 PolarHBondContact O-N 2.94Å; R36-T40 WeakPolarHBondContact O-CB 3.27Å; R36-T40 PolarHBondContact O-N 3.26Å; R36-T40 PolarHBondContact O-OG1 2.87Å
37N72.2Confident63.5Low85 Ų85105.7 Ų105.746%0.45555%0.549SS..Hα-helixtrans-67.1-39.3174.7-71.9-14.5000111.5S33 L34 T35 T40 L41S33-N37 WeakPolarHBondContact O-CB 3.1Å; S33-N37 PolarHBondContact O-N 3.07Å; S33-N37 PolarHBondContact O-ND2 3.33Å; S33-N37 PolarHBondContact O-OD1 3.24Å; L34-N37 PolarHBondContact O-N 3.05Å; T35-N37 VanDerWaalsContact C-N 3.34Å; T35-N37 PolarHBondContact O-N 3.16Å; N37-T40 PolarHBondContact O-N 2.8Å; N37-L41 WeakPolarHBondContact O-CB 3.35Å; N37-L41 WeakPolarHBondContact O-CG 3.2Å; N37-L41 PolarHBondContact O-N 2.94Å
38L59.6Low62.4Low82 Ų82107 Ų10743%0.42955%0.552SS.*Hα-helixtrans-65.6-42.8174.2-77.7166.3000111.8L34 T35 T40 L41 L42L34-L38 HydrophobicContact CD2-CD1 4.38Å; L34-L38 WeakPolarHBondContact O-CB 3.47Å; L34-L38 WeakPolarHBondContact O-CG 3.47Å; L34-L38 PolarHBondContact O-N 3.48Å; T35-L38 PolarHBondContact O-N 3.13Å; L38-T40 PolarHBondContact O-N 2.92Å; L38-L41 PolarHBondContact O-N 3.29Å; L38-L42 HydrophobicContact CB-CD1 4.46Å; L38-L42 HydrophobicContact CD2-CD1 4.43Å; L38-L42 VanDerWaalsContact O-CB 3.25Å; L38-L42 WeakPolarHBondContact O-CB 3.43Å; L38-L42 WeakPolarHBondContact O-CG 3.33Å; L38-L42 PolarHBondContact O-N 2.68Å
39E68.6Low61.3Low110 Ų110107.6 Ų107.651%0.51456%0.562SS.*Hα-helixtrans-62.2-32.9173.6-73.3172.7173.600112.1T35 R36T35-E39 WeakPolarHBondContact O-CB 3.14Å; T35-E39 WeakPolarHBondContact O-CG 3.3Å; T35-E39 PolarHBondContact O-N 2.9Å; R36-E39 PolarHBondContact O-N 2.94Å
40T72.9Confident60Low107 Ų107104.7 Ų104.766%0.65656%0.557SS**Hα-helixtrans-76.4-38.7176.2-50.50000111.6R36 N37 L38R36-T40 WeakPolarHBondContact O-CB 3.27Å; R36-T40 PolarHBondContact O-N 3.26Å; R36-T40 PolarHBondContact O-OG1 2.87Å; N37-T40 PolarHBondContact O-N 2.8Å; L38-T40 PolarHBondContact O-N 2.92Å
41L62.5Low58.8Low144 Ų144104.8 Ų104.875%0.75455%0.553SS**Hα-helixtrans-75.3-34.8-179.8-81.5164000113.2N37 L38 G43N37-L41 WeakPolarHBondContact O-CB 3.35Å; N37-L41 WeakPolarHBondContact O-CG 3.2Å; N37-L41 PolarHBondContact O-N 2.94Å; L38-L41 PolarHBondContact O-N 3.29Å; L41-G43 VanDerWaalsContact C-N 3.34Å
42L57.8Low57.7Low91 Ų91107.1 Ų107.148%0.47656%0.562SS.*SBendtrans-86.1-5.4-174.4-70.1169000113.8L38 I46L38-L42 HydrophobicContact CB-CD1 4.46Å; L38-L42 HydrophobicContact CD2-CD1 4.43Å; L38-L42 VanDerWaalsContact O-CB 3.25Å; L38-L42 WeakPolarHBondContact O-CB 3.43Å; L38-L42 WeakPolarHBondContact O-CG 3.33Å; L38-L42 PolarHBondContact O-N 2.68Å; L42-I46 WeakPolarHBondContact O-CD1 3.32Å
43G48.6Very low56.4Low34 Ų34112 Ų11235%0.35158%0.576SS.*Hα-helixtrans66.3138.8-18000000112.4L41 E45 I46L41-G43 VanDerWaalsContact C-N 3.34Å; G43-E45 PolarHBondContact O-N 3.39Å; G43-I46 PolarHBondContact O-N 3.42Å
44K53.3Low55Low190 Ų190119 Ų11983%0.82659%0.593SS**Hα-helixtrans-59.9-18-179.8-79.4-177.5172.1-177.60114.1
45E50.7Low53.8Low174 Ų174123.9 Ų123.981%0.81360%0.604SS**Hα-helixtrans-81.5-21.2-176.3-74.3-179.7151.700114.6G43G43-E45 PolarHBondContact O-N 3.39Å
46I50.9Low52.5Low109 Ų109124.9 Ų124.956%0.55962%0.619SS**Hα-helixtrans-83.8-23.7-179.2-58.6-178.1000111.6L42 G43L42-I46 WeakPolarHBondContact O-CD1 3.32Å; G43-I46 PolarHBondContact O-N 3.42Å
47I49.4Very low51Low78 Ų78125.5 Ų125.540%0.463%0.629SS.*Hα-helixtrans-81-23.4-178.5-61.7176.1000112C50 N51I47-C50 PolarHBondContact O-N 3.16Å; I47-N51 PolarHBondContact O-N 2.94Å; I47-N51 PolarHBondContact O-ND2 2.84Å
48E46.8Very low49Very low143 Ų143126.1 Ų126.167%0.66864%0.641SS**Hα-helixtrans-72.9-31174.2-71.1-174.6166.400112.3C50 N51E48-C50 VanDerWaalsContact C-N 3.34Å; E48-C50 PolarHBondContact O-N 3.01Å; E48-N51 PolarHBondContact O-N 3.03Å
49S46.2Very low48Very low80 Ų80128.2 Ų128.256%0.55966%0.657SS**Hα-helixtrans-67.1-30.3172.3168.30000113.2
50C45.2Very low46.4Very low86 Ų86131.1 Ų131.158%0.58167%0.67SS**Hα-helixtrans-80.5-13.5174.9-72.80000113.9I47 E48I47-C50 PolarHBondContact O-N 3.16Å; E48-C50 VanDerWaalsContact C-N 3.34Å; E48-C50 PolarHBondContact O-N 3.01Å
51N42.6Very low44.4Very low79 Ų79133.6 Ų133.642%0.42268%0.678SS.*Hα-helixtrans-87.7-15.9178.7-78.5-36.5000113.6I47 E48 R54I47-N51 PolarHBondContact O-N 2.94Å; I47-N51 PolarHBondContact O-ND2 2.84Å; E48-N51 PolarHBondContact O-N 3.03Å; N51-R54 PolarHBondContact O-N 3.18Å
52E43.7Very low43Very low150 Ų150136.1 Ų136.170%0.70169%0.686SS**Hα-helixtrans-76.1-24.6172.4-72.5-168.7149.300113R54 R55E52-R54 PolarHBondContact O-N 3.49Å; E52-R55 PolarHBondContact O-N 3.23Å
53F41.9Very low41.7Very low187 Ų187136.4 Ų136.482%0.8270%0.695SS**THydrogen-bonded Turntrans-71.5-12.1170.5-104.2-87.7000113.8
54R41.9Very low40.9Very low212 Ų212142.4 Ų142.480%0.872%0.718SS**THydrogen-bonded Turntrans-93.61.4177.8-88.3-176.9172.2176.9-1.3114.8N51 E52N51-R54 PolarHBondContact O-N 3.18Å; E52-R54 PolarHBondContact O-N 3.49Å
55R38.3Very low39.8Very low213 Ų213137.5 Ų137.580%0.80471%0.706SS**SBendtrans-110.74.4179.4-76.9-174-173.31452.8115E52E52-R55 PolarHBondContact O-N 3.23Å
56A39.2Very low38.8Very low87 Ų87133.9 Ų133.972%0.71970%0.7SS**SBendtrans-103.8-0.2-176.900000115.4
57E37.8Very low37.9Very low194 Ų194138 Ų13891%0.90772%0.716SS**  trans-122.679.7174.2-77.2-174.7158.600110.5
58S32Very low37.1Very low99 Ų99143.9 Ų143.969%0.69273%0.734SS**  trans-147.273.5170.159.30000110.5
59V37.6Very low36.5Very low126 Ų126143.2 Ų143.276%0.76474%0.739SS**  trans-150.2121.6158.2-177.30000109.4
60E34.7Very low35.9Very low170 Ų170147.5 Ų147.579%0.79476%0.755SS**  trans6191.1159.1-70.2173.8154.800119.1
61I31.8Very low35.3Very low160 Ų160146.8 Ų146.882%0.82176%0.755SS**  55.895.882-51.8173.1000114.1
62Q32.3Very low34.7Very low197 Ų197149.8 Ų149.892%0.92177%0.771SS**  -140.8132.9127.3-72.6-164.5-6.500109.8
63S30.7Very low34.4Very low96 Ų96150.4 Ų150.467%0.67178%0.778SS**  trans-74.2156.9-17450.30000115
64L32.2Very low33.9Very low161 Ų161147.5 Ų147.584%0.84378%0.775SS**  trans114.2147.9151.7-65.7148.8000116.2
65P29.5Very low33.7Very low86 Ų86141.6 Ų141.656%0.55877%0.766SS**  cis-129.9152.8-40.832.1-15000113.4
66S30.3Very low33.6Very low98 Ų98140.6 Ų140.669%0.68577%0.771SS**SBendtrans-45.3138.4159.1530000113R68S66-R68 PolarHBondContact O-N 2.89Å
67E32.5Very low33.6Very low195 Ų195144.6 Ų144.691%0.91178%0.775SS**SBendtrans53.142.6140.3-131.4172.7-161.300116.6
68R32.5Very low33.5Very low202 Ų202143.4 Ų143.476%0.76277%0.774SS**  trans-143.41.8171.9-77.7-162.7177.3172.3-1.4118.6S66 L70S66-R68 PolarHBondContact O-N 2.89Å; R68-L70 VanDerWaalsContact C-N 3.26Å; R68-L70 PolarHBondContact O-N 2.94Å; R68-L70 VanDerWaalsContact O-N 3.16Å
69V33.2Very low34Very low130 Ų130147.9 Ų147.979%0.78879%0.785SS**THydrogen-bonded Turntrans-86.420.1-175.2-166.20000114.3
70L34.9Very low34.1Very low169 Ų169151.5 Ų151.589%0.88579%0.79SS**THydrogen-bonded Turntrans-114.913.7173.2-85.8166.5000113.9R68R68-L70 VanDerWaalsContact C-N 3.26Å; R68-L70 PolarHBondContact O-N 2.94Å; R68-L70 VanDerWaalsContact O-N 3.16Å
71A31.1Very low34.2Very low72 Ų72147.5 Ų147.560%0.59579%0.786SS**SBendtrans-123.6-7.8-17700000116.7
72D31.2Very low34.6Very low141 Ų141145.2 Ų145.275%0.75478%0.781SS**  trans-123.531.2-169.8-69.7-30.3000115.7
73I36.9Very low35Very low163 Ų163140.8 Ų140.884%0.83677%0.768SS**  trans-108.260.7159.7-49.6177.1000107.8
74V31.6Very low35.7Very low126 Ų126143.3 Ų143.376%0.76477%0.774SS**  trans-116.981.1158.4-1780000105.3
75S37.9Very low36.2Very low89 Ų89143.7 Ų143.762%0.62277%0.771SS**  trans-123.699.3155.945.60000104.8E77S75-E77 PolarHBondContact O-N 3.21Å
76E35Very low37.1Very low192 Ų192145.1 Ų145.190%0.89777%0.774SS**  trans-54.892.3163.7-67.4176.3154.300107.3
77E40.3Very low38Very low171 Ų171147.2 Ų147.280%0.79977%0.773SS**  trans-93.8118.3160.6-74.8-170.9163.100106.8S75 E79S75-E77 PolarHBondContact O-N 3.21Å; E77-E79 PolarHBondContact O-N 3.36Å
78D35.8Very low39.4Very low168 Ų168145.7 Ų145.790%0.89876%0.759SS**  trans-35.9103.9-178.1-74.2-54.1000113.6K80D78-K80 PolarHBondContact O-N 3.16Å
79E43Very low41.6Very low194 Ų194143.9 Ų143.991%0.90776%0.76SS**  trans-6697167.7-85.1-169.9151.600109.1E77 A81E77-E79 PolarHBondContact O-N 3.36Å; E79-A81 PolarHBondContact O-N 3.38Å
80K39.6Very low44Very low202 Ų202139.1 Ų139.188%0.87873%0.73SS**PPolyproline II helixtrans-52.8121.9155.4-113.3178178.41780107.9D78D78-K80 PolarHBondContact O-N 3.16Å
81A36.4Very low46.5Very low85 Ų85133.7 Ų133.770%0.70271%0.706SS**PPolyproline II helixtrans-47.4132.5176.400000110.5E79 T83E79-A81 PolarHBondContact O-N 3.38Å; A81-T83 PolarHBondContact O-N 3.29Å; A81-T83 VanDerWaalsContact O-N 3.11Å
82P39.2Very low49.1Very low113 Ų113135.2 Ų135.273%0.73471%0.712SS**PPolyproline II helixtrans-63.4118178.225.6-30.8000108.1
83T40.6Very low51.8Low104 Ų104134.9 Ų134.964%0.63871%0.705SS**PPolyproline II helixtrans-59.613716436.60000108A81 E85A81-T83 PolarHBondContact O-N 3.29Å; A81-T83 VanDerWaalsContact O-N 3.11Å; T83-E85 PolarHBondContact O-N 3.42Å
84D45.5Very low54.2Low148 Ų148127.1 Ų127.179%0.79167%0.666SS**G310 helixtrans-60.914.4-176.6-87.7-41.1000115.1
85E42.5Very low56.9Low170 Ų170123.6 Ų123.679%0.79464%0.642SS**G310 helixtrans-92.1-3.2-166.7-69.3-173.415300115.4T83T83-E85 PolarHBondContact O-N 3.42Å
86D48.6Very low59.1Low116 Ų116122.4 Ų122.462%0.6263%0.629SS**G310 helixtrans-105.620.2-176.5-91.5-29.3000115.4W88D86-W88 PolarHBondContact O-N 3.38Å
87Q49.5Very low61.6Low141 Ų141113.8 Ų113.866%0.65959%0.589SS**  trans-78.376.5168-67.6-168.628.500110.4E89Q87-E89 PolarHBondContact O-N 3Å; Q87-E89 VanDerWaalsContact O-N 3.08Å
88W61.8Low63.9Low164 Ų164105.7 Ų105.762%0.62155%0.552SS**  trans-70.7100.9164.5-168.3-81.3000108.4D86 V90 R207 L210D86-W88 PolarHBondContact O-N 3.38Å; W88-V90 PolarHBondContact O-N 3.04Å; W88-R207 VanDerWaalsContact CB-NH2 3.27Å; W88-L210 HydrophobicContact CZ2-CD2 3.87Å
89E78.1Confident66.2Low164 Ų16499.8 Ų99.877%0.76652%0.519SS*.PPolyproline II helixtrans-65.9125.9169.7-70.1-170.3165.800109.2Q87 P91Q87-E89 PolarHBondContact O-N 3Å; Q87-E89 VanDerWaalsContact O-N 3.08Å; E89-P91 WeakPolarHBondContact O-CD 3.49Å
90V83.8Confident67.9Low29 Ų2993.1 Ų93.118%0.17649%0.485CS..PPolyproline II helixtrans-70.4124.5174.6-176.60000107.7W88 S92 A94 L95 L210 Y213W88-V90 PolarHBondContact O-N 3.04Å; V90-S92 PolarHBondContact O-N 3.47Å; V90-A94 HydrophobicContact CG1-CB 3.99Å; V90-L95 HydrophobicContact CB-CD1 4.4Å; V90-L95 HydrophobicContact CB-CD2 4.26Å; V90-L95 HydrophobicContact CB-CG 4.12Å; V90-L95 HydrophobicContact CG1-CD2 3.95Å; V90-L95 HydrophobicContact CG1-CG 3.75Å; V90-L210 HydrophobicContact CG1-CD1 4.36Å; V90-Y213 HydrophobicContact CB-CE1 4.44Å; V90-Y213 HydrophobicContact CG1-CD1 3.61Å; V90-Y213 HydrophobicContact CG1-CD2 4.31Å; V90-Y213 HydrophobicContact CG1-CE1 3.71Å; V90-Y213 HydrophobicContact CG1-CE2 4.38Å; V90-Y213 HydrophobicContact CG1-CG 3.93Å; V90-Y213 HydrophobicContact CG2-CE1 4.07Å; V90-Y213 HydrophobicContact CG2-CE2 4.06Å
91P87.8Confident69.6Low56 Ų5683.7 Ų83.736%0.36445%0.445SS..PPolyproline II helixtrans-55.1138.9176.4-24.233.6000111.4E89 E93 A94 L95 L210E89-P91 WeakPolarHBondContact O-CD 3.49Å; P91-E93 PolarHBondContact O-N 3.3Å; P91-E93 VanDerWaalsContact O-N 3.14Å; P91-A94 HydrophobicContact CB-CB 4.39Å; P91-A94 WeakPolarHBondContact O-CB 3.13Å; P91-A94 PolarHBondContact O-N 2.76Å; P91-L95 PolarHBondContact O-N 3.03Å; P91-L95 VanDerWaalsContact O-N 3.14Å; P91-L210 HydrophobicContact CG-CD1 4.27Å
92S86.4Confident71Confident103 Ų10381.4 Ų81.472%0.7242%0.421SS*.Hα-helixtrans-55.6-34.3-178.9-540000113.2V90 A94 L95 D96V90-S92 PolarHBondContact O-N 3.47Å; S92-A94 VanDerWaalsContact C-N 3.34Å; S92-A94 PolarHBondContact O-N 3.25Å; S92-L95 PolarHBondContact O-N 3.01Å; S92-D96 WeakPolarHBondContact O-CB 3.42Å; S92-D96 PolarHBondContact O-N 3.24Å
93E86.8Confident72.4Confident134 Ų13478.9 Ų78.963%0.62640%0.398SS*.Hα-helixtrans-63.6-37.7175.5-178.1178.5-168.300112.8P91 D96 T97P91-E93 PolarHBondContact O-N 3.3Å; P91-E93 VanDerWaalsContact O-N 3.14Å; E93-D96 PolarHBondContact O-N 2.9Å; E93-T97 WeakPolarHBondContact O-CB 3.44Å; E93-T97 PolarHBondContact O-N 3.42Å; E93-T97 PolarHBondContact O-OG1 3.41Å
94A88.1Confident73.7Confident0 Ų075 Ų750%037%0.372CS..Hα-helixtrans-72.2-36.3178.100000110.7V90 P91 S92 T97 I98 L210 Y213 F214V90-A94 HydrophobicContact CG1-CB 3.99Å; P91-A94 HydrophobicContact CB-CB 4.39Å; P91-A94 WeakPolarHBondContact O-CB 3.13Å; P91-A94 PolarHBondContact O-N 2.76Å; S92-A94 VanDerWaalsContact C-N 3.34Å; S92-A94 PolarHBondContact O-N 3.25Å; A94-T97 PolarHBondContact O-N 3.41Å; A94-I98 PolarHBondContact O-N 3.02Å; A94-I98 VanDerWaalsContact O-N 3.1Å; A94-L210 HydrophobicContact CB-CD1 4.22Å; A94-Y213 VanDerWaalsContact O-O 3.1Å; A94-F214 HydrophobicContact CB-CD1 4.28Å; A94-F214 HydrophobicContact CB-CE1 3.85Å; A94-F214 HydrophobicContact CB-CE2 4.17Å; A94-F214 HydrophobicContact CB-CZ 3.79Å
95L87.5Confident74.8Confident52 Ų5269.5 Ų69.527%0.27234%0.343SS..Hα-helixtrans-65.6-43.3171.7-71.8172000112.5V90 P91 S92 T97 I98 E99 Y213V90-L95 HydrophobicContact CB-CD1 4.4Å; V90-L95 HydrophobicContact CB-CD2 4.26Å; V90-L95 HydrophobicContact CB-CG 4.12Å; V90-L95 HydrophobicContact CG1-CD2 3.95Å; V90-L95 HydrophobicContact CG1-CG 3.75Å; P91-L95 PolarHBondContact O-N 3.03Å; P91-L95 VanDerWaalsContact O-N 3.14Å; S92-L95 PolarHBondContact O-N 3.01Å; L95-T97 VanDerWaalsContact C-N 3.27Å; L95-T97 PolarHBondContact O-N 3.07Å; L95-I98 WeakPolarHBondContact O-CG2 3.22Å; L95-E99 VanDerWaalsContact O-CG 3.31Å; L95-E99 WeakPolarHBondContact O-CG 3.31Å; L95-E99 PolarHBondContact O-N 2.94Å; L95-Y213 HydrophobicContact CD2-CD1 4.22Å; L95-Y213 HydrophobicContact CD2-CE1 3.83Å
96D84.7Confident75.9Confident64 Ų6464.9 Ų64.934%0.34233%0.334SS..Hα-helixtrans-63.2-36174.817575.8000111.3S92 E93 R100 K103S92-D96 WeakPolarHBondContact O-CB 3.42Å; S92-D96 PolarHBondContact O-N 3.24Å; E93-D96 PolarHBondContact O-N 2.9Å; D96-R100 VanDerWaalsContact O-CB 3.22Å; D96-R100 WeakPolarHBondContact O-CB 3.32Å; D96-R100 VanDerWaalsContact O-CD 3.27Å; D96-R100 WeakPolarHBondContact O-CD 3.46Å; D96-R100 WeakPolarHBondContact O-CG 3.41Å; D96-R100 PolarHBondContact O-N 3.09Å; D96-R100 WeakPolarHBondContact OD1-CD 3.46Å; D96-R100 IonicContact OD1-CZ 2.68Å; D96-R100 IonicContact OD1-NE 2.87Å; D96-R100 IonicContact OD1-NH1 2.69Å; D96-R100 PolarHBondContact OD1-NH1 2.92Å; D96-R100 IonicContact OD2-NH1 2.77Å; D96-K103 WeakPolarHBondContact OD2-CE 3.49Å; D96-K103 IonicContact OD2-NZ 3.89Å; D96-K103 PolarHBondContact OD2-NZ 3.37Å
97T87.1Confident76.7Confident11 Ų1165.2 Ų65.27%0.06734%0.335CS..Hα-helixtrans-68.3-49.4178.8-57.50000112.7E93 A94 L95 E99 R100 K103 F214 P216E93-T97 WeakPolarHBondContact O-CB 3.44Å; E93-T97 PolarHBondContact O-N 3.42Å; E93-T97 PolarHBondContact O-OG1 3.41Å; A94-T97 PolarHBondContact O-N 3.41Å; L95-T97 VanDerWaalsContact C-N 3.27Å; L95-T97 PolarHBondContact O-N 3.07Å; T97-E99 VanDerWaalsContact C-N 3.31Å; T97-E99 PolarHBondContact O-N 2.89Å; T97-R100 PolarHBondContact O-N 3.02Å; T97-K103 HydrophobicContact CG2-CD 4.13Å; T97-K103 PolarHBondContact OG1-NZ 2.83Å; T97-F214 WeakPolarHBondContact CG2-O 3.45Å; T97-P216 HydrophobicContact CG2-CG 4.18Å; T97-P216 WeakPolarHBondContact O-CA 3.41Å
98I88.2Confident77.4Confident1 Ų162.1 Ų62.11%0.00532%0.318CS..Hα-helixtrans-66.1-32-177-168.9165.5000113.3A94 L95 R100 H159 I192 L208 Y213 R217A94-I98 PolarHBondContact O-N 3.02Å; A94-I98 VanDerWaalsContact O-N 3.1Å; L95-I98 WeakPolarHBondContact O-CG2 3.22Å; I98-R100 VanDerWaalsContact C-N 3.28Å; I98-H159 HydrophobicContact CD1-CB 4.02Å; I98-I192 HydrophobicContact CD1-CD1 3.69Å; I98-I192 HydrophobicContact CG1-CD1 3.41Å; I98-I192 VanDerWaalsContact CG1-CD1 3.41Å; I98-L208 HydrophobicContact CD1-CD2 3.52Å; I98-Y213 HydrophobicContact CB-CD1 4.36Å; I98-Y213 HydrophobicContact CD1-CD1 4.12Å; I98-Y213 HydrophobicContact CD1-CG 4.5Å; I98-Y213 HydrophobicContact CG2-CD1 3.87Å; I98-Y213 HydrophobicContact CG2-CE1 4.44Å; I98-Y213 PolarHBondContact N-O 2.97Å; I98-R217 WeakPolarHBondContact O-CB 3.43Å; I98-R217 PolarHBondContact O-N 3.4Å
99E84.4Confident77.2Confident45 Ų4559.4 Ų59.421%0.2132%0.322CS..Hα-helixtrans-74.7-22.7179.5-70.4-78.9-165.500112.2L95 T97 H159 K173 R217L95-E99 VanDerWaalsContact O-CG 3.31Å; L95-E99 WeakPolarHBondContact O-CG 3.31Å; L95-E99 PolarHBondContact O-N 2.94Å; T97-E99 VanDerWaalsContact C-N 3.31Å; T97-E99 PolarHBondContact O-N 2.89Å; E99-H159 IonicContact OE1-CE1 3.88Å; E99-H159 PolarHBondContact OE1-CE1 2.76Å; E99-H159 IonicContact OE1-NE2 3.33Å; E99-H159 PolarHBondContact OE1-NE2 3.35Å; E99-K173 WeakPolarHBondContact OE1-CE 3.43Å; E99-K173 IonicContact OE1-NZ 3.92Å; E99-K173 PolarHBondContact OE1-NZ 3.46Å; E99-K173 IonicContact OE2-NZ 2.87Å; E99-K173 PolarHBondContact OE2-NZ 3.48Å; E99-R217 WeakPolarHBondContact O-CD 3.35Å
100R79.3Confident76Confident54 Ų5458.8 Ų58.820%0.20432%0.324CS..  trans-101.8134.6-168.7-76-179.486.9157.86.5112.7D96 T97 I98 D102 K103 P216 R217D96-R100 VanDerWaalsContact O-CB 3.22Å; D96-R100 WeakPolarHBondContact O-CB 3.32Å; D96-R100 VanDerWaalsContact O-CD 3.27Å; D96-R100 WeakPolarHBondContact O-CD 3.46Å; D96-R100 WeakPolarHBondContact O-CG 3.41Å; D96-R100 PolarHBondContact O-N 3.09Å; D96-R100 WeakPolarHBondContact OD1-CD 3.46Å; D96-R100 IonicContact OD1-CZ 2.68Å; D96-R100 IonicContact OD1-NE 2.87Å; D96-R100 IonicContact OD1-NH1 2.69Å; D96-R100 PolarHBondContact OD1-NH1 2.92Å; D96-R100 IonicContact OD2-NH1 2.77Å; T97-R100 PolarHBondContact O-N 3.02Å; I98-R100 VanDerWaalsContact C-N 3.28Å; R100-D102 VanDerWaalsContact CB-OD1 3.29Å; R100-D102 WeakPolarHBondContact CB-OD1 2.89Å; R100-D102 IonicContact CZ-OD1 3.02Å; R100-D102 IonicContact CZ-OD2 3.12Å; R100-D102 IonicContact NE-OD1 3.62Å; R100-D102 PolarHBondContact NE-OD1 2.9Å; R100-D102 IonicContact NE-OD2 3.68Å; R100-D102 PolarHBondContact NE-OD2 2.84Å; R100-D102 IonicContact NH2-OD1 3.79Å; R100-D102 IonicContact NH2-OD2 2.68Å; R100-D102 PolarHBondContact NH2-OD2 3.4Å; R100-K103 HydrophobicContact CB-CG 4.43Å; R100-P216 VanDerWaalsContact O-CB 3.31Å; R100-P216 WeakPolarHBondContact O-CB 3.31Å; R100-R217 PolarHBondContact O-N 2.97Å
101S74.7Confident74.8Confident3 Ų363 Ų632%0.02134%0.341CS..SBendtrans-98.1-21171.948.20000112.8K103 F104 T219 L220S101-K103 VanDerWaalsContact C-N 3.29Å; S101-K103 PolarHBondContact O-N 3.11Å; S101-F104 WeakPolarHBondContact O-CB 3.14Å; S101-F104 PolarHBondContact O-N 2.89Å; S101-T219 WeakPolarHBondContact CB-O 3.32Å; S101-L220 WeakPolarHBondContact OG-CD1 3.36Å
102D67Low73.7Confident38 Ų3866.8 Ų66.820%0.20335%0.354CS..Hα-helixtrans-68.3-26.3-178.664.5-19000112.9R100 F104 L105 A106R100-D102 VanDerWaalsContact CB-OD1 3.29Å; R100-D102 WeakPolarHBondContact CB-OD1 2.89Å; R100-D102 IonicContact CZ-OD1 3.02Å; R100-D102 IonicContact CZ-OD2 3.12Å; R100-D102 IonicContact NE-OD1 3.62Å; R100-D102 PolarHBondContact NE-OD1 2.9Å; R100-D102 IonicContact NE-OD2 3.68Å; R100-D102 PolarHBondContact NE-OD2 2.84Å; R100-D102 IonicContact NH2-OD1 3.79Å; R100-D102 IonicContact NH2-OD2 2.68Å; R100-D102 PolarHBondContact NH2-OD2 3.4Å; D102-F104 PolarHBondContact O-N 3.32Å; D102-L105 HydrophobicContact CB-CD1 4.36Å; D102-L105 WeakPolarHBondContact O-CA 3.28Å; D102-L105 VanDerWaalsContact O-CB 3.27Å; D102-L105 WeakPolarHBondContact O-CB 3.36Å; D102-L105 PolarHBondContact O-N 3.49Å; D102-A106 PolarHBondContact O-N 3.34Å
103K68.6Low73.4Confident60 Ų6063 Ų6326%0.26133%0.325SS..Hα-helixtrans-59.1-27.9173-69.8-165.4-175.6-178.90113D96 T97 R100 S101 L105 A106 P216D96-K103 WeakPolarHBondContact OD2-CE 3.49Å; D96-K103 IonicContact OD2-NZ 3.89Å; D96-K103 PolarHBondContact OD2-NZ 3.37Å; T97-K103 HydrophobicContact CG2-CD 4.13Å; T97-K103 PolarHBondContact OG1-NZ 2.83Å; R100-K103 HydrophobicContact CB-CG 4.43Å; S101-K103 VanDerWaalsContact C-N 3.29Å; S101-K103 PolarHBondContact O-N 3.11Å; K103-L105 VanDerWaalsContact C-N 3.35Å; K103-A106 PolarHBondContact O-N 2.79Å; K103-P216 HydrophobicContact CB-CG 3.95Å
104F67.9Low73.3Confident21 Ų2157.4 Ų57.49%0.09230%0.299CS..Hα-helixtrans-70.1-32.6172.3179.5-105.7000112.3S101 D102 A106 D107 Y108 F131 T135S101-F104 WeakPolarHBondContact O-CB 3.14Å; S101-F104 PolarHBondContact O-N 2.89Å; D102-F104 PolarHBondContact O-N 3.32Å; F104-A106 PolarHBondContact O-N 2.86Å; F104-D107 PolarHBondContact O-N 3.33Å; F104-Y108 HydrophobicContact CD1-CE2 4.46Å; F104-Y108 HydrophobicContact CD2-CE2 4.14Å; F104-Y108 HydrophobicContact CE1-CD2 4.2Å; F104-Y108 AromaticContact CE1-CE2 3.78Å; F104-Y108 HydrophobicContact CE1-CE2 3.78Å; F104-Y108 HydrophobicContact CE2-CD2 4.34Å; F104-Y108 AromaticContact CE2-CE2 3.38Å; F104-Y108 HydrophobicContact CE2-CE2 3.38Å; F104-Y108 HydrophobicContact CZ-CD2 4.05Å; F104-Y108 AromaticContact CZ-CE2 3.19Å; F104-Y108 HydrophobicContact CZ-CE2 3.19Å; F104-Y108 AromaticContact CZ-CZ 3.7Å; F104-Y108 WeakPolarHBondContact O-CD2 3.04Å; F104-F131 HydrophobicContact CD1-CD1 4.05Å; F104-F131 AromaticContact CD1-CD2 3.7Å; F104-F131 HydrophobicContact CD1-CD2 3.7Å; F104-F131 HydrophobicContact CD1-CE1 4.03Å; F104-F131 AromaticContact CD1-CE2 3.69Å; F104-F131 HydrophobicContact CD1-CE2 3.69Å; F104-F131 AromaticContact CD1-CG 3.88Å; F104-F131 HydrophobicContact CD1-CG 3.88Å; F104-F131 AromaticContact CD1-CZ 3.85Å; F104-F131 HydrophobicContact CD1-CZ 3.85Å; F104-F131 HydrophobicContact CE1-CB 3.93Å; F104-F131 AromaticContact CE1-CD1 3.67Å; F104-F131 HydrophobicContact CE1-CD1 3.67Å; F104-F131 AromaticContact CE1-CD2 3.81Å; F104-F131 HydrophobicContact CE1-CD2 3.81Å; F104-F131 HydrophobicContact CE1-CE1 4.07Å; F104-F131 HydrophobicContact CE1-CE2 4.22Å; F104-F131 AromaticContact CE1-CG 3.51Å; F104-F131 HydrophobicContact CE1-CG 3.51Å; F104-F131 HydrophobicContact CE1-CZ 4.33Å; F104-F131 HydrophobicContact CG-CE2 4.49Å; F104-F131 HydrophobicContact CZ-CB 4.34Å; F104-F131 HydrophobicContact CZ-CG 4.37Å; F104-T135 HydrophobicContact CD1-CG2 4.28Å; F104-T135 HydrophobicContact CD2-CG2 3.43Å; F104-T135 VanDerWaalsContact CD2-CG2 3.43Å; F104-T135 HydrophobicContact CE1-CG2 3.96Å; F104-T135 HydrophobicContact CE2-CG2 3.02Å; F104-T135 HydrophobicContact CG-CG2 4.04Å; F104-T135 HydrophobicContact CZ-CG2 3.31Å
105L67.8Low73.4Confident34 Ų3460.8 Ų60.818%0.17832%0.315CS..Hα-helixtrans-66.2-29.2178.1-56.7175000111.7D102 K103 D107 Y108 L114 F131 L220 V257 V268D102-L105 HydrophobicContact CB-CD1 4.36Å; D102-L105 WeakPolarHBondContact O-CA 3.28Å; D102-L105 VanDerWaalsContact O-CB 3.27Å; D102-L105 WeakPolarHBondContact O-CB 3.36Å; D102-L105 PolarHBondContact O-N 3.49Å; K103-L105 VanDerWaalsContact C-N 3.35Å; L105-D107 PolarHBondContact O-N 2.97Å; L105-Y108 PolarHBondContact O-N 3.36Å; L105-Y108 VanDerWaalsContact O-N 3.14Å; L105-L114 HydrophobicContact CD2-CD1 3.27Å; L105-F131 HydrophobicContact CD2-CE1 4.35Å; L105-F131 HydrophobicContact CD2-CZ 4.3Å; L105-L220 HydrophobicContact CD1-CD2 4.44Å; L105-L220 HydrophobicContact CD2-CD2 4.45Å; L105-V257 HydrophobicContact CD1-CG2 4.23Å; L105-V257 HydrophobicContact CD2-CG2 4.16Å; L105-V268 HydrophobicContact CD1-CG2 4.49Å
106A67Low73.5Confident73 Ų7358.3 Ų58.360%0.60330%0.302SS*.THydrogen-bonded Turntrans-65.5-24.5179.100000113.5D102 K103 F104 Y108D102-A106 PolarHBondContact O-N 3.34Å; K103-A106 PolarHBondContact O-N 2.79Å; F104-A106 PolarHBondContact O-N 2.86Å; A106-Y108 PolarHBondContact O-N 3.33Å
107D64.8Low73.8Confident122 Ų12261.8 Ų61.865%0.65231%0.311SS*.THydrogen-bonded Turntrans-75.6-9.9176.9-67.9-28.1000112.7F104 L105 P109F104-D107 PolarHBondContact O-N 3.33Å; L105-D107 PolarHBondContact O-N 2.97Å; D107-P109 WeakPolarHBondContact O-CD 3.49Å
108Y63.6Low74.1Confident77 Ų7762.4 Ų62.430%0.30232%0.315SS..  trans-123.560.2-178.2-62.8-93000111.6F104 L105 A106 D110 E111 L114F104-Y108 HydrophobicContact CD1-CE2 4.46Å; F104-Y108 HydrophobicContact CD2-CE2 4.14Å; F104-Y108 HydrophobicContact CE1-CD2 4.2Å; F104-Y108 AromaticContact CE1-CE2 3.78Å; F104-Y108 HydrophobicContact CE1-CE2 3.78Å; F104-Y108 HydrophobicContact CE2-CD2 4.34Å; F104-Y108 AromaticContact CE2-CE2 3.38Å; F104-Y108 HydrophobicContact CE2-CE2 3.38Å; F104-Y108 HydrophobicContact CZ-CD2 4.05Å; F104-Y108 AromaticContact CZ-CE2 3.19Å; F104-Y108 HydrophobicContact CZ-CE2 3.19Å; F104-Y108 AromaticContact CZ-CZ 3.7Å; F104-Y108 WeakPolarHBondContact O-CD2 3.04Å; L105-Y108 PolarHBondContact O-N 3.36Å; L105-Y108 VanDerWaalsContact O-N 3.14Å; A106-Y108 PolarHBondContact O-N 3.33Å; Y108-D110 PolarHBondContact O-N 3.38Å; Y108-E111 HydrophobicContact CD1-CB 4.43Å; Y108-E111 VanDerWaalsContact CD1-OE2 3.24Å; Y108-E111 WeakPolarHBondContact CD1-OE2 3.32Å; Y108-L114 HydrophobicContact CD1-CD2 3.91Å; Y108-L114 HydrophobicContact CD2-CD2 4.14Å; Y108-L114 HydrophobicContact CE1-CD2 4.47Å; Y108-L114 HydrophobicContact CG-CD2 3.7Å
109P57.2Low74.2Confident106 Ų10665.5 Ų65.569%0.68833%0.331SS*.SBendtrans-65.5-24.3-175.427.2-34.6000113.5D107D107-P109 WeakPolarHBondContact O-CD 3.49Å
110D54Low74.5Confident151 Ų15167.3 Ų67.381%0.80734%0.339SS*.SBendtrans-111.6-13-171.4-63.1-41.7000114Y108 Q112Y108-D110 PolarHBondContact O-N 3.38Å; D110-Q112 PolarHBondContact O-N 2.74Å
111E57.4Low75Confident117 Ų11765 Ų6555%0.54733%0.331SS..  trans-87.4101.3177.3-74.9-176.2-178.400109.7Y108 Q113Y108-E111 HydrophobicContact CD1-CB 4.43Å; Y108-E111 VanDerWaalsContact CD1-OE2 3.24Å; Y108-E111 WeakPolarHBondContact CD1-OE2 3.32Å; E111-Q113 PolarHBondContact O-N 2.86Å
112Q65.9Low75.7Confident136 Ų13666.5 Ų66.564%0.63634%0.336SS*.SBendtrans-61.9-10.4176.1-70-173.93.700113.2D110 S256D110-Q112 PolarHBondContact O-N 2.74Å; Q112-S256 VanDerWaalsContact O-CA 3.28Å; Q112-S256 WeakPolarHBondContact O-CA 3.39Å; Q112-S256 WeakPolarHBondContact O-CB 3.34Å; Q112-S256 PolarHBondContact O-OG 3.47Å
113Q79.1Confident76.9Confident25 Ų2565.1 Ų65.112%0.11733%0.33CS..  trans-139127.7-177.1-67-154.4-32.600112.8E111 H254 I255 Y273 D276 K277E111-Q113 PolarHBondContact O-N 2.86Å; Q113-H254 HydrophobicContact CB-CB 4.47Å; Q113-I255 CarbonylContact C-O 3.36Å; Q113-I255 VanDerWaalsContact CA-O 3.26Å; Q113-I255 WeakPolarHBondContact CA-O 3.34Å; Q113-Y273 VanDerWaalsContact NE2-CE2 3.26Å; Q113-D276 PolarHBondContact OE1-OD1 2.97Å; Q113-D276 VanDerWaalsContact OE1-OD1 3.06Å; Q113-K277 VanDerWaalsContact CD-CB 3.48Å; Q113-K277 HydrophobicContact CG-CD 4.47Å
114L86Confident78Confident15 Ų1562.3 Ų62.38%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-109.1129.5174.4-61.3171.7000109.5L105 Y108 F131 H254 I255L105-L114 HydrophobicContact CD2-CD1 3.27Å; Y108-L114 HydrophobicContact CD1-CD2 3.91Å; Y108-L114 HydrophobicContact CD2-CD2 4.14Å; Y108-L114 HydrophobicContact CE1-CD2 4.47Å; Y108-L114 HydrophobicContact CG-CD2 3.7Å; L114-F131 HydrophobicContact CB-CD1 4.25Å; L114-F131 HydrophobicContact CB-CE1 4.38Å; L114-F131 HydrophobicContact CD1-CD1 4.3Å; L114-F131 HydrophobicContact CD1-CE1 3.82Å; L114-H254 CarbonylContact O-C 3.17Å; L114-H254 WeakPolarHBondContact O-CA 3.45Å; L114-I255 HydrophobicContact CB-CG1 4.02Å; L114-I255 PolarHBondContact N-O 2.7Å; L114-I255 PolarHBondContact O-N 2.75Å
115Q88.8Confident79Confident71 Ų7161.6 Ų61.633%0.33232%0.316SS..EExtended strand (participates in β ladder)trans-71.8134.3173.6-164.1-18034.200110.2I132 T252 Y253Q115-I132 HydrophobicContact CB-CB 4.22Å; Q115-I132 HydrophobicContact CG-CB 4.04Å; Q115-I132 HydrophobicContact CG-CD1 4.14Å; Q115-I132 HydrophobicContact CG-CG1 4.47Å; Q115-I132 PolarHBondContact O-N 2.9Å; Q115-T252 PolarHBondContact NE2-OG1 3.37Å; Q115-Y253 CarbonylContact C-O 3.57Å; Q115-Y253 WeakPolarHBondContact CA-O 3.38Å
116C91Very high80Confident0 Ų060.1 Ų60.10%031%0.308CS..EExtended strand (participates in β ladder)trans-144.6169-175.273.90000113.6V129 T130 Y253C116-V129 HydrophobicContact CB-CB 4.24Å; C116-T130 CarbonylContact C-O 3.44Å; C116-T130 WeakPolarHBondContact CA-O 3.33Å; C116-T130 WeakPolarHBondContact CB-O 3.4Å; C116-Y253 PolarHBondContact N-O 2.73Å; C116-Y253 PolarHBondContact O-N 2.83Å
117R91.2Very high81.2Confident137 Ų13756.7 Ų56.752%0.51728%0.279SS..EExtended strand (participates in β ladder)trans-116.9138.1161.8-59.8-174.4178.4154.5-0.4108.8V129 T130 I132R117-V129 CarbonylContact O-C 3.6Å; R117-V129 WeakPolarHBondContact O-CA 3.42Å; R117-V129 WeakPolarHBondContact O-CB 3.35Å; R117-T130 HydrophobicContact CB-CG2 4.02Å; R117-T130 PolarHBondContact N-O 3.3Å; R117-T130 PolarHBondContact O-N 3.05Å; R117-I132 HydrophobicContact CG-CD1 3.66Å; R117-I132 HydrophobicContact CG-CG1 4.07Å
118V92.5Very high82.4Confident25 Ų2551 Ų5115%0.15225%0.249CC..EExtended strand (participates in β ladder)trans-81.1121.7170.1-1760000108.1V121 F127 V129 C246 Y253 L272V118-V121 HydrophobicContact CG1-CG2 3.64Å; V118-F127 HydrophobicContact CG1-CD2 4.38Å; V118-V129 HydrophobicContact CG2-CG1 4.25Å; V118-C246 HydrophobicContact CB-CB 4.1Å; V118-C246 HydrophobicContact CG1-CB 4.01Å; V118-C246 HydrophobicContact CG2-CB 4.41Å; V118-Y253 HydrophobicContact CG2-CD2 3.99Å; V118-Y253 HydrophobicContact CG2-CE2 4.37Å; V118-Y253 HydrophobicContact CG2-CG 4.25Å; V118-L272 HydrophobicContact CG2-CD1 4.19Å; V118-L272 HydrophobicContact CG2-CD2 4.19Å
119L90.7Very high83.8Confident66 Ų6647.3 Ų47.335%0.34623%0.234SC..EExtended strand (participates in β ladder)trans-90.8-41.8-177.7-66.2175000111.9L128 T130 D194 T219L119-L128 HydrophobicContact CB-CB 4.32Å; L119-L128 HydrophobicContact CB-CD2 4.09Å; L119-L128 HydrophobicContact CB-CG 4.32Å; L119-L128 HydrophobicContact CD1-CD2 3.83Å; L119-L128 HydrophobicContact CD1-CG 4.13Å; L119-L128 PolarHBondContact N-O 3.09Å; L119-T130 HydrophobicContact CD1-CG2 4.1Å; L119-T130 HydrophobicContact CD2-CG2 3.81Å; L119-T130 HydrophobicContact CG-CG2 4.01Å; L119-D194 WeakPolarHBondContact CD1-O 3.16Å; L119-T219 HydrophobicContact CD1-CG2 3.61Å
120E89.4Confident85.4Confident82 Ų8243 Ų4338%0.38321%0.206SC..EExtended strand (participates in β ladder)trans-153.3144.1-177.3-175.759.7-126.800110Y122 F127 L128E120-Y122 HydrophobicContact CB-CE2 4.14Å; E120-Y122 HydrophobicContact CG-CD1 4.45Å; E120-Y122 HydrophobicContact CG-CD2 4.25Å; E120-Y122 HydrophobicContact CG-CE1 3.92Å; E120-Y122 HydrophobicContact CG-CE2 3.7Å; E120-F127 CarbonylContact O-C 3.01Å; E120-F127 WeakPolarHBondContact O-CA 3.34Å; E120-F127 WeakPolarHBondContact O-CB 3.4Å; E120-L128 HydrophobicContact CB-CB 4.3Å; E120-L128 PolarHBondContact N-O 3.42Å; E120-L128 PolarHBondContact O-N 3.38Å
121V91.3Very high87Confident6 Ų636.1 Ų36.14%0.03617%0.169CC..EExtended strand (participates in β ladder)trans-122.4110177.1177.40000109V118 F127 L242 K243 C246V118-V121 HydrophobicContact CG1-CG2 3.64Å; V121-F127 HydrophobicContact CB-CB 4.47Å; V121-F127 HydrophobicContact CG2-CB 4.25Å; V121-L242 HydrophobicContact CG1-CB 4.14Å; V121-L242 HydrophobicContact CG1-CD2 3.66Å; V121-L242 HydrophobicContact CG1-CG 3.74Å; V121-K243 HydrophobicContact CB-CG 3.84Å; V121-K243 HydrophobicContact CG1-CG 4.01Å; V121-K243 VanDerWaalsContact O-CE 3.22Å; V121-K243 WeakPolarHBondContact O-CE 3.27Å; V121-C246 HydrophobicContact CG2-CB 4.05Å
122Y88.9Confident88.3Confident34 Ų3432.6 Ų32.613%0.13315%0.153CC..EExtended strand (participates in β ladder)trans-88.9-50.1174.7-52.9-89.7000110.3E120 I126 I239 L315 T316E120-Y122 HydrophobicContact CB-CE2 4.14Å; E120-Y122 HydrophobicContact CG-CD1 4.45Å; E120-Y122 HydrophobicContact CG-CD2 4.25Å; E120-Y122 HydrophobicContact CG-CE1 3.92Å; E120-Y122 HydrophobicContact CG-CE2 3.7Å; Y122-I126 WeakPolarHBondContact CA-O 3.42Å; Y122-I126 VanDerWaalsContact CB-O 3.27Å; Y122-I126 WeakPolarHBondContact CB-O 3.39Å; Y122-I126 HydrophobicContact CD2-CG1 3.94Å; Y122-I126 WeakPolarHBondContact CD2-O 3.47Å; Y122-I126 HydrophobicContact CG-CG2 4.44Å; Y122-I126 PolarHBondContact N-O 3.08Å; Y122-I126 VanDerWaalsContact N-O 3.09Å; Y122-I239 WeakPolarHBondContact O-CG2 3.22Å; Y122-L315 HydrophobicContact CD1-CB 4.44Å; Y122-L315 WeakPolarHBondContact CE1-O 3.29Å; Y122-T316 HydrophobicContact CE2-CG2 4.48Å; Y122-T316 VanDerWaalsContact OH-CG2 3.32Å; Y122-T316 WeakPolarHBondContact OH-CG2 3.37Å
123S91.1Very high89.2Confident10 Ų1031 Ų317%0.0716%0.155CC..EExtended strand (participates in β ladder)trans-160.5174.3172.773.30000110.1S125 I126S123-S125 PolarHBondContact O-N 2.75Å; S123-S125 PolarHBondContact OG-N 3.35Å; S123-I126 PolarHBondContact N-O 3.39Å; S123-I126 CarbonylContact O-C 3.51Å; S123-I126 PolarHBondContact O-N 2.84Å; S123-I126 PolarHBondContact OG-N 3.05Å
124P92Very high89.2Confident1 Ų134.1 Ų34.11%0.00618%0.176CC..THydrogen-bonded Turntrans-57.8-27.5169.5-25.735.2000114I126 C223 L224 I227 W234 T238 L242 L289P124-I126 VanDerWaalsContact C-N 3.3Å; P124-C223 CarbonylContact O-C 3.47Å; P124-C223 WeakPolarHBondContact O-CA 3.49Å; P124-L224 HydrophobicContact CB-CB 4.43Å; P124-L224 HydrophobicContact CB-CD1 4.17Å; P124-L224 HydrophobicContact CB-CG 4.49Å; P124-L224 PolarHBondContact O-N 3.32Å; P124-I227 HydrophobicContact CB-CD1 4.04Å; P124-W234 HydrophobicContact CB-CD2 4.03Å; P124-W234 HydrophobicContact CB-CE3 4.25Å; P124-W234 HydrophobicContact CB-CH2 3.8Å; P124-W234 HydrophobicContact CB-CZ2 3.58Å; P124-W234 HydrophobicContact CB-CZ3 4.13Å; P124-W234 HydrophobicContact CG-CD2 3.66Å; P124-W234 HydrophobicContact CG-CE3 3.72Å; P124-W234 HydrophobicContact CG-CG 4.22Å; P124-W234 HydrophobicContact CG-CH2 4.14Å; P124-W234 HydrophobicContact CG-CZ2 4.13Å; P124-W234 HydrophobicContact CG-CZ3 3.94Å; P124-T238 HydrophobicContact CG-CG2 3.63Å; P124-L242 HydrophobicContact CB-CD2 4.28Å; P124-L242 HydrophobicContact CG-CD2 4.09Å; P124-L289 HydrophobicContact CB-CD1 4.4Å; P124-L289 HydrophobicContact CG-CD1 4.01Å
125S89.1Confident88.7Confident6 Ų635 Ų354%0.04218%0.182CC..THydrogen-bonded Turntrans-79.1-12174.9-54.40000113.8S123 C223 W234 Y306S123-S125 PolarHBondContact O-N 2.75Å; S123-S125 PolarHBondContact OG-N 3.35Å; S125-C223 WeakPolarHBondContact O-CB 3.46Å; S125-W234 PolarHBondContact OG-NE1 3.5Å; S125-Y306 PolarHBondContact OG-O 3.29Å
126I89.4Confident88.4Confident2 Ų234.7 Ų34.71%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-157.4114.4179.2-179.5160.2000112.2Y122 S123 P124 C222 I267 L308 V312 L315Y122-I126 WeakPolarHBondContact CA-O 3.42Å; Y122-I126 VanDerWaalsContact CB-O 3.27Å; Y122-I126 WeakPolarHBondContact CB-O 3.39Å; Y122-I126 HydrophobicContact CD2-CG1 3.94Å; Y122-I126 WeakPolarHBondContact CD2-O 3.47Å; Y122-I126 HydrophobicContact CG-CG2 4.44Å; Y122-I126 PolarHBondContact N-O 3.08Å; Y122-I126 VanDerWaalsContact N-O 3.09Å; S123-I126 PolarHBondContact N-O 3.39Å; S123-I126 CarbonylContact O-C 3.51Å; S123-I126 PolarHBondContact O-N 2.84Å; S123-I126 PolarHBondContact OG-N 3.05Å; P124-I126 VanDerWaalsContact C-N 3.3Å; I126-C222 CarbonylContact C-O 3.59Å; I126-C222 VanDerWaalsContact CA-O 3.26Å; I126-C222 WeakPolarHBondContact CA-O 3.47Å; I126-I267 HydrophobicContact CD1-CD1 4.4Å; I126-L308 HydrophobicContact CB-CD2 4.28Å; I126-L308 HydrophobicContact CG2-CD2 4.34Å; I126-V312 HydrophobicContact CD1-CB 4.05Å; I126-V312 HydrophobicContact CD1-CG1 3.77Å; I126-V312 HydrophobicContact CD1-CG2 3.74Å; I126-L315 HydrophobicContact CD1-CD1 4.04Å; I126-L315 HydrophobicContact CG2-CD1 4.01Å
127F91.6Very high88Confident1 Ų135.1 Ų35.10%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-141.3159.4168.760.8-84.4000109.5V118 E120 V121 V129 H221 C222 L224 V270 L272V118-F127 HydrophobicContact CG1-CD2 4.38Å; E120-F127 CarbonylContact O-C 3.01Å; E120-F127 WeakPolarHBondContact O-CA 3.34Å; E120-F127 WeakPolarHBondContact O-CB 3.4Å; V121-F127 HydrophobicContact CB-CB 4.47Å; V121-F127 HydrophobicContact CG2-CB 4.25Å; F127-V129 HydrophobicContact CD2-CG1 3.75Å; F127-V129 HydrophobicContact CE2-CG1 3.66Å; F127-H221 WeakPolarHBondContact O-CA 3.22Å; F127-C222 HydrophobicContact CD1-CB 4.25Å; F127-C222 VanDerWaalsContact CD1-O 3.3Å; F127-C222 WeakPolarHBondContact CD1-O 3.39Å; F127-C222 HydrophobicContact CD2-CB 3.99Å; F127-C222 HydrophobicContact CE1-CB 3.77Å; F127-C222 HydrophobicContact CE2-CB 3.49Å; F127-C222 VanDerWaalsContact CE2-CB 3.49Å; F127-C222 HydrophobicContact CG-CB 4.36Å; F127-C222 HydrophobicContact CZ-CB 3.37Å; F127-C222 PolarHBondContact N-O 3.38Å; F127-C222 PolarHBondContact O-N 2.93Å; F127-L224 HydrophobicContact CE1-CD2 3.76Å; F127-L224 HydrophobicContact CE1-CG 3.79Å; F127-L224 HydrophobicContact CZ-CD2 3.84Å; F127-L224 HydrophobicContact CZ-CG 4.39Å; F127-V270 HydrophobicContact CE1-CG2 4.41Å; F127-V270 HydrophobicContact CE2-CG2 4.35Å; F127-V270 HydrophobicContact CZ-CG2 3.57Å; F127-L272 HydrophobicContact CE2-CD2 4.35Å
128L91.2Very high87.3Confident3 Ų334.6 Ų34.62%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-109.1134.1-176.2-168.575.1000110.1L119 E120 G195 T219L119-L128 HydrophobicContact CB-CB 4.32Å; L119-L128 HydrophobicContact CB-CD2 4.09Å; L119-L128 HydrophobicContact CB-CG 4.32Å; L119-L128 HydrophobicContact CD1-CD2 3.83Å; L119-L128 HydrophobicContact CD1-CG 4.13Å; L119-L128 PolarHBondContact N-O 3.09Å; E120-L128 HydrophobicContact CB-CB 4.3Å; E120-L128 PolarHBondContact N-O 3.42Å; E120-L128 PolarHBondContact O-N 3.38Å; L128-G195 VanDerWaalsContact CD2-CA 3.48Å; L128-T219 HydrophobicContact CD2-CG2 4.31Å
129V92.1Very high86.3Confident0 Ų034.5 Ų34.50%019%0.193CC..EExtended strand (participates in β ladder)trans-123.6160.1174.1-54.70000111.9C116 R117 V118 F127 T219 L220 I255C116-V129 HydrophobicContact CB-CB 4.24Å; R117-V129 CarbonylContact O-C 3.6Å; R117-V129 WeakPolarHBondContact O-CA 3.42Å; R117-V129 WeakPolarHBondContact O-CB 3.35Å; V118-V129 HydrophobicContact CG2-CG1 4.25Å; F127-V129 HydrophobicContact CD2-CG1 3.75Å; F127-V129 HydrophobicContact CE2-CG1 3.66Å; V129-T219 CarbonylContact O-C 3.51Å; V129-T219 WeakPolarHBondContact O-CA 3.5Å; V129-L220 HydrophobicContact CG2-CB 3.88Å; V129-L220 PolarHBondContact N-O 3.06Å; V129-L220 PolarHBondContact O-N 3.47Å; V129-I255 HydrophobicContact CG2-CD1 4.34Å
130T90.2Very high84.8Confident15 Ų1540 Ų409%0.09221%0.214CC..EExtended strand (participates in β ladder)trans-128.1156.3163.5-170.10000110.1C116 R117 L119 S218C116-T130 CarbonylContact C-O 3.44Å; C116-T130 WeakPolarHBondContact CA-O 3.33Å; C116-T130 WeakPolarHBondContact CB-O 3.4Å; R117-T130 HydrophobicContact CB-CG2 4.02Å; R117-T130 PolarHBondContact N-O 3.3Å; R117-T130 PolarHBondContact O-N 3.05Å; L119-T130 HydrophobicContact CD1-CG2 4.1Å; L119-T130 HydrophobicContact CD2-CG2 3.81Å; L119-T130 HydrophobicContact CG-CG2 4.01Å; T130-S218 WeakPolarHBondContact CA-O 3.48Å; T130-S218 WeakPolarHBondContact CB-O 3.32Å; T130-S218 PolarHBondContact OG1-O 2.78Å
131F87.3Confident83.1Confident6 Ų637.7 Ų37.73%0.02621%0.207CC..EExtended strand (participates in β ladder)trans-90.7155.1-172.5-56.1-80.2000113F104 L105 L114 P133 T134 T135 L220 I255F104-F131 HydrophobicContact CD1-CD1 4.05Å; F104-F131 AromaticContact CD1-CD2 3.7Å; F104-F131 HydrophobicContact CD1-CD2 3.7Å; F104-F131 HydrophobicContact CD1-CE1 4.03Å; F104-F131 AromaticContact CD1-CE2 3.69Å; F104-F131 HydrophobicContact CD1-CE2 3.69Å; F104-F131 AromaticContact CD1-CG 3.88Å; F104-F131 HydrophobicContact CD1-CG 3.88Å; F104-F131 AromaticContact CD1-CZ 3.85Å; F104-F131 HydrophobicContact CD1-CZ 3.85Å; F104-F131 HydrophobicContact CE1-CB 3.93Å; F104-F131 AromaticContact CE1-CD1 3.67Å; F104-F131 HydrophobicContact CE1-CD1 3.67Å; F104-F131 AromaticContact CE1-CD2 3.81Å; F104-F131 HydrophobicContact CE1-CD2 3.81Å; F104-F131 HydrophobicContact CE1-CE1 4.07Å; F104-F131 HydrophobicContact CE1-CE2 4.22Å; F104-F131 AromaticContact CE1-CG 3.51Å; F104-F131 HydrophobicContact CE1-CG 3.51Å; F104-F131 HydrophobicContact CE1-CZ 4.33Å; F104-F131 HydrophobicContact CG-CE2 4.49Å; F104-F131 HydrophobicContact CZ-CB 4.34Å; F104-F131 HydrophobicContact CZ-CG 4.37Å; L105-F131 HydrophobicContact CD2-CE1 4.35Å; L105-F131 HydrophobicContact CD2-CZ 4.3Å; L114-F131 HydrophobicContact CB-CD1 4.25Å; L114-F131 HydrophobicContact CB-CE1 4.38Å; L114-F131 HydrophobicContact CD1-CD1 4.3Å; L114-F131 HydrophobicContact CD1-CE1 3.82Å; F131-P133 CarbonylContact C-O 3.56Å; F131-P133 CarbonylContact O-C 3.59Å; F131-T134 WeakPolarHBondContact O-CA 3.28Å; F131-T134 PolarHBondContact O-N 2.88Å; F131-T135 HydrophobicContact CB-CG2 4.3Å; F131-L220 HydrophobicContact CE1-CD2 4.47Å; F131-L220 HydrophobicContact CE2-CB 4.15Å; F131-L220 HydrophobicContact CZ-CB 3.85Å; F131-L220 HydrophobicContact CZ-CD2 3.89Å; F131-L220 HydrophobicContact CZ-CG 4.48Å; F131-I255 HydrophobicContact CE1-CD1 4.09Å
132I86.3Confident81.1Confident43 Ų4343 Ų4322%0.22123%0.233CC..SBendtrans-121.7124.4172.7-52.4-179.3000108.3Q115 R117 T252Q115-I132 HydrophobicContact CB-CB 4.22Å; Q115-I132 HydrophobicContact CG-CB 4.04Å; Q115-I132 HydrophobicContact CG-CD1 4.14Å; Q115-I132 HydrophobicContact CG-CG1 4.47Å; Q115-I132 PolarHBondContact O-N 2.9Å; R117-I132 HydrophobicContact CG-CD1 3.66Å; R117-I132 HydrophobicContact CG-CG1 4.07Å; I132-T252 HydrophobicContact CD1-CG2 3.31Å
133P83.9Confident78.9Confident104 Ų10450.8 Ų50.868%0.67527%0.271SS*.SBendcis-62.6156.5-7.629.9-35.6000111.8F131 T135F131-P133 CarbonylContact C-O 3.56Å; F131-P133 CarbonylContact O-C 3.59Å; P133-T135 PolarHBondContact O-N 3.28Å
134T79.3Confident76.8Confident90 Ų9053.8 Ų53.855%0.55230%0.303SS*.  trans-64137.4178.8-174.30000110.6F131 K136F131-T134 WeakPolarHBondContact O-CA 3.28Å; F131-T134 PolarHBondContact O-N 2.88Å; T134-K136 VanDerWaalsContact C-N 3.26Å; T134-K136 HydrophobicContact CG2-CB 4.46Å; T134-K136 WeakPolarHBondContact OG1-CB 3.29Å; T134-K136 PolarHBondContact OG1-N 2.99Å
135T75.3Confident74.7Confident34 Ų3457 Ų5721%0.20934%0.337CS..  trans-88.70.3177.464.60000112.2F104 F131 P133 S218F104-T135 HydrophobicContact CD1-CG2 4.28Å; F104-T135 HydrophobicContact CD2-CG2 3.43Å; F104-T135 VanDerWaalsContact CD2-CG2 3.43Å; F104-T135 HydrophobicContact CE1-CG2 3.96Å; F104-T135 HydrophobicContact CE2-CG2 3.02Å; F104-T135 HydrophobicContact CG-CG2 4.04Å; F104-T135 HydrophobicContact CZ-CG2 3.31Å; F131-T135 HydrophobicContact CB-CG2 4.3Å; P133-T135 PolarHBondContact O-N 3.28Å; T135-S218 VanDerWaalsContact C-OG 3.31Å; T135-S218 WeakPolarHBondContact OG1-CA 3.38Å; T135-S218 VanDerWaalsContact OG1-CB 3.28Å; T135-S218 WeakPolarHBondContact OG1-CB 3.3Å; T135-S218 PolarHBondContact OG1-OG 3.32Å
136K81.8Confident73.3Confident63 Ų6365.2 Ų65.227%0.27437%0.372SS..  trans-60.5129.2-176178.8176.5170.1178.20109.1T134 V138 E170 D193 S218T134-K136 VanDerWaalsContact C-N 3.26Å; T134-K136 HydrophobicContact CG2-CB 4.46Å; T134-K136 WeakPolarHBondContact OG1-CB 3.29Å; T134-K136 PolarHBondContact OG1-N 2.99Å; K136-V138 PolarHBondContact O-N 3.25Å; K136-E170 WeakPolarHBondContact CE-OE2 3.38Å; K136-E170 IonicContact NZ-OE1 3.31Å; K136-E170 PolarHBondContact NZ-OE1 2.76Å; K136-E170 IonicContact NZ-OE2 3.77Å; K136-E170 PolarHBondContact NZ-OE2 3.32Å; K136-D193 HydrophobicContact CB-CB 4.47Å; K136-D193 HydrophobicContact CD-CB 4Å; K136-D193 HydrophobicContact CG-CB 4.07Å; K136-S218 WeakPolarHBondContact CA-OG 3.35Å; K136-S218 PolarHBondContact N-OG 2.77Å
137P82.6Confident72.5Confident10 Ų1074 Ų747%0.06541%0.41CS..  trans-60.4129.6177.123.7-32.3000109.6V139 Y212 Y215P137-V139 PolarHBondContact O-N 3.41Å; P137-Y212 HydrophobicContact CB-CD1 3.99Å; P137-Y212 HydrophobicContact CB-CE1 4.09Å; P137-Y212 HydrophobicContact CG-CD1 4.02Å; P137-Y212 HydrophobicContact CG-CE1 4.47Å; P137-Y215 HydrophobicContact CB-CD1 3.88Å; P137-Y215 HydrophobicContact CB-CD2 4.1Å; P137-Y215 HydrophobicContact CB-CE1 4.07Å; P137-Y215 HydrophobicContact CB-CE2 4.27Å; P137-Y215 HydrophobicContact CB-CG 3.9Å; P137-Y215 HydrophobicContact CG-CD1 4.42Å; P137-Y215 HydrophobicContact CG-CD2 4.48Å; P137-Y215 HydrophobicContact CG-CG 4.12Å
138V77.2Confident72.1Confident125 Ų12576.3 Ų76.376%0.75842%0.42SS*.  trans-69.599171.2179.90000107.4K136 K140K136-V138 PolarHBondContact O-N 3.25Å; V138-K140 PolarHBondContact O-N 2.87Å
139V72.4Confident72Confident23 Ų2381.2 Ų81.214%0.13944%0.443CS..  trans-69.3105.2168.9-171.90000106.2P137 S141 F148 F161 L169 Y212P137-V139 PolarHBondContact O-N 3.41Å; V139-S141 PolarHBondContact O-N 3.3Å; V139-F148 HydrophobicContact CG1-CE2 4.46Å; V139-F148 HydrophobicContact CG1-CZ 4.25Å; V139-F161 HydrophobicContact CG1-CZ 4.31Å; V139-F161 HydrophobicContact CG2-CE1 3.75Å; V139-F161 HydrophobicContact CG2-CZ 3.86Å; V139-L169 HydrophobicContact CG1-CB 4.15Å; V139-L169 HydrophobicContact CG1-CD1 3.98Å; V139-Y212 HydrophobicContact CB-CE1 4.48Å; V139-Y212 HydrophobicContact CG2-CE1 3.83Å
140K57.9Low72Confident181 Ų18185 Ų8579%0.78747%0.468SS*.  trans-68.479.2170.7-65.9-178.1-178.1177.80107.8V138 M142V138-K140 PolarHBondContact O-N 2.87Å; K140-M142 PolarHBondContact O-N 3.23Å
141S53.7Low72.2Confident34 Ų3486.4 Ų86.424%0.23847%0.473CS..  trans-66.6129-178.754.40000109.8V139 Q143 D167V139-S141 PolarHBondContact O-N 3.3Å; S141-Q143 PolarHBondContact O-N 3.28Å; S141-D167 WeakPolarHBondContact CB-O 3.06Å; S141-D167 PolarHBondContact OG-O 2.92Å
142M50Low72.3Confident118 Ų11895.3 Ų95.358%0.58151%0.507SS*.SBendtrans46.4-3.8165.9-58.7-153.4-150.300121.3K140 G144 G145K140-M142 PolarHBondContact O-N 3.23Å; M142-G144 PolarHBondContact O-N 3.43Å; M142-G145 PolarHBondContact O-N 3.38Å
143Q42.7Very low72.6Confident197 Ų197101.1 Ų101.192%0.92153%0.53SS*.THydrogen-bonded Turntrans-69.70.3-179.2-70.2-176.9-0.300114S141S141-Q143 PolarHBondContact O-N 3.28Å
144G46Very low73Confident73 Ų7397.1 Ų97.175%0.75350%0.504SS*.THydrogen-bonded Turntrans-133.916.7177.400000115.5M142 K146M142-G144 PolarHBondContact O-N 3.43Å; G144-K146 VanDerWaalsContact C-N 3.26Å; G144-K146 PolarHBondContact O-N 2.96Å; G144-K146 VanDerWaalsContact O-N 3.13Å
145G48.7Very low73.7Confident69 Ų69100 Ų10071%0.71151%0.505SS*.  trans73.9-2.2172.900000117.2M142 K147M142-G145 PolarHBondContact O-N 3.38Å; G145-K147 PolarHBondContact O-N 3.42Å; G145-K147 VanDerWaalsContact O-N 3.17Å
146K60Low74.5Confident179 Ų179101.6 Ų101.678%0.77852%0.515SS*.  trans-75.3104.7175.7-161.6173.6-175.4179.70109.9G144G144-K146 VanDerWaalsContact C-N 3.26Å; G144-K146 PolarHBondContact O-N 2.96Å; G144-K146 VanDerWaalsContact O-N 3.13Å
147K73.2Confident75Confident187 Ų187100.3 Ų100.381%0.81352%0.519SS*.PPolyproline II helixtrans-75.4131.7170.8-69.5-176.2178.71800109.1G145G145-K147 PolarHBondContact O-N 3.42Å; G145-K147 VanDerWaalsContact O-N 3.17Å
148F83Confident75.5Confident48 Ų48100 Ų10021%0.21152%0.518CS..PPolyproline II helixtrans-74144.6168.4-65-86.4000109.5V139 F161 L169 L206 P209V139-F148 HydrophobicContact CG1-CE2 4.46Å; V139-F148 HydrophobicContact CG1-CZ 4.25Å; F148-F161 HydrophobicContact CD1-CD2 4.21Å; F148-F161 HydrophobicContact CD1-CE2 4.22Å; F148-F161 HydrophobicContact CE1-CD2 4.24Å; F148-F161 AromaticContact CE1-CE2 3.8Å; F148-F161 HydrophobicContact CE1-CE2 3.8Å; F148-F161 HydrophobicContact CZ-CE2 4.19Å; F148-L169 HydrophobicContact CD2-CD1 3.46Å; F148-L169 VanDerWaalsContact CD2-CD1 3.46Å; F148-L169 HydrophobicContact CE2-CD1 3.31Å; F148-L169 HydrophobicContact CG-CD1 4.4Å; F148-L169 HydrophobicContact CZ-CD1 4.16Å; F148-L206 HydrophobicContact CB-CB 4.05Å; F148-L206 HydrophobicContact CB-CD1 4.1Å; F148-L206 HydrophobicContact CB-CG 4.46Å; F148-P209 HydrophobicContact CD1-CG 3.87Å; F148-P209 HydrophobicContact CE1-CG 3.59Å
149E89.1Confident76.3Confident106 Ų10694.4 Ų94.450%0.49548%0.483SS..PPolyproline II helixtrans-75144.9178.7-64.6177.6167.400110.8L206 R207E149-L206 CarbonylContact O-C 3.41Å; E149-L206 VanDerWaalsContact O-CA 3.29Å; E149-L206 WeakPolarHBondContact O-CA 3.45Å; E149-R207 HydrophobicContact CB-CB 4.41Å; E149-R207 PolarHBondContact O-N 3.26Å; E149-R207 IonicContact OE2-NH1 3.51Å; E149-R207 PolarHBondContact OE2-NH1 2.81Å
150P92.2Very high77.4Confident81 Ų8193.3 Ų93.353%0.52648%0.477SS..BIsolated β-bridgetrans-59.4143.5171.5-2333.6000112.6R152P150-R152 PolarHBondContact O-N 2.86Å; P150-R152 VanDerWaalsContact O-N 3.11Å
151E93.7Very high79.2Confident44 Ų4484.7 Ų84.721%0.20644%0.439CS..  trans-7598.1169.7178.448.8-102.400109.6K153 P154 C160 L205E151-K153 VanDerWaalsContact OE1-C 3.26Å; E151-K153 PolarHBondContact OE1-N 2.94Å; E151-P154 HydrophobicContact CG-CB 4.16Å; E151-C160 HydrophobicContact CG-CB 4.4Å; E151-L205 HydrophobicContact CB-CB 3.85Å; E151-L205 HydrophobicContact CG-CB 4.5Å; E151-L205 PolarHBondContact N-O 3.48Å
152R89.4Confident81.1Confident193 Ų19383 Ų8373%0.72843%0.428SS*.SBendtrans-76.5-26.2-173.8-64.7-177.2-179.8160.80.1113.4P150P150-R152 PolarHBondContact O-N 2.86Å; P150-R152 VanDerWaalsContact O-N 3.11Å
153K91.4Very high83Confident164 Ų16480 Ų8071%0.71341%0.412SS*.SBendtrans-132.765.3-175.4-68.8-176.7-179.6175.30110.1E151 R155E151-K153 VanDerWaalsContact OE1-C 3.26Å; E151-K153 PolarHBondContact OE1-N 2.94Å; K153-R155 PolarHBondContact O-N 3.17Å
154P93.1Very high85Confident21 Ų2173.4 Ų73.414%0.13638%0.383CS..  trans-58.8132.1177.227.2-36.3000110.1E151 I174 L177 V202 L205E151-P154 HydrophobicContact CG-CB 4.16Å; P154-I174 HydrophobicContact CB-CD1 3.57Å; P154-L177 HydrophobicContact CB-CD1 4.47Å; P154-L177 HydrophobicContact CB-CD2 4.16Å; P154-L177 HydrophobicContact CG-CD2 4.37Å; P154-L177 WeakPolarHBondContact O-CD1 3.4Å; P154-V202 HydrophobicContact CG-CG1 3.76Å; P154-V202 HydrophobicContact CG-CG2 4.14Å; P154-L205 HydrophobicContact CB-CD1 4.24Å
155R93.6Very high86.6Confident151 Ų15172.3 Ų72.357%0.5736%0.364SS*.  trans-126141.8179.264.3-178.6-178.8160.51110.1K153 G157 G158 I174K153-R155 PolarHBondContact O-N 3.17Å; R155-G157 PolarHBondContact O-N 3.3Å; R155-G158 WeakPolarHBondContact O-CA 3.23Å; R155-G158 PolarHBondContact O-N 2.81Å; R155-I174 WeakPolarHBondContact O-CB 3.44Å
156V92.6Very high87.8Confident67 Ų6774.1 Ų74.141%0.40636%0.361SS..THydrogen-bonded Turntrans-59.3133170.9176.70000109.1G158 L175 L177V156-G158 VanDerWaalsContact C-N 3.27Å; V156-G158 PolarHBondContact O-N 3.45Å; V156-L175 VanDerWaalsContact CG1-O 3.31Å; V156-L175 WeakPolarHBondContact CG1-O 3.49Å; V156-L177 HydrophobicContact CG2-CD1 4.35Å; V156-L177 HydrophobicContact CG2-CG 4.31Å
157G91.3Very high88.4Confident35 Ų3570.7 Ų70.736%0.36135%0.352SS..THydrogen-bonded Turntrans81.6-6.7-170.600000114.9R155 I174R155-G157 PolarHBondContact O-N 3.3Å; G157-I174 PolarHBondContact N-O 2.85Å
158G93.4Very high88.6Confident5 Ų566.1 Ų66.15%0.05234%0.336CS..  trans-76153.2176.400000113R155 V156 K173 I174R155-G158 WeakPolarHBondContact O-CA 3.23Å; R155-G158 PolarHBondContact O-N 2.81Å; V156-G158 VanDerWaalsContact C-N 3.27Å; V156-G158 PolarHBondContact O-N 3.45Å; G158-K173 WeakPolarHBondContact O-CA 3.28Å; G158-I174 PolarHBondContact O-N 3.16Å
159H95Very high89Confident6 Ų664.3 Ų64.33%0.02833%0.329CS..EExtended strand (participates in β ladder)trans-107136.9175.8-62.284.7000111.1I98 E99 V172 L208 Y213I98-H159 HydrophobicContact CD1-CB 4.02Å; E99-H159 IonicContact OE1-CE1 3.88Å; E99-H159 PolarHBondContact OE1-CE1 2.76Å; E99-H159 IonicContact OE1-NE2 3.33Å; E99-H159 PolarHBondContact OE1-NE2 3.35Å; H159-V172 VanDerWaalsContact CA-O 3.28Å; H159-V172 WeakPolarHBondContact CA-O 3.36Å; H159-L208 HydrophobicContact CB-CD2 3.9Å; H159-Y213 HydrophobicContact CB-CE1 3.79Å; H159-Y213 PolarHBondContact O-OH 2.83Å; H159-Y213 VanDerWaalsContact O-OH 3.11Å
160C95.2Very high89.1Confident0 Ų060 Ų600%031%0.308CS..EExtended strand (participates in β ladder)trans-148.4173.5179.553.80000109.7E151 V172 L206E151-C160 HydrophobicContact CG-CB 4.4Å; C160-V172 PolarHBondContact N-O 2.83Å; C160-V172 PolarHBondContact O-N 2.82Å; C160-V172 WeakPolarHBondContact SG-CG2 3.33Å; C160-L206 VanDerWaalsContact CB-O 3.28Å; C160-L206 WeakPolarHBondContact CB-O 3.39Å
161F95.1Very high89.2Confident0 Ų056.2 Ų56.20%028%0.284CS..EExtended strand (participates in β ladder)trans-86.5144.6159.6-79.4-54.1000109.7V139 F148 L169 E170 R171 L205 L206 L208 P209 Y212V139-F161 HydrophobicContact CG1-CZ 4.31Å; V139-F161 HydrophobicContact CG2-CE1 3.75Å; V139-F161 HydrophobicContact CG2-CZ 3.86Å; F148-F161 HydrophobicContact CD1-CD2 4.21Å; F148-F161 HydrophobicContact CD1-CE2 4.22Å; F148-F161 HydrophobicContact CE1-CD2 4.24Å; F148-F161 AromaticContact CE1-CE2 3.8Å; F148-F161 HydrophobicContact CE1-CE2 3.8Å; F148-F161 HydrophobicContact CZ-CE2 4.19Å; F161-L169 HydrophobicContact CD1-CB 4.1Å; F161-L169 HydrophobicContact CG-CB 4.35Å; F161-E170 CarbonylContact C-O 3.37Å; F161-E170 VanDerWaalsContact CA-O 3.28Å; F161-E170 WeakPolarHBondContact CA-O 3.13Å; F161-R171 HydrophobicContact CD1-CG 4.03Å; F161-R171 HydrophobicContact CE1-CG 3.54Å; F161-R171 HydrophobicContact CZ-CG 4.44Å; F161-L205 CarbonylContact O-C 3.6Å; F161-L205 WeakPolarHBondContact O-CA 3.5Å; F161-L206 HydrophobicContact CB-CB 4.07Å; F161-L206 PolarHBondContact N-O 2.84Å; F161-L206 PolarHBondContact O-N 2.82Å; F161-L208 HydrophobicContact CD1-CD1 3.91Å; F161-L208 HydrophobicContact CD2-CD1 3.78Å; F161-L208 HydrophobicContact CE1-CD1 3.71Å; F161-L208 HydrophobicContact CE2-CD1 3.58Å; F161-L208 HydrophobicContact CG-CD1 3.94Å; F161-L208 HydrophobicContact CZ-CD1 3.53Å; F161-P209 VanDerWaalsContact CE2-CD 3.46Å; F161-P209 HydrophobicContact CE2-CG 4.3Å; F161-Y212 HydrophobicContact CE1-CD1 4.41Å; F161-Y212 HydrophobicContact CE2-CD2 4.02Å; F161-Y212 HydrophobicContact CE2-CE2 4.16Å; F161-Y212 HydrophobicContact CE2-CG 4.24Å; F161-Y212 AromaticContact CZ-CD1 3.67Å; F161-Y212 HydrophobicContact CZ-CD1 3.67Å; F161-Y212 AromaticContact CZ-CD2 3.86Å; F161-Y212 HydrophobicContact CZ-CD2 3.86Å; F161-Y212 AromaticContact CZ-CE1 3.84Å; F161-Y212 HydrophobicContact CZ-CE1 3.84Å; F161-Y212 HydrophobicContact CZ-CE2 4.04Å; F161-Y212 AromaticContact CZ-CG 3.66Å; F161-Y212 HydrophobicContact CZ-CG 3.66Å
162A93.8Very high89.2Confident0 Ų054.2 Ų54.20%027%0.274CS..EExtended strand (participates in β ladder)trans-111.4127.8163.600000109.5L164 E170 V172 V200 L205A162-L164 HydrophobicContact CB-CD2 3.94Å; A162-L164 HydrophobicContact CB-CG 4.18Å; A162-L164 PolarHBondContact O-N 2.78Å; A162-E170 PolarHBondContact N-O 3.11Å; A162-E170 PolarHBondContact O-N 3.35Å; A162-V172 HydrophobicContact CB-CB 4.49Å; A162-V172 HydrophobicContact CB-CG1 3.63Å; A162-V172 HydrophobicContact CB-CG2 3.99Å; A162-V200 HydrophobicContact CB-CG1 4.47Å; A162-L205 HydrophobicContact CB-CD2 4.06Å
163Q91.3Very high89.5Confident54 Ų5446.7 Ų46.725%0.25225%0.247SC..EExtended strand (participates in β ladder)trans-86.597.4170.8-171.3173.513.300109.5S165 L169 L204 L206Q163-S165 VanDerWaalsContact CG-O 3.31Å; Q163-S165 WeakPolarHBondContact CG-O 3.49Å; Q163-L169 HydrophobicContact CB-CD2 3.7Å; Q163-L169 HydrophobicContact CG-CD2 3.94Å; Q163-L204 PolarHBondContact N-O 3.2Å; Q163-L206 HydrophobicContact CB-CD1 4.28Å
164L83.6Confident89.6Confident59 Ų5939 Ų3931%0.30921%0.213SC..  trans-94.2-24.2-174.7-58.2176.7000113A162 N168 E170 R191 E198 V200A162-L164 HydrophobicContact CB-CD2 3.94Å; A162-L164 HydrophobicContact CB-CG 4.18Å; A162-L164 PolarHBondContact O-N 2.78Å; L164-N168 PolarHBondContact N-O 3.39Å; L164-E170 HydrophobicContact CD1-CB 3.99Å; L164-E170 HydrophobicContact CD1-CG 3.54Å; L164-E170 HydrophobicContact CG-CG 4.33Å; L164-R191 VanDerWaalsContact CD1-CD 3.49Å; L164-R191 HydrophobicContact CD1-CG 4.46Å; L164-E198 WeakPolarHBondContact CD1-OE1 3.34Å; L164-V200 HydrophobicContact CD2-CG2 3.57Å
165S80.4Confident89.6Confident50 Ų5040 Ų4035%0.3522%0.217SC..SBendtrans-140.2175.9171.471.10000109.9Q163 D167 N168Q163-S165 VanDerWaalsContact CG-O 3.31Å; Q163-S165 WeakPolarHBondContact CG-O 3.49Å; S165-D167 PolarHBondContact O-N 2.78Å; S165-N168 VanDerWaalsContact OG-CB 3.3Å; S165-N168 WeakPolarHBondContact OG-CB 3.15Å; S165-N168 PolarHBondContact OG-N 2.98Å
166T73Confident89.5Confident107 Ų10734.6 Ų34.666%0.65620%0.203SC*.SBendtrans-53.7-37.7178.742.20000112.6
167D71.9Confident89.4Confident107 Ų10734.1 Ų34.157%0.57220%0.198SC*.SBendtrans-115-9.8-167.5-55.4-63000114.1S141 S165S141-D167 WeakPolarHBondContact CB-O 3.06Å; S141-D167 PolarHBondContact OG-O 2.92Å; S165-D167 PolarHBondContact O-N 2.78Å
168N79.3Confident89.4Confident91 Ų9136.2 Ų36.249%0.48720%0.197SC..  trans-112.9121.7-174.9-62.5-18.6000112.5L164 S165L164-N168 PolarHBondContact N-O 3.39Å; S165-N168 VanDerWaalsContact OG-CB 3.3Å; S165-N168 WeakPolarHBondContact OG-CB 3.15Å; S165-N168 PolarHBondContact OG-N 2.98Å
169L89.8Confident89.2Confident10 Ų1039.7 Ų39.75%0.05221%0.214CC..EExtended strand (participates in β ladder)trans-104.1127.1166.2-64.4179.2000108.7V139 F148 F161 Q163 L206V139-L169 HydrophobicContact CG1-CB 4.15Å; V139-L169 HydrophobicContact CG1-CD1 3.98Å; F148-L169 HydrophobicContact CD2-CD1 3.46Å; F148-L169 VanDerWaalsContact CD2-CD1 3.46Å; F148-L169 HydrophobicContact CE2-CD1 3.31Å; F148-L169 HydrophobicContact CG-CD1 4.4Å; F148-L169 HydrophobicContact CZ-CD1 4.16Å; F161-L169 HydrophobicContact CD1-CB 4.1Å; F161-L169 HydrophobicContact CG-CB 4.35Å; Q163-L169 HydrophobicContact CB-CD2 3.7Å; Q163-L169 HydrophobicContact CG-CD2 3.94Å; L169-L206 HydrophobicContact CD2-CD1 3.64Å
170E91.5Very high88.6Confident15 Ų1540 Ų407%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-112.2135.9179.7-64.9-59152.800110.3K136 F161 A162 L164 V172 R191K136-E170 WeakPolarHBondContact CE-OE2 3.38Å; K136-E170 IonicContact NZ-OE1 3.31Å; K136-E170 PolarHBondContact NZ-OE1 2.76Å; K136-E170 IonicContact NZ-OE2 3.77Å; K136-E170 PolarHBondContact NZ-OE2 3.32Å; F161-E170 CarbonylContact C-O 3.37Å; F161-E170 VanDerWaalsContact CA-O 3.28Å; F161-E170 WeakPolarHBondContact CA-O 3.13Å; A162-E170 PolarHBondContact N-O 3.11Å; A162-E170 PolarHBondContact O-N 3.35Å; L164-E170 HydrophobicContact CD1-CB 3.99Å; L164-E170 HydrophobicContact CD1-CG 3.54Å; L164-E170 HydrophobicContact CG-CG 4.33Å; E170-V172 HydrophobicContact CB-CG1 4.28Å; E170-V172 PolarHBondContact O-N 2.79Å; E170-R191 HydrophobicContact CB-CG 4.49Å
171R94.1Very high88Confident2 Ų247.9 Ų47.91%0.00825%0.25CS..EExtended strand (participates in β ladder)trans-71.8129.5170.4-62.7-169.9-59.7163-0.9108.6F161 I192 D193 L208 Y212 Y215 P216F161-R171 HydrophobicContact CD1-CG 4.03Å; F161-R171 HydrophobicContact CE1-CG 3.54Å; F161-R171 HydrophobicContact CZ-CG 4.44Å; R171-I192 HydrophobicContact CB-CD1 3.74Å; R171-I192 HydrophobicContact CB-CG1 3.74Å; R171-I192 PolarHBondContact O-N 2.85Å; R171-I192 VanDerWaalsContact O-N 3.12Å; R171-D193 IonicContact CZ-OD1 2.78Å; R171-D193 IonicContact CZ-OD2 3.07Å; R171-D193 IonicContact NE-OD1 3.83Å; R171-D193 IonicContact NE-OD2 3.94Å; R171-D193 PolarHBondContact NE-OD2 2.88Å; R171-D193 IonicContact NH2-OD1 3.46Å; R171-D193 PolarHBondContact NH2-OD1 2.86Å; R171-D193 IonicContact NH2-OD2 2.79Å; R171-D193 PolarHBondContact NH2-OD2 2.8Å; R171-L208 HydrophobicContact CG-CD1 4.13Å; R171-Y212 PolarHBondContact NH1-O 3.36Å; R171-Y215 PolarHBondContact NH1-O 2.79Å; R171-P216 PolarHBondContact NH2-O 3.41Å
172V94.9Very high87.5Confident1 Ų155.3 Ų55.31%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-135.4150.2-177.1-51.60000113.1H159 C160 A162 E170 V189 L190 R191 L205H159-V172 VanDerWaalsContact CA-O 3.28Å; H159-V172 WeakPolarHBondContact CA-O 3.36Å; C160-V172 PolarHBondContact N-O 2.83Å; C160-V172 PolarHBondContact O-N 2.82Å; C160-V172 WeakPolarHBondContact SG-CG2 3.33Å; A162-V172 HydrophobicContact CB-CB 4.49Å; A162-V172 HydrophobicContact CB-CG1 3.63Å; A162-V172 HydrophobicContact CB-CG2 3.99Å; E170-V172 HydrophobicContact CB-CG1 4.28Å; E170-V172 PolarHBondContact O-N 2.79Å; V172-V189 HydrophobicContact CB-CB 3.91Å; V172-V189 HydrophobicContact CB-CG2 4.27Å; V172-V189 HydrophobicContact CG1-CB 4.36Å; V172-V189 HydrophobicContact CG1-CG2 4.16Å; V172-V189 HydrophobicContact CG2-CB 3.98Å; V172-V189 HydrophobicContact CG2-CG1 4.03Å; V172-V189 HydrophobicContact CG2-CG2 4.46Å; V172-L190 CarbonylContact C-O 3.57Å; V172-L190 WeakPolarHBondContact CA-O 3.48Å; V172-L190 WeakPolarHBondContact CB-O 3.31Å; V172-R191 HydrophobicContact CG1-CG 4.04Å; V172-L205 HydrophobicContact CG2-CD2 4.4Å
173K94.7Very high87.2Confident35 Ų3558.1 Ų58.115%0.15231%0.312CS..EExtended strand (participates in β ladder)trans-106.4130.6168.4-178.5175.7-179172.50109.6E99 G158 L175 V189 L190 I192E99-K173 WeakPolarHBondContact OE1-CE 3.43Å; E99-K173 IonicContact OE1-NZ 3.92Å; E99-K173 PolarHBondContact OE1-NZ 3.46Å; E99-K173 IonicContact OE2-NZ 2.87Å; E99-K173 PolarHBondContact OE2-NZ 3.48Å; G158-K173 WeakPolarHBondContact O-CA 3.28Å; K173-L175 PolarHBondContact O-N 3.35Å; K173-V189 CarbonylContact O-C 3.54Å; K173-V189 WeakPolarHBondContact O-CA 3.48Å; K173-L190 HydrophobicContact CB-CB 4.47Å; K173-L190 PolarHBondContact N-O 3.45Å; K173-L190 PolarHBondContact O-N 2.92Å; K173-I192 HydrophobicContact CB-CG2 3.9Å
174I94.9Very high87Confident3 Ų359.2 Ų59.22%0.01532%0.319CS..EExtended strand (participates in β ladder)trans-79.1115.9179.5-60174.5000109.1P154 R155 G157 G158 L177 A187 V189 L205P154-I174 HydrophobicContact CB-CD1 3.57Å; R155-I174 WeakPolarHBondContact O-CB 3.44Å; G157-I174 PolarHBondContact N-O 2.85Å; G158-I174 PolarHBondContact O-N 3.16Å; I174-L177 HydrophobicContact CG2-CD2 3.96Å; I174-L177 HydrophobicContact CG2-CG 3.99Å; I174-A187 HydrophobicContact CG2-CB 4.25Å; I174-V189 HydrophobicContact CG1-CG1 4.45Å; I174-L205 HydrophobicContact CD1-CD1 4.04Å
175L91.5Very high87.4Confident42 Ų4262.3 Ų62.322%0.2233%0.326CS..EExtended strand (participates in β ladder)trans-89.4-38.3179-56.5-176.8000112.4V156 K173 K188 L190 V197V156-L175 VanDerWaalsContact CG1-O 3.31Å; V156-L175 WeakPolarHBondContact CG1-O 3.49Å; K173-L175 PolarHBondContact O-N 3.35Å; L175-K188 HydrophobicContact CB-CB 4.46Å; L175-K188 HydrophobicContact CB-CG 4.49Å; L175-K188 WeakPolarHBondContact CB-O 3.17Å; L175-K188 PolarHBondContact N-O 2.98Å; L175-L190 HydrophobicContact CD1-CB 4.07Å; L175-L190 HydrophobicContact CD2-CB 4.05Å; L175-L190 HydrophobicContact CG-CB 4.1Å; L175-V197 HydrophobicContact CD1-CG1 3.92Å; L175-V197 HydrophobicContact CD1-CG2 4.19Å
176S92Very high88Confident38 Ų3860.8 Ų60.827%0.26631%0.313SS..EExtended strand (participates in β ladder)trans-155.7159176.369.80000111.4A187 K188 W199S176-A187 CarbonylContact O-C 3.53Å; S176-A187 VanDerWaalsContact O-CA 3.31Å; S176-A187 WeakPolarHBondContact O-CA 3.34Å; S176-K188 PolarHBondContact N-O 2.86Å; S176-K188 PolarHBondContact O-N 3.49Å; S176-K188 WeakPolarHBondContact OG-CB 3.33Å; S176-W199 WeakPolarHBondContact OG-CH2 3.33Å
177L91.9Very high88.9Confident56 Ų5655.7 Ų55.729%0.29328%0.282SS..EExtended strand (participates in β ladder)trans-122.1137.8176-67.9167.2000108.9P154 V156 I174 F186 A187 V202P154-L177 HydrophobicContact CB-CD1 4.47Å; P154-L177 HydrophobicContact CB-CD2 4.16Å; P154-L177 HydrophobicContact CG-CD2 4.37Å; P154-L177 WeakPolarHBondContact O-CD1 3.4Å; V156-L177 HydrophobicContact CG2-CD1 4.35Å; V156-L177 HydrophobicContact CG2-CG 4.31Å; I174-L177 HydrophobicContact CG2-CD2 3.96Å; I174-L177 HydrophobicContact CG2-CG 3.99Å; L177-F186 WeakPolarHBondContact CA-O 3.46Å; L177-A187 HydrophobicContact CD2-CB 3.72Å; L177-V202 HydrophobicContact CD2-CG2 4.12Å
178K89.4Confident90Very high80 Ų8052.1 Ų52.135%0.34826%0.262SS..EExtended strand (participates in β ladder)trans-149.7135.3-179.2-160178.9-161.7-1760111.1F186 W199 F328K178-F186 PolarHBondContact N-O 3.47Å; K178-F186 PolarHBondContact O-N 2.75Å; K178-W199 HydrophobicContact CB-CH2 3.68Å; K178-W199 HydrophobicContact CB-CZ3 3.66Å; K178-W199 HydrophobicContact CD-CH2 4.14Å; K178-F328 HydrophobicContact CD-CE2 3.73Å; K178-F328 HydrophobicContact CD-CZ 3.85Å; K178-F328 HydrophobicContact CG-CE2 4.44Å
179D89.2Confident90.7Very high77 Ų7747.8 Ų47.841%0.41224%0.238SC..EExtended strand (participates in β ladder)trans-88.6138.5172-59.9-25.7000109.4R185D179-R185 WeakPolarHBondContact OD1-CA 3.46Å; D179-R185 WeakPolarHBondContact OD1-CB 3.31Å; D179-R185 WeakPolarHBondContact OD1-CG 3.05Å; D179-R185 IonicContact OD1-CZ 3.77Å; D179-R185 IonicContact OD1-NE 2.73Å; D179-R185 PolarHBondContact OD1-NE 3.22Å; D179-R185 IonicContact OD1-NH2 3.78Å; D179-R185 IonicContact OD2-NE 2.83Å; D179-R185 IonicContact OD2-NH2 3.6Å; D179-R185 PolarHBondContact OD2-NH2 3.24Å
180N83.8Confident90.8Very high12 Ų1247.9 Ų47.96%0.06424%0.239CC..  trans-82.1173.717079.9-10.4000111K182 G183 I184 F186 D327N180-K182 PolarHBondContact O-N 3.29Å; N180-K182 WeakPolarHBondContact OD1-CA 3.45Å; N180-K182 PolarHBondContact OD1-N 3.49Å; N180-G183 PolarHBondContact O-N 2.93Å; N180-G183 PolarHBondContact OD1-N 3.05Å; N180-G183 VanDerWaalsContact OD1-N 3.16Å; N180-I184 PolarHBondContact N-O 3.5Å; N180-I184 WeakPolarHBondContact OD1-CA 3.4Å; N180-I184 WeakPolarHBondContact OD1-CB 3.34Å; N180-I184 PolarHBondContact OD1-N 3.33Å; N180-I184 PolarHBondContact OD1-O 2.91Å; N180-F186 HydrophobicContact CB-CD2 4.29Å; N180-F186 HydrophobicContact CB-CE2 3.99Å; N180-D327 PolarHBondContact ND2-OD2 3.2Å
181K82.7Confident90.8Very high167 Ų16749.1 Ų49.173%0.72624%0.243SC*.THydrogen-bonded Turntrans-59.5-18.5178.8-65.9179.8-179171.60113.8
182K84.6Confident90.6Very high155 Ų15549.1 Ų49.167%0.67424%0.243SC*.THydrogen-bonded Turntrans-95.66.8179.6-60.3176.1-178.6161.90112.9N180 I184 D327N180-K182 PolarHBondContact O-N 3.29Å; N180-K182 WeakPolarHBondContact OD1-CA 3.45Å; N180-K182 PolarHBondContact OD1-N 3.49Å; K182-I184 VanDerWaalsContact C-N 3.26Å; K182-I184 HydrophobicContact CB-CG1 4.47Å; K182-I184 PolarHBondContact O-N 2.91Å; K182-D327 IonicContact NZ-OD1 2.6Å
183G86.2Confident90.4Very high60 Ų6049.3 Ų49.362%0.61924%0.244SC*.SBendtrans767.1-178.300000114.8N180N180-G183 PolarHBondContact O-N 2.93Å; N180-G183 PolarHBondContact OD1-N 3.05Å; N180-G183 VanDerWaalsContact OD1-N 3.16Å
184I87.7Confident90Very high77 Ų7749.7 Ų49.740%0.39525%0.248SC..  trans-79.4123174-55.9174.2000108.1N180 K182 F186N180-I184 PolarHBondContact N-O 3.5Å; N180-I184 WeakPolarHBondContact OD1-CA 3.4Å; N180-I184 WeakPolarHBondContact OD1-CB 3.34Å; N180-I184 PolarHBondContact OD1-N 3.33Å; N180-I184 PolarHBondContact OD1-O 2.91Å; K182-I184 VanDerWaalsContact C-N 3.26Å; K182-I184 HydrophobicContact CB-CG1 4.47Å; K182-I184 PolarHBondContact O-N 2.91Å; I184-F186 HydrophobicContact CB-CE2 3.9Å; I184-F186 HydrophobicContact CG2-CD2 4.17Å; I184-F186 HydrophobicContact CG2-CE2 3.6Å; I184-F186 HydrophobicContact CG2-CZ 4.04Å; I184-F186 WeakPolarHBondContact O-CD2 3.3Å
185R91.7Very high89.6Confident123 Ų12350 Ų5046%0.46425%0.252SS..EExtended strand (participates in β ladder)trans-81.6131.7175.5-168.8168.5-72.4173.1-1.3111.5D179 V202D179-R185 WeakPolarHBondContact OD1-CA 3.46Å; D179-R185 WeakPolarHBondContact OD1-CB 3.31Å; D179-R185 WeakPolarHBondContact OD1-CG 3.05Å; D179-R185 IonicContact OD1-CZ 3.77Å; D179-R185 IonicContact OD1-NE 2.73Å; D179-R185 PolarHBondContact OD1-NE 3.22Å; D179-R185 IonicContact OD1-NH2 3.78Å; D179-R185 IonicContact OD2-NE 2.83Å; D179-R185 IonicContact OD2-NH2 3.6Å; D179-R185 PolarHBondContact OD2-NH2 3.24Å; R185-V202 HydrophobicContact CB-CB 4.28Å; R185-V202 HydrophobicContact CB-CG2 4.01Å; R185-V202 HydrophobicContact CG-CB 4.39Å; R185-V202 HydrophobicContact CG-CG2 3.61Å; R185-V202 PolarHBondContact O-N 3.33Å
186F92.8Very high89.5Confident18 Ų1852.8 Ų52.88%0.07926%0.262CS..EExtended strand (participates in β ladder)trans-117.5148.2173.1-68.3-101.1000110.3L177 K178 N180 I184 W199 V200 P201L177-F186 WeakPolarHBondContact CA-O 3.46Å; K178-F186 PolarHBondContact N-O 3.47Å; K178-F186 PolarHBondContact O-N 2.75Å; N180-F186 HydrophobicContact CB-CD2 4.29Å; N180-F186 HydrophobicContact CB-CE2 3.99Å; I184-F186 HydrophobicContact CB-CE2 3.9Å; I184-F186 HydrophobicContact CG2-CD2 4.17Å; I184-F186 HydrophobicContact CG2-CE2 3.6Å; I184-F186 HydrophobicContact CG2-CZ 4.04Å; I184-F186 WeakPolarHBondContact O-CD2 3.3Å; F186-W199 HydrophobicContact CB-CE3 3.68Å; F186-W199 HydrophobicContact CB-CZ3 4.13Å; F186-V200 WeakPolarHBondContact CA-O 3.39Å; F186-P201 HydrophobicContact CD1-CB 4.4Å; F186-P201 HydrophobicContact CD1-CG 4.08Å; F186-P201 HydrophobicContact CE1-CB 4.25Å; F186-P201 HydrophobicContact CE1-CG 3.67Å; F186-P201 HydrophobicContact CZ-CG 4.43Å
187A93.6Very high89.3Confident0 Ų051.6 Ų51.60%025%0.253CS..EExtended strand (participates in β ladder)trans-110.2131.9169.500000109.4I174 S176 L177 V189 W199 V200 V202 L205I174-A187 HydrophobicContact CG2-CB 4.25Å; S176-A187 CarbonylContact O-C 3.53Å; S176-A187 VanDerWaalsContact O-CA 3.31Å; S176-A187 WeakPolarHBondContact O-CA 3.34Å; L177-A187 HydrophobicContact CD2-CB 3.72Å; A187-V189 HydrophobicContact CB-CG1 3.72Å; A187-W199 VanDerWaalsContact C-CE3 3.45Å; A187-W199 CarbonylContact O-C 3.52Å; A187-W199 WeakPolarHBondContact O-CA 3.4Å; A187-V200 PolarHBondContact N-O 3.31Å; A187-V200 PolarHBondContact O-N 3.49Å; A187-V202 HydrophobicContact CB-CG2 4.34Å; A187-L205 HydrophobicContact CB-CD1 3.84Å
188K93.8Very high89.2Confident33 Ų3350.3 Ų50.314%0.14325%0.245CC..EExtended strand (participates in β ladder)trans-79.6119.9160.8-168.9176.3179.6178.80106.2L175 S176 V197 W199 S317L175-K188 HydrophobicContact CB-CB 4.46Å; L175-K188 HydrophobicContact CB-CG 4.49Å; L175-K188 WeakPolarHBondContact CB-O 3.17Å; L175-K188 PolarHBondContact N-O 2.98Å; S176-K188 PolarHBondContact N-O 2.86Å; S176-K188 PolarHBondContact O-N 3.49Å; S176-K188 WeakPolarHBondContact OG-CB 3.33Å; K188-V197 HydrophobicContact CD-CG1 4.24Å; K188-V197 HydrophobicContact CG-CG1 3.88Å; K188-W199 HydrophobicContact CB-CD2 3.87Å; K188-W199 HydrophobicContact CB-CE3 3.96Å; K188-W199 HydrophobicContact CB-CH2 3.91Å; K188-W199 HydrophobicContact CB-CZ2 3.8Å; K188-W199 HydrophobicContact CB-CZ3 3.98Å; K188-W199 HydrophobicContact CD-CZ2 4.08Å; K188-W199 HydrophobicContact CG-CD2 4.35Å; K188-W199 HydrophobicContact CG-CZ2 4.26Å; K188-W199 VanDerWaalsContact N-CE3 3.31Å; K188-S317 PolarHBondContact NZ-O 3.48Å
189V93.5Very high89.3Confident0 Ų048.9 Ų48.90%024%0.238CC..EExtended strand (participates in β ladder)trans-121.3142.4-173.4-57.80000110.7V172 K173 I174 A187 V197 E198 V200 L205V172-V189 HydrophobicContact CB-CB 3.91Å; V172-V189 HydrophobicContact CB-CG2 4.27Å; V172-V189 HydrophobicContact CG1-CB 4.36Å; V172-V189 HydrophobicContact CG1-CG2 4.16Å; V172-V189 HydrophobicContact CG2-CB 3.98Å; V172-V189 HydrophobicContact CG2-CG1 4.03Å; V172-V189 HydrophobicContact CG2-CG2 4.46Å; K173-V189 CarbonylContact O-C 3.54Å; K173-V189 WeakPolarHBondContact O-CA 3.48Å; I174-V189 HydrophobicContact CG1-CG1 4.45Å; A187-V189 HydrophobicContact CB-CG1 3.72Å; V189-V197 VanDerWaalsContact O-CA 3.31Å; V189-V197 WeakPolarHBondContact O-CA 3.11Å; V189-E198 HydrophobicContact CG2-CG 4.23Å; V189-E198 WeakPolarHBondContact CG2-O 3.31Å; V189-E198 PolarHBondContact N-O 3.13Å; V189-E198 PolarHBondContact O-N 3.35Å; V189-V200 HydrophobicContact CG2-CB 4.37Å; V189-V200 HydrophobicContact CG2-CG2 3.62Å; V189-L205 HydrophobicContact CG1-CD2 4.3Å
190L91.7Very high89.4Confident12 Ų1245.5 Ų45.56%0.06322%0.22CC..EExtended strand (participates in β ladder)trans-96.8120.1166.2171.666.3000108V172 K173 L175 I192 G195 V197V172-L190 CarbonylContact C-O 3.57Å; V172-L190 WeakPolarHBondContact CA-O 3.48Å; V172-L190 WeakPolarHBondContact CB-O 3.31Å; K173-L190 HydrophobicContact CB-CB 4.47Å; K173-L190 PolarHBondContact N-O 3.45Å; K173-L190 PolarHBondContact O-N 2.92Å; L175-L190 HydrophobicContact CD1-CB 4.07Å; L175-L190 HydrophobicContact CD2-CB 4.05Å; L175-L190 HydrophobicContact CG-CB 4.1Å; L190-I192 HydrophobicContact CG-CG2 4.47Å; L190-I192 PolarHBondContact O-N 3.04Å; L190-G195 WeakPolarHBondContact CD1-O 3.34Å; L190-V197 HydrophobicContact CB-CG2 4.47Å; L190-V197 HydrophobicContact CD1-CG2 3.75Å
191R91.7Very high89.8Confident41 Ų4146.3 Ų46.316%0.15523%0.226CC..EExtended strand (participates in β ladder)trans-73.5104.8167.6-61.5-162.4-54.6-151.920108.6L164 E170 V172 D193 D194 G195 K196 E198L164-R191 VanDerWaalsContact CD1-CD 3.49Å; L164-R191 HydrophobicContact CD1-CG 4.46Å; E170-R191 HydrophobicContact CB-CG 4.49Å; V172-R191 HydrophobicContact CG1-CG 4.04Å; R191-D193 PolarHBondContact O-N 3.23Å; R191-D193 VanDerWaalsContact O-N 3.16Å; R191-D194 WeakPolarHBondContact CB-OD1 3.28Å; R191-D194 IonicContact CZ-OD1 2.78Å; R191-D194 IonicContact CZ-OD2 3.68Å; R191-D194 VanDerWaalsContact NE-CG 3.27Å; R191-D194 IonicContact NE-OD1 3.91Å; R191-D194 PolarHBondContact NE-OD1 3.3Å; R191-D194 IonicContact NE-OD2 3.97Å; R191-D194 PolarHBondContact NE-OD2 3.02Å; R191-D194 VanDerWaalsContact NH2-CG 3.3Å; R191-D194 IonicContact NH2-OD1 2.8Å; R191-D194 PolarHBondContact NH2-OD1 2.97Å; R191-D194 IonicContact NH2-OD2 2.98Å; R191-D194 PolarHBondContact NH2-OD2 2.76Å; R191-D194 PolarHBondContact O-N 3.22Å; R191-G195 WeakPolarHBondContact O-CA 3.39Å; R191-G195 PolarHBondContact O-N 3.02Å; R191-K196 PolarHBondContact N-O 3.42Å; R191-E198 VanDerWaalsContact CD-OE1 3.3Å; R191-E198 WeakPolarHBondContact CD-OE1 3.37Å; R191-E198 IonicContact CZ-OE1 2.84Å; R191-E198 IonicContact NE-OE1 2.68Å; R191-E198 IonicContact NH1-OE1 3.56Å; R191-E198 PolarHBondContact NH1-OE1 2.98Å; R191-E198 IonicContact NH1-OE2 3.34Å
192I90.6Very high90.4Very high1 Ų139.6 Ų39.61%0.00520%0.199CC..THydrogen-bonded Turntrans-67.7-21-168.264.6175.2000112.6I98 R171 K173 L190 R217 T219I98-I192 HydrophobicContact CD1-CD1 3.69Å; I98-I192 HydrophobicContact CG1-CD1 3.41Å; I98-I192 VanDerWaalsContact CG1-CD1 3.41Å; R171-I192 HydrophobicContact CB-CD1 3.74Å; R171-I192 HydrophobicContact CB-CG1 3.74Å; R171-I192 PolarHBondContact O-N 2.85Å; R171-I192 VanDerWaalsContact O-N 3.12Å; K173-I192 HydrophobicContact CB-CG2 3.9Å; L190-I192 HydrophobicContact CG-CG2 4.47Å; L190-I192 PolarHBondContact O-N 3.04Å; I192-R217 HydrophobicContact CB-CB 4.09Å; I192-R217 HydrophobicContact CD1-CB 4.39Å; I192-R217 HydrophobicContact CG1-CB 4.36Å; I192-T219 PolarHBondContact O-OG1 3.13Å
193D90.3Very high90.8Very high6 Ų639.5 Ų39.53%0.03220%0.199CC..THydrogen-bonded Turntrans-93.6-8.4-176.3-64.5-37.7000114.6K136 R171 R191 S218 T219K136-D193 HydrophobicContact CB-CB 4.47Å; K136-D193 HydrophobicContact CD-CB 4Å; K136-D193 HydrophobicContact CG-CB 4.07Å; R171-D193 IonicContact CZ-OD1 2.78Å; R171-D193 IonicContact CZ-OD2 3.07Å; R171-D193 IonicContact NE-OD1 3.83Å; R171-D193 IonicContact NE-OD2 3.94Å; R171-D193 PolarHBondContact NE-OD2 2.88Å; R171-D193 IonicContact NH2-OD1 3.46Å; R171-D193 PolarHBondContact NH2-OD1 2.86Å; R171-D193 IonicContact NH2-OD2 2.79Å; R171-D193 PolarHBondContact NH2-OD2 2.8Å; R191-D193 PolarHBondContact O-N 3.23Å; R191-D193 VanDerWaalsContact O-N 3.16Å; D193-S218 PolarHBondContact OD1-N 3.31Å; D193-S218 PolarHBondContact OD1-OG 3.5Å; D193-T219 VanDerWaalsContact C-CG2 3.4Å; D193-T219 WeakPolarHBondContact O-CG2 3.47Å
194D87.1Confident91.1Very high43 Ų4339.5 Ų39.523%0.2318%0.184CC..THydrogen-bonded Turntrans-141.62.9174.367.426.9000114.9L119 R191 K196L119-D194 WeakPolarHBondContact CD1-O 3.16Å; R191-D194 WeakPolarHBondContact CB-OD1 3.28Å; R191-D194 IonicContact CZ-OD1 2.78Å; R191-D194 IonicContact CZ-OD2 3.68Å; R191-D194 VanDerWaalsContact NE-CG 3.27Å; R191-D194 IonicContact NE-OD1 3.91Å; R191-D194 PolarHBondContact NE-OD1 3.3Å; R191-D194 IonicContact NE-OD2 3.97Å; R191-D194 PolarHBondContact NE-OD2 3.02Å; R191-D194 VanDerWaalsContact NH2-CG 3.3Å; R191-D194 IonicContact NH2-OD1 2.8Å; R191-D194 PolarHBondContact NH2-OD1 2.97Å; R191-D194 IonicContact NH2-OD2 2.98Å; R191-D194 PolarHBondContact NH2-OD2 2.76Å; R191-D194 PolarHBondContact O-N 3.22Å; D194-K196 PolarHBondContact O-N 2.87Å; D194-K196 WeakPolarHBondContact OD1-CB 3.34Å; D194-K196 PolarHBondContact OD1-N 3.37Å
195G86.3Confident91.4Very high10 Ų1035.9 Ų35.910%0.10317%0.165CC..  trans75.3-4.1174.500000115.9L128 L190 R191 V197L128-G195 VanDerWaalsContact CD2-CA 3.48Å; L190-G195 WeakPolarHBondContact CD1-O 3.34Å; R191-G195 WeakPolarHBondContact O-CA 3.39Å; R191-G195 PolarHBondContact O-N 3.02Å; G195-V197 PolarHBondContact O-N 2.97Å
196K88.3Confident91.6Very high100 Ų10031 Ų3144%0.43515%0.149SC..  trans-71.2136.2-176.5-163.7-167.4176.9-1590110.3R191 D194 E198R191-K196 PolarHBondContact N-O 3.42Å; D194-K196 PolarHBondContact O-N 2.87Å; D194-K196 WeakPolarHBondContact OD1-CB 3.34Å; D194-K196 PolarHBondContact OD1-N 3.37Å; K196-E198 IonicContact NZ-OE2 3.93Å; K196-E198 PolarHBondContact NZ-OE2 3Å
197V88.4Confident91.6Very high12 Ų1233.9 Ų33.97%0.07316%0.159CC..EExtended strand (participates in β ladder)trans-106.1126.4173.7179.40000109.6L175 K188 V189 L190 G195 S320L175-V197 HydrophobicContact CD1-CG1 3.92Å; L175-V197 HydrophobicContact CD1-CG2 4.19Å; K188-V197 HydrophobicContact CD-CG1 4.24Å; K188-V197 HydrophobicContact CG-CG1 3.88Å; V189-V197 VanDerWaalsContact O-CA 3.31Å; V189-V197 WeakPolarHBondContact O-CA 3.11Å; L190-V197 HydrophobicContact CB-CG2 4.47Å; L190-V197 HydrophobicContact CD1-CG2 3.75Å; G195-V197 PolarHBondContact O-N 2.97Å; V197-S320 PolarHBondContact O-OG 3.09Å
198E90Very high91.6Very high29 Ų2934.2 Ų34.214%0.13616%0.161CC..EExtended strand (participates in β ladder)trans-148.6167178.666.3-163.3147.400112.7L164 V189 R191 K196 V200L164-E198 WeakPolarHBondContact CD1-OE1 3.34Å; V189-E198 HydrophobicContact CG2-CG 4.23Å; V189-E198 WeakPolarHBondContact CG2-O 3.31Å; V189-E198 PolarHBondContact N-O 3.13Å; V189-E198 PolarHBondContact O-N 3.35Å; R191-E198 VanDerWaalsContact CD-OE1 3.3Å; R191-E198 WeakPolarHBondContact CD-OE1 3.37Å; R191-E198 IonicContact CZ-OE1 2.84Å; R191-E198 IonicContact NE-OE1 2.68Å; R191-E198 IonicContact NH1-OE1 3.56Å; R191-E198 PolarHBondContact NH1-OE1 2.98Å; R191-E198 IonicContact NH1-OE2 3.34Å; K196-E198 IonicContact NZ-OE2 3.93Å; K196-E198 PolarHBondContact NZ-OE2 3Å; E198-V200 HydrophobicContact CG-CG2 4.17Å
199W91.4Very high91.5Very high51 Ų5134.6 Ų34.619%0.19317%0.166CC..EExtended strand (participates in β ladder)trans-97.6132.4174.2-73.981.4000111.3S176 K178 F186 A187 K188 S323 P325S176-W199 WeakPolarHBondContact OG-CH2 3.33Å; K178-W199 HydrophobicContact CB-CH2 3.68Å; K178-W199 HydrophobicContact CB-CZ3 3.66Å; K178-W199 HydrophobicContact CD-CH2 4.14Å; F186-W199 HydrophobicContact CB-CE3 3.68Å; F186-W199 HydrophobicContact CB-CZ3 4.13Å; A187-W199 VanDerWaalsContact C-CE3 3.45Å; A187-W199 CarbonylContact O-C 3.52Å; A187-W199 WeakPolarHBondContact O-CA 3.4Å; K188-W199 HydrophobicContact CB-CD2 3.87Å; K188-W199 HydrophobicContact CB-CE3 3.96Å; K188-W199 HydrophobicContact CB-CH2 3.91Å; K188-W199 HydrophobicContact CB-CZ2 3.8Å; K188-W199 HydrophobicContact CB-CZ3 3.98Å; K188-W199 HydrophobicContact CD-CZ2 4.08Å; K188-W199 HydrophobicContact CG-CD2 4.35Å; K188-W199 HydrophobicContact CG-CZ2 4.26Å; K188-W199 VanDerWaalsContact N-CE3 3.31Å; W199-S323 PolarHBondContact NE1-O 2.77Å; W199-P325 HydrophobicContact CD2-CG 3.73Å; W199-P325 HydrophobicContact CE3-CG 4.05Å; W199-P325 HydrophobicContact CG-CG 4.07Å; W199-P325 HydrophobicContact CZ2-CG 4.26Å; W199-P325 HydrophobicContact CZ3-CG 4.45Å
200V91.5Very high91.3Very high5 Ų536.8 Ų36.83%0.0318%0.178CC..EExtended strand (participates in β ladder)trans-128.8131.9-178.1-178.80000109A162 L164 F186 A187 V189 E198 V202 L204 L205A162-V200 HydrophobicContact CB-CG1 4.47Å; L164-V200 HydrophobicContact CD2-CG2 3.57Å; F186-V200 WeakPolarHBondContact CA-O 3.39Å; A187-V200 PolarHBondContact N-O 3.31Å; A187-V200 PolarHBondContact O-N 3.49Å; V189-V200 HydrophobicContact CG2-CB 4.37Å; V189-V200 HydrophobicContact CG2-CG2 3.62Å; E198-V200 HydrophobicContact CG-CG2 4.17Å; V200-V202 PolarHBondContact O-N 2.97Å; V200-L204 HydrophobicContact CG1-CB 3.75Å; V200-L204 HydrophobicContact CG1-CD1 4.3Å; V200-L205 HydrophobicContact CB-CD2 4.46Å; V200-L205 HydrophobicContact CG1-CD2 4.1Å
201P92.9Very high91.2Very high29 Ų2941.9 Ų41.919%0.18821%0.205CC..EExtended strand (participates in β ladder)trans-54.5133.2168.5-22.530.3000110.6F186 K203 L204F186-P201 HydrophobicContact CD1-CB 4.4Å; F186-P201 HydrophobicContact CD1-CG 4.08Å; F186-P201 HydrophobicContact CE1-CB 4.25Å; F186-P201 HydrophobicContact CE1-CG 3.67Å; F186-P201 HydrophobicContact CZ-CG 4.43Å; P201-K203 HydrophobicContact CB-CD 4.49Å; P201-K203 HydrophobicContact CB-CG 3.78Å; P201-K203 PolarHBondContact O-N 3.48Å; P201-L204 HydrophobicContact CB-CG 4.44Å; P201-L204 HydrophobicContact CG-CD1 4.23Å; P201-L204 PolarHBondContact O-N 2.85Å
202V94.2Very high91.2Very high26 Ų2641.8 Ų41.816%0.15821%0.205CC..G310 helixtrans-55.2-30.4-178.8162.40000112.5P154 L177 R185 A187 V200 L204 L205P154-V202 HydrophobicContact CG-CG1 3.76Å; P154-V202 HydrophobicContact CG-CG2 4.14Å; L177-V202 HydrophobicContact CD2-CG2 4.12Å; R185-V202 HydrophobicContact CB-CB 4.28Å; R185-V202 HydrophobicContact CB-CG2 4.01Å; R185-V202 HydrophobicContact CG-CB 4.39Å; R185-V202 HydrophobicContact CG-CG2 3.61Å; R185-V202 PolarHBondContact O-N 3.33Å; A187-V202 HydrophobicContact CB-CG2 4.34Å; V200-V202 PolarHBondContact O-N 2.97Å; V202-L204 PolarHBondContact O-N 2.85Å; V202-L204 VanDerWaalsContact O-N 3.09Å; V202-L205 HydrophobicContact CG2-CD1 4.22Å; V202-L205 VanDerWaalsContact O-CB 3.32Å; V202-L205 WeakPolarHBondContact O-CB 2.77Å; V202-L205 PolarHBondContact O-N 2.86Å
203K92.3Very high91.3Very high154 Ų15442.5 Ų42.567%0.6721%0.208SC*.G310 helixtrans-60.3-16.1175.265.7173.4-176.1175.70115.3P201P201-K203 HydrophobicContact CB-CD 4.49Å; P201-K203 HydrophobicContact CB-CG 3.78Å; P201-K203 PolarHBondContact O-N 3.48Å
204L93.3Very high91.2Very high60 Ų6046.6 Ų46.631%0.31423%0.226SC..G310 helixtrans-98.52.3176.2-58.6-177.6000112.3Q163 V200 P201 V202Q163-L204 PolarHBondContact N-O 3.2Å; V200-L204 HydrophobicContact CG1-CB 3.75Å; V200-L204 HydrophobicContact CG1-CD1 4.3Å; P201-L204 HydrophobicContact CB-CG 4.44Å; P201-L204 HydrophobicContact CG-CD1 4.23Å; P201-L204 PolarHBondContact O-N 2.85Å; V202-L204 PolarHBondContact O-N 2.85Å; V202-L204 VanDerWaalsContact O-N 3.09Å
205L95Very high91.3Very high0 Ų049.8 Ų49.80%024%0.235CC..EExtended strand (participates in β ladder)trans-87132.5173.7-55.9-178.3000109.5E151 P154 F161 A162 V172 I174 A187 V189 V200 V202E151-L205 HydrophobicContact CB-CB 3.85Å; E151-L205 HydrophobicContact CG-CB 4.5Å; E151-L205 PolarHBondContact N-O 3.48Å; P154-L205 HydrophobicContact CB-CD1 4.24Å; F161-L205 CarbonylContact O-C 3.6Å; F161-L205 WeakPolarHBondContact O-CA 3.5Å; A162-L205 HydrophobicContact CB-CD2 4.06Å; V172-L205 HydrophobicContact CG2-CD2 4.4Å; I174-L205 HydrophobicContact CD1-CD1 4.04Å; A187-L205 HydrophobicContact CB-CD1 3.84Å; V189-L205 HydrophobicContact CG1-CD2 4.3Å; V200-L205 HydrophobicContact CB-CD2 4.46Å; V200-L205 HydrophobicContact CG1-CD2 4.1Å; V202-L205 HydrophobicContact CG2-CD1 4.22Å; V202-L205 VanDerWaalsContact O-CB 3.32Å; V202-L205 WeakPolarHBondContact O-CB 2.77Å; V202-L205 PolarHBondContact O-N 2.86Å
206L94.8Very high91.4Very high22 Ų2250.7 Ų50.712%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-122.7145.4-178.4-57.4168.1000108.6F148 E149 C160 F161 Q163 L169 L208F148-L206 HydrophobicContact CB-CB 4.05Å; F148-L206 HydrophobicContact CB-CD1 4.1Å; F148-L206 HydrophobicContact CB-CG 4.46Å; E149-L206 CarbonylContact O-C 3.41Å; E149-L206 VanDerWaalsContact O-CA 3.29Å; E149-L206 WeakPolarHBondContact O-CA 3.45Å; C160-L206 VanDerWaalsContact CB-O 3.28Å; C160-L206 WeakPolarHBondContact CB-O 3.39Å; F161-L206 HydrophobicContact CB-CB 4.07Å; F161-L206 PolarHBondContact N-O 2.84Å; F161-L206 PolarHBondContact O-N 2.82Å; Q163-L206 HydrophobicContact CB-CD1 4.28Å; L169-L206 HydrophobicContact CD2-CD1 3.64Å; L206-L208 PolarHBondContact O-N 3.12Å
207R93.8Very high91.4Very high78 Ų7846.5 Ų46.529%0.29422%0.221SC..EExtended strand (participates in β ladder)trans-57.3131.8177.6-171.7178.7-175.9171.26.1109.8W88 E149 P209W88-R207 VanDerWaalsContact CB-NH2 3.27Å; E149-R207 HydrophobicContact CB-CB 4.41Å; E149-R207 PolarHBondContact O-N 3.26Å; E149-R207 IonicContact OE2-NH1 3.51Å; E149-R207 PolarHBondContact OE2-NH1 2.81Å; R207-P209 WeakPolarHBondContact O-CD 3.42Å
208L93.1Very high91.4Very high7 Ų745.9 Ų45.94%0.03722%0.217CC..PPolyproline II helixtrans-79.8118.7173-17164000108.9I98 H159 F161 R171 L206 Y212 Y213I98-L208 HydrophobicContact CD1-CD2 3.52Å; H159-L208 HydrophobicContact CB-CD2 3.9Å; F161-L208 HydrophobicContact CD1-CD1 3.91Å; F161-L208 HydrophobicContact CD2-CD1 3.78Å; F161-L208 HydrophobicContact CE1-CD1 3.71Å; F161-L208 HydrophobicContact CE2-CD1 3.58Å; F161-L208 HydrophobicContact CG-CD1 3.94Å; F161-L208 HydrophobicContact CZ-CD1 3.53Å; R171-L208 HydrophobicContact CG-CD1 4.13Å; L206-L208 PolarHBondContact O-N 3.12Å; L208-Y212 VanDerWaalsContact CD1-CB 3.48Å; L208-Y212 HydrophobicContact CD1-CG 4.18Å; L208-Y213 HydrophobicContact CB-CD2 4.41Å; L208-Y213 HydrophobicContact CB-CE2 3.69Å; L208-Y213 HydrophobicContact CD2-CD1 4.38Å; L208-Y213 HydrophobicContact CD2-CD2 3.78Å; L208-Y213 HydrophobicContact CD2-CE1 4.21Å; L208-Y213 HydrophobicContact CD2-CE2 3.61Å; L208-Y213 HydrophobicContact CD2-CG 4.18Å; L208-Y213 HydrophobicContact CG-CD2 3.93Å; L208-Y213 HydrophobicContact CG-CE2 3.7Å; L208-Y213 WeakPolarHBondContact O-CE2 3.19Å
209P91Very high91.4Very high40 Ų4044.5 Ų44.526%0.2621%0.211SC..PPolyproline II helixtrans-64.5149.7173.2-13.125.3000110.9F148 F161 R207 D211 Y212F148-P209 HydrophobicContact CD1-CG 3.87Å; F148-P209 HydrophobicContact CE1-CG 3.59Å; F161-P209 VanDerWaalsContact CE2-CD 3.46Å; F161-P209 HydrophobicContact CE2-CG 4.3Å; R207-P209 WeakPolarHBondContact O-CD 3.42Å; P209-D211 PolarHBondContact O-N 2.83Å; P209-D211 VanDerWaalsContact O-N 3.17Å; P209-Y212 HydrophobicContact CB-CD2 3.97Å; P209-Y212 HydrophobicContact CB-CE2 4.42Å; P209-Y212 HydrophobicContact CG-CD2 3.76Å; P209-Y212 HydrophobicContact CG-CE2 3.97Å; P209-Y212 PolarHBondContact O-N 3.1Å
210L90.3Very high91.2Very high46 Ų4642.1 Ų42.124%0.24120%0.201CC..G310 helixtrans-54-39.3-175.8-176.963.1000113.1W88 V90 P91 A94 Y212 Y213 F214W88-L210 HydrophobicContact CZ2-CD2 3.87Å; V90-L210 HydrophobicContact CG1-CD1 4.36Å; P91-L210 HydrophobicContact CG-CD1 4.27Å; A94-L210 HydrophobicContact CB-CD1 4.22Å; L210-Y212 PolarHBondContact O-N 3.43Å; L210-Y212 VanDerWaalsContact O-N 3.09Å; L210-Y213 WeakPolarHBondContact O-CB 3.27Å; L210-Y213 PolarHBondContact O-N 3.43Å; L210-F214 HydrophobicContact CD1-CE2 4.08Å; L210-F214 HydrophobicContact CD2-CE2 4.35Å; L210-F214 HydrophobicContact CG-CE2 3.88Å
211D89.4Confident91.1Very high120 Ų12042.2 Ų42.264%0.64220%0.202SC*.G310 helixtrans-55.3-31.7179.4-58.5-19.2000112.8P209 F214 Y215P209-D211 PolarHBondContact O-N 2.83Å; P209-D211 VanDerWaalsContact O-N 3.17Å; D211-F214 PolarHBondContact O-N 3.23Å; D211-Y215 VanDerWaalsContact O-CD2 3.23Å; D211-Y215 WeakPolarHBondContact O-CD2 3.27Å; D211-Y215 WeakPolarHBondContact O-CE2 3.1Å
212Y91.5Very high91Very high39 Ų3940.9 Ų40.915%0.15319%0.193CC..G310 helixtrans-82.3-10.8-179.4-68.5-87.2000114P137 V139 F161 R171 L208 P209 L210P137-Y212 HydrophobicContact CB-CD1 3.99Å; P137-Y212 HydrophobicContact CB-CE1 4.09Å; P137-Y212 HydrophobicContact CG-CD1 4.02Å; P137-Y212 HydrophobicContact CG-CE1 4.47Å; V139-Y212 HydrophobicContact CB-CE1 4.48Å; V139-Y212 HydrophobicContact CG2-CE1 3.83Å; F161-Y212 HydrophobicContact CE1-CD1 4.41Å; F161-Y212 HydrophobicContact CE2-CD2 4.02Å; F161-Y212 HydrophobicContact CE2-CE2 4.16Å; F161-Y212 HydrophobicContact CE2-CG 4.24Å; F161-Y212 AromaticContact CZ-CD1 3.67Å; F161-Y212 HydrophobicContact CZ-CD1 3.67Å; F161-Y212 AromaticContact CZ-CD2 3.86Å; F161-Y212 HydrophobicContact CZ-CD2 3.86Å; F161-Y212 AromaticContact CZ-CE1 3.84Å; F161-Y212 HydrophobicContact CZ-CE1 3.84Å; F161-Y212 HydrophobicContact CZ-CE2 4.04Å; F161-Y212 AromaticContact CZ-CG 3.66Å; F161-Y212 HydrophobicContact CZ-CG 3.66Å; R171-Y212 PolarHBondContact NH1-O 3.36Å; L208-Y212 VanDerWaalsContact CD1-CB 3.48Å; L208-Y212 HydrophobicContact CD1-CG 4.18Å; P209-Y212 HydrophobicContact CB-CD2 3.97Å; P209-Y212 HydrophobicContact CB-CE2 4.42Å; P209-Y212 HydrophobicContact CG-CD2 3.76Å; P209-Y212 HydrophobicContact CG-CE2 3.97Å; P209-Y212 PolarHBondContact O-N 3.1Å; L210-Y212 PolarHBondContact O-N 3.43Å; L210-Y212 VanDerWaalsContact O-N 3.09Å
213Y91.7Very high90.8Very high16 Ų1640.1 Ų40.16%0.06319%0.189CC..THydrogen-bonded Turntrans-76.3-26.4170.1-77.7-95.9000112.2V90 A94 L95 I98 H159 L208 L210 Y215V90-Y213 HydrophobicContact CB-CE1 4.44Å; V90-Y213 HydrophobicContact CG1-CD1 3.61Å; V90-Y213 HydrophobicContact CG1-CD2 4.31Å; V90-Y213 HydrophobicContact CG1-CE1 3.71Å; V90-Y213 HydrophobicContact CG1-CE2 4.38Å; V90-Y213 HydrophobicContact CG1-CG 3.93Å; V90-Y213 HydrophobicContact CG2-CE1 4.07Å; V90-Y213 HydrophobicContact CG2-CE2 4.06Å; A94-Y213 VanDerWaalsContact O-O 3.1Å; L95-Y213 HydrophobicContact CD2-CD1 4.22Å; L95-Y213 HydrophobicContact CD2-CE1 3.83Å; I98-Y213 HydrophobicContact CB-CD1 4.36Å; I98-Y213 HydrophobicContact CD1-CD1 4.12Å; I98-Y213 HydrophobicContact CD1-CG 4.5Å; I98-Y213 HydrophobicContact CG2-CD1 3.87Å; I98-Y213 HydrophobicContact CG2-CE1 4.44Å; I98-Y213 PolarHBondContact N-O 2.97Å; H159-Y213 HydrophobicContact CB-CE1 3.79Å; H159-Y213 PolarHBondContact O-OH 2.83Å; H159-Y213 VanDerWaalsContact O-OH 3.11Å; L208-Y213 HydrophobicContact CB-CD2 4.41Å; L208-Y213 HydrophobicContact CB-CE2 3.69Å; L208-Y213 HydrophobicContact CD2-CD1 4.38Å; L208-Y213 HydrophobicContact CD2-CD2 3.78Å; L208-Y213 HydrophobicContact CD2-CE1 4.21Å; L208-Y213 HydrophobicContact CD2-CE2 3.61Å; L208-Y213 HydrophobicContact CD2-CG 4.18Å; L208-Y213 HydrophobicContact CG-CD2 3.93Å; L208-Y213 HydrophobicContact CG-CE2 3.7Å; L208-Y213 WeakPolarHBondContact O-CE2 3.19Å; L210-Y213 WeakPolarHBondContact O-CB 3.27Å; L210-Y213 PolarHBondContact O-N 3.43Å; Y213-Y215 PolarHBondContact O-N 3.46Å
214F89.4Confident90.8Very high92 Ų9233.2 Ų33.240%0.40416%0.159SC..SBendtrans-80.71.7179.2-69.9-72.7000114A94 T97 L210 D211A94-F214 HydrophobicContact CB-CD1 4.28Å; A94-F214 HydrophobicContact CB-CE1 3.85Å; A94-F214 HydrophobicContact CB-CE2 4.17Å; A94-F214 HydrophobicContact CB-CZ 3.79Å; T97-F214 WeakPolarHBondContact CG2-O 3.45Å; L210-F214 HydrophobicContact CD1-CE2 4.08Å; L210-F214 HydrophobicContact CD2-CE2 4.35Å; L210-F214 HydrophobicContact CG-CE2 3.88Å; D211-F214 PolarHBondContact O-N 3.23Å
215Y88.2Confident90.6Very high109 Ų10931 Ų3143%0.42715%0.149SC..SBendtrans-93.3123.5168.8-69.4-93.5000109P137 R171 D211 Y213P137-Y215 HydrophobicContact CB-CD1 3.88Å; P137-Y215 HydrophobicContact CB-CD2 4.1Å; P137-Y215 HydrophobicContact CB-CE1 4.07Å; P137-Y215 HydrophobicContact CB-CE2 4.27Å; P137-Y215 HydrophobicContact CB-CG 3.9Å; P137-Y215 HydrophobicContact CG-CD1 4.42Å; P137-Y215 HydrophobicContact CG-CD2 4.48Å; P137-Y215 HydrophobicContact CG-CG 4.12Å; R171-Y215 PolarHBondContact NH1-O 2.79Å; D211-Y215 VanDerWaalsContact O-CD2 3.23Å; D211-Y215 WeakPolarHBondContact O-CD2 3.27Å; D211-Y215 WeakPolarHBondContact O-CE2 3.1Å; Y213-Y215 PolarHBondContact O-N 3.46Å
216P88.5Confident90.2Very high30 Ų3032.2 Ų32.220%0.19516%0.161CC..PPolyproline II helixtrans-52.3153.5167.8-27.737000111.8T97 R100 K103 R171T97-P216 HydrophobicContact CG2-CG 4.18Å; T97-P216 WeakPolarHBondContact O-CA 3.41Å; R100-P216 VanDerWaalsContact O-CB 3.31Å; R100-P216 WeakPolarHBondContact O-CB 3.31Å; K103-P216 HydrophobicContact CB-CG 3.95Å; R171-P216 PolarHBondContact NH2-O 3.41Å
217R88.9Confident89.9Confident11 Ų1131.6 Ų31.64%0.04216%0.158CC..PPolyproline II helixtrans-64.3139.7169.360.6179.4-65.5169.91.9110.2I98 E99 R100 I192 T219I98-R217 WeakPolarHBondContact O-CB 3.43Å; I98-R217 PolarHBondContact O-N 3.4Å; E99-R217 WeakPolarHBondContact O-CD 3.35Å; R100-R217 PolarHBondContact O-N 2.97Å; I192-R217 HydrophobicContact CB-CB 4.09Å; I192-R217 HydrophobicContact CD1-CB 4.39Å; I192-R217 HydrophobicContact CG1-CB 4.36Å; R217-T219 PolarHBondContact NE-O 3.12Å; R217-T219 PolarHBondContact NE-OG1 3.08Å; R217-T219 PolarHBondContact NH2-OG1 3.41Å; R217-T219 PolarHBondContact O-N 2.69Å; R217-T219 VanDerWaalsContact O-N 3.16Å
218S88.2Confident89.6Confident0 Ų028.2 Ų28.20%015%0.147CC..SBendtrans-81.815.6-177.9-58.20000114.9T130 T135 K136 D193T130-S218 WeakPolarHBondContact CA-O 3.48Å; T130-S218 WeakPolarHBondContact CB-O 3.32Å; T130-S218 PolarHBondContact OG1-O 2.78Å; T135-S218 VanDerWaalsContact C-OG 3.31Å; T135-S218 WeakPolarHBondContact OG1-CA 3.38Å; T135-S218 VanDerWaalsContact OG1-CB 3.28Å; T135-S218 WeakPolarHBondContact OG1-CB 3.3Å; T135-S218 PolarHBondContact OG1-OG 3.32Å; K136-S218 WeakPolarHBondContact CA-OG 3.35Å; K136-S218 PolarHBondContact N-OG 2.77Å; D193-S218 PolarHBondContact OD1-N 3.31Å; D193-S218 PolarHBondContact OD1-OG 3.5Å
219T89.3Confident89.3Confident0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-128.4137.7-179.3570000111.3S101 L119 L128 V129 I192 D193 R217S101-T219 WeakPolarHBondContact CB-O 3.32Å; L119-T219 HydrophobicContact CD1-CG2 3.61Å; L128-T219 HydrophobicContact CD2-CG2 4.31Å; V129-T219 CarbonylContact O-C 3.51Å; V129-T219 WeakPolarHBondContact O-CA 3.5Å; I192-T219 PolarHBondContact O-OG1 3.13Å; D193-T219 VanDerWaalsContact C-CG2 3.4Å; D193-T219 WeakPolarHBondContact O-CG2 3.47Å; R217-T219 PolarHBondContact NE-O 3.12Å; R217-T219 PolarHBondContact NE-OG1 3.08Å; R217-T219 PolarHBondContact NH2-OG1 3.41Å; R217-T219 PolarHBondContact O-N 2.69Å; R217-T219 VanDerWaalsContact O-N 3.16Å
220L88.7Confident89.1Confident0 Ų032.5 Ų32.50%016%0.162CC..EExtended strand (participates in β ladder)trans-121.3131.4-179.7176.966.8000109.2S101 L105 V129 F131 I255 V268S101-L220 WeakPolarHBondContact OG-CD1 3.36Å; L105-L220 HydrophobicContact CD1-CD2 4.44Å; L105-L220 HydrophobicContact CD2-CD2 4.45Å; V129-L220 HydrophobicContact CG2-CB 3.88Å; V129-L220 PolarHBondContact N-O 3.06Å; V129-L220 PolarHBondContact O-N 3.47Å; F131-L220 HydrophobicContact CE1-CD2 4.47Å; F131-L220 HydrophobicContact CE2-CB 4.15Å; F131-L220 HydrophobicContact CZ-CB 3.85Å; F131-L220 HydrophobicContact CZ-CD2 3.89Å; F131-L220 HydrophobicContact CZ-CG 4.48Å; L220-I255 HydrophobicContact CD2-CD1 4.16Å; L220-V268 HydrophobicContact CD1-CB 4.23Å; L220-V268 HydrophobicContact CD1-CG2 3.76Å; L220-V268 HydrophobicContact CD2-CB 4.39Å
221H88.7Confident88.6Confident8 Ų833.6 Ų33.64%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-82.2132.2167.8-69.196.5000109F127 I267 V268 V312F127-H221 WeakPolarHBondContact O-CA 3.22Å; H221-I267 HydrophobicContact CB-CG1 4.16Å; H221-I267 WeakPolarHBondContact O-CA 3.27Å; H221-V268 PolarHBondContact O-N 3.03Å; H221-V312 VanDerWaalsContact CD2-CG1 3.44Å; H221-V312 WeakPolarHBondContact CD2-CG1 3.1Å; H221-V312 WeakPolarHBondContact CE1-CG1 3.33Å; H221-V312 WeakPolarHBondContact NE2-CG1 3.24Å
222C90.3Very high87.6Confident0 Ų031.9 Ų31.90%016%0.164CC..EExtended strand (participates in β ladder)trans-127.4153.1-175.9-64.20000111.1I126 F127 V268 V270I126-C222 CarbonylContact C-O 3.59Å; I126-C222 VanDerWaalsContact CA-O 3.26Å; I126-C222 WeakPolarHBondContact CA-O 3.47Å; F127-C222 HydrophobicContact CD1-CB 4.25Å; F127-C222 VanDerWaalsContact CD1-O 3.3Å; F127-C222 WeakPolarHBondContact CD1-O 3.39Å; F127-C222 HydrophobicContact CD2-CB 3.99Å; F127-C222 HydrophobicContact CE1-CB 3.77Å; F127-C222 HydrophobicContact CE2-CB 3.49Å; F127-C222 VanDerWaalsContact CE2-CB 3.49Å; F127-C222 HydrophobicContact CG-CB 4.36Å; F127-C222 HydrophobicContact CZ-CB 3.37Å; F127-C222 PolarHBondContact N-O 3.38Å; F127-C222 PolarHBondContact O-N 2.93Å; C222-V268 CarbonylContact C-O 3.58Å; C222-V268 VanDerWaalsContact CA-O 3.23Å; C222-V268 WeakPolarHBondContact CA-O 3.38Å; C222-V270 HydrophobicContact CB-CG1 4.26Å; C222-V270 HydrophobicContact CB-CG2 3.78Å
223C90.7Very high86.9Confident10 Ų1033.1 Ų33.17%0.06817%0.174CC..EExtended strand (participates in β ladder)trans-121148.4162.265.90000110.1P124 S125 S225 I262 I267 V268 P269 V270P124-C223 CarbonylContact O-C 3.47Å; P124-C223 WeakPolarHBondContact O-CA 3.49Å; S125-C223 WeakPolarHBondContact O-CB 3.46Å; C223-S225 PolarHBondContact O-N 3.09Å; C223-I262 WeakPolarHBondContact SG-CD1 3.17Å; C223-I267 HydrophobicContact CB-CG2 3.9Å; C223-V268 PolarHBondContact N-O 2.96Å; C223-P269 WeakPolarHBondContact SG-CA 3.46Å; C223-V270 PolarHBondContact O-N 3Å
224L91.9Very high86.6Confident9 Ų933.1 Ų33.15%0.04717%0.174CC..EExtended strand (participates in β ladder)trans-73.6124175.1-71.9-174.6000109.1P124 F127 I227 L242 V270 L272 A285 L289P124-L224 HydrophobicContact CB-CB 4.43Å; P124-L224 HydrophobicContact CB-CD1 4.17Å; P124-L224 HydrophobicContact CB-CG 4.49Å; P124-L224 PolarHBondContact O-N 3.32Å; F127-L224 HydrophobicContact CE1-CD2 3.76Å; F127-L224 HydrophobicContact CE1-CG 3.79Å; F127-L224 HydrophobicContact CZ-CD2 3.84Å; F127-L224 HydrophobicContact CZ-CG 4.39Å; L224-I227 HydrophobicContact CB-CD1 3.86Å; L224-I227 HydrophobicContact CB-CG1 4.04Å; L224-I227 HydrophobicContact CD1-CD1 3.95Å; L224-L242 HydrophobicContact CD1-CD1 3.91Å; L224-L242 HydrophobicContact CD1-CD2 3.96Å; L224-V270 WeakPolarHBondContact CA-O 3.44Å; L224-L272 HydrophobicContact CD2-CB 3.6Å; L224-L272 HydrophobicContact CD2-CD2 4.45Å; L224-A285 HydrophobicContact CD1-CB 3.87Å; L224-A285 HydrophobicContact CD2-CB 4Å; L224-L289 HydrophobicContact CD1-CD1 3.82Å
225S88.9Confident86.6Confident14 Ų1430.2 Ų30.210%0.09816%0.164CC..THydrogen-bonded Turntrans-83.6152.6177.9-168.80000112.8C223 E258 V270C223-S225 PolarHBondContact O-N 3.09Å; S225-E258 WeakPolarHBondContact CB-OE2 3.23Å; S225-E258 VanDerWaalsContact OG-CD 3.26Å; S225-E258 PolarHBondContact OG-OE2 3.17Å; S225-V270 PolarHBondContact N-O 2.7Å
226G86.5Confident86.7Confident25 Ų2532.6 Ų32.626%0.25818%0.179SC..THydrogen-bonded Turntrans799.4177.100000115.6E299 S300G226-E299 WeakPolarHBondContact O-CA 3.5Å; G226-S300 WeakPolarHBondContact CA-OG 3.34Å; G226-S300 PolarHBondContact O-N 3.17Å; G226-S300 VanDerWaalsContact O-N 3.12Å
227I89.4Confident86.8Confident10 Ų1035 Ų355%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-134.3147.9177.457.6166.8000112.5P124 L224 W234 L289 L290 V297 T298 S300P124-I227 HydrophobicContact CB-CD1 4.04Å; L224-I227 HydrophobicContact CB-CD1 3.86Å; L224-I227 HydrophobicContact CB-CG1 4.04Å; L224-I227 HydrophobicContact CD1-CD1 3.95Å; I227-W234 HydrophobicContact CB-CH2 4.3Å; I227-W234 HydrophobicContact CD1-CH2 3.82Å; I227-W234 HydrophobicContact CD1-CZ3 4.32Å; I227-W234 HydrophobicContact CG1-CH2 3.95Å; I227-L289 HydrophobicContact CD1-CD1 3.55Å; I227-L290 HydrophobicContact CG2-CD1 3.91Å; I227-L290 HydrophobicContact CG2-CD2 4.21Å; I227-L290 HydrophobicContact CG2-CG 3.84Å; I227-V297 HydrophobicContact CB-CG1 3.94Å; I227-V297 HydrophobicContact CG2-CG1 4.13Å; I227-T298 WeakPolarHBondContact CA-O 3.44Å; I227-S300 PolarHBondContact N-OG 3.34Å; I227-S300 VanDerWaalsContact N-OG 3.13Å
228A87.5Confident86.9Confident7 Ų734.5 Ų34.56%0.05819%0.185CC..EExtended strand (participates in β ladder)trans-138.1153.6171.800000110.8T298 Y306A228-T298 HydrophobicContact CB-CG2 4.22Å; A228-T298 PolarHBondContact N-O 3.26Å; A228-T298 PolarHBondContact O-N 3.38Å; A228-Y306 HydrophobicContact CB-CD2 4.02Å
229P86.9Confident87.1Confident14 Ų1436 Ų369%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-69.3143.4169.330.8-31.5000109.5S231 D233 W234P229-S231 VanDerWaalsContact C-N 3.27Å; P229-S231 CarbonylContact C-O 2.96Å; P229-S231 WeakPolarHBondContact CB-O 3.48Å; P229-S231 WeakPolarHBondContact CG-O 3.46Å; P229-D233 WeakPolarHBondContact CB-O 3.3Å; P229-W234 HydrophobicContact CB-CD2 4.07Å; P229-W234 HydrophobicContact CB-CE3 3.94Å; P229-W234 HydrophobicContact CB-CZ3 4.27Å; P229-W234 HydrophobicContact CG-CD2 4.26Å; P229-W234 HydrophobicContact CG-CZ2 4.4Å
230K85.4Confident87.3Confident123 Ų12339.6 Ų39.654%0.53521%0.212SC..SBendtrans-74.2-22.6171.2-74.6177.8168.7-179.50112.4S294 E295 E296 V297 T298K230-S294 WeakPolarHBondContact CE-O 3.48Å; K230-S294 PolarHBondContact NZ-O 2.95Å; K230-E295 VanDerWaalsContact CD-O 3.3Å; K230-E295 WeakPolarHBondContact CD-O 3.44Å; K230-E296 PolarHBondContact N-O 2.68Å; K230-V297 WeakPolarHBondContact CE-O 3.34Å; K230-T298 HydrophobicContact CG-CG2 4.12Å
231S79.8Confident87.5Confident68 Ų6841.6 Ų41.648%0.47622%0.22SC..SBendtrans-94.7176.3169.644.50000111.3P229 D233P229-S231 VanDerWaalsContact C-N 3.27Å; P229-S231 CarbonylContact C-O 2.96Å; P229-S231 WeakPolarHBondContact CB-O 3.48Å; P229-S231 WeakPolarHBondContact CG-O 3.46Å; S231-D233 PolarHBondContact O-N 3.2Å; S231-D233 PolarHBondContact OG-O 3.44Å
232D68.5Low87.7Confident84 Ų8441.2 Ų41.245%0.44922%0.218SC..SBendtrans-63.2-20.1177.4-57-31.9000114.1N441 S443D232-N441 PolarHBondContact OD1-ND2 3.28Å; D232-N441 PolarHBondContact OD2-ND2 3.47Å; D232-S443 PolarHBondContact OD2-OG 2.82Å
233D77.9Confident87.8Confident65 Ų6544 Ų4435%0.34823%0.23SC..SBendtrans-144.1165.8-176.3-152.8-12.5000111.1P229 S231P229-D233 WeakPolarHBondContact CB-O 3.3Å; S231-D233 PolarHBondContact O-N 3.2Å; S231-D233 PolarHBondContact OG-O 3.44Å
234W85.3Confident87.9Confident17 Ų1750.2 Ų50.26%0.06426%0.256CS..  trans-75.8135.2175.6-61.5100.1000111.4P124 S125 I227 P229 T238 I239 V297P124-W234 HydrophobicContact CB-CD2 4.03Å; P124-W234 HydrophobicContact CB-CE3 4.25Å; P124-W234 HydrophobicContact CB-CH2 3.8Å; P124-W234 HydrophobicContact CB-CZ2 3.58Å; P124-W234 HydrophobicContact CB-CZ3 4.13Å; P124-W234 HydrophobicContact CG-CD2 3.66Å; P124-W234 HydrophobicContact CG-CE3 3.72Å; P124-W234 HydrophobicContact CG-CG 4.22Å; P124-W234 HydrophobicContact CG-CH2 4.14Å; P124-W234 HydrophobicContact CG-CZ2 4.13Å; P124-W234 HydrophobicContact CG-CZ3 3.94Å; S125-W234 PolarHBondContact OG-NE1 3.5Å; I227-W234 HydrophobicContact CB-CH2 4.3Å; I227-W234 HydrophobicContact CD1-CH2 3.82Å; I227-W234 HydrophobicContact CD1-CZ3 4.32Å; I227-W234 HydrophobicContact CG1-CH2 3.95Å; P229-W234 HydrophobicContact CB-CD2 4.07Å; P229-W234 HydrophobicContact CB-CE3 3.94Å; P229-W234 HydrophobicContact CB-CZ3 4.27Å; P229-W234 HydrophobicContact CG-CD2 4.26Å; P229-W234 HydrophobicContact CG-CZ2 4.4Å; W234-T238 HydrophobicContact CD2-CG2 4.35Å; W234-T238 HydrophobicContact CE3-CG2 3.49Å; W234-T238 VanDerWaalsContact CE3-CG2 3.49Å; W234-T238 HydrophobicContact CZ3-CG2 4Å; W234-I239 HydrophobicContact CB-CD1 4.32Å; W234-I239 HydrophobicContact CB-CG1 4.14Å; W234-V297 HydrophobicContact CE3-CG2 4.42Å; W234-V297 HydrophobicContact CZ3-CG1 4.07Å; W234-V297 HydrophobicContact CZ3-CG2 3.91Å
235S88.5Confident87.8Confident30 Ų3050.4 Ų50.421%0.2126%0.256CS..  trans-69.5155.2173.974.60000111.8K237 T238 I239 E296S235-K237 PolarHBondContact O-N 3.14Å; S235-K237 PolarHBondContact OG-N 3.01Å; S235-T238 PolarHBondContact O-N 2.9Å; S235-T238 WeakPolarHBondContact OG-CB 3.27Å; S235-T238 PolarHBondContact OG-N 3.34Å; S235-T238 PolarHBondContact OG-OG1 3.1Å; S235-I239 WeakPolarHBondContact O-CG1 3.5Å; S235-I239 PolarHBondContact O-N 3.14Å; S235-I239 VanDerWaalsContact O-N 3.07Å; S235-E296 WeakPolarHBondContact CB-OE2 3.2Å; S235-E296 PolarHBondContact OG-OE2 3.01Å
236E90.5Very high87.9Confident159 Ų15950.6 Ų50.674%0.74326%0.258SS*.Hα-helixtrans-57.4-35.7171-68.2-171.4156.800111.6T238 I239 D240E236-T238 PolarHBondContact O-N 3.38Å; E236-I239 PolarHBondContact O-N 2.93Å; E236-D240 VanDerWaalsContact O-CB 3.29Å; E236-D240 WeakPolarHBondContact O-CB 3.11Å; E236-D240 PolarHBondContact O-N 3.49Å
237K91.8Very high87.5Confident81 Ų8153.2 Ų53.235%0.35227%0.272SS..Hα-helixtrans-60.5-43.8177.3-175.3-175.1174.3-165.70111.7S235 W241 Y292 V293 E295S235-K237 PolarHBondContact O-N 3.14Å; S235-K237 PolarHBondContact OG-N 3.01Å; K237-W241 PolarHBondContact O-N 2.94Å; K237-Y292 HydrophobicContact CG-CE1 4.05Å; K237-V293 HydrophobicContact CD-CG1 3.58Å; K237-V293 HydrophobicContact CG-CG1 3.88Å; K237-E295 IonicContact NZ-OE1 3.47Å; K237-E295 PolarHBondContact NZ-OE1 2.55Å
238T90.9Very high86.5Confident1 Ų156 Ų561%0.00629%0.289CS..Hα-helixtrans-66.4-44.7176.2-690000111.8P124 W234 S235 E236 W241 L242 L289 V297P124-T238 HydrophobicContact CG-CG2 3.63Å; W234-T238 HydrophobicContact CD2-CG2 4.35Å; W234-T238 HydrophobicContact CE3-CG2 3.49Å; W234-T238 VanDerWaalsContact CE3-CG2 3.49Å; W234-T238 HydrophobicContact CZ3-CG2 4Å; S235-T238 PolarHBondContact O-N 2.9Å; S235-T238 WeakPolarHBondContact OG-CB 3.27Å; S235-T238 PolarHBondContact OG-N 3.34Å; S235-T238 PolarHBondContact OG-OG1 3.1Å; E236-T238 PolarHBondContact O-N 3.38Å; T238-W241 PolarHBondContact O-N 2.89Å; T238-L242 PolarHBondContact O-N 3.5Å; T238-L242 VanDerWaalsContact O-N 3.13Å; T238-L289 HydrophobicContact CG2-CD1 4.32Å; T238-L289 HydrophobicContact CG2-CD2 3.8Å; T238-V297 HydrophobicContact CG2-CG2 4.19Å
239I92.1Very high85.2Confident30 Ų3063.6 Ų63.615%0.15433%0.329CS..Hα-helixtrans-62.4-45.3177.8-62.8169.3000110.7Y122 W234 S235 E236 W241 L242 K243Y122-I239 WeakPolarHBondContact O-CG2 3.22Å; W234-I239 HydrophobicContact CB-CD1 4.32Å; W234-I239 HydrophobicContact CB-CG1 4.14Å; S235-I239 WeakPolarHBondContact O-CG1 3.5Å; S235-I239 PolarHBondContact O-N 3.14Å; S235-I239 VanDerWaalsContact O-N 3.07Å; E236-I239 PolarHBondContact O-N 2.93Å; I239-W241 VanDerWaalsContact C-N 3.33Å; I239-W241 PolarHBondContact O-N 3.23Å; I239-L242 PolarHBondContact O-N 2.61Å; I239-K243 HydrophobicContact CG2-CD 4.25Å; I239-K243 WeakPolarHBondContact O-CG 3.12Å; I239-K243 PolarHBondContact O-N 2.86Å
240D92.7Very high84.3Confident77 Ų7766.4 Ų66.441%0.41236%0.36SS..Hα-helixtrans-65.7-35.4179.7-80.6-8.6000112.6E236 K244E236-D240 VanDerWaalsContact O-CB 3.29Å; E236-D240 WeakPolarHBondContact O-CB 3.11Å; E236-D240 PolarHBondContact O-N 3.49Å; D240-K244 WeakPolarHBondContact O-CB 3.29Å; D240-K244 VanDerWaalsContact O-CG 3.28Å; D240-K244 WeakPolarHBondContact O-CG 3.46Å; D240-K244 PolarHBondContact O-N 3.47Å
241W93.5Very high83.9Confident41 Ų4162 Ų6216%0.15535%0.345CS..Hα-helixtrans-62.3-48.6172.8-174.493.4000111K237 T238 I239 K243 K244 F245 A285 L289 Y292K237-W241 PolarHBondContact O-N 2.94Å; T238-W241 PolarHBondContact O-N 2.89Å; I239-W241 VanDerWaalsContact C-N 3.33Å; I239-W241 PolarHBondContact O-N 3.23Å; W241-K243 VanDerWaalsContact C-N 3.33Å; W241-K243 PolarHBondContact O-N 3.03Å; W241-K244 WeakPolarHBondContact O-CB 3.14Å; W241-K244 PolarHBondContact O-N 3.41Å; W241-K244 VanDerWaalsContact O-N 3.11Å; W241-F245 HydrophobicContact CE3-CB 4.13Å; W241-F245 HydrophobicContact CH2-CB 4.12Å; W241-F245 AromaticContact CH2-CD2 3.39Å; W241-F245 HydrophobicContact CH2-CD2 3.39Å; W241-F245 HydrophobicContact CH2-CE2 4.03Å; W241-F245 AromaticContact CH2-CG 3.97Å; W241-F245 HydrophobicContact CH2-CG 3.97Å; W241-F245 HydrophobicContact CZ2-CD2 4.09Å; W241-F245 HydrophobicContact CZ3-CB 3.8Å; W241-F245 AromaticContact CZ3-CD2 3.83Å; W241-F245 HydrophobicContact CZ3-CD2 3.83Å; W241-F245 AromaticContact CZ3-CG 3.91Å; W241-F245 HydrophobicContact CZ3-CG 3.91Å; W241-F245 PolarHBondContact O-N 3.36Å; W241-A285 WeakPolarHBondContact CZ3-O 3.42Å; W241-L289 HydrophobicContact CB-CD2 4.09Å; W241-L289 HydrophobicContact CD2-CD2 3.73Å; W241-L289 HydrophobicContact CD2-CG 4.3Å; W241-L289 HydrophobicContact CE3-CD1 4.44Å; W241-L289 HydrophobicContact CE3-CD2 3.27Å; W241-L289 HydrophobicContact CE3-CG 3.5Å; W241-L289 VanDerWaalsContact CE3-CG 3.5Å; W241-L289 HydrophobicContact CG-CD2 4.1Å; W241-L289 HydrophobicContact CZ3-CD2 3.99Å; W241-L289 HydrophobicContact CZ3-CG 3.65Å; W241-Y292 HydrophobicContact CB-CD1 3.78Å; W241-Y292 HydrophobicContact CB-CE1 3.83Å; W241-Y292 AromaticContact CD1-CD1 3.08Å; W241-Y292 AromaticContact CD1-CD2 3.63Å; W241-Y292 AromaticContact CD1-CE1 3.43Å; W241-Y292 VanDerWaalsContact CD1-CE1 3.43Å; W241-Y292 AromaticContact CD1-CE2 3.92Å; W241-Y292 AromaticContact CD1-CG 3.2Å; W241-Y292 AromaticContact CD1-CZ 3.84Å; W241-Y292 HydrophobicContact CD2-CD1 4.5Å; W241-Y292 AromaticContact CG-CD1 3.52Å; W241-Y292 HydrophobicContact CG-CD1 3.52Å; W241-Y292 AromaticContact CG-CE1 3.92Å; W241-Y292 HydrophobicContact CG-CE1 3.92Å; W241-Y292 AromaticContact CG-CG 3.99Å; W241-Y292 HydrophobicContact CG-CG 3.99Å; W241-Y292 AromaticContact NE1-CD1 3.82Å; W241-Y292 AromaticContact NE1-CD2 3.78Å; W241-Y292 AromaticContact NE1-CG 3.45Å
242L93.3Very high84.2Confident0 Ų061 Ų610%034%0.336CS..Hα-helixtrans-64.2-40-179.5-176.858.9000111.3V121 P124 L224 T238 I239 K244 F245 C246 A285V121-L242 HydrophobicContact CG1-CB 4.14Å; V121-L242 HydrophobicContact CG1-CD2 3.66Å; V121-L242 HydrophobicContact CG1-CG 3.74Å; P124-L242 HydrophobicContact CB-CD2 4.28Å; P124-L242 HydrophobicContact CG-CD2 4.09Å; L224-L242 HydrophobicContact CD1-CD1 3.91Å; L224-L242 HydrophobicContact CD1-CD2 3.96Å; T238-L242 PolarHBondContact O-N 3.5Å; T238-L242 VanDerWaalsContact O-N 3.13Å; I239-L242 PolarHBondContact O-N 2.61Å; L242-K244 PolarHBondContact O-N 3.38Å; L242-F245 HydrophobicContact CD1-CD1 4.44Å; L242-F245 WeakPolarHBondContact O-CB 3.24Å; L242-F245 PolarHBondContact O-N 2.91Å; L242-C246 WeakPolarHBondContact O-CB 2.85Å; L242-C246 PolarHBondContact O-N 3.45Å; L242-C246 PolarHBondContact O-SG 3.47Å; L242-A285 HydrophobicContact CD1-CB 4.1Å
243K92.7Very high85.3Confident58 Ų5857.2 Ų57.225%0.25232%0.316SS..Hα-helixtrans-55.1-51.1170.5-77.4174.4176.6178.70111.1V121 I239 W241 F245 C246 S247V121-K243 HydrophobicContact CB-CG 3.84Å; V121-K243 HydrophobicContact CG1-CG 4.01Å; V121-K243 VanDerWaalsContact O-CE 3.22Å; V121-K243 WeakPolarHBondContact O-CE 3.27Å; I239-K243 HydrophobicContact CG2-CD 4.25Å; I239-K243 WeakPolarHBondContact O-CG 3.12Å; I239-K243 PolarHBondContact O-N 2.86Å; W241-K243 VanDerWaalsContact C-N 3.33Å; W241-K243 PolarHBondContact O-N 3.03Å; K243-F245 VanDerWaalsContact C-N 3.33Å; K243-F245 PolarHBondContact O-N 3.36Å; K243-C246 CarbonylContact O-C 2.97Å; K243-C246 WeakPolarHBondContact O-CA 3.14Å; K243-C246 PolarHBondContact O-N 2.89Å; K243-S247 VanDerWaalsContact C-OG 3.27Å; K243-S247 VanDerWaalsContact O-CB 3.29Å; K243-S247 WeakPolarHBondContact O-CB 3.44Å; K243-S247 PolarHBondContact O-N 2.64Å; K243-S247 PolarHBondContact O-OG 2.82Å
244K91Very high85.9Confident142 Ų14255.5 Ų55.562%0.61731%0.305SS*.Hα-helixtrans-61.4-39.3179.1-73.4168.5-174.9168.20112.6D240 W241 L242 C246 S247D240-K244 WeakPolarHBondContact O-CB 3.29Å; D240-K244 VanDerWaalsContact O-CG 3.28Å; D240-K244 WeakPolarHBondContact O-CG 3.46Å; D240-K244 PolarHBondContact O-N 3.47Å; W241-K244 WeakPolarHBondContact O-CB 3.14Å; W241-K244 PolarHBondContact O-N 3.41Å; W241-K244 VanDerWaalsContact O-N 3.11Å; L242-K244 PolarHBondContact O-N 3.38Å; K244-C246 PolarHBondContact O-N 3.4Å; K244-S247 PolarHBondContact O-N 3.08Å
245F91.2Very high86.2Confident13 Ų1354.7 Ų54.76%0.05730%0.303CS..Hα-helixtrans-57.2-39.3172.8-177.9-87.5000111.5W241 L242 K243 Y253 L272 K274 D283 A285W241-F245 HydrophobicContact CE3-CB 4.13Å; W241-F245 HydrophobicContact CH2-CB 4.12Å; W241-F245 AromaticContact CH2-CD2 3.39Å; W241-F245 HydrophobicContact CH2-CD2 3.39Å; W241-F245 HydrophobicContact CH2-CE2 4.03Å; W241-F245 AromaticContact CH2-CG 3.97Å; W241-F245 HydrophobicContact CH2-CG 3.97Å; W241-F245 HydrophobicContact CZ2-CD2 4.09Å; W241-F245 HydrophobicContact CZ3-CB 3.8Å; W241-F245 AromaticContact CZ3-CD2 3.83Å; W241-F245 HydrophobicContact CZ3-CD2 3.83Å; W241-F245 AromaticContact CZ3-CG 3.91Å; W241-F245 HydrophobicContact CZ3-CG 3.91Å; W241-F245 PolarHBondContact O-N 3.36Å; L242-F245 HydrophobicContact CD1-CD1 4.44Å; L242-F245 WeakPolarHBondContact O-CB 3.24Å; L242-F245 PolarHBondContact O-N 2.91Å; K243-F245 VanDerWaalsContact C-N 3.33Å; K243-F245 PolarHBondContact O-N 3.36Å; F245-Y253 HydrophobicContact CD1-CE1 4.1Å; F245-Y253 HydrophobicContact CE1-CD1 4.09Å; F245-Y253 AromaticContact CE1-CE1 3.82Å; F245-Y253 HydrophobicContact CE1-CE1 3.82Å; F245-Y253 PolarHBondContact O-OH 2.93Å; F245-L272 HydrophobicContact CD1-CD2 4.31Å; F245-L272 HydrophobicContact CE1-CD2 4.03Å; F245-L272 HydrophobicContact CE1-CG 4.27Å; F245-K274 HydrophobicContact CE1-CB 4.42Å; F245-K274 HydrophobicContact CE2-CB 4.48Å; F245-K274 HydrophobicContact CZ-CB 3.89Å; F245-D283 HydrophobicContact CE2-CB 4.48Å; F245-A285 HydrophobicContact CD1-CB 4.15Å; F245-A285 HydrophobicContact CE1-CB 3.8Å; F245-A285 HydrophobicContact CE2-CB 4.49Å; F245-A285 HydrophobicContact CZ-CB 3.98Å
246C91Very high86.2Confident18 Ų1854 Ų5412%0.12230%0.298CS..Hα-helixtrans-87.5-10179.2-620000115.3V118 V121 L242 K243 K244 V248 Y253V118-C246 HydrophobicContact CB-CB 4.1Å; V118-C246 HydrophobicContact CG1-CB 4.01Å; V118-C246 HydrophobicContact CG2-CB 4.41Å; V121-C246 HydrophobicContact CG2-CB 4.05Å; L242-C246 WeakPolarHBondContact O-CB 2.85Å; L242-C246 PolarHBondContact O-N 3.45Å; L242-C246 PolarHBondContact O-SG 3.47Å; K243-C246 CarbonylContact O-C 2.97Å; K243-C246 WeakPolarHBondContact O-CA 3.14Å; K243-C246 PolarHBondContact O-N 2.89Å; K244-C246 PolarHBondContact O-N 3.4Å; C246-V248 VanDerWaalsContact C-N 3.34Å; C246-V248 PolarHBondContact O-N 3.02Å; C246-Y253 WeakPolarHBondContact CA-OH 3.14Å; C246-Y253 PolarHBondContact O-OH 2.94Å
247S78Confident86Confident80 Ų8049.1 Ų49.156%0.55928%0.278SS*.  trans-88.516.3-167.2-660000115K243 K244 D249K243-S247 VanDerWaalsContact C-OG 3.27Å; K243-S247 VanDerWaalsContact O-CB 3.29Å; K243-S247 WeakPolarHBondContact O-CB 3.44Å; K243-S247 PolarHBondContact O-N 2.64Å; K243-S247 PolarHBondContact O-OG 2.82Å; K244-S247 PolarHBondContact O-N 3.08Å; S247-D249 PolarHBondContact O-N 2.63Å
248V67.5Low85.4Confident68 Ų6848.8 Ų48.841%0.41228%0.278SS..  trans-89.1102.7178.6-177.10000108.6C246 G250 S251C246-V248 VanDerWaalsContact C-N 3.34Å; C246-V248 PolarHBondContact O-N 3.02Å; V248-G250 PolarHBondContact O-N 3.43Å; V248-S251 WeakPolarHBondContact CB-OG 3.43Å; V248-S251 WeakPolarHBondContact CG1-OG 3.37Å; V248-S251 WeakPolarHBondContact O-CB 3.33Å; V248-S251 PolarHBondContact O-N 2.81Å; V248-S251 PolarHBondContact O-OG 3.27Å; V248-S251 VanDerWaalsContact O-OG 3.05Å
249D61.6Low84.5Confident166 Ų16651 Ų5189%0.88830%0.301SS*.THydrogen-bonded Turntrans-47.2128.6178.5-75.8-24.7000111.7S247 S251S247-D249 PolarHBondContact O-N 2.63Å; D249-S251 VanDerWaalsContact C-N 3.26Å; D249-S251 PolarHBondContact O-N 2.9Å
250G66.3Low83.6Confident73 Ų7356.2 Ų56.275%0.75333%0.329SS*.THydrogen-bonded Turntrans78.9-2-178.900000115.4V248V248-G250 PolarHBondContact O-N 3.43Å
251S77.8Confident82.7Confident30 Ų3056.7 Ų56.721%0.2133%0.325CS..  trans-68.4136175.3-65.40000111.5V248 D249V248-S251 WeakPolarHBondContact CB-OG 3.43Å; V248-S251 WeakPolarHBondContact CG1-OG 3.37Å; V248-S251 WeakPolarHBondContact O-CB 3.33Å; V248-S251 PolarHBondContact O-N 2.81Å; V248-S251 PolarHBondContact O-OG 3.27Å; V248-S251 VanDerWaalsContact O-OG 3.05Å; D249-S251 VanDerWaalsContact C-N 3.26Å; D249-S251 PolarHBondContact O-N 2.9Å
252T86.1Confident81.7Confident49 Ų4955.6 Ų55.630%0.30132%0.322SS..  trans-100.5142.3168.959.70000108.1Q115 I132Q115-T252 PolarHBondContact NE2-OG1 3.37Å; I132-T252 HydrophobicContact CD1-CG2 3.31Å
253Y91.7Very high80.4Confident3 Ų360.6 Ų60.61%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-116.9164.7178.1-61.9-93.3000108Q115 C116 V118 F245 C246 L272 Y273 K274Q115-Y253 CarbonylContact C-O 3.57Å; Q115-Y253 WeakPolarHBondContact CA-O 3.38Å; C116-Y253 PolarHBondContact N-O 2.73Å; C116-Y253 PolarHBondContact O-N 2.83Å; V118-Y253 HydrophobicContact CG2-CD2 3.99Å; V118-Y253 HydrophobicContact CG2-CE2 4.37Å; V118-Y253 HydrophobicContact CG2-CG 4.25Å; F245-Y253 HydrophobicContact CD1-CE1 4.1Å; F245-Y253 HydrophobicContact CE1-CD1 4.09Å; F245-Y253 AromaticContact CE1-CE1 3.82Å; F245-Y253 HydrophobicContact CE1-CE1 3.82Å; F245-Y253 PolarHBondContact O-OH 2.93Å; C246-Y253 WeakPolarHBondContact CA-OH 3.14Å; C246-Y253 PolarHBondContact O-OH 2.94Å; Y253-L272 HydrophobicContact CD1-CD1 4.3Å; Y253-L272 HydrophobicContact CD1-CG 4.42Å; Y253-L272 HydrophobicContact CG-CD1 4.23Å; Y253-Y273 CarbonylContact C-O 3.58Å; Y253-Y273 VanDerWaalsContact CA-O 3.23Å; Y253-Y273 WeakPolarHBondContact CA-O 3.28Å; Y253-Y273 WeakPolarHBondContact CB-O 3.36Å; Y253-K274 HydrophobicContact CD1-CB 4.27Å; Y253-K274 HydrophobicContact CD1-CG 4.41Å; Y253-K274 HydrophobicContact CE1-CB 4.2Å; Y253-K274 HydrophobicContact CE1-CG 3.98Å
254H90.7Very high79Confident29 Ų2965 Ų6513%0.13438%0.382CS..EExtended strand (participates in β ladder)trans-117.3141.7167-6280000108.2Q113 L114 Y273Q113-H254 HydrophobicContact CB-CB 4.47Å; L114-H254 CarbonylContact O-C 3.17Å; L114-H254 WeakPolarHBondContact O-CA 3.45Å; H254-Y273 PolarHBondContact N-O 2.8Å; H254-Y273 WeakPolarHBondContact O-CD2 3.46Å; H254-Y273 PolarHBondContact O-N 3.04Å
255I90.6Very high78Confident1 Ų160.2 Ų60.21%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-112.8139.3169.155.2165.7000109.7Q113 L114 V129 F131 L220 V270 H271 L272Q113-I255 CarbonylContact C-O 3.36Å; Q113-I255 VanDerWaalsContact CA-O 3.26Å; Q113-I255 WeakPolarHBondContact CA-O 3.34Å; L114-I255 HydrophobicContact CB-CG1 4.02Å; L114-I255 PolarHBondContact N-O 2.7Å; L114-I255 PolarHBondContact O-N 2.75Å; V129-I255 HydrophobicContact CG2-CD1 4.34Å; F131-I255 HydrophobicContact CE1-CD1 4.09Å; L220-I255 HydrophobicContact CD2-CD1 4.16Å; I255-V270 HydrophobicContact CB-CB 4.16Å; I255-V270 HydrophobicContact CB-CG1 4.3Å; I255-V270 HydrophobicContact CB-CG2 4.41Å; I255-V270 HydrophobicContact CD1-CG1 4.31Å; I255-V270 HydrophobicContact CG2-CB 4.33Å; I255-V270 HydrophobicContact CG2-CG2 4.02Å; I255-H271 CarbonylContact C-O 3.55Å; I255-H271 VanDerWaalsContact CA-O 3.29Å; I255-H271 WeakPolarHBondContact CA-O 3.33Å; I255-L272 HydrophobicContact CG2-CD1 3.7Å
256S88.8Confident77.3Confident15 Ų1561.7 Ų61.711%0.10537%0.374CS..EExtended strand (participates in β ladder)trans-111.7121.7165-166.30000107.8Q112 V270 H271Q112-S256 VanDerWaalsContact O-CA 3.28Å; Q112-S256 WeakPolarHBondContact O-CA 3.39Å; Q112-S256 WeakPolarHBondContact O-CB 3.34Å; Q112-S256 PolarHBondContact O-OG 3.47Å; S256-V270 CarbonylContact O-C 3.58Å; S256-V270 WeakPolarHBondContact O-CA 3.42Å; S256-V270 WeakPolarHBondContact O-CB 3.26Å; S256-H271 PolarHBondContact N-O 2.84Å; S256-H271 PolarHBondContact O-N 3.34Å
257V86.3Confident76.9Confident56 Ų5660.9 Ų60.934%0.33937%0.368SS..EExtended strand (participates in β ladder)trans-75125.2-179.5174.90000109.1L105 G259 V268 V270L105-V257 HydrophobicContact CD1-CG2 4.23Å; L105-V257 HydrophobicContact CD2-CG2 4.16Å; V257-G259 WeakPolarHBondContact CG1-O 3.22Å; V257-V268 HydrophobicContact CB-CG1 4.35Å; V257-V268 HydrophobicContact CG1-CG1 3.48Å; V257-V268 VanDerWaalsContact CG1-CG1 3.48Å; V257-V268 HydrophobicContact CG2-CG1 4.11Å; V257-V270 HydrophobicContact CG2-CG1 4.33Å
258E79.6Confident77.2Confident75 Ų7557.3 Ų57.335%0.3534%0.343SS..  trans-110.7109.4176.4-168.5168.7-165.300108S225 P269 H271S225-E258 WeakPolarHBondContact CB-OE2 3.23Å; S225-E258 VanDerWaalsContact OG-CD 3.26Å; S225-E258 PolarHBondContact OG-OE2 3.17Å; E258-P269 PolarHBondContact N-O 3.34Å; E258-P269 WeakPolarHBondContact O-CB 3.35Å; E258-P269 WeakPolarHBondContact O-CD 3.39Å; E258-P269 WeakPolarHBondContact O-CG 3.46Å; E258-H271 IonicContact OE2-CD2 2.9Å; E258-H271 IonicContact OE2-CE1 3.06Å; E258-H271 PolarHBondContact OE2-CE1 2.68Å; E258-H271 IonicContact OE2-ND1 2.63Å; E258-H271 IonicContact OE2-NE2 3.06Å; E258-H271 PolarHBondContact OE2-NE2 3.4Å; E258-H271 VanDerWaalsContact OE2-NE2 3.12Å
259G72.8Confident78.2Confident46 Ų4654.3 Ų54.347%0.47433%0.325SS..SBendtrans76.6-166177.800000115.3V257V257-G259 WeakPolarHBondContact CG1-O 3.22Å
260N71.5Confident79.6Confident140 Ų14046.4 Ų46.475%0.74928%0.282SS*.SBendtrans-90.4165.2179.8-69.1-50.3000110.4P269N260-P269 VanDerWaalsContact O-CD 3.24Å; N260-P269 WeakPolarHBondContact O-CD 3.4Å
261R74.9Confident80.7Confident87 Ų8745.3 Ų45.333%0.32826%0.257SS..  trans-50.2148167.171.2-176.8-175.71701.8111.3C263 I267 V268R261-C263 PolarHBondContact O-N 2.79Å; R261-I267 WeakPolarHBondContact CA-O 3.5Å; R261-V268 HydrophobicContact CB-CG2 4.19Å
262I71.4Confident81.5Confident18 Ų1843.9 Ų43.99%0.09225%0.247CC..SBendtrans-76.5112.1-178.1-67.8150.7000108.9C223 D264 T265 I267 P269 V305C223-I262 WeakPolarHBondContact SG-CD1 3.17Å; I262-D264 PolarHBondContact O-N 2.99Å; I262-T265 WeakPolarHBondContact O-CA 3.39Å; I262-T265 VanDerWaalsContact O-CB 3.3Å; I262-T265 WeakPolarHBondContact O-CB 3.43Å; I262-T265 WeakPolarHBondContact O-CG2 3.47Å; I262-T265 PolarHBondContact O-N 3.33Å; I262-T265 PolarHBondContact O-OG1 3.16Å; I262-I267 HydrophobicContact CD1-CB 4.1Å; I262-I267 HydrophobicContact CD1-CG2 3.77Å; I262-I267 PolarHBondContact N-O 2.82Å; I262-P269 HydrophobicContact CD1-CG 4.19Å; I262-P269 HydrophobicContact CG1-CG 4.19Å; I262-V305 HydrophobicContact CB-CG2 3.97Å; I262-V305 HydrophobicContact CD1-CB 4.34Å; I262-V305 HydrophobicContact CD1-CG1 4.04Å; I262-V305 HydrophobicContact CD1-CG2 3.33Å; I262-V305 HydrophobicContact CG1-CG2 3.41Å; I262-V305 VanDerWaalsContact CG1-CG2 3.41Å; I262-V305 HydrophobicContact CG2-CB 4.15Å; I262-V305 HydrophobicContact CG2-CG2 3.36Å
263C66.6Low81.7Confident106 Ų10642.1 Ų42.172%0.71624%0.235SC*.THydrogen-bonded Turntrans50.3-130.5177.7-53.90000112R261 T265R261-C263 PolarHBondContact O-N 2.79Å; C263-T265 VanDerWaalsContact C-N 3.32Å
264D64.2Low81.5Confident150 Ų15045.3 Ų45.380%0.80225%0.249SC*.THydrogen-bonded Turntrans-94.117.9174.9-63.5-34.1000112.5I262I262-D264 PolarHBondContact O-N 2.99Å
265T70.3Confident80.8Confident42 Ų4246.3 Ų46.326%0.25826%0.258SS..SBendtrans-90.3160.1176.578.90000111.4I262 C263 I267I262-T265 WeakPolarHBondContact O-CA 3.39Å; I262-T265 VanDerWaalsContact O-CB 3.3Å; I262-T265 WeakPolarHBondContact O-CB 3.43Å; I262-T265 WeakPolarHBondContact O-CG2 3.47Å; I262-T265 PolarHBondContact O-N 3.33Å; I262-T265 PolarHBondContact O-OG1 3.16Å; C263-T265 VanDerWaalsContact C-N 3.32Å; T265-I267 PolarHBondContact O-N 2.6Å; T265-I267 PolarHBondContact OG1-N 3.05Å
266D74.6Confident79.5Confident44 Ų4449.9 Ų49.924%0.23528%0.277CS..SBendtrans-85.315.5170.9-65.5-31.2000112.9
267I83Confident78.1Confident1 Ų152 Ų521%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-90.7128.6-179.9-52.5173.9000109.5I126 H221 C223 R261 I262 T265 L308 V312I126-I267 HydrophobicContact CD1-CD1 4.4Å; H221-I267 HydrophobicContact CB-CG1 4.16Å; H221-I267 WeakPolarHBondContact O-CA 3.27Å; C223-I267 HydrophobicContact CB-CG2 3.9Å; R261-I267 WeakPolarHBondContact CA-O 3.5Å; I262-I267 HydrophobicContact CD1-CB 4.1Å; I262-I267 HydrophobicContact CD1-CG2 3.77Å; I262-I267 PolarHBondContact N-O 2.82Å; T265-I267 PolarHBondContact O-N 2.6Å; T265-I267 PolarHBondContact OG1-N 3.05Å; I267-L308 HydrophobicContact CD1-CD1 3.65Å; I267-L308 HydrophobicContact CD1-CD2 3.78Å; I267-L308 HydrophobicContact CD1-CG 4.38Å; I267-V312 HydrophobicContact CD1-CG2 3.63Å; I267-V312 HydrophobicContact CG1-CG2 3.82Å
268V85.8Confident76.9Confident5 Ų555.9 Ų55.93%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-113131.2178.3176.50000110.4L105 L220 H221 C222 C223 V257 R261 V270L105-V268 HydrophobicContact CD1-CG2 4.49Å; L220-V268 HydrophobicContact CD1-CB 4.23Å; L220-V268 HydrophobicContact CD1-CG2 3.76Å; L220-V268 HydrophobicContact CD2-CB 4.39Å; H221-V268 PolarHBondContact O-N 3.03Å; C222-V268 CarbonylContact C-O 3.58Å; C222-V268 VanDerWaalsContact CA-O 3.23Å; C222-V268 WeakPolarHBondContact CA-O 3.38Å; C223-V268 PolarHBondContact N-O 2.96Å; V257-V268 HydrophobicContact CB-CG1 4.35Å; V257-V268 HydrophobicContact CG1-CG1 3.48Å; V257-V268 VanDerWaalsContact CG1-CG1 3.48Å; V257-V268 HydrophobicContact CG2-CG1 4.11Å; R261-V268 HydrophobicContact CB-CG2 4.19Å; V268-V270 HydrophobicContact CG1-CG1 4.22Å
269P87.3Confident76.1Confident5 Ų554.5 Ų54.53%0.03230%0.302CS..EExtended strand (participates in β ladder)trans-70.1133.5173.5-2.517.5000110.8C223 E258 N260 I262C223-P269 WeakPolarHBondContact SG-CA 3.46Å; E258-P269 PolarHBondContact N-O 3.34Å; E258-P269 WeakPolarHBondContact O-CB 3.35Å; E258-P269 WeakPolarHBondContact O-CD 3.39Å; E258-P269 WeakPolarHBondContact O-CG 3.46Å; N260-P269 VanDerWaalsContact O-CD 3.24Å; N260-P269 WeakPolarHBondContact O-CD 3.4Å; I262-P269 HydrophobicContact CD1-CG 4.19Å; I262-P269 HydrophobicContact CG1-CG 4.19Å
270V90.8Very high75.4Confident0 Ų060.2 Ų60.20%032%0.321CS..EExtended strand (participates in β ladder)trans-141.2150.9-179.4-52.70000112.4F127 C222 C223 L224 S225 I255 S256 V257 V268F127-V270 HydrophobicContact CE1-CG2 4.41Å; F127-V270 HydrophobicContact CE2-CG2 4.35Å; F127-V270 HydrophobicContact CZ-CG2 3.57Å; C222-V270 HydrophobicContact CB-CG1 4.26Å; C222-V270 HydrophobicContact CB-CG2 3.78Å; C223-V270 PolarHBondContact O-N 3Å; L224-V270 WeakPolarHBondContact CA-O 3.44Å; S225-V270 PolarHBondContact N-O 2.7Å; I255-V270 HydrophobicContact CB-CB 4.16Å; I255-V270 HydrophobicContact CB-CG1 4.3Å; I255-V270 HydrophobicContact CB-CG2 4.41Å; I255-V270 HydrophobicContact CD1-CG1 4.31Å; I255-V270 HydrophobicContact CG2-CB 4.33Å; I255-V270 HydrophobicContact CG2-CG2 4.02Å; S256-V270 CarbonylContact O-C 3.58Å; S256-V270 WeakPolarHBondContact O-CA 3.42Å; S256-V270 WeakPolarHBondContact O-CB 3.26Å; V257-V270 HydrophobicContact CG2-CG1 4.33Å; V268-V270 HydrophobicContact CG1-CG1 4.22Å
271H91Very high74.7Confident49 Ų4960.1 Ų60.123%0.22732%0.321CS..EExtended strand (participates in β ladder)trans-88.2126.7154.7-64.3-48.3000109.7I255 S256 E258 Y273I255-H271 CarbonylContact C-O 3.55Å; I255-H271 VanDerWaalsContact CA-O 3.29Å; I255-H271 WeakPolarHBondContact CA-O 3.33Å; S256-H271 PolarHBondContact N-O 2.84Å; S256-H271 PolarHBondContact O-N 3.34Å; E258-H271 IonicContact OE2-CD2 2.9Å; E258-H271 IonicContact OE2-CE1 3.06Å; E258-H271 PolarHBondContact OE2-CE1 2.68Å; E258-H271 IonicContact OE2-ND1 2.63Å; E258-H271 IonicContact OE2-NE2 3.06Å; E258-H271 PolarHBondContact OE2-NE2 3.4Å; E258-H271 VanDerWaalsContact OE2-NE2 3.12Å; H271-Y273 HydrophobicContact CB-CD2 4.37Å; H271-Y273 HydrophobicContact CB-CE2 3.45Å; H271-Y273 VanDerWaalsContact CB-CE2 3.45Å; H271-Y273 WeakPolarHBondContact CB-OH 3.48Å; H271-Y273 WeakPolarHBondContact O-CD2 3.2Å; H271-Y273 WeakPolarHBondContact O-CE2 3.11Å
272L93.3Very high74.2Confident0 Ų061.1 Ų61.10%033%0.327CS..EExtended strand (participates in β ladder)trans-100.8124176.9-177.669000110.5V118 F127 L224 F245 Y253 I255 A285V118-L272 HydrophobicContact CG2-CD1 4.19Å; V118-L272 HydrophobicContact CG2-CD2 4.19Å; F127-L272 HydrophobicContact CE2-CD2 4.35Å; L224-L272 HydrophobicContact CD2-CB 3.6Å; L224-L272 HydrophobicContact CD2-CD2 4.45Å; F245-L272 HydrophobicContact CD1-CD2 4.31Å; F245-L272 HydrophobicContact CE1-CD2 4.03Å; F245-L272 HydrophobicContact CE1-CG 4.27Å; Y253-L272 HydrophobicContact CD1-CD1 4.3Å; Y253-L272 HydrophobicContact CD1-CG 4.42Å; Y253-L272 HydrophobicContact CG-CD1 4.23Å; I255-L272 HydrophobicContact CG2-CD1 3.7Å; L272-A285 HydrophobicContact CB-CB 4.03Å; L272-A285 HydrophobicContact CD2-CB 4.18Å; L272-A285 HydrophobicContact CG-CB 4.42Å; L272-A285 PolarHBondContact O-N 3.38Å
273Y90.5Very high74.7Confident12 Ų1263.4 Ų63.45%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-117136.5-179.6-51.4-98.8000110.5Q113 Y253 H254 H271 T275 K277 I284Q113-Y273 VanDerWaalsContact NE2-CE2 3.26Å; Y253-Y273 CarbonylContact C-O 3.58Å; Y253-Y273 VanDerWaalsContact CA-O 3.23Å; Y253-Y273 WeakPolarHBondContact CA-O 3.28Å; Y253-Y273 WeakPolarHBondContact CB-O 3.36Å; H254-Y273 PolarHBondContact N-O 2.8Å; H254-Y273 WeakPolarHBondContact O-CD2 3.46Å; H254-Y273 PolarHBondContact O-N 3.04Å; H271-Y273 HydrophobicContact CB-CD2 4.37Å; H271-Y273 HydrophobicContact CB-CE2 3.45Å; H271-Y273 VanDerWaalsContact CB-CE2 3.45Å; H271-Y273 WeakPolarHBondContact CB-OH 3.48Å; H271-Y273 WeakPolarHBondContact O-CD2 3.2Å; H271-Y273 WeakPolarHBondContact O-CE2 3.11Å; Y273-T275 WeakPolarHBondContact CB-O 3.21Å; Y273-K277 HydrophobicContact CE1-CG 4.36Å; Y273-I284 HydrophobicContact CD1-CD1 4.21Å; Y273-I284 HydrophobicContact CD1-CG1 3.72Å; Y273-I284 HydrophobicContact CE1-CD1 3.7Å; Y273-I284 HydrophobicContact CE1-CG1 3.74Å; Y273-I284 HydrophobicContact CE1-CG2 4.4Å
274K86.7Confident75.8Confident71 Ų7160 Ų6031%0.30931%0.314SS..SBendtrans-78.8-25.4172.2-168.7172.4-179.8176.10113F245 Y253 D283F245-K274 HydrophobicContact CE1-CB 4.42Å; F245-K274 HydrophobicContact CE2-CB 4.48Å; F245-K274 HydrophobicContact CZ-CB 3.89Å; Y253-K274 HydrophobicContact CD1-CB 4.27Å; Y253-K274 HydrophobicContact CD1-CG 4.41Å; Y253-K274 HydrophobicContact CE1-CB 4.2Å; Y253-K274 HydrophobicContact CE1-CG 3.98Å; K274-D283 HydrophobicContact CB-CB 4.2Å; K274-D283 PolarHBondContact N-O 3.5Å; K274-D283 VanDerWaalsContact N-O 3.08Å
275T76Confident77.1Confident50 Ų5052.8 Ų52.831%0.30728%0.276SS..SBendtrans-124.9162.5175.654.90000109.2Y273 N281Y273-T275 WeakPolarHBondContact CB-O 3.21Å; T275-N281 PolarHBondContact OG1-O 3.33Å
276D64.8Low78Confident76 Ų7651.3 Ų51.341%0.40627%0.267SS..  trans-53.3148.8173.8-164-27.7000111.3Q113 D278 S279Q113-D276 PolarHBondContact OE1-OD1 2.97Å; Q113-D276 VanDerWaalsContact OE1-OD1 3.06Å; D276-D278 PolarHBondContact O-N 2.72Å; D276-D278 VanDerWaalsContact O-N 3.09Å; D276-D278 PolarHBondContact OD1-N 2.65Å; D276-S279 WeakPolarHBondContact O-CB 3.39Å; D276-S279 PolarHBondContact O-N 2.92Å; D276-S279 VanDerWaalsContact O-N 3.1Å
277K58.3Low78.7Confident59 Ų5951.4 Ų51.426%0.25727%0.271SS..THydrogen-bonded Turntrans-50.6-33.7174.9-140.8172.7170.2171.50111.3Q113 Y273 S279 K282Q113-K277 VanDerWaalsContact CD-CB 3.48Å; Q113-K277 HydrophobicContact CG-CD 4.47Å; Y273-K277 HydrophobicContact CE1-CG 4.36Å; K277-S279 VanDerWaalsContact C-N 3.29Å; K277-K282 VanDerWaalsContact O-CD 3.3Å; K277-K282 WeakPolarHBondContact O-CD 3.39Å; K277-K282 WeakPolarHBondContact O-CE 3.04Å; K277-K282 PolarHBondContact O-NZ 3.47Å
278D60.7Low78.9Confident137 Ų13751.9 Ų51.973%0.73328%0.277SS*.THydrogen-bonded Turntrans-87-1.5-170.9-65.7-22.3000113D276D276-D278 PolarHBondContact O-N 2.72Å; D276-D278 VanDerWaalsContact O-N 3.09Å; D276-D278 PolarHBondContact OD1-N 2.65Å
279S63.7Low79.1Confident47 Ų4751.7 Ų51.733%0.32928%0.275SS..SBendtrans-73.1132169.2-170.10000110.7D276 K277 N281 K282D276-S279 WeakPolarHBondContact O-CB 3.39Å; D276-S279 PolarHBondContact O-N 2.92Å; D276-S279 VanDerWaalsContact O-N 3.1Å; K277-S279 VanDerWaalsContact C-N 3.29Å; S279-N281 PolarHBondContact O-N 3.11Å; S279-K282 WeakPolarHBondContact O-CG 3.21Å
280D58.2Low79.2Confident165 Ų16553.2 Ų53.288%0.88228%0.283SS*.SBendtrans-59-18.1176.6-72-34.9000113.5
281N57.3Low79.1Confident139 Ų13961.6 Ų61.674%0.74332%0.319SS*.SBendtrans-110.275.6176.6-87.1-28000111.3T275 S279 D283T275-N281 PolarHBondContact OG1-O 3.33Å; S279-N281 PolarHBondContact O-N 3.11Å; N281-D283 PolarHBondContact O-N 3.38Å
282K64.7Low79Confident107 Ų10764.4 Ų64.447%0.46533%0.329SS..  trans-76.3109179.3-52.1-172.8-155-154.70111.1K277 S279 I284K277-K282 VanDerWaalsContact O-CD 3.3Å; K277-K282 WeakPolarHBondContact O-CD 3.39Å; K277-K282 WeakPolarHBondContact O-CE 3.04Å; K277-K282 PolarHBondContact O-NZ 3.47Å; S279-K282 WeakPolarHBondContact O-CG 3.21Å; K282-I284 HydrophobicContact CB-CD1 4.36Å; K282-I284 HydrophobicContact CB-CG1 4.07Å
283D81.9Confident78.7Confident67 Ų6764.4 Ų64.436%0.35833%0.329SS..  trans-94.694.7167.5-164.611.2000109F245 K274 N281F245-D283 HydrophobicContact CE2-CB 4.48Å; K274-D283 HydrophobicContact CB-CB 4.2Å; K274-D283 PolarHBondContact N-O 3.5Å; K274-D283 VanDerWaalsContact N-O 3.08Å; N281-D283 PolarHBondContact O-N 3.38Å
284I88.6Confident78.5Confident33 Ų3367 Ų6717%0.16935%0.349CS..BIsolated β-bridgetrans-97.8127.8-178.2-49.3180000108.5Y273 K282 S286 S287 G288Y273-I284 HydrophobicContact CD1-CD1 4.21Å; Y273-I284 HydrophobicContact CD1-CG1 3.72Å; Y273-I284 HydrophobicContact CE1-CD1 3.7Å; Y273-I284 HydrophobicContact CE1-CG1 3.74Å; Y273-I284 HydrophobicContact CE1-CG2 4.4Å; K282-I284 HydrophobicContact CB-CD1 4.36Å; K282-I284 HydrophobicContact CB-CG1 4.07Å; I284-S286 WeakPolarHBondContact CG2-OG 3.42Å; I284-S286 PolarHBondContact O-N 3.33Å; I284-S287 PolarHBondContact O-N 3.46Å; I284-G288 PolarHBondContact O-N 2.91Å
285A91.5Very high78.6Confident0 Ų068.3 Ų68.30%036%0.356CS..Hα-helixtrans-57.8-44.1-174.900000113.1L224 W241 L242 F245 L272 G288 L289L224-A285 HydrophobicContact CD1-CB 3.87Å; L224-A285 HydrophobicContact CD2-CB 4Å; W241-A285 WeakPolarHBondContact CZ3-O 3.42Å; L242-A285 HydrophobicContact CD1-CB 4.1Å; F245-A285 HydrophobicContact CD1-CB 4.15Å; F245-A285 HydrophobicContact CE1-CB 3.8Å; F245-A285 HydrophobicContact CE2-CB 4.49Å; F245-A285 HydrophobicContact CZ-CB 3.98Å; L272-A285 HydrophobicContact CB-CB 4.03Å; L272-A285 HydrophobicContact CD2-CB 4.18Å; L272-A285 HydrophobicContact CG-CB 4.42Å; L272-A285 PolarHBondContact O-N 3.38Å; A285-G288 PolarHBondContact O-N 2.98Å; A285-L289 WeakPolarHBondContact O-CG 3.31Å; A285-L289 PolarHBondContact O-N 3.23Å
286S88.6Confident79.1Confident11 Ų1168.5 Ų68.58%0.07735%0.353CS..Hα-helixtrans-62.4-46.9178.351.20000112.2I284 G288 L289 L290I284-S286 WeakPolarHBondContact CG2-OG 3.42Å; I284-S286 PolarHBondContact O-N 3.33Å; S286-G288 VanDerWaalsContact C-N 3.32Å; S286-G288 PolarHBondContact O-N 3.31Å; S286-L289 PolarHBondContact O-N 2.72Å; S286-L290 WeakPolarHBondContact O-CG 3.43Å; S286-L290 PolarHBondContact O-N 2.95Å
287S89.2Confident80.2Confident46 Ų4665 Ų6532%0.32233%0.334SS..Hα-helixtrans-64.1-36.2175.4-54.80000112.6I284 K291I284-S287 PolarHBondContact O-N 3.46Å; S287-K291 WeakPolarHBondContact O-CB 3.41Å; S287-K291 VanDerWaalsContact O-CG 3.27Å; S287-K291 WeakPolarHBondContact O-CG 3.23Å; S287-K291 PolarHBondContact O-N 3.12Å; S287-K291 VanDerWaalsContact O-N 3.14Å
288G88.8Confident81.7Confident11 Ų1165 Ų6511%0.11334%0.339CS..Hα-helixtrans-65.1-42.5174.900000112.3I284 A285 S286 K291 Y292I284-G288 PolarHBondContact O-N 2.91Å; A285-G288 PolarHBondContact O-N 2.98Å; S286-G288 VanDerWaalsContact C-N 3.32Å; S286-G288 PolarHBondContact O-N 3.31Å; G288-K291 PolarHBondContact O-N 3.44Å; G288-Y292 VanDerWaalsContact O-CB 3.26Å; G288-Y292 WeakPolarHBondContact O-CB 3.33Å; G288-Y292 PolarHBondContact O-N 2.6Å
289L89.4Confident82.9Confident0 Ų065.2 Ų65.20%034%0.336CS..Hα-helixtrans-63.2-48.7174.3-79.3174.1000112.3P124 L224 I227 T238 W241 A285 S286 K291 Y292 V293P124-L289 HydrophobicContact CB-CD1 4.4Å; P124-L289 HydrophobicContact CG-CD1 4.01Å; L224-L289 HydrophobicContact CD1-CD1 3.82Å; I227-L289 HydrophobicContact CD1-CD1 3.55Å; T238-L289 HydrophobicContact CG2-CD1 4.32Å; T238-L289 HydrophobicContact CG2-CD2 3.8Å; W241-L289 HydrophobicContact CB-CD2 4.09Å; W241-L289 HydrophobicContact CD2-CD2 3.73Å; W241-L289 HydrophobicContact CD2-CG 4.3Å; W241-L289 HydrophobicContact CE3-CD1 4.44Å; W241-L289 HydrophobicContact CE3-CD2 3.27Å; W241-L289 HydrophobicContact CE3-CG 3.5Å; W241-L289 VanDerWaalsContact CE3-CG 3.5Å; W241-L289 HydrophobicContact CG-CD2 4.1Å; W241-L289 HydrophobicContact CZ3-CD2 3.99Å; W241-L289 HydrophobicContact CZ3-CG 3.65Å; A285-L289 WeakPolarHBondContact O-CG 3.31Å; A285-L289 PolarHBondContact O-N 3.23Å; S286-L289 PolarHBondContact O-N 2.72Å; L289-K291 PolarHBondContact O-N 2.85Å; L289-Y292 PolarHBondContact O-N 2.95Å; L289-Y292 VanDerWaalsContact O-N 3.09Å; L289-V293 HydrophobicContact CD2-CG2 4.02Å; L289-V293 WeakPolarHBondContact O-CG2 3.33Å; L289-V293 PolarHBondContact O-N 3.05Å
290L89.1Confident83.7Confident37 Ų3764.4 Ų64.419%0.19433%0.33CS..Hα-helixtrans-57.5-34.4177.4-74.5166000112.4I227 S286 S294 V297 E299I227-L290 HydrophobicContact CG2-CD1 3.91Å; I227-L290 HydrophobicContact CG2-CD2 4.21Å; I227-L290 HydrophobicContact CG2-CG 3.84Å; S286-L290 WeakPolarHBondContact O-CG 3.43Å; S286-L290 PolarHBondContact O-N 2.95Å; L290-S294 WeakPolarHBondContact O-CA 3.48Å; L290-S294 VanDerWaalsContact O-CB 3.24Å; L290-S294 WeakPolarHBondContact O-CB 3.48Å; L290-S294 PolarHBondContact O-N 2.9Å; L290-V297 HydrophobicContact CD2-CG1 4Å; L290-E299 HydrophobicContact CD1-CG 3.7Å; L290-E299 HydrophobicContact CD2-CG 3.99Å
291K89.6Confident83.9Confident176 Ų17663.4 Ų63.477%0.76533%0.33SS*.Hα-helixtrans-77.4-36.7175.4-71.7172.4-176175.60113.2S287 G288 L289S287-K291 WeakPolarHBondContact O-CB 3.41Å; S287-K291 VanDerWaalsContact O-CG 3.27Å; S287-K291 WeakPolarHBondContact O-CG 3.23Å; S287-K291 PolarHBondContact O-N 3.12Å; S287-K291 VanDerWaalsContact O-N 3.14Å; G288-K291 PolarHBondContact O-N 3.44Å; L289-K291 PolarHBondContact O-N 2.85Å
292Y88.8Confident83.8Confident109 Ų10963.3 Ų63.343%0.42733%0.325SS..Hα-helixtrans-81.1-37.1-173.5-178.9-108.2000113.5K237 W241 G288 L289K237-Y292 HydrophobicContact CG-CE1 4.05Å; W241-Y292 HydrophobicContact CB-CD1 3.78Å; W241-Y292 HydrophobicContact CB-CE1 3.83Å; W241-Y292 AromaticContact CD1-CD1 3.08Å; W241-Y292 AromaticContact CD1-CD2 3.63Å; W241-Y292 AromaticContact CD1-CE1 3.43Å; W241-Y292 VanDerWaalsContact CD1-CE1 3.43Å; W241-Y292 AromaticContact CD1-CE2 3.92Å; W241-Y292 AromaticContact CD1-CG 3.2Å; W241-Y292 AromaticContact CD1-CZ 3.84Å; W241-Y292 HydrophobicContact CD2-CD1 4.5Å; W241-Y292 AromaticContact CG-CD1 3.52Å; W241-Y292 HydrophobicContact CG-CD1 3.52Å; W241-Y292 AromaticContact CG-CE1 3.92Å; W241-Y292 HydrophobicContact CG-CE1 3.92Å; W241-Y292 AromaticContact CG-CG 3.99Å; W241-Y292 HydrophobicContact CG-CG 3.99Å; W241-Y292 AromaticContact NE1-CD1 3.82Å; W241-Y292 AromaticContact NE1-CD2 3.78Å; W241-Y292 AromaticContact NE1-CG 3.45Å; G288-Y292 VanDerWaalsContact O-CB 3.26Å; G288-Y292 WeakPolarHBondContact O-CB 3.33Å; G288-Y292 PolarHBondContact O-N 2.6Å; L289-Y292 PolarHBondContact O-N 2.95Å; L289-Y292 VanDerWaalsContact O-N 3.09Å
293V86.5Confident83.2Confident0 Ų063.3 Ų63.30%033%0.33CS..  trans-137.148.8-172.2-82.70000110.8K237 L289 E295 E296 V297K237-V293 HydrophobicContact CD-CG1 3.58Å; K237-V293 HydrophobicContact CG-CG1 3.88Å; L289-V293 HydrophobicContact CD2-CG2 4.02Å; L289-V293 WeakPolarHBondContact O-CG2 3.33Å; L289-V293 PolarHBondContact O-N 3.05Å; V293-E295 PolarHBondContact O-N 3.07Å; V293-E296 HydrophobicContact CB-CB 4.44Å; V293-E296 PolarHBondContact O-N 2.79Å; V293-V297 HydrophobicContact CB-CG2 4.37Å; V293-V297 HydrophobicContact CG2-CG2 3.67Å; V293-V297 PolarHBondContact O-N 3.28Å
294S87.4Confident81.7Confident67 Ų6763.4 Ų63.447%0.46933%0.331SS..THydrogen-bonded Turntrans-56.5-22.2178.968.40000113.7K230 L290K230-S294 WeakPolarHBondContact CE-O 3.48Å; K230-S294 PolarHBondContact NZ-O 2.95Å; L290-S294 WeakPolarHBondContact O-CA 3.48Å; L290-S294 VanDerWaalsContact O-CB 3.24Å; L290-S294 WeakPolarHBondContact O-CB 3.48Å; L290-S294 PolarHBondContact O-N 2.9Å
295E88.5Confident79.9Confident97 Ų9763.8 Ų63.845%0.45333%0.334SS..THydrogen-bonded Turntrans-77.3-23.9177.964.5-80.3-17300113.5K230 K237 V293K230-E295 VanDerWaalsContact CD-O 3.3Å; K230-E295 WeakPolarHBondContact CD-O 3.44Å; K237-E295 IonicContact NZ-OE1 3.47Å; K237-E295 PolarHBondContact NZ-OE1 2.55Å; V293-E295 PolarHBondContact O-N 3.07Å
296E86.7Confident78.1Confident54 Ų5469.7 Ų69.725%0.25236%0.358SS..THydrogen-bonded Turntrans-115.6-17.3-174.7-74.3162-147.800112.7K230 S235 V293K230-E296 PolarHBondContact N-O 2.68Å; S235-E296 WeakPolarHBondContact CB-OE2 3.2Å; S235-E296 PolarHBondContact OG-OE2 3.01Å; V293-E296 HydrophobicContact CB-CB 4.44Å; V293-E296 PolarHBondContact O-N 2.79Å
297V87.4Confident76.1Confident2 Ų269.8 Ų69.81%0.01236%0.36CS..EExtended strand (participates in β ladder)trans-121141.8-177.7-175.10000109.9I227 K230 W234 T238 L290 V293I227-V297 HydrophobicContact CB-CG1 3.94Å; I227-V297 HydrophobicContact CG2-CG1 4.13Å; K230-V297 WeakPolarHBondContact CE-O 3.34Å; W234-V297 HydrophobicContact CE3-CG2 4.42Å; W234-V297 HydrophobicContact CZ3-CG1 4.07Å; W234-V297 HydrophobicContact CZ3-CG2 3.91Å; T238-V297 HydrophobicContact CG2-CG2 4.19Å; L290-V297 HydrophobicContact CD2-CG1 4Å; V293-V297 HydrophobicContact CB-CG2 4.37Å; V293-V297 HydrophobicContact CG2-CG2 3.67Å; V293-V297 PolarHBondContact O-N 3.28Å
298T88.8Confident74.3Confident59 Ų5969.5 Ų69.536%0.36236%0.355SS..EExtended strand (participates in β ladder)trans-127.4157.7174.7-171.20000110.4I227 A228 K230I227-T298 WeakPolarHBondContact CA-O 3.44Å; A228-T298 HydrophobicContact CB-CG2 4.22Å; A228-T298 PolarHBondContact N-O 3.26Å; A228-T298 PolarHBondContact O-N 3.38Å; K230-T298 HydrophobicContact CG-CG2 4.12Å
299E86.7Confident71.9Confident142 Ų14271.6 Ų71.666%0.66437%0.366SS*.EExtended strand (participates in β ladder)trans-64.4138.4167.2-68.9177.6-175.600109.3G226 L290G226-E299 WeakPolarHBondContact O-CA 3.5Å; L290-E299 HydrophobicContact CD1-CG 3.7Å; L290-E299 HydrophobicContact CD2-CG 3.99Å
300S79.9Confident69.5Low30 Ų3072.2 Ų72.221%0.2137%0.372CS..  trans-106.9138.2171.467.90000109.5G226 I227G226-S300 WeakPolarHBondContact CA-OG 3.34Å; G226-S300 PolarHBondContact O-N 3.17Å; G226-S300 VanDerWaalsContact O-N 3.12Å; I227-S300 PolarHBondContact N-OG 3.34Å; I227-S300 VanDerWaalsContact N-OG 3.13Å
301V62.5Low67.2Low145 Ų14572.1 Ų72.188%0.87937%0.374SS*.SBendtrans-96.2-12.8-177-172.10000111.6
302E55.4Low65.3Low136 Ų13664.6 Ų64.664%0.63634%0.342SS*.SBendtrans-136.1158.7-174.4-62.4-171.9165.300110.8D304E302-D304 PolarHBondContact O-N 3.03Å
303D51.9Low63.4Low107 Ų10764.4 Ų64.457%0.57235%0.346SS*.  trans-61.217.9174.4-66.9-33.2000113.8V305D303-V305 VanDerWaalsContact O-CG2 3.23Å; D303-V305 WeakPolarHBondContact O-CG2 3.35Å; D303-V305 PolarHBondContact O-N 3.44Å; D303-V305 VanDerWaalsContact O-N 3.1Å
304D50.1Low61.5Low70 Ų7067.9 Ų67.937%0.37436%0.362SS..  trans-69.8111.3-179.2-74.9-28.4000109.8E302 Y306E302-D304 PolarHBondContact O-N 3.03Å; D304-Y306 HydrophobicContact CB-CD2 3.59Å; D304-Y306 HydrophobicContact CB-CE1 4.12Å; D304-Y306 HydrophobicContact CB-CE2 2.98Å; D304-Y306 HydrophobicContact CB-CG 4.39Å; D304-Y306 WeakPolarHBondContact CB-OH 3.25Å; D304-Y306 WeakPolarHBondContact O-CD2 3.32Å; D304-Y306 PolarHBondContact O-N 3.49Å; D304-Y306 PolarHBondContact OD2-OH 3.03Å
305V51.9Low59.4Low40 Ų4066.7 Ų66.724%0.24235%0.35CS..  trans-81.277.1-174.8-165.50000110.1I262 D303 L308I262-V305 HydrophobicContact CB-CG2 3.97Å; I262-V305 HydrophobicContact CD1-CB 4.34Å; I262-V305 HydrophobicContact CD1-CG1 4.04Å; I262-V305 HydrophobicContact CD1-CG2 3.33Å; I262-V305 HydrophobicContact CG1-CG2 3.41Å; I262-V305 VanDerWaalsContact CG1-CG2 3.41Å; I262-V305 HydrophobicContact CG2-CB 4.15Å; I262-V305 HydrophobicContact CG2-CG2 3.36Å; D303-V305 VanDerWaalsContact O-CG2 3.23Å; D303-V305 WeakPolarHBondContact O-CG2 3.35Å; D303-V305 PolarHBondContact O-N 3.44Å; D303-V305 VanDerWaalsContact O-N 3.1Å; V305-L308 HydrophobicContact CB-CD1 4.25Å; V305-L308 HydrophobicContact CG1-CD1 3.28Å; V305-L308 HydrophobicContact CG1-CG 3.58Å
306Y52.1Low57.5Low124 Ų12462.7 Ų62.749%0.48633%0.332SS..THydrogen-bonded Turntrans-77.3135.3176.2-61.4-64.6000110S125 A228 D304S125-Y306 PolarHBondContact OG-O 3.29Å; A228-Y306 HydrophobicContact CB-CD2 4.02Å; D304-Y306 HydrophobicContact CB-CD2 3.59Å; D304-Y306 HydrophobicContact CB-CE1 4.12Å; D304-Y306 HydrophobicContact CB-CE2 2.98Å; D304-Y306 HydrophobicContact CB-CG 4.39Å; D304-Y306 WeakPolarHBondContact CB-OH 3.25Å; D304-Y306 WeakPolarHBondContact O-CD2 3.32Å; D304-Y306 PolarHBondContact O-N 3.49Å; D304-Y306 PolarHBondContact OD2-OH 3.03Å
307G48.2Very low55.3Low13 Ų1361.6 Ų61.613%0.13433%0.33CS..THydrogen-bonded Turntrans97.12.717800000117.1T309G307-T309 PolarHBondContact O-N 3.46Å; G307-T309 VanDerWaalsContact O-N 3.11Å
308L51Low53.2Low41 Ų4166.1 Ų66.122%0.21535%0.351CS..  trans-78.592171.3-76180000111.6I126 I267 V305I126-L308 HydrophobicContact CB-CD2 4.28Å; I126-L308 HydrophobicContact CG2-CD2 4.34Å; I267-L308 HydrophobicContact CD1-CD1 3.65Å; I267-L308 HydrophobicContact CD1-CD2 3.78Å; I267-L308 HydrophobicContact CD1-CG 4.38Å; V305-L308 HydrophobicContact CB-CD1 4.25Å; V305-L308 HydrophobicContact CG1-CD1 3.28Å; V305-L308 HydrophobicContact CG1-CG 3.58Å
309T38.1Very low51.3Low55 Ų5571.5 Ų71.534%0.33737%0.365SS..  trans-87.80.1-177.352.70000114.9G307 I447G307-T309 PolarHBondContact O-N 3.46Å; G307-T309 VanDerWaalsContact O-N 3.11Å; T309-I447 HydrophobicContact CG2-CD1 4.29Å
310G38.8Very low49.1Very low13 Ų1365.8 Ų65.813%0.13434%0.341CS..SBendtrans-161.8168.6179.800000114.9
311P41.1Very low47.3Very low35 Ų3570.8 Ų70.823%0.22736%0.364CS..  trans-60.8139.7167.7-1628.8000111.4E313 E314 L315P311-E313 PolarHBondContact O-N 2.91Å; P311-E314 HydrophobicContact CB-CB 4.31Å; P311-E314 HydrophobicContact CB-CG 4.33Å; P311-E314 VanDerWaalsContact CD-OE2 3.23Å; P311-E314 WeakPolarHBondContact CD-OE2 3.29Å; P311-E314 HydrophobicContact CG-CB 4.35Å; P311-E314 HydrophobicContact CG-CG 4.15Å; P311-E314 PolarHBondContact O-N 3.49Å; P311-L315 PolarHBondContact O-N 2.89Å; P311-L315 VanDerWaalsContact O-N 3.1Å
312V50.3Low46.4Very low17 Ų1768.9 Ų68.910%0.10336%0.364CS..Hα-helixtrans-53.5-39.6177.4177.30000111.5I126 H221 I267 E314 L315 T316I126-V312 HydrophobicContact CD1-CB 4.05Å; I126-V312 HydrophobicContact CD1-CG1 3.77Å; I126-V312 HydrophobicContact CD1-CG2 3.74Å; H221-V312 VanDerWaalsContact CD2-CG1 3.44Å; H221-V312 WeakPolarHBondContact CD2-CG1 3.1Å; H221-V312 WeakPolarHBondContact CE1-CG1 3.33Å; H221-V312 WeakPolarHBondContact NE2-CG1 3.24Å; I267-V312 HydrophobicContact CD1-CG2 3.63Å; I267-V312 HydrophobicContact CG1-CG2 3.82Å; V312-E314 VanDerWaalsContact C-N 3.33Å; V312-E314 PolarHBondContact O-N 3.47Å; V312-L315 PolarHBondContact O-N 3.44Å; V312-T316 WeakPolarHBondContact O-CG2 3.33Å; V312-T316 PolarHBondContact O-N 3.46Å; V312-T316 VanDerWaalsContact O-N 3.08Å; V312-T316 PolarHBondContact O-OG1 3.45Å; V312-T316 VanDerWaalsContact O-OG1 3.12Å
313E48.8Very low46.2Very low106 Ų10664 Ų6450%0.49535%0.345SS..Hα-helixtrans-70.5-26.8179.1-57.889.8166.700113P311 T316 S317P311-E313 PolarHBondContact O-N 2.91Å; E313-T316 WeakPolarHBondContact CA-OG1 3.5Å; E313-T316 PolarHBondContact O-OG1 3.3Å; E313-S317 WeakPolarHBondContact O-CB 3.46Å; E313-S317 PolarHBondContact O-N 3.37Å; E313-S317 PolarHBondContact O-OG 3.34Å
314E45.1Very low46.2Very low73 Ų7362.6 Ų62.634%0.34134%0.337SS..Hα-helixtrans-78-41.1174.9-77.1178.5-177.700110.6P311 V312 T316 S317 E318 Q454P311-E314 HydrophobicContact CB-CB 4.31Å; P311-E314 HydrophobicContact CB-CG 4.33Å; P311-E314 VanDerWaalsContact CD-OE2 3.23Å; P311-E314 WeakPolarHBondContact CD-OE2 3.29Å; P311-E314 HydrophobicContact CG-CB 4.35Å; P311-E314 HydrophobicContact CG-CG 4.15Å; P311-E314 PolarHBondContact O-N 3.49Å; V312-E314 VanDerWaalsContact C-N 3.33Å; V312-E314 PolarHBondContact O-N 3.47Å; E314-T316 PolarHBondContact O-N 3.28Å; E314-S317 WeakPolarHBondContact CA-OG 3.41Å; E314-S317 WeakPolarHBondContact O-CA 3.44Å; E314-S317 PolarHBondContact O-N 2.81Å; E314-S317 PolarHBondContact O-OG 3.21Å; E314-E318 WeakPolarHBondContact O-CG 3.4Å; E314-E318 PolarHBondContact O-N 3.07Å; E314-Q454 PolarHBondContact OE1-NE2 3.33Å
315L43.7Very low46.3Very low42 Ų4259.6 Ų59.622%0.2232%0.321CS..Hα-helixtrans-62.1-39.6177.1-65.9172.7000112.7Y122 I126 P311 V312 S317Y122-L315 HydrophobicContact CD1-CB 4.44Å; Y122-L315 WeakPolarHBondContact CE1-O 3.29Å; I126-L315 HydrophobicContact CD1-CD1 4.04Å; I126-L315 HydrophobicContact CG2-CD1 4.01Å; P311-L315 PolarHBondContact O-N 2.89Å; P311-L315 VanDerWaalsContact O-N 3.1Å; V312-L315 PolarHBondContact O-N 3.44Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 2.97Å
316T48.4Very low46Very low12 Ų1262.6 Ų62.67%0.07434%0.341CS..Hα-helixtrans-68.3-27.7172.254.10000112.3Y122 V312 E313 E314Y122-T316 HydrophobicContact CE2-CG2 4.48Å; Y122-T316 VanDerWaalsContact OH-CG2 3.32Å; Y122-T316 WeakPolarHBondContact OH-CG2 3.37Å; V312-T316 WeakPolarHBondContact O-CG2 3.33Å; V312-T316 PolarHBondContact O-N 3.46Å; V312-T316 VanDerWaalsContact O-N 3.08Å; V312-T316 PolarHBondContact O-OG1 3.45Å; V312-T316 VanDerWaalsContact O-OG1 3.12Å; E313-T316 WeakPolarHBondContact CA-OG1 3.5Å; E313-T316 PolarHBondContact O-OG1 3.3Å; E314-T316 PolarHBondContact O-N 3.28Å
317S41.6Very low46.1Very low31 Ų3158.9 Ų58.922%0.21733%0.33CS..Hα-helixtrans-86.7-30.4-174.583.20000114.7K188 E313 E314 L315K188-S317 PolarHBondContact NZ-O 3.48Å; E313-S317 WeakPolarHBondContact O-CB 3.46Å; E313-S317 PolarHBondContact O-N 3.37Å; E313-S317 PolarHBondContact O-OG 3.34Å; E314-S317 WeakPolarHBondContact CA-OG 3.41Å; E314-S317 WeakPolarHBondContact O-CA 3.44Å; E314-S317 PolarHBondContact O-N 2.81Å; E314-S317 PolarHBondContact O-OG 3.21Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 2.97Å
318E43.2Very low46.3Very low97 Ų9762.2 Ų62.245%0.45334%0.341SS..Hα-helixtrans-77.4-29.8-170.2-78.5-173.3163.700113.5E314 L321 N385E314-E318 WeakPolarHBondContact O-CG 3.4Å; E314-E318 PolarHBondContact O-N 3.07Å; E318-L321 WeakPolarHBondContact O-CD1 3.07Å; E318-N385 PolarHBondContact OE1-ND2 3.17Å
319R48Very low45.6Very low173 Ų17368.3 Ų68.365%0.65337%0.366SS*.SBendtrans-92.6-6.3179.4-82.7-174173.4170.71.6115.8L321R319-L321 PolarHBondContact O-N 2.84Å
320S41.1Very low45.2Very low22 Ų2273.9 Ų73.915%0.15439%0.388CS..G310 helixtrans-73.115.1169.4-176.20000113.6V197 A322 S323V197-S320 PolarHBondContact O-OG 3.09Å; S320-A322 PolarHBondContact O-N 2.94Å; S320-S323 PolarHBondContact O-N 3.25Å; S320-S323 PolarHBondContact O-OG 2.99Å; S320-S323 PolarHBondContact OG-OG 3.18Å
321L41.9Very low44.6Very low134 Ų13477.9 Ų77.970%0.70242%0.42SS*.G310 helixtrans-49.2-18.8170.8-106.4152.1000113.7E318 R319 S323E318-L321 WeakPolarHBondContact O-CD1 3.07Å; R319-L321 PolarHBondContact O-N 2.84Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.46Å
322A43.3Very low44Very low106 Ų10682 Ų8288%0.87645%0.45SS*.G310 helixtrans-72.6-7174.700000115.4S320S320-A322 PolarHBondContact O-N 2.94Å
323S50.6Low42.8Very low33 Ų3391.2 Ų91.223%0.23149%0.488CS..  trans-120.465.1173.666.60000111.1W199 S320 L321W199-S323 PolarHBondContact NE1-O 2.77Å; S320-S323 PolarHBondContact O-N 3.25Å; S320-S323 PolarHBondContact O-OG 2.99Å; S320-S323 PolarHBondContact OG-OG 3.18Å; L321-S323 VanDerWaalsContact C-N 3.27Å; L321-S323 PolarHBondContact O-N 3.46Å
324L52.6Low41.8Very low78 Ų7890.8 Ų90.841%0.40850%0.497SS..  trans-62.6140165.9-75.2168.8000108.9F328 F329L324-F328 HydrophobicContact CB-CB 4.5Å; L324-F328 HydrophobicContact CD2-CB 4.27Å; L324-F329 HydrophobicContact CD1-CE2 4.03Å; L324-F329 HydrophobicContact CD1-CZ 4.08Å
325P52Low40.9Very low7 Ų796.2 Ų96.25%0.04552%0.523CS..  trans-52.6142.5167.4-18.227.3000108.6W199 D327 F328W199-P325 HydrophobicContact CD2-CG 3.73Å; W199-P325 HydrophobicContact CE3-CG 4.05Å; W199-P325 HydrophobicContact CG-CG 4.07Å; W199-P325 HydrophobicContact CZ2-CG 4.26Å; W199-P325 HydrophobicContact CZ3-CG 4.45Å; P325-D327 PolarHBondContact O-N 2.72Å; P325-F328 HydrophobicContact CB-CD2 4.2Å; P325-F328 HydrophobicContact CG-CD2 4.09Å; P325-F328 PolarHBondContact O-N 3.46Å
326P46.7Very low40Very low102 Ų102100.9 Ų100.966%0.66256%0.557SS**THydrogen-bonded Turntrans-57.29.2-169.1-27.834.3000119.4
327D54.3Low39Very low47 Ų47105.2 Ų105.225%0.25159%0.588SS.*THydrogen-bonded Turntrans-137.420.2-178.9-62.4-55.9000114.1N180 K182 P325N180-D327 PolarHBondContact ND2-OD2 3.2Å; K182-D327 IonicContact NZ-OD1 2.6Å; P325-D327 PolarHBondContact O-N 2.72Å
328F52Low38.3Very low83 Ų83112.6 Ų112.636%0.36462%0.619SS.*  trans-98.812.7-173.3-103.8-80.3000117.2K178 L324 P325K178-F328 HydrophobicContact CD-CE2 3.73Å; K178-F328 HydrophobicContact CD-CZ 3.85Å; K178-F328 HydrophobicContact CG-CE2 4.44Å; L324-F328 HydrophobicContact CB-CB 4.5Å; L324-F328 HydrophobicContact CD2-CB 4.27Å; P325-F328 HydrophobicContact CB-CD2 4.2Å; P325-F328 HydrophobicContact CG-CD2 4.09Å; P325-F328 PolarHBondContact O-N 3.46Å
329F35.9Very low37.5Very low169 Ų169115.6 Ų115.674%0.74164%0.637SS**  trans-81.8136.9167.7-77.6-87.9000110.7L324L324-F329 HydrophobicContact CD1-CE2 4.03Å; L324-F329 HydrophobicContact CD1-CZ 4.08Å
330E29.4Very low36.6Very low172 Ų172114.5 Ų114.580%0.80464%0.643SS**  trans84.593177.7-60-179.3163.800118
331A26.7Very low35.9Very low97 Ų97121.4 Ų121.480%0.80268%0.675SS**  17470.3124.600000111.4
332S27.8Very low35.1Very low121 Ų121120.5 Ų120.585%0.84668%0.681SS**SBendtrans-143.942.1161.660.90000111.7
333K25.5Very low34.3Very low210 Ų210119 Ų11991%0.91367%0.668SS**SBendtrans-149.977.6161.7-75.8-168.1179.2179.30109
334S28.8Very low33.2Very low98 Ų98125.8 Ų125.869%0.68570%0.698SS**  trans-161.5105.3161.263.80000108.1
335E25Very low31.9Very low187 Ų187127.6 Ų127.687%0.87472%0.716SS**  56.7103.6111.7-71.2-175.6161.100114.4
336C25.8Very low30.8Very low139 Ų139131.8 Ų131.894%0.93975%0.745SS**  trans-139.1121.9142.2-159.80000108.9
337S27.3Very low30Very low104 Ų104134 Ų13473%0.72775%0.747SS**  trans-75.1155.1-162.2-53.50000114.1
338Q26.6Very low29Very low186 Ų186140.3 Ų140.387%0.86977%0.772SS**  trans-52134.8155.5-63.6170.9-13.200109.7
339L26.6Very low28.2Very low159 Ų159140 Ų14083%0.83278%0.778SS**  trans-179.9142.2142.3-98.2159.6000112.7
340L29.1Very low28.4Very low150 Ų150136.8 Ų136.879%0.78577%0.772SS**  trans81.289.4160.9-68.1142.3000117.5
341M27.1Very low28.7Very low167 Ų167132 Ų13282%0.82376%0.755SS**  64.810873.2-69.2-73-106.900116.2
342S24.1Very low29Very low116 Ų116133.5 Ų133.581%0.81175%0.745SS**  trans59.4148.2141.689.40000118.2
343A27.4Very low29.2Very low74 Ų74129.1 Ų129.161%0.61271%0.713SS**  cis-163.9170.220.900000110.2
344M26.9Very low29.4Very low176 Ų176122.1 Ų122.187%0.86769%0.688SS**  trans79.8121.8157.3-52.4-64.5-174.900120.3
345C25.6Very low29.6Very low116 Ų116118.9 Ų118.978%0.78466%0.664SS**  trans79.794.1152.9-89.50000121.6
346S28Very low29.8Very low94 Ų94113.6 Ų113.666%0.65765%0.647SS**SBendtrans67100.9134.557.10000120.2R410S346-R410 PolarHBondContact O-NH2 2.91Å
347Q30.1Very low30.3Very low148 Ų148110.5 Ų110.569%0.69262%0.619SS**  trans6778.9162.2-60.2-177.6-4.800115.1R410Q347-R410 PolarHBondContact O-NH2 2.69Å
348K34.1Very low30.7Very low181 Ų181112.1 Ų112.179%0.78762%0.619SS**  trans-94.9142.1170.4-74.4-176.2176.8-178.80111.2
349P35Very low31.4Very low75 Ų75111.6 Ų111.649%0.48761%0.61SS.*  trans-57.7141.7168.625.2-32.3000110.2T371P349-T371 HydrophobicContact CB-CG2 4.19Å
350V40Very low31.9Very low102 Ų102106.8 Ų106.862%0.61859%0.585SS**SBendtrans-83.6-27.1-166.3178.90000112.2K374V350-K374 HydrophobicContact CG2-CG 4.21Å
351V34.8Very low32Very low72 Ų72105 Ų10544%0.43659%0.586SS.*EExtended strand (participates in β ladder)trans-150.8132.5172.8-172.70000110.4V353 V372V351-V353 HydrophobicContact CG1-CG2 3.67Å; V351-V372 PolarHBondContact O-N 3.04Å
352Q33.6Very low32.4Very low128 Ų128101.9 Ų101.960%0.59857%0.572SS**EExtended strand (participates in β ladder)trans-107113.6167.8-160.8174.415.500107.2
353V31.3Very low32.8Very low30 Ų3098.8 Ų98.818%0.18256%0.559CS.*EExtended strand (participates in β ladder)trans-101.9119.1176.8177.80000108.5V351 V355 F370 I378V351-V353 HydrophobicContact CG1-CG2 3.67Å; V353-V355 HydrophobicContact CG1-CG2 4.07Å; V353-F370 HydrophobicContact CB-CB 4.28Å; V353-F370 PolarHBondContact N-O 2.85Å; V353-F370 PolarHBondContact O-N 3.41Å; V353-I378 HydrophobicContact CB-CD1 4.18Å; V353-I378 HydrophobicContact CG2-CD1 3.28Å
354T30.7Very low33.1Very low63 Ų63100.8 Ų100.839%0.38756%0.557SS.*EExtended strand (participates in β ladder)trans-101.8108.1174.5-55.70000107.3E367 M368T354-E367 HydrophobicContact CG2-CG 3.33Å; T354-E367 WeakPolarHBondContact CG2-OE1 3.43Å; T354-M368 WeakPolarHBondContact CA-O 3.48Å
355V32.6Very low33.7Very low29 Ų2998 Ų9818%0.17654%0.54CS..EExtended strand (participates in β ladder)trans-89.2110.8170.9-178.40000106.6V353 Q357 M368 F370 F387V353-V355 HydrophobicContact CG1-CG2 4.07Å; V355-Q357 PolarHBondContact O-N 3.25Å; V355-M368 PolarHBondContact N-O 3.22Å; V355-M368 PolarHBondContact O-N 3.42Å; V355-F370 HydrophobicContact CB-CD2 4.42Å; V355-F370 HydrophobicContact CB-CE2 3.9Å; V355-F370 HydrophobicContact CG2-CD2 3.77Å; V355-F370 HydrophobicContact CG2-CE2 3.47Å; V355-F370 VanDerWaalsContact CG2-CE2 3.47Å; V355-F387 HydrophobicContact CG1-CE2 4.23Å; V355-F387 HydrophobicContact CG2-CE2 4.3Å; V355-F387 HydrophobicContact CG2-CZ 4.26Å
356C28.6Very low34.2Very low76 Ų7696.6 Ų96.651%0.51452%0.518SS..EExtended strand (participates in β ladder)trans-83.6102.6166.3-69.40000106.7K365C356-K365 WeakPolarHBondContact SG-CE 3.48Å
357Q37.7Very low34.7Very low75 Ų7596.2 Ų96.235%0.3551%0.506SS..EExtended strand (participates in β ladder)trans-84.1152.9168.9-157.2169.714.900108.8V355 R366V355-Q357 PolarHBondContact O-N 3.25Å; Q357-R366 PolarHBondContact N-O 2.84Å
358D35.1Very low35Very low138 Ų13891.4 Ų91.474%0.73848%0.484SS*.  trans-43.7153.9177-73.2-51.1000113.4L360D358-L360 PolarHBondContact O-N 2.96Å; D358-L360 VanDerWaalsContact O-N 3.16Å
359Y40.5Very low35.1Very low174 Ų17489 Ų8968%0.68247%0.473SS*.  trans-47.6123.3174.3-66.1-92.2000109.7G363Y359-G363 WeakPolarHBondContact CD1-O 3.37Å
360L37.8Very low35.2Very low58 Ų5890.1 Ų90.130%0.30447%0.471SS..  trans-54.4157.5167.2-69.9171.6000108.8D358 N362 G363 M364 R366D358-L360 PolarHBondContact O-N 2.96Å; D358-L360 VanDerWaalsContact O-N 3.16Å; L360-N362 WeakPolarHBondContact CB-OD1 3.2Å; L360-N362 PolarHBondContact O-N 2.98Å; L360-G363 PolarHBondContact O-N 3.16Å; L360-M364 WeakPolarHBondContact CB-O 3.18Å; L360-M364 HydrophobicContact CD1-CB 4.34Å; L360-M364 PolarHBondContact N-O 2.74Å; L360-R366 HydrophobicContact CD1-CB 3.99Å; L360-R366 HydrophobicContact CD1-CG 4.31Å; L360-R366 HydrophobicContact CD2-CB 4.42Å; L360-R366 HydrophobicContact CG-CB 4.04Å
361S30.6Very low35.1Very low114 Ų11488.2 Ų88.280%0.79746%0.46SS*.THydrogen-bonded Turntrans-53.4-15.8178490000114.3
362N35.7Very low35.1Very low101 Ų10186 Ų8654%0.5445%0.446SS..THydrogen-bonded Turntrans-94.69.117465.76.6000114.9L360 M364L360-N362 WeakPolarHBondContact CB-OD1 3.2Å; L360-N362 PolarHBondContact O-N 2.98Å; N362-M364 PolarHBondContact O-N 3.01Å; N362-M364 VanDerWaalsContact OD1-CB 3.31Å; N362-M364 WeakPolarHBondContact OD1-CB 3.09Å; N362-M364 WeakPolarHBondContact OD1-CG 3.37Å; N362-M364 PolarHBondContact OD1-N 2.79Å
363G33.5Very low35.4Very low51 Ų5188.1 Ų88.153%0.52645%0.45SS..SBendtrans74.34.9-178.200000114.9Y359 L360Y359-G363 WeakPolarHBondContact CD1-O 3.37Å; L360-G363 PolarHBondContact O-N 3.16Å
364M33.6Very low35.5Very low116 Ų11695.3 Ų95.357%0.57148%0.479SS*.  trans-82.2132.1174.5-63.1-149.8-4700111.2L360 N362 R366L360-M364 WeakPolarHBondContact CB-O 3.18Å; L360-M364 HydrophobicContact CD1-CB 4.34Å; L360-M364 PolarHBondContact N-O 2.74Å; N362-M364 PolarHBondContact O-N 3.01Å; N362-M364 VanDerWaalsContact OD1-CB 3.31Å; N362-M364 WeakPolarHBondContact OD1-CB 3.09Å; N362-M364 WeakPolarHBondContact OD1-CG 3.37Å; N362-M364 PolarHBondContact OD1-N 2.79Å; M364-R366 PolarHBondContact O-N 2.95Å
365K39.7Very low35.8Very low117 Ų11797 Ų9751%0.50949%0.485SS..  trans-67116.1167-176.8-173.8179.4-164.50108.8C356 E367C356-K365 WeakPolarHBondContact SG-CE 3.48Å; K365-E367 IonicContact NZ-OE2 3.54Å
366R36.3Very low35.8Very low87 Ų8798.2 Ų98.233%0.32849%0.493SS..EExtended strand (participates in β ladder)trans-88.6108.6169.3-157.3177.2-168.9171.25.4108.5Q357 L360 M364 T457Q357-R366 PolarHBondContact N-O 2.84Å; L360-R366 HydrophobicContact CD1-CB 3.99Å; L360-R366 HydrophobicContact CD1-CG 4.31Å; L360-R366 HydrophobicContact CD2-CB 4.42Å; L360-R366 HydrophobicContact CG-CB 4.04Å; M364-R366 PolarHBondContact O-N 2.95Å; R366-T457 PolarHBondContact NH1-O 3.42Å
367E37.8Very low35.9Very low86 Ų8696 Ų9640%0.40248%0.482SS..EExtended strand (participates in β ladder)trans-94.7110.9174.5-167.8175.6142.100108.7T354 K365 K369T354-E367 HydrophobicContact CG2-CG 3.33Å; T354-E367 WeakPolarHBondContact CG2-OE1 3.43Å; K365-E367 IonicContact NZ-OE2 3.54Å; E367-K369 WeakPolarHBondContact OE1-CE 3.39Å; E367-K369 IonicContact OE1-NZ 3.37Å
368M37.1Very low35.5Very low46 Ų4695.8 Ų95.823%0.22748%0.483CS..EExtended strand (participates in β ladder)trans-94.8118.8171.3-74.1-173.6-16800109.4T354 V355 F370 T457T354-M368 WeakPolarHBondContact CA-O 3.48Å; V355-M368 PolarHBondContact N-O 3.22Å; V355-M368 PolarHBondContact O-N 3.42Å; M368-F370 HydrophobicContact CB-CE2 3.85Å; M368-F370 HydrophobicContact CB-CZ 4.32Å; M368-F370 HydrophobicContact SD-CZ 4.42Å; M368-T457 HydrophobicContact CE-CG2 3.62Å
369K36.2Very low35.2Very low131 Ų13191.2 Ų91.257%0.5746%0.464SS*.EExtended strand (participates in β ladder)trans-98.2110.1175.2-69.1-177.9-178.91780109.5E367E367-K369 WeakPolarHBondContact OE1-CE 3.39Å; E367-K369 IonicContact OE1-NZ 3.37Å
370F37Very low34.6Very low99 Ų9993.4 Ų93.443%0.43447%0.471SS..EExtended strand (participates in β ladder)trans-89.4119.8167.6-60.2-88.8000108.5V353 V355 M368V353-F370 HydrophobicContact CB-CB 4.28Å; V353-F370 PolarHBondContact N-O 2.85Å; V353-F370 PolarHBondContact O-N 3.41Å; V355-F370 HydrophobicContact CB-CD2 4.42Å; V355-F370 HydrophobicContact CB-CE2 3.9Å; V355-F370 HydrophobicContact CG2-CD2 3.77Å; V355-F370 HydrophobicContact CG2-CE2 3.47Å; V355-F370 VanDerWaalsContact CG2-CE2 3.47Å; M368-F370 HydrophobicContact CB-CE2 3.85Å; M368-F370 HydrophobicContact CB-CZ 4.32Å; M368-F370 HydrophobicContact SD-CZ 4.42Å
371T36.7Very low34.2Very low62 Ų6292.4 Ų92.438%0.3847%0.472SS..EExtended strand (participates in β ladder)trans-101.9112.3169.8-56.50000107.6P349 Y373P349-T371 HydrophobicContact CB-CG2 4.19Å; T371-Y373 HydrophobicContact CG2-CE1 4.33Å; T371-Y373 HydrophobicContact CG2-CE2 3.91Å
372V35.7Very low34.2Very low26 Ų2696.1 Ų96.116%0.15848%0.476CS..EExtended strand (participates in β ladder)trans-101.6123-176.1-178.20000110.2V351 V376 I378V351-V372 PolarHBondContact O-N 3.04Å; V372-V376 HydrophobicContact CG1-CB 3.47Å; V372-V376 VanDerWaalsContact CG1-CB 3.47Å; V372-V376 HydrophobicContact CG1-CG1 3.91Å; V372-V376 HydrophobicContact CG1-CG2 4.34Å; V372-I378 HydrophobicContact CG2-CD1 4.03Å
373Y39.1Very low34Very low172 Ų17294.6 Ų94.668%0.67547%0.473SS*.  trans-96.8126.1179.4-64-83.3000110.7T371 N375T371-Y373 HydrophobicContact CG2-CE1 4.33Å; T371-Y373 HydrophobicContact CG2-CE2 3.91Å; Y373-N375 VanDerWaalsContact C-N 3.26Å; Y373-N375 PolarHBondContact O-N 3.1Å
374K34.1Very low33.9Very low180 Ų180100.4 Ų100.478%0.78349%0.491SS*.SBendtrans22.7-21.4170.8-119.6-176.6177.8-170.90124.1V350V350-K374 HydrophobicContact CG2-CG 4.21Å
375N36.5Very low33.9Very low99 Ų99100.4 Ų100.453%0.52949%0.494SS..SBendtrans-120.99.7-172.3-61.6-6.8000114.3Y373 L392Y373-N375 VanDerWaalsContact C-N 3.26Å; Y373-N375 PolarHBondContact O-N 3.1Å; N375-L392 PolarHBondContact O-N 3.37Å
376V33.4Very low33.4Very low55 Ų55100.9 Ų100.933%0.33349%0.493SS..EExtended strand (participates in β ladder)trans-120.2117.4179.1176.50000108.7V372 A389 V391V372-V376 HydrophobicContact CG1-CB 3.47Å; V372-V376 VanDerWaalsContact CG1-CB 3.47Å; V372-V376 HydrophobicContact CG1-CG1 3.91Å; V372-V376 HydrophobicContact CG1-CG2 4.34Å; V376-A389 HydrophobicContact CG1-CB 4.36Å; V376-V391 HydrophobicContact CG2-CG2 4.48Å
377G29.1Very low32.9Very low28 Ų28103 Ų10329%0.28951%0.505SS..EExtended strand (participates in β ladder)trans-90.5126.9170.700000109.1I390G377-I390 PolarHBondContact N-O 2.92Å; G377-I390 PolarHBondContact O-N 3.25Å; G377-I390 VanDerWaalsContact O-O 3.14Å
378I30Very low32.5Very low71 Ų71103.4 Ų103.436%0.36450%0.503SS..EExtended strand (participates in β ladder)trans-91112.2170.5-62.6175.8000106.9V353 V372V353-I378 HydrophobicContact CB-CD1 4.18Å; V353-I378 HydrophobicContact CG2-CD1 3.28Å; V372-I378 HydrophobicContact CG2-CD1 4.03Å
379A29Very low32.1Very low42 Ų42105 Ų10535%0.34752%0.523SS..EExtended strand (participates in β ladder)trans-79.4134.1171.100000109.2I390A379-I390 HydrophobicContact CB-CD1 3.77Å; A379-I390 HydrophobicContact CB-CG1 4.41Å
380R28.7Very low31.7Very low220 Ų220102.9 Ų102.983%0.8352%0.517SS*.PPolyproline II helixtrans-57.9140.1-174.6-175.8179.9-176.6176.4-0.1112.2
381A28.8Very low31.4Very low38 Ų38103.4 Ų103.431%0.31453%0.528SS..PPolyproline II helixtrans-87.8132.6171.800000111.6R386A381-R386 WeakPolarHBondContact CB-O 3.3Å
382E29.8Very low31Very low192 Ų192105.6 Ų105.690%0.89754%0.537SS*.SBendtrans-1028.5173.5-68.8-169.5156.500113.4
383S31.2Very low30.8Very low68 Ų68111.2 Ų111.248%0.47657%0.566SS.*SBendtrans-145.8151.9170.766.20000111.5N385S383-N385 PolarHBondContact O-N 3.4Å
384L33.3Very low30.6Very low173 Ų173109.5 Ų109.591%0.90657%0.569SS**THydrogen-bonded Turntrans-59.7-8.6-166.3-78.8158.6000115.7
385N32.5Very low30.4Very low117 Ų117108 Ų10863%0.62657%0.569SS**THydrogen-bonded Turntrans-132.219.1-169.2-71-18.5000115.3E318 S383E318-N385 PolarHBondContact OE1-ND2 3.17Å; S383-N385 PolarHBondContact O-N 3.4Å
386R28.4Very low30.3Very low127 Ų127110.4 Ų110.448%0.47958%0.582SS.*  trans-133.3129.9178.6-64.3-175.6-179.1173.50.6112.1A381 Y388A381-R386 WeakPolarHBondContact CB-O 3.3Å; R386-Y388 HydrophobicContact CB-CE2 4.22Å
387F27.5Very low30.3Very low132 Ų132116 Ų11658%0.57960%0.604SS**  trans-123.1134.5167.9-67.1-87.3000109.1V355V355-F387 HydrophobicContact CG1-CE2 4.23Å; V355-F387 HydrophobicContact CG2-CE2 4.3Å; V355-F387 HydrophobicContact CG2-CZ 4.26Å
388Y28.5Very low30.5Very low94 Ų94125.6 Ų125.637%0.36963%0.632SS.*EExtended strand (participates in β ladder)trans-112132.9172.8-59.7-83.9000109.5R386R386-Y388 HydrophobicContact CB-CE2 4.22Å
389A29.1Very low30.5Very low79 Ų79127.2 Ų127.265%0.65365%0.649SS**EExtended strand (participates in β ladder)trans-105.7121.1167.900000108.3V376V376-A389 HydrophobicContact CG1-CB 4.36Å
390I27.1Very low30.5Very low87 Ų87131.5 Ų131.545%0.44667%0.674SS.*EExtended strand (participates in β ladder)trans-105.5119174.8-57.3178.2000107.5G377 A379 L392G377-I390 PolarHBondContact N-O 2.92Å; G377-I390 PolarHBondContact O-N 3.25Å; G377-I390 VanDerWaalsContact O-O 3.14Å; A379-I390 HydrophobicContact CB-CD1 3.77Å; A379-I390 HydrophobicContact CB-CG1 4.41Å; I390-L392 HydrophobicContact CG2-CD2 4.27Å; I390-L392 PolarHBondContact O-N 2.78Å
391V30.5Very low30.6Very low109 Ų109125 Ų12566%0.66166%0.662SS**EExtended strand (participates in β ladder)trans-81114.7169.5-177.70000107.5V376 N393V376-V391 HydrophobicContact CG2-CG2 4.48Å; V391-N393 PolarHBondContact O-N 2.66Å
392L29.4Very low30.6Very low109 Ų109126.6 Ų126.657%0.57167%0.668SS**  trans-83.7106.1175.2-66.9172.1000108.1N375 I390 N394N375-L392 PolarHBondContact O-N 3.37Å; I390-L392 HydrophobicContact CG2-CD2 4.27Å; I390-L392 PolarHBondContact O-N 2.78Å; L392-N394 PolarHBondContact O-N 3.22Å
393N31.7Very low30.6Very low144 Ų144119.4 Ų119.477%0.7764%0.642SS**  trans-73.8104.5173.9-154.88.1000108.6V391 N395V391-N393 PolarHBondContact O-N 2.66Å; N393-N395 PolarHBondContact O-N 2.99Å
394N33.6Very low30.4Very low135 Ų135123.8 Ų123.872%0.72266%0.655SS**  trans-73.4108.2170.1-99.8-10.2000107.8L392 D396L392-N394 PolarHBondContact O-N 3.22Å; N394-D396 PolarHBondContact O-N 3.2Å
395N30.7Very low30.3Very low149 Ų149120.1 Ų120.180%0.79764%0.636SS**  trans-54.9101.9163.6-75.4-29000109.1N393N393-N395 PolarHBondContact O-N 2.99Å
396D34Very low30.3Very low150 Ų150118.8 Ų118.880%0.80264%0.641SS**  trans-143.1115.4156.9-136.8-12000109.8N394 R398N394-D396 PolarHBondContact O-N 3.2Å; D396-R398 PolarHBondContact O-N 3.37Å; D396-R398 VanDerWaalsContact O-N 3.16Å
397H32.7Very low30.4Very low171 Ų171117.5 Ų117.579%0.79265%0.647SS**  trans-69.1104.2-176.9-63.3-79.2000110
398R34.4Very low30.6Very low231 Ų231116 Ų11687%0.87264%0.638SS**  trans-173.6114.8156.3-101.4149-162.7-148.87.4110.9D396D396-R398 PolarHBondContact O-N 3.37Å; D396-R398 VanDerWaalsContact O-N 3.16Å
399S30.5Very low30.5Very low104 Ų104122.9 Ų122.973%0.72766%0.663SS**  trans52.6127.3159.945.10000118S401S399-S401 PolarHBondContact O-N 2.96Å
400P28.9Very low30.6Very low132 Ų132125.7 Ų125.786%0.85766%0.657SS**  trans-68103.9177.829.5-30.6000108.8T402P400-T402 PolarHBondContact O-N 3.42Å
401S29.7Very low31Very low85 Ų85128.4 Ų128.459%0.59467%0.672SS**  trans-71.1121.5165.653.40000107.8S399S399-S401 PolarHBondContact O-N 2.96Å
402T29.7Very low31.4Very low70 Ų70131.7 Ų131.743%0.42969%0.687SS.*  trans-59.2152.9173.7470000109.7P400 E404 D405P400-T402 PolarHBondContact O-N 3.42Å; T402-E404 PolarHBondContact O-N 2.88Å; T402-D405 PolarHBondContact O-N 2.9Å
403A28.4Very low31.8Very low42 Ų42134.6 Ų134.635%0.34770%0.695SS.*G310 helixtrans-57.1-14.4-178.800000114D405A403-D405 VanDerWaalsContact C-N 3.27Å; A403-D405 PolarHBondContact O-N 3.22Å
404E28.5Very low31.9Very low160 Ų160135.7 Ų135.775%0.74870%0.697SS**G310 helixtrans-64.6-26.6170.5-66-179.2148.800113.2T402T402-E404 PolarHBondContact O-N 2.88Å
405D30.6Very low32.1Very low96 Ų96133.9 Ų133.951%0.51369%0.687SS.*G310 helixtrans-85.1-15.9-177.6-79.7-34.4000113.9T402 A403T402-D405 PolarHBondContact O-N 2.9Å; A403-D405 VanDerWaalsContact C-N 3.27Å; A403-D405 PolarHBondContact O-N 3.22Å
406A32.2Very low32.4Very low88 Ų88133.9 Ų133.973%0.72768%0.68SS**SBendtrans-85.4-10.5-173.300000113.8
407V30.2Very low32.5Very low100 Ų100132.9 Ų132.961%0.60667%0.67SS**SBendtrans-111.8106.5174.2-173.50000105.9
408Y31.7Very low32.8Very low102 Ų102129.5 Ų129.540%0.467%0.665SS.*  trans93.8101179-72.3-104.2000118.8K413 L415Y408-K413 VanDerWaalsContact CE1-O 3.29Å; Y408-K413 WeakPolarHBondContact CE1-O 3.39Å; Y408-L415 HydrophobicContact CE1-CD1 3.76Å; Y408-L415 VanDerWaalsContact CE1-N 3.31Å; Y408-L415 VanDerWaalsContact OH-CA 3.22Å; Y408-L415 WeakPolarHBondContact OH-CA 3.47Å; Y408-L415 WeakPolarHBondContact OH-CB 3.34Å; Y408-L415 WeakPolarHBondContact OH-CD1 3.23Å; Y408-L415 PolarHBondContact OH-N 3.07Å; Y408-L415 PolarHBondContact OH-O 2.95Å
409R27.6Very low33.1Very low238 Ų238124.2 Ų124.290%0.89865%0.651SS**  -138.391.6129.1-78.3-166.8-170.8164.66.3110.9
410R31.1Very low33.6Very low137 Ų137120.9 Ų120.952%0.51763%0.629SS.*SBendtrans-138.6105.8152.8-148.2174.2-171.91631.4108.8S346 Q347 N412S346-R410 PolarHBondContact O-NH2 2.91Å; Q347-R410 PolarHBondContact O-NH2 2.69Å; R410-N412 PolarHBondContact O-N 2.68Å
411N35.3Very low34.2Very low144 Ų144119 Ų11977%0.7762%0.617SS**THydrogen-bonded Turntrans6038.5166-61.2-9.9000118.7K413N411-K413 PolarHBondContact O-N 3Å
412N38.6Very low34.6Very low179 Ų179123.4 Ų123.496%0.95763%0.626SS**THydrogen-bonded Turntrans51.227.9168.8-85.21.6000115.3R410R410-N412 PolarHBondContact O-N 2.68Å
413K37Very low34.9Very low170 Ų170127.7 Ų127.774%0.73965%0.646SS**  trans-123.4115.3173.2-79.8-174.9173.8-177.90108.7Y408 N411 L415Y408-K413 VanDerWaalsContact CE1-O 3.29Å; Y408-K413 WeakPolarHBondContact CE1-O 3.39Å; N411-K413 PolarHBondContact O-N 3Å; K413-L415 PolarHBondContact O-N 3.49Å
414M34.4Very low35.2Very low166 Ų166127.4 Ų127.482%0.81864%0.642SS**PPolyproline II helixtrans-54.2124.7161.1-77-175.883.300107.9K416M414-K416 PolarHBondContact O-N 3.36Å; M414-K416 VanDerWaalsContact O-N 3.12Å
415L37.4Very low35.5Very low98 Ų98123.6 Ų123.651%0.51363%0.625SS.*PPolyproline II helixtrans-58.8119.8157.2-69.7106.3000105.3Y408 K413 E419Y408-L415 HydrophobicContact CE1-CD1 3.76Å; Y408-L415 VanDerWaalsContact CE1-N 3.31Å; Y408-L415 VanDerWaalsContact OH-CA 3.22Å; Y408-L415 WeakPolarHBondContact OH-CA 3.47Å; Y408-L415 WeakPolarHBondContact OH-CB 3.34Å; Y408-L415 WeakPolarHBondContact OH-CD1 3.23Å; Y408-L415 PolarHBondContact OH-N 3.07Å; Y408-L415 PolarHBondContact OH-O 2.95Å; K413-L415 PolarHBondContact O-N 3.49Å; L415-E419 HydrophobicContact CB-CB 4.45Å; L415-E419 HydrophobicContact CD2-CB 3.85Å; L415-E419 WeakPolarHBondContact CD2-OE2 3.22Å; L415-E419 WeakPolarHBondContact CG-OE2 3.14Å
416K37Very low35.6Very low148 Ų148125.7 Ų125.764%0.64363%0.634SS**PPolyproline II helixtrans-65.3146.4169.5-68.1-179.4178.1-177.20107.4M414 S418 E419M414-K416 PolarHBondContact O-N 3.36Å; M414-K416 VanDerWaalsContact O-N 3.12Å; K416-S418 WeakPolarHBondContact CB-OG 3.17Å; K416-S418 PolarHBondContact O-N 3.28Å; K416-E419 PolarHBondContact O-N 3.23Å
417H36Very low35.6Very low129 Ų129126.5 Ų126.560%0.59762%0.621SS**G310 helixtrans-46-22172.8-161.4-56000113.7E419 C485H417-E419 VanDerWaalsContact C-N 3.34Å; H417-E419 PolarHBondContact O-N 3.42Å; H417-C485 PolarHBondContact CE1-O 2.83Å; H417-C485 PolarHBondContact CE1-SG 3.06Å
418S39.9Very low35.6Very low100 Ų100124 Ų12470%0.69962%0.615SS**G310 helixtrans-73.3-11175.856.20000116K416K416-S418 WeakPolarHBondContact CB-OG 3.17Å; K416-S418 PolarHBondContact O-N 3.28Å
419E40.7Very low35.4Very low120 Ų120125.6 Ų125.656%0.56163%0.63SS**G310 helixtrans-100.1-8.6-173.6-64.7178.8179.700113.9L415 K416 H417L415-E419 HydrophobicContact CB-CB 4.45Å; L415-E419 HydrophobicContact CD2-CB 3.85Å; L415-E419 WeakPolarHBondContact CD2-OE2 3.22Å; L415-E419 WeakPolarHBondContact CG-OE2 3.14Å; K416-E419 PolarHBondContact O-N 3.23Å; H417-E419 VanDerWaalsContact C-N 3.34Å; H417-E419 PolarHBondContact O-N 3.42Å
420A40.3Very low35.6Very low34 Ų34119.3 Ų119.328%0.28161%0.611SS.*SBendtrans-78.5138.3174.100000110.8K422A420-K422 PolarHBondContact O-N 3.42Å
421P42Very low35.3Very low93 Ų93115.6 Ų115.660%0.60462%0.615SS**  trans-55.4138.4173-22.231.6000110.8N423 S424P421-N423 PolarHBondContact O-N 3.23Å; P421-S424 PolarHBondContact O-N 3.46Å; P421-S424 PolarHBondContact O-OG 2.84Å
422K37.6Very low34.9Very low177 Ų177113.7 Ų113.777%0.7760%0.604SS**THydrogen-bonded Turntrans-52.8-19.3-178.7-73.1-171.2174.6-169.90114.9A420A420-K422 PolarHBondContact O-N 3.42Å
423N37.6Very low34.3Very low161 Ų161113.7 Ų113.786%0.86160%0.598SS**THydrogen-bonded Turntrans-110.218.7-179.1-59.7-9.7000113.6P421P421-N423 PolarHBondContact O-N 3.23Å
424S34.5Very low33.8Very low36 Ų36110.3 Ų110.325%0.25259%0.592SS.*PPolyproline II helixtrans-92.813717659.90000112.1P421P421-S424 PolarHBondContact O-N 3.46Å; P421-S424 PolarHBondContact O-OG 2.84Å
425I34.3Very low33.4Very low79 Ų79112.9 Ų112.941%0.40559%0.592SS.*PPolyproline II helixtrans-103.2126.3167.6-56.6172.8000106.9F427 F456I425-F427 HydrophobicContact CB-CE2 4.02Å; I425-F427 HydrophobicContact CB-CZ 4.07Å; I425-F427 HydrophobicContact CG2-CD1 4.37Å; I425-F427 HydrophobicContact CG2-CD2 4.28Å; I425-F427 HydrophobicContact CG2-CE1 3.77Å; I425-F427 HydrophobicContact CG2-CE2 3.66Å; I425-F427 HydrophobicContact CG2-CZ 3.39Å; I425-F456 HydrophobicContact CD1-CE1 4.29Å; I425-F456 HydrophobicContact CD1-CZ 4.27Å
426M32.2Very low32.9Very low140 Ų140111.9 Ų111.969%0.6959%0.592SS**PPolyproline II helixtrans-92.8137.5169.9-72.8-169.8-5900109.3
427F31.9Very low32.5Very low106 Ų106111.2 Ų111.247%0.46559%0.591SS.*  trans-120.1134.4170.2-55.1-87.2000108.6I425 F456I425-F427 HydrophobicContact CB-CE2 4.02Å; I425-F427 HydrophobicContact CB-CZ 4.07Å; I425-F427 HydrophobicContact CG2-CD1 4.37Å; I425-F427 HydrophobicContact CG2-CD2 4.28Å; I425-F427 HydrophobicContact CG2-CE1 3.77Å; I425-F427 HydrophobicContact CG2-CE2 3.66Å; I425-F427 HydrophobicContact CG2-CZ 3.39Å; F427-F456 HydrophobicContact CE1-CE1 4.06Å; F427-F456 AromaticContact CE1-CE2 3.92Å; F427-F456 HydrophobicContact CE1-CE2 3.92Å; F427-F456 AromaticContact CE1-CZ 3.34Å; F427-F456 HydrophobicContact CE1-CZ 3.34Å; F427-F456 AromaticContact CZ-CE1 3.62Å; F427-F456 HydrophobicContact CZ-CE1 3.62Å; F427-F456 HydrophobicContact CZ-CE2 4.32Å; F427-F456 AromaticContact CZ-CZ 3.32Å; F427-F456 HydrophobicContact CZ-CZ 3.32Å
428G30.2Very low32.3Very low47 Ų47114.5 Ų114.549%0.48560%0.599SS.*  trans-106.3137.3164.200000109.3
429L28.5Very low31.7Very low135 Ų135112.6 Ų112.671%0.70759%0.59SS**  trans-98.3117.9170.9-78161.6000108.2V478 L480L429-V478 HydrophobicContact CD2-CG1 3.74Å; L429-L480 HydrophobicContact CD2-CD2 4.19Å
430H30.8Very low31.3Very low106 Ų106114.4 Ų114.449%0.49160%0.596SS.*  trans-100.3130.3165-85.5-81.1000109
431G26.3Very low31.4Very low59 Ų59115.5 Ų115.561%0.60860%0.597SS**  trans-115.8123.2175.400000111.2
432L25.9Very low31.1Very low104 Ų104117.4 Ų117.455%0.54560%0.602SS.*  trans-96.5141.4167.3-99.3141.1000108.7N476L432-N476 PolarHBondContact O-OD1 3.23Å
433H25.8Very low30.9Very low180 Ų180110.9 Ų110.983%0.83358%0.579SS**  trans-113.6122.5-163.4-138.6-45.7000112.8
434V27.1Very low30.9Very low99 Ų99107.6 Ų107.660%0.656%0.56SS**  trans-142.6167.3168-170.60000110T473V434-T473 CarbonylContact C-O 3.49Å
435R25.8Very low30.8Very low219 Ų219109.6 Ų109.683%0.82656%0.563SS**  trans-119.7164.6-153.9-81.7-167-169.6173.64.6120.8T473R435-T473 VanDerWaalsContact C-C 3.44Å; R435-T473 VanDerWaalsContact C-CG2 3.47Å; R435-T473 CarbonylContact C-O 3.6Å; R435-T473 WeakPolarHBondContact CA-O 3.5Å; R435-T473 PolarHBondContact N-O 2.84Å; R435-T473 CarbonylContact O-C 3.49Å; R435-T473 WeakPolarHBondContact O-CA 3.45Å
436P27.7Very low30.9Very low78 Ų78108 Ų10851%0.50656%0.558SS.*  trans-99.3150.3-145.24.116.1000127.6N472 T473P436-N472 CarbonylContact C-O 3.59Å; P436-T473 HydrophobicContact CB-CG2 3.04Å; P436-T473 HydrophobicContact CG-CG2 3.21Å; P436-T473 VanDerWaalsContact N-CG2 3.29Å
437E28Very low31.1Very low133 Ų133103.1 Ų103.162%0.62154%0.535SS*.  trans169.8128.4143.8-84.6143-145.700118.9N472E437-N472 CarbonylContact C-O 3.42Å; E437-N472 PolarHBondContact N-O 3.27Å; E437-N472 CarbonylContact O-C 3.5Å; E437-N472 WeakPolarHBondContact O-CA 3.24Å; E437-N472 WeakPolarHBondContact O-CB 3.27Å
438Y31.6Very low31.5Very low198 Ų198102 Ų10278%0.77654%0.537SS*.  trans101.491174.5-48.1-61.7000129.2N472Y438-N472 WeakPolarHBondContact CA-ND2 3.47Å; Y438-N472 PolarHBondContact N-ND2 2.57Å; Y438-N472 VanDerWaalsContact O-CB 3.27Å; Y438-N472 WeakPolarHBondContact O-CB 3.45Å; Y438-N472 PolarHBondContact O-OD1 3.19Å
439A26.7Very low31.9Very low60 Ų60103.9 Ų103.950%0.49653%0.534SS..  trans-68.2179.8-160.200000123.7N472A439-N472 WeakPolarHBondContact CA-OD1 3.43Å; A439-N472 VanDerWaalsContact N-CG 3.26Å; A439-N472 PolarHBondContact N-ND2 3.3Å; A439-N472 PolarHBondContact N-OD1 2.59Å; A439-N472 VanDerWaalsContact N-OD1 3.12Å
440F33.2Very low32.6Very low158 Ų158100 Ų10069%0.69352%0.522SS*.  trans107.5133.2162.8-65.3-77.8000118.1R470F440-R470 WeakPolarHBondContact O-CD 3.39Å; F440-R470 PolarHBondContact O-NH1 3.04Å
441N42Very low33Very low58 Ų5898.7 Ų98.731%0.3151%0.514SS..  cis-160.5137.79.7-176.8-6.7000110.5D232 Y445D232-N441 PolarHBondContact OD1-ND2 3.28Å; D232-N441 PolarHBondContact OD2-ND2 3.47Å; N441-Y445 WeakPolarHBondContact O-CD2 3.41Å
442D34.8Very low33.8Very low133 Ų13398.1 Ų98.171%0.71150%0.495SS*.Hα-helixtrans-83.1-11.3-164.2-69.9-33.8000116.8S446D442-S446 PolarHBondContact O-N 3.37Å; D442-S446 PolarHBondContact O-OG 3.26Å
443S34.1Very low34.7Very low39 Ų3997.3 Ų97.327%0.27349%0.49SS..Hα-helixtrans-74.6-40.5-174.656.10000113.4D232 S446 I447D232-S443 PolarHBondContact OD2-OG 2.82Å; S443-S446 PolarHBondContact O-N 3.31Å; S443-I447 PolarHBondContact O-N 3.46Å
444I36.8Very low35.5Very low93 Ų9391.4 Ų91.448%0.47746%0.463SS..Hα-helixtrans-69.4-42.3-179.6-63.2173.9000110.5S446 I447 V448I444-S446 VanDerWaalsContact C-N 3.29Å; I444-S446 PolarHBondContact O-N 2.99Å; I444-I447 PolarHBondContact O-N 2.91Å; I444-V448 HydrophobicContact CG2-CG2 4.4Å; I444-V448 WeakPolarHBondContact O-CG2 3.5Å; I444-V448 PolarHBondContact O-N 3.45Å
445Y34.2Very low36.3Very low78 Ų7890.2 Ų90.231%0.30646%0.459SS..Hα-helixtrans-62.9-36.4176.4-73.3-70.7000112.5N441 I447 M449 E469 R470N441-Y445 WeakPolarHBondContact O-CD2 3.41Å; Y445-I447 VanDerWaalsContact C-N 3.34Å; Y445-I447 PolarHBondContact O-N 3.46Å; Y445-M449 WeakPolarHBondContact O-CB 3.28Å; Y445-M449 PolarHBondContact O-N 3.02Å; Y445-E469 WeakPolarHBondContact CE1-O 3.29Å; Y445-E469 WeakPolarHBondContact CE2-O 3.35Å; Y445-E469 PolarHBondContact OH-O 3.39Å; Y445-R470 HydrophobicContact CE2-CB 3.96Å; Y445-R470 WeakPolarHBondContact OH-CB 3.45Å
446S35.1Very low37.1Very low44 Ų4482.7 Ų82.731%0.30843%0.433SS..Hα-helixtrans-63.9-39.1176.4-57.50000112.1D442 S443 I444 A450D442-S446 PolarHBondContact O-N 3.37Å; D442-S446 PolarHBondContact O-OG 3.26Å; S443-S446 PolarHBondContact O-N 3.31Å; I444-S446 VanDerWaalsContact C-N 3.29Å; I444-S446 PolarHBondContact O-N 2.99Å; S446-A450 WeakPolarHBondContact O-CB 3.16Å; S446-A450 PolarHBondContact O-N 3Å
447I37Very low37.9Very low38 Ų3880.3 Ų80.320%0.19542%0.417CS..Hα-helixtrans-74.4-43.7179.1-64.9169.2000110.9T309 S443 I444 Y445 M449 A450 K451T309-I447 HydrophobicContact CG2-CD1 4.29Å; S443-I447 PolarHBondContact O-N 3.46Å; I444-I447 PolarHBondContact O-N 2.91Å; Y445-I447 VanDerWaalsContact C-N 3.34Å; Y445-I447 PolarHBondContact O-N 3.46Å; I447-M449 VanDerWaalsContact C-N 3.35Å; I447-A450 PolarHBondContact O-N 3.28Å; I447-K451 HydrophobicContact CG2-CD 4.14Å; I447-K451 HydrophobicContact CG2-CG 4.47Å; I447-K451 WeakPolarHBondContact O-CB 3.14Å; I447-K451 WeakPolarHBondContact O-CG 3.49Å; I447-K451 PolarHBondContact O-N 2.48Å
448V40.2Very low38.6Very low84 Ų8481.7 Ų81.751%0.50942%0.421SS..Hα-helixtrans-62.8-43.8175.2174.80000110.3I444 K451 F452I444-V448 HydrophobicContact CG2-CG2 4.4Å; I444-V448 WeakPolarHBondContact O-CG2 3.5Å; I444-V448 PolarHBondContact O-N 3.45Å; V448-K451 PolarHBondContact O-N 3.11Å; V448-F452 WeakPolarHBondContact O-CB 3.45Å; V448-F452 PolarHBondContact O-N 2.83Å
449M39.1Very low38.9Very low86 Ų8676.4 Ų76.442%0.42441%0.412SS..Hα-helixtrans-66.2-40.9176.2-165.88081.300111.7Y445 I447 F452 I453Y445-M449 WeakPolarHBondContact O-CB 3.28Å; Y445-M449 PolarHBondContact O-N 3.02Å; I447-M449 VanDerWaalsContact C-N 3.35Å; M449-F452 PolarHBondContact O-N 3.41Å; M449-I453 HydrophobicContact CG-CD1 3.9Å; M449-I453 HydrophobicContact CG-CG1 4.49Å; M449-I453 WeakPolarHBondContact O-CB 3.18Å; M449-I453 WeakPolarHBondContact O-CD1 3.34Å; M449-I453 WeakPolarHBondContact O-CG1 3.46Å; M449-I453 PolarHBondContact O-N 3.43Å
450A41.9Very low39.3Very low54 Ų5480.2 Ų80.245%0.44642%0.424SS..Hα-helixtrans-65.4-43.3176.100000111.9S446 I447 I453 Q454S446-A450 WeakPolarHBondContact O-CB 3.16Å; S446-A450 PolarHBondContact O-N 3Å; I447-A450 PolarHBondContact O-N 3.28Å; A450-I453 PolarHBondContact O-N 3.27Å; A450-Q454 VanDerWaalsContact O-CB 3.28Å; A450-Q454 WeakPolarHBondContact O-CB 3.3Å; A450-Q454 PolarHBondContact O-N 3.38Å
451K40.6Very low39.3Very low78 Ų7883.1 Ų83.134%0.33943%0.43SS..Hα-helixtrans-64.9-40.8174.1-75.7-179.5176-179.90111.5I447 V448 Q454 S455I447-K451 HydrophobicContact CG2-CD 4.14Å; I447-K451 HydrophobicContact CG2-CG 4.47Å; I447-K451 WeakPolarHBondContact O-CB 3.14Å; I447-K451 WeakPolarHBondContact O-CG 3.49Å; I447-K451 PolarHBondContact O-N 2.48Å; V448-K451 PolarHBondContact O-N 3.11Å; K451-Q454 PolarHBondContact O-N 2.76Å; K451-S455 WeakPolarHBondContact O-CB 3.48Å; K451-S455 PolarHBondContact O-N 2.83Å; K451-S455 PolarHBondContact O-OG 3.19Å
452F42.7Very low39Very low47 Ų4786.7 Ų86.721%0.20645%0.449CS..Hα-helixtrans-61.4-46.5173.6177.5-96.8000111.2V448 M449 S455 F456 A464 C466V448-F452 WeakPolarHBondContact O-CB 3.45Å; V448-F452 PolarHBondContact O-N 2.83Å; M449-F452 PolarHBondContact O-N 3.41Å; F452-S455 PolarHBondContact O-N 2.79Å; F452-F456 WeakPolarHBondContact O-CA 3.19Å; F452-F456 WeakPolarHBondContact O-CB 3.35Å; F452-F456 PolarHBondContact O-N 3.02Å; F452-A464 HydrophobicContact CE2-CB 3.56Å; F452-A464 HydrophobicContact CZ-CB 3.41Å; F452-A464 VanDerWaalsContact CZ-CB 3.41Å; F452-C466 VanDerWaalsContact CD2-SG 3.56Å; F452-C466 HydrophobicContact CE2-CB 4.36Å; F452-C466 VanDerWaalsContact CE2-SG 3.52Å; F452-C466 HydrophobicContact CZ-CB 4.16Å
453I43.6Very low39Very low86 Ų8683.1 Ų83.144%0.44143%0.434SS..Hα-helixtrans-64.6-40.2175.9-69.4165.7000110.7M449 A450 F456 T457M449-I453 HydrophobicContact CG-CD1 3.9Å; M449-I453 HydrophobicContact CG-CG1 4.49Å; M449-I453 WeakPolarHBondContact O-CB 3.18Å; M449-I453 WeakPolarHBondContact O-CD1 3.34Å; M449-I453 WeakPolarHBondContact O-CG1 3.46Å; M449-I453 PolarHBondContact O-N 3.43Å; A450-I453 PolarHBondContact O-N 3.27Å; I453-F456 WeakPolarHBondContact O-CB 3.5Å; I453-F456 PolarHBondContact O-N 3.13Å; I453-T457 HydrophobicContact CG2-CG2 4.38Å; I453-T457 WeakPolarHBondContact O-CG2 3.47Å; I453-T457 PolarHBondContact O-N 2.79Å; I453-T457 PolarHBondContact O-OG1 2.9Å
454Q43.2Very low39.1Very low57 Ų5782.8 Ų82.827%0.26643%0.433SS..Hα-helixtrans-67.1-41.4178.5-160.8-178.91600111.2E314 A450 K451 T457E314-Q454 PolarHBondContact OE1-NE2 3.33Å; A450-Q454 VanDerWaalsContact O-CB 3.28Å; A450-Q454 WeakPolarHBondContact O-CB 3.3Å; A450-Q454 PolarHBondContact O-N 3.38Å; K451-Q454 PolarHBondContact O-N 2.76Å; Q454-T457 PolarHBondContact O-N 2.79Å; Q454-T457 PolarHBondContact O-OG1 2.84Å
455S44.3Very low38.9Very low74 Ų7483 Ų8352%0.51744%0.439SS..Hα-helixtrans-66.5-41.2171.2-66.90000112.1K451 F452 T457 K458 C459K451-S455 WeakPolarHBondContact O-CB 3.48Å; K451-S455 PolarHBondContact O-N 2.83Å; K451-S455 PolarHBondContact O-OG 3.19Å; F452-S455 PolarHBondContact O-N 2.79Å; S455-T457 VanDerWaalsContact C-N 3.25Å; S455-T457 PolarHBondContact O-N 2.91Å; S455-K458 PolarHBondContact O-N 3.02Å; S455-C459 PolarHBondContact O-N 2.78Å
456F43Very low38.9Very low60 Ų6080.8 Ų80.826%0.26344%0.435SS..Hα-helixtrans-57.6-36.5173.7170.6-87.5000111.9I425 F427 F452 I453 K458I425-F456 HydrophobicContact CD1-CE1 4.29Å; I425-F456 HydrophobicContact CD1-CZ 4.27Å; F427-F456 HydrophobicContact CE1-CE1 4.06Å; F427-F456 AromaticContact CE1-CE2 3.92Å; F427-F456 HydrophobicContact CE1-CE2 3.92Å; F427-F456 AromaticContact CE1-CZ 3.34Å; F427-F456 HydrophobicContact CE1-CZ 3.34Å; F427-F456 AromaticContact CZ-CE1 3.62Å; F427-F456 HydrophobicContact CZ-CE1 3.62Å; F427-F456 HydrophobicContact CZ-CE2 4.32Å; F427-F456 AromaticContact CZ-CZ 3.32Å; F427-F456 HydrophobicContact CZ-CZ 3.32Å; F452-F456 WeakPolarHBondContact O-CA 3.19Å; F452-F456 WeakPolarHBondContact O-CB 3.35Å; F452-F456 PolarHBondContact O-N 3.02Å; I453-F456 WeakPolarHBondContact O-CB 3.5Å; I453-F456 PolarHBondContact O-N 3.13Å; F456-K458 VanDerWaalsContact C-N 3.26Å; F456-K458 PolarHBondContact O-N 3.45Å
457T44.3Very low38.6Very low28 Ų2883.7 Ų83.717%0.17245%0.45CS..THydrogen-bonded Turntrans-76.5-10178.462.70000114.6R366 M368 I453 Q454 S455R366-T457 PolarHBondContact NH1-O 3.42Å; M368-T457 HydrophobicContact CE-CG2 3.62Å; I453-T457 HydrophobicContact CG2-CG2 4.38Å; I453-T457 WeakPolarHBondContact O-CG2 3.47Å; I453-T457 PolarHBondContact O-N 2.79Å; I453-T457 PolarHBondContact O-OG1 2.9Å; Q454-T457 PolarHBondContact O-N 2.79Å; Q454-T457 PolarHBondContact O-OG1 2.84Å; S455-T457 VanDerWaalsContact C-N 3.25Å; S455-T457 PolarHBondContact O-N 2.91Å
458K42Very low38.3Very low162 Ų16284.2 Ų84.270%0.70446%0.461SS*.THydrogen-bonded Turntrans-102.9-13.4179.8-70.3179.1-179.5177.40114S455 F456S455-K458 PolarHBondContact O-N 3.02Å; F456-K458 VanDerWaalsContact C-N 3.26Å; F456-K458 PolarHBondContact O-N 3.45Å
459C37.3Very low37.7Very low87 Ų8786.6 Ų86.659%0.58847%0.466SS*.  trans-102.2120.3-179.4-70.50000111.8S455 R461S455-C459 PolarHBondContact O-N 2.78Å; C459-R461 PolarHBondContact O-N 3.35Å
460D35.7Very low37.2Very low140 Ų14090.1 Ų90.175%0.74948%0.475SS*.SBendtrans-74.3-11.7178.3-70.1-32.1000113.7
461R34.4Very low36.7Very low219 Ų21990.4 Ų90.483%0.82647%0.474SS*.SBendtrans-158.397.1-174-62.6-176.9176.1178.7-2.5111.4C459C459-R461 PolarHBondContact O-N 3.35Å
462L34.7Very low36.1Very low134 Ų13489.5 Ų89.570%0.70247%0.472SS*.  trans-176.1142.6148-13482.1000112.4
463S35.6Very low35.5Very low58 Ų5888.8 Ų88.841%0.40647%0.472SS..  trans-72130.6164.3-49.50000109.6
464A34.7Very low34.8Very low31 Ų3186.3 Ų86.326%0.25647%0.468SS..EExtended strand (participates in β ladder)trans-119.2129.9-179.300000110.7F452F452-A464 HydrophobicContact CE2-CB 3.56Å; F452-A464 HydrophobicContact CZ-CB 3.41Å; F452-A464 VanDerWaalsContact CZ-CB 3.41Å
465V32.8Very low34.4Very low99 Ų9987.4 Ų87.460%0.648%0.481SS*.EExtended strand (participates in β ladder)trans-93.2115.9172179.30000106.5
466C33.9Very low33.8Very low31 Ų3187.8 Ų87.821%0.20948%0.478CS..EExtended strand (participates in β ladder)trans-105.7121.7171.1-121.30000108F452F452-C466 VanDerWaalsContact CD2-SG 3.56Å; F452-C466 HydrophobicContact CE2-CB 4.36Å; F452-C466 VanDerWaalsContact CE2-SG 3.52Å; F452-C466 HydrophobicContact CZ-CB 4.16Å
467T29Very low33.3Very low104 Ų10489 Ų8964%0.63849%0.487SS*.  trans-88129.8163.147.40000108.1
468A31.5Very low32.8Very low50 Ų5089.9 Ų89.941%0.41349%0.492SS..  trans-123.410416400000107.1
469E27.9Very low32.4Very low133 Ų13384 Ų8462%0.62147%0.47SS*.  trans-67.3165.8139.6-78.7-177.6137.600106.5Y445Y445-E469 WeakPolarHBondContact CE1-O 3.29Å; Y445-E469 WeakPolarHBondContact CE2-O 3.35Å; Y445-E469 PolarHBondContact OH-O 3.39Å
470R29Very low32.2Very low161 Ų16182 Ų8261%0.60845%0.453SS*.  cis-154.711633.2-169.2165.3-178-146.620.1106.7F440 Y445F440-R470 WeakPolarHBondContact O-CD 3.39Å; F440-R470 PolarHBondContact O-NH1 3.04Å; Y445-R470 HydrophobicContact CE2-CB 3.96Å; Y445-R470 WeakPolarHBondContact OH-CB 3.45Å
471S30.5Very low32.1Very low60 Ų6078.5 Ų78.542%0.4243%0.431SS..SBendtrans-159.6113.1134.6139.20000105.5T473S471-T473 VanDerWaalsContact C-OG1 3.31Å; S471-T473 WeakPolarHBondContact O-CA 2.95Å; S471-T473 WeakPolarHBondContact O-CB 3.35Å; S471-T473 PolarHBondContact O-N 3.47Å; S471-T473 PolarHBondContact O-OG1 3.22Å; S471-T473 PolarHBondContact OG-OG1 2.89Å
472N28.8Very low32.1Very low59 Ų5969.2 Ų69.232%0.31640%0.403SS..SBendtrans43.6-4.1136.21.8-35.3000123.2P436 E437 Y438 A439P436-N472 CarbonylContact C-O 3.59Å; E437-N472 CarbonylContact C-O 3.42Å; E437-N472 PolarHBondContact N-O 3.27Å; E437-N472 CarbonylContact O-C 3.5Å; E437-N472 WeakPolarHBondContact O-CA 3.24Å; E437-N472 WeakPolarHBondContact O-CB 3.27Å; Y438-N472 WeakPolarHBondContact CA-ND2 3.47Å; Y438-N472 PolarHBondContact N-ND2 2.57Å; Y438-N472 VanDerWaalsContact O-CB 3.27Å; Y438-N472 WeakPolarHBondContact O-CB 3.45Å; Y438-N472 PolarHBondContact O-OD1 3.19Å; A439-N472 WeakPolarHBondContact CA-OD1 3.43Å; A439-N472 VanDerWaalsContact N-CG 3.26Å; A439-N472 PolarHBondContact N-ND2 3.3Å; A439-N472 PolarHBondContact N-OD1 2.59Å; A439-N472 VanDerWaalsContact N-OD1 3.12Å
473T28.9Very low32.4Very low31 Ų3166.7 Ų66.719%0.1939%0.385CS..SBendtrans-146.616.5-143.944.80000114.5V434 R435 P436 S471V434-T473 CarbonylContact C-O 3.49Å; R435-T473 VanDerWaalsContact C-C 3.44Å; R435-T473 VanDerWaalsContact C-CG2 3.47Å; R435-T473 CarbonylContact C-O 3.6Å; R435-T473 WeakPolarHBondContact CA-O 3.5Å; R435-T473 PolarHBondContact N-O 2.84Å; R435-T473 CarbonylContact O-C 3.49Å; R435-T473 WeakPolarHBondContact O-CA 3.45Å; P436-T473 HydrophobicContact CB-CG2 3.04Å; P436-T473 HydrophobicContact CG-CG2 3.21Å; P436-T473 VanDerWaalsContact N-CG2 3.29Å; S471-T473 VanDerWaalsContact C-OG1 3.31Å; S471-T473 WeakPolarHBondContact O-CA 2.95Å; S471-T473 WeakPolarHBondContact O-CB 3.35Å; S471-T473 PolarHBondContact O-N 3.47Å; S471-T473 PolarHBondContact O-OG1 3.22Å; S471-T473 PolarHBondContact OG-OG1 2.89Å
474G29.4Very low32.5Very low35 Ų3569.3 Ų69.336%0.36139%0.39SS..  trans85.5132.1-16600000109.9
475S34Very low32.6Very low79 Ų7969.5 Ų69.555%0.55239%0.39SS*.  trans-83.3133.4-178.2-47.50000109.4
476N32.3Very low32.9Very low83 Ų8372 Ų7244%0.44440%0.395SS..  trans-89.1112.7166.8-65.9-21.1000108.1L432 V478L432-N476 PolarHBondContact O-OD1 3.23Å; N476-V478 PolarHBondContact O-N 3.41Å
477L32.6Very low33.3Very low85 Ų8573 Ų7345%0.44540%0.402SS..  trans-70.6107.8165.3-179.573.4000108.1V479L477-V479 HydrophobicContact CD1-CG2 4.33Å; L477-V479 HydrophobicContact CD2-CG2 3.91Å; L477-V479 HydrophobicContact CG-CG2 3.8Å
478V33.8Very low33.3Very low47 Ų4773.6 Ų73.629%0.28542%0.417SS..EExtended strand (participates in β ladder)trans-103106.9171.1-178.20000108.4L429 N476 L480L429-V478 HydrophobicContact CD2-CG1 3.74Å; N476-V478 PolarHBondContact O-N 3.41Å; V478-L480 HydrophobicContact CG1-CD2 4.21Å; V478-L480 HydrophobicContact CG1-CG 4.26Å
479V33.6Very low33.4Very low39 Ų3973.9 Ų73.924%0.23642%0.42CS..EExtended strand (participates in β ladder)trans-95.1115.6173.8-163.40000108.4L477 F481L477-V479 HydrophobicContact CD1-CG2 4.33Å; L477-V479 HydrophobicContact CD2-CG2 3.91Å; L477-V479 HydrophobicContact CG-CG2 3.8Å; V479-F481 HydrophobicContact CB-CE2 3.76Å; V479-F481 HydrophobicContact CB-CZ 4.39Å; V479-F481 HydrophobicContact CG1-CD2 4.05Å; V479-F481 HydrophobicContact CG1-CE1 4.4Å; V479-F481 HydrophobicContact CG1-CE2 3.17Å; V479-F481 HydrophobicContact CG1-CZ 3.38Å
480L33.2Very low33.5Very low45 Ų4573.2 Ų73.224%0.23643%0.43CS..EExtended strand (participates in β ladder)trans-96.6115175.7-67.6174000109.8L429 V478L429-L480 HydrophobicContact CD2-CD2 4.19Å; V478-L480 HydrophobicContact CG1-CD2 4.21Å; V478-L480 HydrophobicContact CG1-CG 4.26Å
481F34.1Very low33.4Very low65 Ų6570.4 Ų70.429%0.28543%0.426SS..  trans-98.3116.3167.4-64.3-87.5000108.9V479 W483 L493V479-F481 HydrophobicContact CB-CE2 3.76Å; V479-F481 HydrophobicContact CB-CZ 4.39Å; V479-F481 HydrophobicContact CG1-CD2 4.05Å; V479-F481 HydrophobicContact CG1-CE1 4.4Å; V479-F481 HydrophobicContact CG1-CE2 3.17Å; V479-F481 HydrophobicContact CG1-CZ 3.38Å; F481-W483 HydrophobicContact CB-CE3 4.1Å; F481-W483 HydrophobicContact CB-CZ3 3.77Å; F481-W483 HydrophobicContact CD1-CH2 4.06Å; F481-W483 AromaticContact CD1-CZ3 3.86Å; F481-W483 HydrophobicContact CD1-CZ3 3.86Å; F481-W483 HydrophobicContact CG-CZ3 4.08Å; F481-L493 HydrophobicContact CD2-CD1 4.21Å; F481-L493 HydrophobicContact CE1-CD1 4.47Å; F481-L493 HydrophobicContact CE2-CD1 3.15Å; F481-L493 HydrophobicContact CE2-CG 4.16Å; F481-L493 HydrophobicContact CZ-CD1 3.33Å; F481-L493 HydrophobicContact CZ-CG 4.29Å
482G33.9Very low33.3Very low24 Ų2473.2 Ų73.225%0.24744%0.444CS..  trans-105.5123.3167.800000109.6
483W40.5Very low33.3Very low81 Ų8172.9 Ų72.931%0.30744%0.442SS..  trans-118.4140.5170.4-98.8-70000110.5F481 I491F481-W483 HydrophobicContact CB-CE3 4.1Å; F481-W483 HydrophobicContact CB-CZ3 3.77Å; F481-W483 HydrophobicContact CD1-CH2 4.06Å; F481-W483 AromaticContact CD1-CZ3 3.86Å; F481-W483 HydrophobicContact CD1-CZ3 3.86Å; F481-W483 HydrophobicContact CG-CZ3 4.08Å; W483-I491 HydrophobicContact CH2-CB 3.63Å; W483-I491 HydrophobicContact CH2-CD1 3.67Å; W483-I491 HydrophobicContact CH2-CG1 3.5Å; W483-I491 VanDerWaalsContact CH2-CG1 3.5Å; W483-I491 HydrophobicContact CZ2-CD1 4.01Å; W483-I491 HydrophobicContact CZ2-CG1 3.97Å; W483-I491 HydrophobicContact CZ3-CB 4.11Å; W483-I491 HydrophobicContact CZ3-CG1 4.4Å
484Q37.7Very low33.1Very low113 Ų11377.3 Ų77.353%0.52846%0.464SS..  trans-65.3137.3160.5-82.6-175.5-2700108.9E486 S487Q484-E486 PolarHBondContact O-N 3.1Å; Q484-S487 WeakPolarHBondContact O-CB 3.47Å; Q484-S487 PolarHBondContact O-N 2.97Å; Q484-S487 PolarHBondContact O-OG 3.41Å; Q484-S487 VanDerWaalsContact O-OG 3.12Å
485C37.7Very low33.1Very low36 Ų3682 Ų8224%0.24348%0.477CS..THydrogen-bonded Turntrans-50.6-19.5174.6-102.80000114H417H417-C485 PolarHBondContact CE1-O 2.83Å; H417-C485 PolarHBondContact CE1-SG 3.06Å
486E38.8Very low32.9Very low152 Ų15282.9 Ų82.971%0.7147%0.473SS*.THydrogen-bonded Turntrans-88.1-2-179.3-58.2-172.7167.500113.4Q484Q484-E486 PolarHBondContact O-N 3.1Å
487S42.3Very low32.9Very low52 Ų5283.4 Ų83.436%0.36448%0.475SS..  trans-91.7106-179.6-46.60000111.2Q484 A489Q484-S487 WeakPolarHBondContact O-CB 3.47Å; Q484-S487 PolarHBondContact O-N 2.97Å; Q484-S487 PolarHBondContact O-OG 3.41Å; Q484-S487 VanDerWaalsContact O-OG 3.12Å; S487-A489 PolarHBondContact O-N 3.24Å
488A29.3Very low32.8Very low115 Ų11585 Ų8595%0.9549%0.493SS*.  trans-71.732.3-176.600000115.9
489A32.2Very low32.5Very low56 Ų5689.3 Ų89.346%0.46351%0.508SS..  trans-131.598.5179.300000110.8S487S487-A489 PolarHBondContact O-N 3.24Å
490S30Very low32.4Very low120 Ų12091.4 Ų91.484%0.83952%0.523SS*.  trans-84.2112.6167.1510000109.3
491I28Very low32.3Very low101 Ų10198.7 Ų98.752%0.51855%0.553SS.*  trans-91.5115166.8-58.6-174000107.9W483 L493W483-I491 HydrophobicContact CH2-CB 3.63Å; W483-I491 HydrophobicContact CH2-CD1 3.67Å; W483-I491 HydrophobicContact CH2-CG1 3.5Å; W483-I491 VanDerWaalsContact CH2-CG1 3.5Å; W483-I491 HydrophobicContact CZ2-CD1 4.01Å; W483-I491 HydrophobicContact CZ2-CG1 3.97Å; W483-I491 HydrophobicContact CZ3-CB 4.11Å; W483-I491 HydrophobicContact CZ3-CG1 4.4Å; I491-L493 HydrophobicContact CG2-CD2 4.11Å; I491-L493 HydrophobicContact CG2-CG 4.39Å
492C28Very low32.4Very low119 Ų119104.8 Ų104.880%0.80458%0.582SS**  trans-90117173.3-163.30000108.3
493L28.3Very low32.8Very low53 Ų53108 Ų10828%0.27759%0.593SS.*  trans-99.8106.2172.1-68.4-174.7000109.2F481 I491 L497F481-L493 HydrophobicContact CD2-CD1 4.21Å; F481-L493 HydrophobicContact CE1-CD1 4.47Å; F481-L493 HydrophobicContact CE2-CD1 3.15Å; F481-L493 HydrophobicContact CE2-CG 4.16Å; F481-L493 HydrophobicContact CZ-CD1 3.33Å; F481-L493 HydrophobicContact CZ-CG 4.29Å; I491-L493 HydrophobicContact CG2-CD2 4.11Å; I491-L493 HydrophobicContact CG2-CG 4.39Å; L493-L497 HydrophobicContact CD1-CD1 4.46Å
494N26.3Very low32.7Very low123 Ų123110.5 Ų110.566%0.65861%0.613SS**  trans-90.7158.5173.5-161.3-2.1000110.7E496N494-E496 PolarHBondContact O-N 3.38Å
495E28.2Very low33.2Very low133 Ų133106.4 Ų106.462%0.62160%0.598SS**SBendtrans-63.919.1-170.2-75.1-176.5145.100117.1
496E29.3Very low33.4Very low99 Ų99113.6 Ų113.646%0.46363%0.625SS.*  trans-109.720.2-177.1-77.2-112.213400114.2N494 S498 K499N494-E496 PolarHBondContact O-N 3.38Å; E496-S498 PolarHBondContact O-N 3.02Å; E496-K499 PolarHBondContact O-N 3.06Å; E496-K499 IonicContact OE1-NZ 3.78Å; E496-K499 PolarHBondContact OE1-NZ 3.36Å; E496-K499 IonicContact OE2-NZ 3.49Å
497L32.5Very low34Very low93 Ų93111.1 Ų111.149%0.48762%0.617SS.*THydrogen-bonded Turntrans-59.3-15-176.4-87.9163.2000115.6L493 K499L493-L497 HydrophobicContact CD1-CD1 4.46Å; L497-K499 VanDerWaalsContact C-N 3.32Å
498S30.3Very low34.6Very low118 Ų118116.3 Ų116.383%0.82563%0.629SS**THydrogen-bonded Turntrans-80.3-9.7171.962.30000114.1E496E496-S498 PolarHBondContact O-N 3.02Å
499K29.3Very low35.4Very low139 Ų139115.3 Ų115.360%0.60461%0.605SS**THydrogen-bonded Turntrans-115.9-14.8-176.6-64.4-177.3-165.7155.50114.9E496 L497 K501E496-K499 PolarHBondContact O-N 3.06Å; E496-K499 IonicContact OE1-NZ 3.78Å; E496-K499 PolarHBondContact OE1-NZ 3.36Å; E496-K499 IonicContact OE2-NZ 3.49Å; L497-K499 VanDerWaalsContact C-N 3.32Å; K499-K501 PolarHBondContact O-N 3.34Å
500C30.7Very low36.1Very low83 Ų83114.6 Ų114.656%0.56160%0.599SS**  trans-81.788.4-178.9-75.40000112.3E502C500-E502 PolarHBondContact O-N 3.05Å
501K30.9Very low37.2Very low197 Ų197111.6 Ų111.686%0.85757%0.573SS**  trans-68.4119.3153.7-69.8178.6178.9178.80107.4K499K499-K501 PolarHBondContact O-N 3.34Å
502E36Very low38.6Very low193 Ų193111.5 Ų111.590%0.90257%0.569SS**  trans82102.9175.2-57.6177.5165.300116.4C500C500-E502 PolarHBondContact O-N 3.05Å
503I42Very low39.5Very low91 Ų91109.4 Ų109.447%0.46755%0.552SS.*  trans-99.5121.8157.3-64.4177.9000107A505 W514I503-A505 VanDerWaalsContact C-N 3.27Å; I503-A505 PolarHBondContact O-N 2.9Å; I503-W514 HydrophobicContact CD1-CZ2 3.97Å
504D39.6Very low40.7Very low135 Ų135112.9 Ų112.972%0.72256%0.562SS**  trans-7374.6-179-162.122.5000110.5K506D504-K506 PolarHBondContact O-N 3.3Å
505A47Very low42.3Very low27 Ų27114.6 Ų114.622%0.22356%0.559CS.*  trans-74.2108.4172.900000109.3I503 A510 I511I503-A505 VanDerWaalsContact C-N 3.27Å; I503-A505 PolarHBondContact O-N 2.9Å; A505-A510 HydrophobicContact CB-CB 4.18Å; A505-I511 HydrophobicContact CB-CG1 3.86Å; A505-I511 WeakPolarHBondContact O-CD1 3.17Å; A505-I511 WeakPolarHBondContact O-CG1 3.35Å
506K43.6Very low43.5Very low186 Ų186113.6 Ų113.681%0.80956%0.557SS**  trans-82-14.3-178.3-65.6-174.4179.2-179.50114.7D504D504-K506 PolarHBondContact O-N 3.3Å
507D51Low44.3Very low100 Ų100110.5 Ų110.554%0.53555%0.549SS..SBendtrans-98.5130.7179.7-173-10.9000110.2E509 A510 I511D507-E509 PolarHBondContact O-N 3.32Å; D507-E509 PolarHBondContact OD1-N 3.37Å; D507-A510 HydrophobicContact CB-CB 3.99Å; D507-A510 WeakPolarHBondContact O-CB 3.24Å; D507-A510 PolarHBondContact O-N 3.26Å; D507-A510 VanDerWaalsContact O-N 3.09Å; D507-I511 WeakPolarHBondContact O-CG1 3.38Å; D507-I511 PolarHBondContact O-N 3.36Å
508Y53.4Low45.5Very low161 Ų161112.7 Ų112.763%0.63156%0.555SS**Hα-helixtrans-54.7-39.2177-179.4-95.4000112.1I511 K512Y508-I511 PolarHBondContact O-N 2.77Å; Y508-K512 WeakPolarHBondContact O-CB 3.4Å; Y508-K512 PolarHBondContact O-N 3.37Å
509E47.5Very low46.9Very low94 Ų94111.7 Ų111.744%0.43954%0.54SS..Hα-helixtrans-71.1-37.5178.3-72.8-57.9141.400111.5D507 I511 K512 V513D507-E509 PolarHBondContact O-N 3.32Å; D507-E509 PolarHBondContact OD1-N 3.37Å; E509-I511 PolarHBondContact O-N 2.68Å; E509-K512 PolarHBondContact O-N 2.85Å; E509-V513 WeakPolarHBondContact O-CG2 3.39Å; E509-V513 PolarHBondContact O-N 3.09Å
510A46.2Very low47.9Very low41 Ų41108.9 Ų108.934%0.33953%0.534SS..Hα-helixtrans-63.5-41.3173.100000111.5A505 D507 W514A505-A510 HydrophobicContact CB-CB 4.18Å; D507-A510 HydrophobicContact CB-CB 3.99Å; D507-A510 WeakPolarHBondContact O-CB 3.24Å; D507-A510 PolarHBondContact O-N 3.26Å; D507-A510 VanDerWaalsContact O-N 3.09Å; A510-W514 WeakPolarHBondContact O-CB 3.07Å; A510-W514 PolarHBondContact O-N 2.69Å
511I54.2Low48.9Very low57 Ų57109.9 Ų109.929%0.29253%0.533SS..Hα-helixtrans-61.8-42.5173.7-66.2167.7000111A505 D507 Y508 E509 W514 R515A505-I511 HydrophobicContact CB-CG1 3.86Å; A505-I511 WeakPolarHBondContact O-CD1 3.17Å; A505-I511 WeakPolarHBondContact O-CG1 3.35Å; D507-I511 WeakPolarHBondContact O-CG1 3.38Å; D507-I511 PolarHBondContact O-N 3.36Å; Y508-I511 PolarHBondContact O-N 2.77Å; E509-I511 PolarHBondContact O-N 2.68Å; I511-W514 PolarHBondContact O-N 2.95Å; I511-R515 WeakPolarHBondContact O-CG 3.49Å; I511-R515 PolarHBondContact O-N 3.06Å
512K55.5Low50.4Low100 Ų100106.5 Ų106.544%0.43552%0.519SS..Hα-helixtrans-65.2-46.5-179.2-174.4-178.5174.9-170.80111.6Y508 E509 W514 R515 L516Y508-K512 WeakPolarHBondContact O-CB 3.4Å; Y508-K512 PolarHBondContact O-N 3.37Å; E509-K512 PolarHBondContact O-N 2.85Å; K512-W514 VanDerWaalsContact C-N 3.32Å; K512-W514 PolarHBondContact O-N 2.99Å; K512-R515 PolarHBondContact O-N 3.47Å; K512-L516 PolarHBondContact O-N 2.91Å
513V47.4Very low51.6Low74 Ų74103.8 Ų103.845%0.44850%0.504SS..Hα-helixtrans-62.1-41.6173.61750000110.5E509 R515 L516 A517E509-V513 WeakPolarHBondContact O-CG2 3.39Å; E509-V513 PolarHBondContact O-N 3.09Å; V513-R515 PolarHBondContact O-N 3.22Å; V513-L516 PolarHBondContact O-N 2.87Å; V513-A517 WeakPolarHBondContact O-CB 3.26Å; V513-A517 PolarHBondContact O-N 2.88Å
514W53.4Low52Low127 Ų127103.3 Ų103.348%0.48150%0.502SS..Hα-helixtrans-63.2-40.3176.3-117.7101.4000113.1I503 A510 I511 K512 A517 K518I503-W514 HydrophobicContact CD1-CZ2 3.97Å; A510-W514 WeakPolarHBondContact O-CB 3.07Å; A510-W514 PolarHBondContact O-N 2.69Å; I511-W514 PolarHBondContact O-N 2.95Å; K512-W514 VanDerWaalsContact C-N 3.32Å; K512-W514 PolarHBondContact O-N 2.99Å; W514-A517 PolarHBondContact O-N 3.13Å; W514-K518 VanDerWaalsContact O-CB 3.27Å; W514-K518 WeakPolarHBondContact O-CB 3.5Å; W514-K518 PolarHBondContact O-N 2.49Å
515R60.8Low52.8Low159 Ų159101.9 Ų101.960%0.649%0.494SS*.Hα-helixtrans-62.5-45.3174.1-77.3-177.4-163.5161.85.6111.3I511 K512 V513 A517 K518 D519I511-R515 WeakPolarHBondContact O-CG 3.49Å; I511-R515 PolarHBondContact O-N 3.06Å; K512-R515 PolarHBondContact O-N 3.47Å; V513-R515 PolarHBondContact O-N 3.22Å; R515-A517 PolarHBondContact O-N 3.12Å; R515-K518 PolarHBondContact O-N 2.89Å; R515-D519 PolarHBondContact O-N 3.14Å
516L52.7Low53.8Low111 Ų111105.4 Ų105.458%0.58151%0.506SS*.Hα-helixtrans-59-47.1176.2-109.2122.8000111.7K512 V513 K518 D519 V520K512-L516 PolarHBondContact O-N 2.91Å; V513-L516 PolarHBondContact O-N 2.87Å; L516-K518 VanDerWaalsContact C-N 3.34Å; L516-K518 PolarHBondContact O-N 3.22Å; L516-D519 PolarHBondContact O-N 2.89Å; L516-V520 WeakPolarHBondContact O-CG2 3.42Å; L516-V520 PolarHBondContact O-N 2.93Å
517A46.6Very low54.4Low35 Ų35105.5 Ų105.529%0.28950%0.501SS..Hα-helixtrans-61.7-42.6176.700000111.8V513 W514 R515 D519 V520 L521V513-A517 WeakPolarHBondContact O-CB 3.26Å; V513-A517 PolarHBondContact O-N 2.88Å; W514-A517 PolarHBondContact O-N 3.13Å; R515-A517 PolarHBondContact O-N 3.12Å; A517-D519 PolarHBondContact O-N 2.9Å; A517-V520 PolarHBondContact O-N 2.95Å; A517-L521 WeakPolarHBondContact O-CB 3.24Å; A517-L521 VanDerWaalsContact O-CG 3.27Å; A517-L521 WeakPolarHBondContact O-CG 3.38Å; A517-L521 PolarHBondContact O-N 2.87Å
518K57.5Low54.4Low139 Ų139106.2 Ų106.260%0.60450%0.501SS*.Hα-helixtrans-63.9-39.8178.1-167.4177.5-178179.50112.4W514 R515 L516 L521 K522W514-K518 VanDerWaalsContact O-CB 3.27Å; W514-K518 WeakPolarHBondContact O-CB 3.5Å; W514-K518 PolarHBondContact O-N 2.49Å; R515-K518 PolarHBondContact O-N 2.89Å; L516-K518 VanDerWaalsContact C-N 3.34Å; L516-K518 PolarHBondContact O-N 3.22Å; K518-L521 PolarHBondContact O-N 3.32Å; K518-K522 WeakPolarHBondContact O-CB 3.42Å; K518-K522 PolarHBondContact O-N 3.39Å
519D59.3Low55Low96 Ų96101.4 Ų101.451%0.51349%0.491SS..Hα-helixtrans-67.9-39.6176.9-72.6-16000111.8R515 L516 A517 K522 K523R515-D519 PolarHBondContact O-N 3.14Å; L516-D519 PolarHBondContact O-N 2.89Å; A517-D519 PolarHBondContact O-N 2.9Å; D519-K522 PolarHBondContact O-N 3.44Å; D519-K523 WeakPolarHBondContact O-CG 3.23Å; D519-K523 PolarHBondContact O-N 3.35Å
520V51Low56Low81 Ų8199.3 Ų99.349%0.49149%0.49SS..Hα-helixtrans-64.1-46.5174172.30000110.9L516 A517 K522 K523 L524L516-V520 WeakPolarHBondContact O-CG2 3.42Å; L516-V520 PolarHBondContact O-N 2.93Å; A517-V520 PolarHBondContact O-N 2.95Å; V520-K522 PolarHBondContact O-N 3.33Å; V520-K523 PolarHBondContact O-N 3.09Å; V520-L524 HydrophobicContact CG1-CD1 4.16Å; V520-L524 WeakPolarHBondContact O-CG 3.43Å; V520-L524 PolarHBondContact O-N 3.24Å
521L50.7Low56.3Low104 Ų10499.9 Ų99.955%0.54550%0.495SS..Hα-helixtrans-61.3-42.7177.3-72.6170.8000111.9A517 K518 K523 L524 D525A517-L521 WeakPolarHBondContact O-CB 3.24Å; A517-L521 VanDerWaalsContact O-CG 3.27Å; A517-L521 WeakPolarHBondContact O-CG 3.38Å; A517-L521 PolarHBondContact O-N 2.87Å; K518-L521 PolarHBondContact O-N 3.32Å; L521-K523 PolarHBondContact O-N 2.89Å; L521-L524 PolarHBondContact O-N 3.25Å; L521-D525 PolarHBondContact O-N 3.29Å
522K63.6Low56.4Low126 Ų126102.6 Ų102.655%0.54851%0.506SS..Hα-helixtrans-61.8-43.5176.4-169-172-179.7-117.50111.9K518 D519 V520 L524 D525 E526K518-K522 WeakPolarHBondContact O-CB 3.42Å; K518-K522 PolarHBondContact O-N 3.39Å; D519-K522 PolarHBondContact O-N 3.44Å; V520-K522 PolarHBondContact O-N 3.33Å; K522-L524 VanDerWaalsContact C-N 3.3Å; K522-L524 PolarHBondContact O-N 2.91Å; K522-D525 PolarHBondContact O-N 2.91Å; K522-E526 WeakPolarHBondContact CE-OE1 3.08Å; K522-E526 IonicContact NZ-OE1 3.85Å; K522-E526 PolarHBondContact NZ-OE1 3.29Å; K522-E526 WeakPolarHBondContact O-CG 3.42Å; K522-E526 PolarHBondContact O-N 2.88Å
523K60.9Low57Low135 Ų135102.8 Ų102.859%0.58751%0.511SS*.Hα-helixtrans-64.2-34.5177-76.4179.6178.8-177.30112.7D519 V520 L521 R527D519-K523 WeakPolarHBondContact O-CG 3.23Å; D519-K523 PolarHBondContact O-N 3.35Å; V520-K523 PolarHBondContact O-N 3.09Å; L521-K523 PolarHBondContact O-N 2.89Å; K523-R527 WeakPolarHBondContact O-CB 3.37Å; K523-R527 WeakPolarHBondContact O-CG 3.21Å; K523-R527 PolarHBondContact O-N 3.08Å
524L49.4Very low57.8Low82 Ų82105.2 Ų105.243%0.42952%0.521SS..Hα-helixtrans-67.7-42.9174.4-73.1168.4000111.4V520 L521 K522 R527 Q528V520-L524 HydrophobicContact CG1-CD1 4.16Å; V520-L524 WeakPolarHBondContact O-CG 3.43Å; V520-L524 PolarHBondContact O-N 3.24Å; L521-L524 PolarHBondContact O-N 3.25Å; K522-L524 VanDerWaalsContact C-N 3.3Å; K522-L524 PolarHBondContact O-N 2.91Å; L524-R527 PolarHBondContact O-N 3.37Å; L524-Q528 WeakPolarHBondContact O-CB 3.28Å; L524-Q528 PolarHBondContact O-N 2.86Å
525D57.1Low57.7Low105 Ų105103.9 Ų103.956%0.56153%0.526SS*.Hα-helixtrans-63.5-41177.2-150.339000112L521 K522 Q528 S529L521-D525 PolarHBondContact O-N 3.29Å; K522-D525 PolarHBondContact O-N 2.91Å; D525-Q528 PolarHBondContact O-N 2.78Å; D525-S529 WeakPolarHBondContact O-CB 3.43Å; D525-S529 PolarHBondContact O-N 3.32Å; D525-S529 PolarHBondContact O-OG 3.44Å
526E67.4Low57.7Low100 Ų100101 Ų10147%0.46753%0.527SS..Hα-helixtrans-62.7-41.6173.1-73.2170.4-177.400111.7K522 A530K522-E526 WeakPolarHBondContact CE-OE1 3.08Å; K522-E526 IonicContact NZ-OE1 3.85Å; K522-E526 PolarHBondContact NZ-OE1 3.29Å; K522-E526 WeakPolarHBondContact O-CG 3.42Å; K522-E526 PolarHBondContact O-N 2.88Å; E526-A530 WeakPolarHBondContact O-CB 3.26Å; E526-A530 PolarHBondContact O-N 2.99Å
527R56.7Low58.2Low188 Ų188103.6 Ų103.671%0.70954%0.536SS*.Hα-helixtrans-67.7-39.8176.3-78.8179174-174.3-4.2112.5K523 L524 A530 A531K523-R527 WeakPolarHBondContact O-CB 3.37Å; K523-R527 WeakPolarHBondContact O-CG 3.21Å; K523-R527 PolarHBondContact O-N 3.08Å; L524-R527 PolarHBondContact O-N 3.37Å; R527-A530 PolarHBondContact O-N 2.83Å; R527-A531 WeakPolarHBondContact O-CB 3.27Å; R527-A531 PolarHBondContact O-N 3.02Å
528Q50.8Low58.5Low115 Ų115105.2 Ų105.254%0.53756%0.556SS.*Hα-helixtrans-65-45.4177.1-173.2175.3-20.900111L524 D525 A530 A531 E532L524-Q528 WeakPolarHBondContact O-CB 3.28Å; L524-Q528 PolarHBondContact O-N 2.86Å; D525-Q528 PolarHBondContact O-N 2.78Å; Q528-A530 VanDerWaalsContact C-N 3.3Å; Q528-A530 PolarHBondContact O-N 3.14Å; Q528-A531 PolarHBondContact O-N 2.96Å; Q528-E532 WeakPolarHBondContact O-CG 3.3Å; Q528-E532 PolarHBondContact O-N 3.24Å
529S67.2Low57.9Low60 Ų60109.2 Ų109.242%0.4258%0.58SS.*Hα-helixtrans-60.7-38.1175.7-58.60000112.4D525 L533D525-S529 WeakPolarHBondContact O-CB 3.43Å; D525-S529 PolarHBondContact O-N 3.32Å; D525-S529 PolarHBondContact O-OG 3.44Å; S529-L533 PolarHBondContact O-N 3.25Å
530A67.7Low57.8Low50 Ų50109.9 Ų109.941%0.41358%0.583SS.*Hα-helixtrans-68.7-39.1175.900000112.6E526 R527 Q528 L533 I534E526-A530 WeakPolarHBondContact O-CB 3.26Å; E526-A530 PolarHBondContact O-N 2.99Å; R527-A530 PolarHBondContact O-N 2.83Å; Q528-A530 VanDerWaalsContact C-N 3.3Å; Q528-A530 PolarHBondContact O-N 3.14Å; A530-L533 PolarHBondContact O-N 3.21Å; A530-I534 WeakPolarHBondContact O-CG1 3.44Å; A530-I534 PolarHBondContact O-N 3.12Å
531A53.2Low58.2Low53 Ų53111.4 Ų111.444%0.43859%0.588SS.*Hα-helixtrans-65.5-38.8175.800000112R527 Q528 I534 V535R527-A531 WeakPolarHBondContact O-CB 3.27Å; R527-A531 PolarHBondContact O-N 3.02Å; Q528-A531 PolarHBondContact O-N 2.96Å; A531-I534 PolarHBondContact O-N 2.68Å; A531-V535 WeakPolarHBondContact O-CG2 3.21Å; A531-V535 PolarHBondContact O-N 2.91Å
532E56.6Low58.6Low115 Ų115111.8 Ų111.854%0.53759%0.59SS.*Hα-helixtrans-62.8-41.1175.4-73.4175.8-171.600112.2Q528 V535 T536Q528-E532 WeakPolarHBondContact O-CG 3.3Å; Q528-E532 PolarHBondContact O-N 3.24Å; E532-V535 PolarHBondContact O-N 3.09Å; E532-T536 PolarHBondContact O-N 3Å; E532-T536 VanDerWaalsContact O-N 3.1Å; E532-T536 PolarHBondContact O-OG1 3.33Å; E532-T536 VanDerWaalsContact O-OG1 3.06Å
533L67.2Low58.3Low103 Ų103111 Ų11154%0.53959%0.593SS.*Hα-helixtrans-60.7-43.9175.9-98.5151000112.8S529 A530 V535 T536 E537S529-L533 PolarHBondContact O-N 3.25Å; A530-L533 PolarHBondContact O-N 3.21Å; L533-V535 VanDerWaalsContact C-N 3.32Å; L533-V535 PolarHBondContact O-N 3.06Å; L533-T536 WeakPolarHBondContact CA-OG1 2.83Å; L533-T536 PolarHBondContact O-N 3.39Å; L533-T536 PolarHBondContact O-OG1 3.05Å; L533-E537 PolarHBondContact O-N 2.67Å; L533-E537 VanDerWaalsContact O-N 3.09Å
534I64Low58.1Low125 Ų125109.5 Ų109.564%0.64159%0.593SS**Hα-helixtrans-64.5-37.3179.2-65.8166.9000111.2A530 A531 G538A530-I534 WeakPolarHBondContact O-CG1 3.44Å; A530-I534 PolarHBondContact O-N 3.12Å; A531-I534 PolarHBondContact O-N 2.68Å; I534-G538 PolarHBondContact O-N 3.1Å
535V52.3Low58.7Low99 Ų99111.3 Ų111.360%0.660%0.604SS**Hα-helixtrans-70.2-34.6177.4175.70000111.4A531 E532 L533A531-V535 WeakPolarHBondContact O-CG2 3.21Å; A531-V535 PolarHBondContact O-N 2.91Å; E532-V535 PolarHBondContact O-N 3.09Å; L533-V535 VanDerWaalsContact C-N 3.32Å; L533-V535 PolarHBondContact O-N 3.06Å
536T59.5Low58.8Low100 Ų100111.8 Ų111.861%0.61361%0.607SS**Hα-helixtrans-77.7-21.9177.543.90000115.4E532 L533E532-T536 PolarHBondContact O-N 3Å; E532-T536 VanDerWaalsContact O-N 3.1Å; E532-T536 PolarHBondContact O-OG1 3.33Å; E532-T536 VanDerWaalsContact O-OG1 3.06Å; L533-T536 WeakPolarHBondContact CA-OG1 2.83Å; L533-T536 PolarHBondContact O-N 3.39Å; L533-T536 PolarHBondContact O-OG1 3.05Å
537E64.3Low58.2Low164 Ų164112.7 Ų112.777%0.76662%0.618SS**Hα-helixtrans-90.3-10.8175.3-71.3-173.8163.600113.3L533L533-E537 PolarHBondContact O-N 2.67Å; L533-E537 VanDerWaalsContact O-N 3.09Å
538G53.2Low58.3Low69 Ų69106.4 Ų106.471%0.71161%0.61SS**  trans-100.91.3178.600000116I534I534-G538 PolarHBondContact O-N 3.1Å
539M44Very low59Low224 Ų224105.6 Ų105.6100%1.10362%0.617SS**  trans-112.60170.5-80.6-170.2146.700110.2

Retrieved 539 of 539 residues in 401.5 ms (Link to these results)

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