A0A087YDP6_POEFO Loading...

Chromodomain helicase DNA binding protein 1-like

AlphaFold DB , UniProt , Accession A0A087YDP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,012 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.2Very low66.2Low185 Ų18593.8 Ų93.891%0.91145%0.446SS*.  088.60-70.3-151.7-60.700109.3E237M1-E237 WeakPolarHBondContact CA-OE1 3.42Å; M1-E237 WeakPolarHBondContact CA-OE2 3.47Å; M1-E237 VanDerWaalsContact N-CD 3.28Å; M1-E237 PolarHBondContact N-OE1 3.32Å; M1-E237 PolarHBondContact N-OE2 2.68Å
2S61.1Low66Low33 Ų3388.5 Ų88.523%0.23142%0.422CS..  trans-61.1155166.8490000112I4 L5 R6 Y225 E237S2-I4 PolarHBondContact O-N 3.43Å; S2-L5 PolarHBondContact O-N 3.06Å; S2-L5 VanDerWaalsContact O-N 3.11Å; S2-R6 PolarHBondContact O-N 3.46Å; S2-Y225 PolarHBondContact OG-OH 2.71Å; S2-E237 WeakPolarHBondContact CB-OE1 3.36Å; S2-E237 PolarHBondContact N-OE1 3.19Å; S2-E237 PolarHBondContact OG-OE1 3.12Å
3D67.8Low65.6Low113 Ų11388.6 Ų88.660%0.60443%0.432SS*.Hα-helixtrans-60.2-27.8173.3-76.6-62.2000112.3R6 K7D3-R6 CarbonylContact O-C 3.56Å; D3-R6 WeakPolarHBondContact O-CA 3.2Å; D3-R6 WeakPolarHBondContact O-CB 3.48Å; D3-R6 PolarHBondContact O-N 3.48Å; D3-K7 WeakPolarHBondContact O-CG 3.38Å; D3-K7 PolarHBondContact O-N 2.59Å
4I70.4Confident65Low16 Ų1695.3 Ų95.38%0.08246%0.462CS..Hα-helixtrans-60.4-45.1173.8-65.6170.6000111.2S2 R6 K7 I8 F213 F221 I241S2-I4 PolarHBondContact O-N 3.43Å; I4-R6 PolarHBondContact O-N 3.01Å; I4-K7 WeakPolarHBondContact O-CB 3.43Å; I4-K7 PolarHBondContact O-N 3.49Å; I4-I8 HydrophobicContact CG2-CD1 3.91Å; I4-I8 WeakPolarHBondContact O-CB 3.47Å; I4-I8 VanDerWaalsContact O-CG1 3.32Å; I4-I8 WeakPolarHBondContact O-CG1 3.23Å; I4-I8 PolarHBondContact O-N 2.99Å; I4-F213 HydrophobicContact CG2-CD1 4.36Å; I4-F213 HydrophobicContact CG2-CE1 3.74Å; I4-F213 HydrophobicContact CG2-CZ 4.45Å; I4-F221 HydrophobicContact CD1-CD2 3.81Å; I4-I241 HydrophobicContact CG2-CD1 4.28Å; I4-I241 HydrophobicContact CG2-CG2 4.49Å
5L68.2Low64.7Low28 Ų2892.5 Ų92.515%0.14745%0.446CS..Hα-helixtrans-62.7-32.4172.6-92.8-172.6000112.5S2 R9 E237 I241S2-L5 PolarHBondContact O-N 3.06Å; S2-L5 VanDerWaalsContact O-N 3.11Å; L5-R9 WeakPolarHBondContact O-CB 3.05Å; L5-R9 PolarHBondContact O-N 3.19Å; L5-E237 HydrophobicContact CD1-CG 3.32Å; L5-E237 HydrophobicContact CG-CG 4.26Å; L5-I241 HydrophobicContact CD2-CG1 3.54Å; L5-I241 HydrophobicContact CG-CD1 4.18Å; L5-I241 HydrophobicContact CG-CG1 3.64Å
6R69.6Low63.9Low167 Ų16797.8 Ų97.863%0.6347%0.467SS*.Hα-helixtrans-73.6-37.6176.5-149.2-178.580.7-1773.6112.2S2 D3 I4 N10S2-R6 PolarHBondContact O-N 3.46Å; D3-R6 CarbonylContact O-C 3.56Å; D3-R6 WeakPolarHBondContact O-CA 3.2Å; D3-R6 WeakPolarHBondContact O-CB 3.48Å; D3-R6 PolarHBondContact O-N 3.48Å; I4-R6 PolarHBondContact O-N 3.01Å; R6-N10 VanDerWaalsContact O-CB 3.29Å; R6-N10 WeakPolarHBondContact O-CB 3.41Å; R6-N10 PolarHBondContact O-N 3.17Å; R6-N10 PolarHBondContact O-OD1 3.04Å
7K73.4Confident63.3Low63 Ų63101.5 Ų101.527%0.27448%0.48SS..Hα-helixtrans-56.7-53.1168.3-68.3175-177.2178.80109.6D3 I4 N10 T11 I212 E217D3-K7 WeakPolarHBondContact O-CG 3.38Å; D3-K7 PolarHBondContact O-N 2.59Å; I4-K7 WeakPolarHBondContact O-CB 3.43Å; I4-K7 PolarHBondContact O-N 3.49Å; K7-N10 PolarHBondContact O-N 2.76Å; K7-T11 VanDerWaalsContact O-CB 3.28Å; K7-T11 WeakPolarHBondContact O-CB 3.35Å; K7-T11 PolarHBondContact O-N 2.99Å; K7-T11 VanDerWaalsContact O-N 3.09Å; K7-T11 PolarHBondContact O-OG1 3.49Å; K7-I212 HydrophobicContact CB-CG2 4.43Å; K7-I212 PolarHBondContact NZ-O 2.96Å; K7-E217 IonicContact NZ-OE1 2.78Å; K7-E217 PolarHBondContact NZ-OE1 3.18Å; K7-E217 IonicContact NZ-OE2 2.86Å; K7-E217 PolarHBondContact NZ-OE2 3.38Å
8I73.9Confident63Low10 Ų1099.2 Ų99.25%0.05147%0.474CS..Hα-helixtrans-55.8-56.4179.7-74.9167.3000111.2I4 N10 T11 I12 I212 F213 I241 P244 F245I4-I8 HydrophobicContact CG2-CD1 3.91Å; I4-I8 WeakPolarHBondContact O-CB 3.47Å; I4-I8 VanDerWaalsContact O-CG1 3.32Å; I4-I8 WeakPolarHBondContact O-CG1 3.23Å; I4-I8 PolarHBondContact O-N 2.99Å; I8-N10 PolarHBondContact O-N 3.01Å; I8-T11 PolarHBondContact O-N 3.06Å; I8-I12 HydrophobicContact CG2-CD1 3.92Å; I8-I12 HydrophobicContact CG2-CG1 4.47Å; I8-I12 WeakPolarHBondContact O-CB 3.2Å; I8-I12 PolarHBondContact O-N 3.35Å; I8-I212 HydrophobicContact CG1-CG2 4.01Å; I8-F213 HydrophobicContact CD1-CZ 4.12Å; I8-I241 HydrophobicContact CD1-CB 4.26Å; I8-I241 HydrophobicContact CD1-CG1 4.19Å; I8-I241 HydrophobicContact CD1-CG2 3.9Å; I8-P244 HydrophobicContact CG2-CG 4.42Å; I8-F245 HydrophobicContact CD1-CE2 4.13Å; I8-F245 HydrophobicContact CG1-CE2 4.29Å
9R69.4Low62.8Low203 Ų20399.2 Ų99.277%0.76649%0.493SS*.Hα-helixtrans-66.1-20.9-175.6-159.6175.1-164.6160.57.7114.1L5L5-R9 WeakPolarHBondContact O-CB 3.05Å; L5-R9 PolarHBondContact O-N 3.19Å
10N65.4Low63.3Low127 Ų12795 Ų9568%0.67947%0.472SS*.Hα-helixtrans-90.3-15.4174.7-69.11.8000113.5R6 K7 I8R6-N10 VanDerWaalsContact O-CB 3.29Å; R6-N10 WeakPolarHBondContact O-CB 3.41Å; R6-N10 PolarHBondContact O-N 3.17Å; R6-N10 PolarHBondContact O-OD1 3.04Å; K7-N10 PolarHBondContact O-N 2.76Å; I8-N10 PolarHBondContact O-N 3.01Å
11T62.8Low64.1Low87 Ų8792.5 Ų92.553%0.53446%0.463SS..Hα-helixtrans-112.9-24.2-173.1-50.20000112.7K7 I8 I212K7-T11 VanDerWaalsContact O-CB 3.28Å; K7-T11 WeakPolarHBondContact O-CB 3.35Å; K7-T11 PolarHBondContact O-N 2.99Å; K7-T11 VanDerWaalsContact O-N 3.09Å; K7-T11 PolarHBondContact O-OG1 3.49Å; I8-T11 PolarHBondContact O-N 3.06Å; T11-I212 HydrophobicContact CG2-CD1 4.32Å
12I64.3Low65.7Low30 Ų3085.2 Ų85.215%0.15443%0.427CS..  trans-102.5113.6-177.1-62.8-173.5000109.6I8 P244 F245I8-I12 HydrophobicContact CG2-CD1 3.92Å; I8-I12 HydrophobicContact CG2-CG1 4.47Å; I8-I12 WeakPolarHBondContact O-CB 3.2Å; I8-I12 PolarHBondContact O-N 3.35Å; I12-P244 HydrophobicContact CD1-CB 3.79Å; I12-P244 HydrophobicContact CD1-CG 3.89Å; I12-P244 HydrophobicContact CG2-CB 4.27Å; I12-F245 HydrophobicContact CD1-CE1 3.99Å; I12-F245 HydrophobicContact CD1-CE2 4.05Å; I12-F245 HydrophobicContact CD1-CZ 3.47Å; I12-F245 VanDerWaalsContact CD1-CZ 3.47Å
13T60.3Low66.5Low90 Ų9087 Ų8755%0.55244%0.439SS*.  trans-65.5142.6165.516.80000111.4K15 D52T13-K15 PolarHBondContact O-N 3.16Å; T13-D52 PolarHBondContact OG1-OD1 2.9Å; T13-D52 VanDerWaalsContact OG1-OD1 3.1Å
14E57.4Low67.1Low182 Ų18284.3 Ų84.385%0.8543%0.425SS*.  trans-60.3131.9174.8-72.1-175.4162.800111.3K16E14-K16 VanDerWaalsContact C-N 3.34Å; E14-K16 PolarHBondContact O-N 3.36Å
15K60Low67.6Low53 Ų5383.5 Ų83.523%0.2342%0.421CS..  trans-72.881.7-172.8-68.8-166.5179.2-176.90112.4T13 K17 Q48 S49 P244T13-K15 PolarHBondContact O-N 3.16Å; K15-K17 PolarHBondContact O-N 2.87Å; K15-K17 VanDerWaalsContact O-N 3.11Å; K15-Q48 VanDerWaalsContact C-OE1 3.28Å; K15-Q48 HydrophobicContact CB-CG 4.11Å; K15-Q48 HydrophobicContact CD-CG 4.17Å; K15-Q48 HydrophobicContact CG-CG 3.96Å; K15-S49 PolarHBondContact NZ-OG 3.21Å; K15-P244 PolarHBondContact NZ-O 3.44Å
16K52.8Low68.3Low177 Ų17787.3 Ų87.377%0.7744%0.438SS*.  trans-62104.6169-71-178.2178.6177.50110.4E14 T18 Q48E14-K16 VanDerWaalsContact C-N 3.34Å; E14-K16 PolarHBondContact O-N 3.36Å; K16-T18 PolarHBondContact O-N 3.32Å; K16-Q48 VanDerWaalsContact C-OE1 3.29Å; K16-Q48 VanDerWaalsContact N-NE2 3.16Å; K16-Q48 PolarHBondContact O-NE2 3.48Å; K16-Q48 PolarHBondContact O-OE1 3.39Å
17K53.9Low68.8Low161 Ų16184.9 Ų84.970%0.744%0.442SS*.  trans-46.6111.4176.3-72.2-166173.6-158.10111.5K15 D41K15-K17 PolarHBondContact O-N 2.87Å; K15-K17 VanDerWaalsContact O-N 3.11Å; K17-D41 IonicContact NZ-OD1 2.64Å
18T56.8Low69.1Low61 Ų6184.7 Ų84.737%0.37444%0.442SS..  trans-76.7126.8167.826.40000108.9K16 L20K16-T18 PolarHBondContact O-N 3.32Å; T18-L20 PolarHBondContact O-N 2.93Å
19A59Low69.3Low99 Ų9984.8 Ų84.882%0.81845%0.445SS*.  trans-76.566.8-17700000111.8S21A19-S21 PolarHBondContact O-N 2.97Å
20L74.3Confident70Confident14 Ų1475.3 Ų75.37%0.07341%0.41CS..  trans-82.4112178.6-169161000108.8T18 L25 V43 Q44 T47 F76T18-L20 PolarHBondContact O-N 2.93Å; L20-L25 HydrophobicContact CD2-CD1 3.9Å; L20-L25 HydrophobicContact CD2-CD2 3.95Å; L20-L25 HydrophobicContact CD2-CG 3.67Å; L20-V43 HydrophobicContact CD2-CG1 4.42Å; L20-Q44 HydrophobicContact CB-CG 3.86Å; L20-Q44 PolarHBondContact O-NE2 2.94Å; L20-T47 HydrophobicContact CD1-CG2 3.95Å; L20-F76 HydrophobicContact CD1-CD2 3.59Å; L20-F76 HydrophobicContact CD1-CE2 3.62Å; L20-F76 HydrophobicContact CD1-CG 4.25Å; L20-F76 HydrophobicContact CD1-CZ 4.31Å
21S78.3Confident70.8Confident43 Ų4377.3 Ų77.330%0.30141%0.407SS..  trans-90.6161.8-178800000111.8A19 S23 D24 L25A19-S21 PolarHBondContact O-N 2.97Å; S21-S23 VanDerWaalsContact C-N 3.29Å; S21-S23 PolarHBondContact O-N 3.41Å; S21-S23 PolarHBondContact OG-OG 3.02Å; S21-D24 WeakPolarHBondContact CA-OD2 3.34Å; S21-D24 VanDerWaalsContact CB-OD2 3.26Å; S21-D24 WeakPolarHBondContact CB-OD2 3.46Å; S21-D24 PolarHBondContact N-OD2 2.8Å; S21-D24 WeakPolarHBondContact O-CB 3.29Å; S21-D24 PolarHBondContact O-N 2.93Å; S21-D24 PolarHBondContact OG-N 2.91Å; S21-D24 PolarHBondContact OG-OD1 2.86Å; S21-D24 PolarHBondContact OG-OD2 3.49Å; S21-L25 PolarHBondContact O-N 2.96Å
22Q79.9Confident71.4Confident32 Ų3276.8 Ų76.815%0.1542%0.419CS..Hα-helixtrans-69.1-29.5177.2-166.9174.6-4.200113D24 L25 Q26 Q34 L40Q22-D24 PolarHBondContact O-N 2.74Å; Q22-L25 PolarHBondContact O-N 3.12Å; Q22-Q26 WeakPolarHBondContact O-CG 3.37Å; Q22-Q26 PolarHBondContact O-N 3.12Å; Q22-Q34 VanDerWaalsContact NE2-CA 3.34Å; Q22-L40 HydrophobicContact CB-CD1 4.33Å; Q22-L40 HydrophobicContact CB-CD2 4.01Å; Q22-L40 HydrophobicContact CG-CD2 4.3Å
23S78.1Confident72.2Confident70 Ų7077.1 Ų77.149%0.4942%0.421SS..Hα-helixtrans-58.9-35171.418.20000112.4S21 Q26 T27S21-S23 VanDerWaalsContact C-N 3.29Å; S21-S23 PolarHBondContact O-N 3.41Å; S21-S23 PolarHBondContact OG-OG 3.02Å; S23-Q26 PolarHBondContact O-N 2.82Å; S23-T27 WeakPolarHBondContact O-CB 3.29Å; S23-T27 PolarHBondContact O-N 3Å; S23-T27 PolarHBondContact O-OG1 3.09Å
24D81.9Confident73.3Confident57 Ų5780.5 Ų80.531%0.30543%0.431SS..Hα-helixtrans-67.8-48.4177.6-51.2-44.8000110.2S21 Q22 Q26 T27 F28S21-D24 WeakPolarHBondContact CA-OD2 3.34Å; S21-D24 VanDerWaalsContact CB-OD2 3.26Å; S21-D24 WeakPolarHBondContact CB-OD2 3.46Å; S21-D24 PolarHBondContact N-OD2 2.8Å; S21-D24 WeakPolarHBondContact O-CB 3.29Å; S21-D24 PolarHBondContact O-N 2.93Å; S21-D24 PolarHBondContact OG-N 2.91Å; S21-D24 PolarHBondContact OG-OD1 2.86Å; S21-D24 PolarHBondContact OG-OD2 3.49Å; Q22-D24 PolarHBondContact O-N 2.74Å; D24-Q26 VanDerWaalsContact C-N 3.31Å; D24-Q26 PolarHBondContact O-N 2.88Å; D24-T27 CarbonylContact O-C 3.57Å; D24-T27 WeakPolarHBondContact O-CA 3.49Å; D24-T27 WeakPolarHBondContact O-CB 3.34Å; D24-T27 PolarHBondContact O-N 2.79Å; D24-F28 HydrophobicContact CB-CD2 4.38Å; D24-F28 HydrophobicContact CB-CE2 3.72Å; D24-F28 HydrophobicContact CB-CZ 4.21Å; D24-F28 WeakPolarHBondContact O-CD2 3.24Å; D24-F28 VanDerWaalsContact O-CG 3.23Å; D24-F28 WeakPolarHBondContact O-CG 3.41Å; D24-F28 PolarHBondContact O-N 3.33Å
25L81Confident74.7Confident0 Ų072.2 Ų72.20%039%0.392CS..Hα-helixtrans-58-41.4176-67.9172.2000112.6L20 S21 Q22 T27 F28 G29 L30 L35 L40 V43 F76L20-L25 HydrophobicContact CD2-CD1 3.9Å; L20-L25 HydrophobicContact CD2-CD2 3.95Å; L20-L25 HydrophobicContact CD2-CG 3.67Å; S21-L25 PolarHBondContact O-N 2.96Å; Q22-L25 PolarHBondContact O-N 3.12Å; L25-T27 VanDerWaalsContact C-N 3.34Å; L25-F28 PolarHBondContact O-N 3.26Å; L25-G29 PolarHBondContact O-N 3.31Å; L25-G29 VanDerWaalsContact O-N 3.16Å; L25-L30 HydrophobicContact CB-CB 4.11Å; L25-L30 HydrophobicContact CB-CD2 3.87Å; L25-L30 HydrophobicContact CD1-CD2 4.25Å; L25-L30 WeakPolarHBondContact O-CB 3.29Å; L25-L30 PolarHBondContact O-N 3.06Å; L25-L35 HydrophobicContact CD1-CD1 3.65Å; L25-L40 HydrophobicContact CD1-CD2 4.05Å; L25-V43 HydrophobicContact CD1-CG1 4.32Å; L25-V43 HydrophobicContact CD2-CG1 4.4Å; L25-F76 HydrophobicContact CD2-CB 4.23Å
26Q81.6Confident76Confident107 Ų10773.6 Ų73.650%0.540%0.396SS..Hα-helixtrans-64.2-39.5175.4-72.9177-12.100111.8Q22 S23 D24 G29 L30Q22-Q26 WeakPolarHBondContact O-CG 3.37Å; Q22-Q26 PolarHBondContact O-N 3.12Å; S23-Q26 PolarHBondContact O-N 2.82Å; D24-Q26 VanDerWaalsContact C-N 3.31Å; D24-Q26 PolarHBondContact O-N 2.88Å; Q26-G29 PolarHBondContact O-N 3.42Å; Q26-G29 VanDerWaalsContact O-N 3.17Å; Q26-L30 WeakPolarHBondContact CA-O 2.98Å
27T79.8Confident77.6Confident117 Ų11768.8 Ų68.872%0.71839%0.389SS*.Hα-helixtrans-65.4-37.3175.1-560000111.9S23 D24 L25 G29S23-T27 WeakPolarHBondContact O-CB 3.29Å; S23-T27 PolarHBondContact O-N 3Å; S23-T27 PolarHBondContact O-OG1 3.09Å; D24-T27 CarbonylContact O-C 3.57Å; D24-T27 WeakPolarHBondContact O-CA 3.49Å; D24-T27 WeakPolarHBondContact O-CB 3.34Å; D24-T27 PolarHBondContact O-N 2.79Å; L25-T27 VanDerWaalsContact C-N 3.34Å; T27-G29 PolarHBondContact O-N 3.17Å
28F80.3Confident79.2Confident59 Ų5961.9 Ų61.926%0.25936%0.359SS..THydrogen-bonded Turntrans-74.2-8.1174.5-56.8-39.3000114.1D24 L25 V75 F76 A80D24-F28 HydrophobicContact CB-CD2 4.38Å; D24-F28 HydrophobicContact CB-CE2 3.72Å; D24-F28 HydrophobicContact CB-CZ 4.21Å; D24-F28 WeakPolarHBondContact O-CD2 3.24Å; D24-F28 VanDerWaalsContact O-CG 3.23Å; D24-F28 WeakPolarHBondContact O-CG 3.41Å; D24-F28 PolarHBondContact O-N 3.33Å; L25-F28 PolarHBondContact O-N 3.26Å; F28-V75 HydrophobicContact CB-CG1 3.89Å; F28-F76 HydrophobicContact CD2-CD2 4.07Å; F28-F76 AromaticContact CE2-CD2 3.84Å; F28-F76 HydrophobicContact CE2-CD2 3.84Å; F28-F76 HydrophobicContact CE2-CE2 4.16Å; F28-A80 HydrophobicContact CD1-CB 4.33Å; F28-A80 HydrophobicContact CD2-CB 4.18Å; F28-A80 HydrophobicContact CE1-CB 3.9Å; F28-A80 HydrophobicContact CE2-CB 3.74Å; F28-A80 HydrophobicContact CG-CB 4.49Å; F28-A80 HydrophobicContact CZ-CB 3.6Å
29G77.6Confident80.8Confident12 Ų1259.4 Ų59.412%0.12434%0.343CS..THydrogen-bonded Turntrans120.73.1170.700000116.2L25 Q26 T27 R31L25-G29 PolarHBondContact O-N 3.31Å; L25-G29 VanDerWaalsContact O-N 3.16Å; Q26-G29 PolarHBondContact O-N 3.42Å; Q26-G29 VanDerWaalsContact O-N 3.17Å; T27-G29 PolarHBondContact O-N 3.17Å; G29-R31 PolarHBondContact O-N 3.3Å
30L84.4Confident82.2Confident4 Ų456.2 Ų56.22%0.02131%0.312CS..  trans-67.1122.4176.1-170.571.8000110.2L25 Q26 I33 L35 V75 F106L25-L30 HydrophobicContact CB-CB 4.11Å; L25-L30 HydrophobicContact CB-CD2 3.87Å; L25-L30 HydrophobicContact CD1-CD2 4.25Å; L25-L30 WeakPolarHBondContact O-CB 3.29Å; L25-L30 PolarHBondContact O-N 3.06Å; Q26-L30 WeakPolarHBondContact CA-O 2.98Å; L30-I33 HydrophobicContact CD1-CG2 4.02Å; L30-I33 HydrophobicContact CD2-CG2 4.18Å; L30-I33 HydrophobicContact CG-CG2 4.02Å; L30-L35 HydrophobicContact CD2-CD1 4.13Å; L30-L35 HydrophobicContact CD2-CG 4.37Å; L30-V75 HydrophobicContact CB-CG1 4.26Å; L30-F106 CarbonylContact C-O 3.58Å; L30-F106 WeakPolarHBondContact CA-O 3.38Å; L30-F106 HydrophobicContact CD1-CB 4.17Å
31R83.1Confident82.9Confident168 Ų16858.9 Ų58.963%0.63433%0.327SS*.  trans-129.6164.1-177.4-68.5-177.5-178.9-172.50.7111.7G29 I33 F106G29-R31 PolarHBondContact O-N 3.3Å; R31-I33 PolarHBondContact O-N 2.73Å; R31-F106 PolarHBondContact N-O 3.3Å; R31-F106 WeakPolarHBondContact O-CA 3.4Å
32G74.9Confident83.5Confident76 Ų7656.9 Ų56.978%0.78431%0.312SS*.SBendtrans68.3-2.5169.100000117.5
33I80.8Confident84Confident37 Ų3755.3 Ų55.319%0.1931%0.305CS..  trans-135142.5-179-170.6165.2000112.2L30 R31 L35 C68 F106L30-I33 HydrophobicContact CD1-CG2 4.02Å; L30-I33 HydrophobicContact CD2-CG2 4.18Å; L30-I33 HydrophobicContact CG-CG2 4.02Å; R31-I33 PolarHBondContact O-N 2.73Å; I33-L35 HydrophobicContact CD1-CD2 4.46Å; I33-C68 HydrophobicContact CD1-CB 3.85Å; I33-F106 HydrophobicContact CB-CD1 3.82Å; I33-F106 HydrophobicContact CB-CE1 3.85Å; I33-F106 HydrophobicContact CB-CG 4.43Å; I33-F106 HydrophobicContact CB-CZ 4.45Å; I33-F106 HydrophobicContact CD1-CD2 4.47Å; I33-F106 HydrophobicContact CD1-CE1 4.11Å; I33-F106 HydrophobicContact CD1-CE2 4.01Å; I33-F106 HydrophobicContact CD1-CZ 3.83Å; I33-F106 HydrophobicContact CG1-CE1 4.44Å; I33-F106 HydrophobicContact CG2-CB 4.38Å; I33-F106 HydrophobicContact CG2-CD1 3.91Å; I33-F106 HydrophobicContact CG2-CE1 4.41Å; I33-F106 HydrophobicContact CG2-CG 4.1Å
34Q84.3Confident84.5Confident162 Ų16253.6 Ų53.676%0.75729%0.289SS*.  trans-105.2120.5163.5-169.1169.30.700110.1Q22Q22-Q34 VanDerWaalsContact NE2-CA 3.34Å
35L85.8Confident84.9Confident8 Ų852.9 Ų52.94%0.04228%0.282CS..  trans-76.2139.7177.6-65.5177.6000110.4L25 L30 I33 Q39 L40 V43L25-L35 HydrophobicContact CD1-CD1 3.65Å; L30-L35 HydrophobicContact CD2-CD1 4.13Å; L30-L35 HydrophobicContact CD2-CG 4.37Å; I33-L35 HydrophobicContact CD1-CD2 4.46Å; L35-Q39 HydrophobicContact CB-CB 4.19Å; L35-Q39 HydrophobicContact CD2-CB 4.21Å; L35-L40 HydrophobicContact CB-CD2 3.93Å; L35-L40 HydrophobicContact CB-CG 3.9Å; L35-L40 HydrophobicContact CD1-CD2 3.7Å; L35-L40 HydrophobicContact CD1-CG 4.42Å; L35-L40 HydrophobicContact CG-CD2 4.45Å; L35-V43 HydrophobicContact CD1-CG2 4.45Å
36R87Confident85.4Confident81 Ų8152.9 Ų52.931%0.30628%0.282SS..  trans-72.7158.4171-66.4172.9163.1-99-12.8110.3Y38 Q39 L40 D257R36-Y38 HydrophobicContact CB-CD1 3.93Å; R36-Y38 HydrophobicContact CB-CE1 3.77Å; R36-Y38 HydrophobicContact CG-CE1 4.37Å; R36-Y38 PolarHBondContact O-N 3.46Å; R36-Q39 HydrophobicContact CB-CG 4.13Å; R36-Q39 WeakPolarHBondContact O-CA 3.28Å; R36-Q39 WeakPolarHBondContact O-CB 3.46Å; R36-Q39 PolarHBondContact O-N 3Å; R36-L40 PolarHBondContact O-N 2.95Å; R36-D257 IonicContact CZ-OD2 3.56Å; R36-D257 IonicContact NH1-OD2 3.66Å; R36-D257 PolarHBondContact NH1-OD2 2.92Å; R36-D257 IonicContact NH2-OD2 3.48Å; R36-D257 PolarHBondContact NH2-OD2 3Å
37A86Confident85.7Confident76 Ų7647.8 Ų47.863%0.62826%0.259SS*.Hα-helixtrans-49.5-53.6-178.800000112.8Q39 L40 D41A37-Q39 PolarHBondContact O-N 3.01Å; A37-L40 WeakPolarHBondContact O-CA 3.39Å; A37-L40 WeakPolarHBondContact O-CB 3.19Å; A37-L40 PolarHBondContact O-N 3.34Å; A37-D41 PolarHBondContact O-N 2.87Å
38Y88.3Confident86Confident16 Ų1643.3 Ų43.36%0.06323%0.229CC..Hα-helixtrans-61.5-28.5177.278.9-94.6000113.4R36 D41 G42 L64 R249 V254 I448R36-Y38 HydrophobicContact CB-CD1 3.93Å; R36-Y38 HydrophobicContact CB-CE1 3.77Å; R36-Y38 HydrophobicContact CG-CE1 4.37Å; R36-Y38 PolarHBondContact O-N 3.46Å; Y38-D41 PolarHBondContact O-N 2.87Å; Y38-G42 PolarHBondContact O-N 3.46Å; Y38-L64 HydrophobicContact CE2-CB 4.1Å; Y38-L64 WeakPolarHBondContact CE2-O 3.37Å; Y38-L64 PolarHBondContact OH-O 3.34Å; Y38-R249 PolarHBondContact O-NH1 3.26Å; Y38-V254 HydrophobicContact CD1-CB 3.55Å; Y38-V254 HydrophobicContact CD1-CG1 4.27Å; Y38-V254 HydrophobicContact CD1-CG2 3.95Å; Y38-V254 HydrophobicContact CD2-CB 4.38Å; Y38-V254 HydrophobicContact CD2-CG2 4.29Å; Y38-V254 HydrophobicContact CE1-CB 3.94Å; Y38-V254 HydrophobicContact CE1-CG2 3.85Å; Y38-V254 HydrophobicContact CE2-CG2 4.25Å; Y38-V254 HydrophobicContact CG-CB 3.79Å; Y38-V254 HydrophobicContact CG-CG1 4.01Å; Y38-V254 HydrophobicContact CG-CG2 4.16Å; Y38-I448 WeakPolarHBondContact OH-CD1 3.49Å
39Q90Very high86.4Confident10 Ų1040.5 Ų40.55%0.04722%0.217CC..Hα-helixtrans-72.5-34.7176.5-62.5176.1-35.400110.7L35 R36 A37 G42 V43 L64 Q69L35-Q39 HydrophobicContact CB-CB 4.19Å; L35-Q39 HydrophobicContact CD2-CB 4.21Å; R36-Q39 HydrophobicContact CB-CG 4.13Å; R36-Q39 WeakPolarHBondContact O-CA 3.28Å; R36-Q39 WeakPolarHBondContact O-CB 3.46Å; R36-Q39 PolarHBondContact O-N 3Å; A37-Q39 PolarHBondContact O-N 3.01Å; Q39-G42 PolarHBondContact O-N 3.14Å; Q39-V43 VanDerWaalsContact O-CG2 3.28Å; Q39-V43 WeakPolarHBondContact O-CG2 3.37Å; Q39-V43 PolarHBondContact O-N 3.5Å; Q39-L64 PolarHBondContact NE2-O 2.88Å; Q39-Q69 HydrophobicContact CB-CG 3.9Å; Q39-Q69 HydrophobicContact CG-CG 4.15Å
40L89.1Confident86.8Confident32 Ų3240.8 Ų40.817%0.16822%0.216CC..Hα-helixtrans-66.7-45.4170.6-66.8166.2000111.2Q22 L25 L35 R36 A37 G42 V43 Q44Q22-L40 HydrophobicContact CB-CD1 4.33Å; Q22-L40 HydrophobicContact CB-CD2 4.01Å; Q22-L40 HydrophobicContact CG-CD2 4.3Å; L25-L40 HydrophobicContact CD1-CD2 4.05Å; L35-L40 HydrophobicContact CB-CD2 3.93Å; L35-L40 HydrophobicContact CB-CG 3.9Å; L35-L40 HydrophobicContact CD1-CD2 3.7Å; L35-L40 HydrophobicContact CD1-CG 4.42Å; L35-L40 HydrophobicContact CG-CD2 4.45Å; R36-L40 PolarHBondContact O-N 2.95Å; A37-L40 WeakPolarHBondContact O-CA 3.39Å; A37-L40 WeakPolarHBondContact O-CB 3.19Å; A37-L40 PolarHBondContact O-N 3.34Å; L40-G42 VanDerWaalsContact C-N 3.25Å; L40-G42 PolarHBondContact O-N 2.8Å; L40-V43 PolarHBondContact O-N 3.21Å; L40-Q44 WeakPolarHBondContact O-CG 3.26Å; L40-Q44 PolarHBondContact O-N 2.92Å
41D88.5Confident86.8Confident70 Ų7045.2 Ų45.237%0.37424%0.236SC..Hα-helixtrans-57.5-39.3173.4-69.2-60.5000111.8K17 A37 Y38 Q44 W45K17-D41 IonicContact NZ-OD1 2.64Å; A37-D41 PolarHBondContact O-N 2.87Å; Y38-D41 PolarHBondContact O-N 2.87Å; D41-Q44 PolarHBondContact O-N 3.32Å; D41-W45 WeakPolarHBondContact O-CB 3.26Å; D41-W45 PolarHBondContact O-N 2.78Å
42G90.6Very high86.8Confident0 Ų039.2 Ų39.20%022%0.217CC..Hα-helixtrans-69.8-39.5177.800000113.1Y38 Q39 L40 W45 L46Y38-G42 PolarHBondContact O-N 3.46Å; Q39-G42 PolarHBondContact O-N 3.14Å; L40-G42 VanDerWaalsContact C-N 3.25Å; L40-G42 PolarHBondContact O-N 2.8Å; G42-W45 PolarHBondContact O-N 2.86Å; G42-L46 WeakPolarHBondContact O-CB 3.44Å; G42-L46 VanDerWaalsContact O-CG 3.27Å; G42-L46 WeakPolarHBondContact O-CG 3.47Å; G42-L46 PolarHBondContact O-N 3.39Å
43V90.8Very high87.1Confident0 Ų042.2 Ų42.20%021%0.21CC..Hα-helixtrans-65.3-39.9172.1172.30000111L20 L25 L35 Q39 L40 L46 T47 Q69L20-V43 HydrophobicContact CD2-CG1 4.42Å; L25-V43 HydrophobicContact CD1-CG1 4.32Å; L25-V43 HydrophobicContact CD2-CG1 4.4Å; L35-V43 HydrophobicContact CD1-CG2 4.45Å; Q39-V43 VanDerWaalsContact O-CG2 3.28Å; Q39-V43 WeakPolarHBondContact O-CG2 3.37Å; Q39-V43 PolarHBondContact O-N 3.5Å; L40-V43 PolarHBondContact O-N 3.21Å; V43-L46 PolarHBondContact O-N 3.23Å; V43-T47 VanDerWaalsContact O-CB 3.32Å; V43-T47 WeakPolarHBondContact O-CB 3.11Å; V43-T47 PolarHBondContact O-N 2.9Å; V43-T47 PolarHBondContact O-OG1 3.01Å; V43-Q69 HydrophobicContact CG2-CB 4.15Å; V43-Q69 HydrophobicContact CG2-CG 4.36Å
44Q89.6Confident87.4Confident33 Ų3340.7 Ų40.715%0.15420%0.202CC..Hα-helixtrans-59.2-48.3173.1-76.3172.812.500111.9L20 L40 D41 L46 T47 Q48L20-Q44 HydrophobicContact CB-CG 3.86Å; L20-Q44 PolarHBondContact O-NE2 2.94Å; L40-Q44 WeakPolarHBondContact O-CG 3.26Å; L40-Q44 PolarHBondContact O-N 2.92Å; D41-Q44 PolarHBondContact O-N 3.32Å; Q44-L46 PolarHBondContact O-N 3.47Å; Q44-T47 PolarHBondContact O-N 3.27Å; Q44-Q48 WeakPolarHBondContact O-CB 3.39Å; Q44-Q48 PolarHBondContact O-N 3.31Å
45W90Very high87.5Confident42 Ų4233.1 Ų33.116%0.15917%0.168CC..Hα-helixtrans-63.6-38.4177.9-179.898.3000112.6D41 G42 S49 C56 L247D41-W45 WeakPolarHBondContact O-CB 3.26Å; D41-W45 PolarHBondContact O-N 2.78Å; G42-W45 PolarHBondContact O-N 2.86Å; W45-S49 WeakPolarHBondContact O-CB 3.36Å; W45-S49 PolarHBondContact O-N 3.43Å; W45-S49 VanDerWaalsContact O-N 3.09Å; W45-S49 PolarHBondContact O-OG 2.61Å; W45-C56 HydrophobicContact CH2-CB 3.83Å; W45-C56 HydrophobicContact CZ3-CB 3.7Å; W45-L247 HydrophobicContact CB-CD2 4.26Å; W45-L247 HydrophobicContact CD2-CB 3.94Å; W45-L247 HydrophobicContact CD2-CD2 4.02Å; W45-L247 HydrophobicContact CD2-CG 4.5Å; W45-L247 HydrophobicContact CE3-CB 3.77Å; W45-L247 HydrophobicContact CE3-CD2 3.85Å; W45-L247 HydrophobicContact CE3-CG 4.45Å; W45-L247 HydrophobicContact CG-CD2 4.22Å; W45-L247 HydrophobicContact CH2-CB 3.74Å; W45-L247 HydrophobicContact CZ2-CB 3.89Å; W45-L247 HydrophobicContact CZ3-CB 3.66Å; W45-L247 HydrophobicContact CZ3-CD2 4.48Å
46L91.4Very high87.8Confident0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-66.4-46.6173.8-74.6170.8000112.1G42 V43 Q44 Q48 S49 L50 C56 L58 L73 L187G42-L46 WeakPolarHBondContact O-CB 3.44Å; G42-L46 VanDerWaalsContact O-CG 3.27Å; G42-L46 WeakPolarHBondContact O-CG 3.47Å; G42-L46 PolarHBondContact O-N 3.39Å; V43-L46 PolarHBondContact O-N 3.23Å; Q44-L46 PolarHBondContact O-N 3.47Å; L46-Q48 VanDerWaalsContact C-N 3.34Å; L46-Q48 PolarHBondContact O-N 3.38Å; L46-S49 PolarHBondContact O-N 3.36Å; L46-L50 PolarHBondContact O-N 2.79Å; L46-C56 HydrophobicContact CD2-CB 4.06Å; L46-L58 HydrophobicContact CD1-CD2 4.47Å; L46-L73 HydrophobicContact CB-CD1 4.01Å; L46-L73 HydrophobicContact CB-CD2 4.12Å; L46-L187 HydrophobicContact CD2-CD1 3.62Å; L46-L187 HydrophobicContact CD2-CD2 4.29Å
47T88Confident88Confident1 Ų129 Ų291%0.00615%0.151CC..Hα-helixtrans-59.6-43.6176.6-76.30000111.5L20 V43 Q44 L50 H51 F76L20-T47 HydrophobicContact CD1-CG2 3.95Å; V43-T47 VanDerWaalsContact O-CB 3.32Å; V43-T47 WeakPolarHBondContact O-CB 3.11Å; V43-T47 PolarHBondContact O-N 2.9Å; V43-T47 PolarHBondContact O-OG1 3.01Å; Q44-T47 PolarHBondContact O-N 3.27Å; T47-L50 WeakPolarHBondContact O-CB 3.4Å; T47-L50 PolarHBondContact O-N 2.96Å; T47-H51 PolarHBondContact O-CD2 2.91Å; T47-H51 PolarHBondContact O-N 3.03Å; T47-H51 VanDerWaalsContact O-N 3.12Å; T47-F76 HydrophobicContact CG2-CD1 3.95Å; T47-F76 HydrophobicContact CG2-CE1 3.37Å; T47-F76 HydrophobicContact CG2-CE2 4.26Å; T47-F76 HydrophobicContact CG2-CZ 3.55Å
48Q86.1Confident88.3Confident22 Ų2225.3 Ų25.310%0.10312%0.121CC..Hα-helixtrans-59-51.8174.9177.1131.947.700111.6K15 K16 Q44 L46 L50 H51 D52K15-Q48 VanDerWaalsContact C-OE1 3.28Å; K15-Q48 HydrophobicContact CB-CG 4.11Å; K15-Q48 HydrophobicContact CD-CG 4.17Å; K15-Q48 HydrophobicContact CG-CG 3.96Å; K16-Q48 VanDerWaalsContact C-OE1 3.29Å; K16-Q48 VanDerWaalsContact N-NE2 3.16Å; K16-Q48 PolarHBondContact O-NE2 3.48Å; K16-Q48 PolarHBondContact O-OE1 3.39Å; Q44-Q48 WeakPolarHBondContact O-CB 3.39Å; Q44-Q48 PolarHBondContact O-N 3.31Å; L46-Q48 VanDerWaalsContact C-N 3.34Å; L46-Q48 PolarHBondContact O-N 3.38Å; Q48-L50 PolarHBondContact O-N 3.48Å; Q48-H51 WeakPolarHBondContact O-CA 3.19Å; Q48-H51 WeakPolarHBondContact O-CB 3.35Å; Q48-H51 PolarHBondContact O-N 3.34Å; Q48-D52 VanDerWaalsContact CG-OD2 3.3Å; Q48-D52 WeakPolarHBondContact CG-OD2 3.42Å; Q48-D52 PolarHBondContact O-N 3.33Å
49S87.8Confident88.2Confident0 Ų024.6 Ų24.60%012%0.118CC..Hα-helixtrans-61.7-31.1-178.6-48.50000112.6K15 W45 L46 D52 H53 Q54 C56K15-S49 PolarHBondContact NZ-OG 3.21Å; W45-S49 WeakPolarHBondContact O-CB 3.36Å; W45-S49 PolarHBondContact O-N 3.43Å; W45-S49 VanDerWaalsContact O-N 3.09Å; W45-S49 PolarHBondContact O-OG 2.61Å; L46-S49 PolarHBondContact O-N 3.36Å; S49-D52 PolarHBondContact O-N 3.22Å; S49-H53 PolarHBondContact O-N 3.28Å; S49-H53 VanDerWaalsContact O-N 3.11Å; S49-Q54 PolarHBondContact O-N 2.94Å; S49-C56 WeakPolarHBondContact CB-SG 3.2Å
50L86.1Confident88.1Confident19 Ų1924.1 Ų24.110%0.09912%0.116CC..Hα-helixtrans-65.4-43.6171175.269.6000112.5L46 T47 Q48 H53 L73 V77 L81 F185L46-L50 PolarHBondContact O-N 2.79Å; T47-L50 WeakPolarHBondContact O-CB 3.4Å; T47-L50 PolarHBondContact O-N 2.96Å; Q48-L50 PolarHBondContact O-N 3.48Å; L50-H53 PolarHBondContact O-N 2.87Å; L50-H53 PolarHBondContact O-ND1 2.88Å; L50-L73 HydrophobicContact CD2-CD1 4.38Å; L50-V77 HydrophobicContact CD2-CG2 3.32Å; L50-L81 HydrophobicContact CD2-CD1 4.28Å; L50-F185 HydrophobicContact CB-CD2 4.1Å; L50-F185 HydrophobicContact CB-CE2 3.91Å; L50-F185 HydrophobicContact CB-CZ 4.26Å; L50-F185 HydrophobicContact CD1-CB 3.54Å; L50-F185 HydrophobicContact CD1-CD1 4.05Å; L50-F185 HydrophobicContact CD1-CD2 3.67Å; L50-F185 HydrophobicContact CD1-CE2 4.31Å; L50-F185 HydrophobicContact CD1-CG 3.51Å
51H84.1Confident87.7Confident96 Ų9624.6 Ų24.644%0.44412%0.118SC..Hα-helixtrans-64.3-38.5174.2-75.9-69.8000112.1T47 Q48 H53 F76T47-H51 PolarHBondContact O-CD2 2.91Å; T47-H51 PolarHBondContact O-N 3.03Å; T47-H51 VanDerWaalsContact O-N 3.12Å; Q48-H51 WeakPolarHBondContact O-CA 3.19Å; Q48-H51 WeakPolarHBondContact O-CB 3.35Å; Q48-H51 PolarHBondContact O-N 3.34Å; H51-H53 PolarHBondContact O-N 2.87Å; H51-F76 AromaticContact NE2-CE1 3.94Å; H51-F76 AromaticContact NE2-CZ 3.91Å
52D82.7Confident87.4Confident42 Ų4222.3 Ų22.323%0.22511%0.105CC..THydrogen-bonded Turntrans-77.7-0.2175.8-61.5-55.5000113.4T13 Q48 S49 Q54T13-D52 PolarHBondContact OG1-OD1 2.9Å; T13-D52 VanDerWaalsContact OG1-OD1 3.1Å; Q48-D52 VanDerWaalsContact CG-OD2 3.3Å; Q48-D52 WeakPolarHBondContact CG-OD2 3.42Å; Q48-D52 PolarHBondContact O-N 3.33Å; S49-D52 PolarHBondContact O-N 3.22Å; D52-Q54 VanDerWaalsContact C-N 3.28Å; D52-Q54 HydrophobicContact CB-CG 4.15Å; D52-Q54 VanDerWaalsContact CB-NE2 3.35Å; D52-Q54 PolarHBondContact O-N 3.36Å
53H82.9Confident86.7Confident140 Ų14022.9 Ų22.965%0.64811%0.111SC*.THydrogen-bonded Turntrans53.239.1-175.6-60.4-28.1000114.3S49 L50 H51 Q209S49-H53 PolarHBondContact O-N 3.28Å; S49-H53 VanDerWaalsContact O-N 3.11Å; L50-H53 PolarHBondContact O-N 2.87Å; L50-H53 PolarHBondContact O-ND1 2.88Å; H51-H53 PolarHBondContact O-N 2.87Å; H53-Q209 PolarHBondContact O-NE2 2.86Å
54Q86.1Confident86.4Confident5 Ų522.9 Ų22.92%0.02311%0.111CC..  trans-109.8117.6177.3-67.1163.828.700110S49 D52 C56 F185 F245S49-Q54 PolarHBondContact O-N 2.94Å; D52-Q54 VanDerWaalsContact C-N 3.28Å; D52-Q54 HydrophobicContact CB-CG 4.15Å; D52-Q54 VanDerWaalsContact CB-NE2 3.35Å; D52-Q54 PolarHBondContact O-N 3.36Å; Q54-C56 PolarHBondContact O-SG 3.48Å; Q54-F185 WeakPolarHBondContact O-CE2 3.42Å; Q54-F245 HydrophobicContact CB-CE1 4.46Å
55G87.7Confident86.3Confident3 Ų321.6 Ų21.63%0.03111%0.107CC..  trans-63.3160.6172.300000113R186G55-R186 CarbonylContact C-O 3.56Å; G55-R186 WeakPolarHBondContact CA-O 3.45Å
56C91.8Very high86.3Confident0 Ų020.7 Ų20.70%010%0.104CC..EExtended strand (participates in β ladder)trans-136151.3-167.7-60.40000114.8W45 L46 S49 Q54 R186 L187 L188 I208W45-C56 HydrophobicContact CH2-CB 3.83Å; W45-C56 HydrophobicContact CZ3-CB 3.7Å; L46-C56 HydrophobicContact CD2-CB 4.06Å; S49-C56 WeakPolarHBondContact CB-SG 3.2Å; Q54-C56 PolarHBondContact O-SG 3.48Å; C56-R186 PolarHBondContact N-O 3.01Å; C56-L187 HydrophobicContact CB-CD1 3.93Å; C56-L188 PolarHBondContact O-N 3.46Å; C56-I208 VanDerWaalsContact C-CD1 3.45Å; C56-I208 WeakPolarHBondContact O-CD1 3.38Å
57I91.4Very high86.3Confident1 Ų121.3 Ų21.31%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-106.5117.6162.4-33.5-136.3000108G59 L188 T190 P193 L204 I208 F245 L246 L247I57-G59 PolarHBondContact O-N 3.08Å; I57-L188 CarbonylContact C-O 3.54Å; I57-L188 WeakPolarHBondContact CA-O 3.48Å; I57-T190 HydrophobicContact CG2-CG2 3.66Å; I57-P193 HydrophobicContact CG2-CB 4.36Å; I57-L204 HydrophobicContact CD1-CB 4.02Å; I57-L204 HydrophobicContact CD1-CD1 4.48Å; I57-I208 HydrophobicContact CB-CD1 4.49Å; I57-I208 HydrophobicContact CD1-CD1 3.88Å; I57-I208 HydrophobicContact CG1-CD1 3.52Å; I57-F245 PolarHBondContact N-O 2.92Å; I57-L246 HydrophobicContact CB-CB 4.45Å; I57-L246 HydrophobicContact CB-CD1 3.7Å; I57-L246 HydrophobicContact CG1-CD1 4.44Å; I57-L246 HydrophobicContact CG2-CD1 3.76Å; I57-L247 PolarHBondContact O-N 3.34Å
58L91.4Very high86.4Confident0 Ų021.9 Ų21.90%011%0.112CC..EExtended strand (participates in β ladder)trans-92.194.2163.3-169.562.6000108.4L46 K66 Q69 L187 L188 L189 T190 L247L46-L58 HydrophobicContact CD1-CD2 4.47Å; L58-K66 HydrophobicContact CB-CD 4.26Å; L58-K66 HydrophobicContact CD2-CB 3.86Å; L58-K66 HydrophobicContact CD2-CD 4.08Å; L58-K66 HydrophobicContact CD2-CG 3.7Å; L58-K66 HydrophobicContact CG-CD 3.83Å; L58-K66 HydrophobicContact CG-CG 3.89Å; L58-K66 WeakPolarHBondContact O-CD 3.41Å; L58-Q69 HydrophobicContact CD2-CB 4.21Å; L58-L187 HydrophobicContact CB-CD1 4.36Å; L58-L188 PolarHBondContact N-O 2.92Å; L58-L189 HydrophobicContact CB-CD2 3.82Å; L58-L189 HydrophobicContact CD2-CD2 4.16Å; L58-T190 PolarHBondContact O-N 2.97Å; L58-T190 VanDerWaalsContact O-N 3.07Å; L58-L247 HydrophobicContact CD1-CB 4.17Å; L58-L247 HydrophobicContact CD1-CD2 3.89Å; L58-L247 HydrophobicContact CD1-CG 4.12Å
59G87.3Confident86.7Confident0 Ų020.9 Ų20.90%011%0.107CC..  trans-95.711.9-176.800000115I57 T190 L247 R248I57-G59 PolarHBondContact O-N 3.08Å; G59-T190 WeakPolarHBondContact CA-O 3.4Å; G59-L247 WeakPolarHBondContact CA-O 3.38Å; G59-L247 PolarHBondContact N-O 3.27Å; G59-R248 WeakPolarHBondContact O-CG 3.43Å
60D87.1Confident87Confident0 Ų020.9 Ų20.90%011%0.107CC..  trans-44.1144.8171.9-80-16.5000112.6L64 K66 Q69 L247 R249D60-L64 HydrophobicContact CB-CB 4.28Å; D60-L64 HydrophobicContact CB-CD1 4.21Å; D60-K66 HydrophobicContact CB-CD 4.09Å; D60-K66 HydrophobicContact CB-CG 3.85Å; D60-K66 PolarHBondContact O-NZ 3.36Å; D60-Q69 PolarHBondContact OD2-NE2 3.5Å; D60-L247 PolarHBondContact N-O 3.03Å; D60-R249 VanDerWaalsContact CG-NH2 3.31Å; D60-R249 IonicContact OD1-CZ 3.8Å; D60-R249 PolarHBondContact OD1-N 3.41Å; D60-R249 IonicContact OD1-NE 3.75Å; D60-R249 PolarHBondContact OD1-NE 2.83Å; D60-R249 IonicContact OD1-NH2 2.61Å; D60-R249 PolarHBondContact OD1-NH2 2.86Å; D60-R249 VanDerWaalsContact OD1-NH2 3.08Å; D60-R249 IonicContact OD2-CZ 3.73Å; D60-R249 IonicContact OD2-NE 3.43Å; D60-R249 IonicContact OD2-NH2 2.62Å; D60-R249 PolarHBondContact OD2-NH2 3.01Å
61E81.3Confident87.3Confident42 Ų4220 Ų2020%0.19610%0.102CC..  trans-56.5157.9176.5-150.7-146.9119.800113.6G63 L64 R249 K251E61-G63 PolarHBondContact O-N 2.73Å; E61-L64 HydrophobicContact CB-CD1 3.88Å; E61-L64 HydrophobicContact CB-CG 4.27Å; E61-L64 PolarHBondContact O-N 2.96Å; E61-R249 PolarHBondContact N-O 3.18Å; E61-K251 VanDerWaalsContact OE1-CD 3.23Å; E61-K251 WeakPolarHBondContact OE1-CD 3.13Å; E61-K251 WeakPolarHBondContact OE1-CE 3.23Å; E61-K251 IonicContact OE1-NZ 3.94Å; E61-K251 PolarHBondContact OE1-NZ 3.22Å; E61-K251 WeakPolarHBondContact OE2-CB 3.22Å; E61-K251 WeakPolarHBondContact OE2-CD 3.49Å; E61-K251 VanDerWaalsContact OE2-CG 3.23Å; E61-K251 WeakPolarHBondContact OE2-CG 3.31Å; E61-K251 PolarHBondContact OE2-N 3.47Å
62M80.6Confident87.6Confident23 Ų2315.4 Ų15.411%0.1138%0.081CC..THydrogen-bonded Turntrans-66.2116.8-174.9-60.2-161.26900112K251 Q440 A443M62-K251 WeakPolarHBondContact O-CE 3.43Å; M62-K251 PolarHBondContact O-NZ 2.8Å; M62-Q440 HydrophobicContact CE-CG 3.42Å; M62-Q440 VanDerWaalsContact CE-CG 3.42Å; M62-Q440 HydrophobicContact SD-CB 4.29Å; M62-Q440 HydrophobicContact SD-CG 3.57Å; M62-Q440 VanDerWaalsContact SD-CG 3.57Å; M62-A443 HydrophobicContact CB-CB 3.87Å
63G76.8Confident88Confident12 Ų1213.4 Ų13.412%0.1247%0.07CC..THydrogen-bonded Turntrans106.3-7.4179.100000115.2E61 G65E61-G63 PolarHBondContact O-N 2.73Å; G63-G65 PolarHBondContact O-N 2.79Å
64L84.3Confident88.4Confident0 Ų06.8 Ų6.80%04%0.04CC..SBendtrans-71.47.9179-66.5-177.4000115.4Y38 Q39 D60 E61 R249 K251 V254 A255 I448Y38-L64 HydrophobicContact CE2-CB 4.1Å; Y38-L64 WeakPolarHBondContact CE2-O 3.37Å; Y38-L64 PolarHBondContact OH-O 3.34Å; Q39-L64 PolarHBondContact NE2-O 2.88Å; D60-L64 HydrophobicContact CB-CB 4.28Å; D60-L64 HydrophobicContact CB-CD1 4.21Å; E61-L64 HydrophobicContact CB-CD1 3.88Å; E61-L64 HydrophobicContact CB-CG 4.27Å; E61-L64 PolarHBondContact O-N 2.96Å; L64-R249 WeakPolarHBondContact CD1-O 3.4Å; L64-K251 HydrophobicContact CD2-CG 3.74Å; L64-K251 HydrophobicContact CG-CG 4.32Å; L64-V254 HydrophobicContact CD1-CG2 3.86Å; L64-V254 HydrophobicContact CD2-CG2 3.62Å; L64-V254 HydrophobicContact CG-CG2 4.38Å; L64-A255 HydrophobicContact CD2-CB 4.35Å; L64-I448 HydrophobicContact CD2-CD1 4.33Å
65G87.1Confident88.5Confident6 Ų66.5 Ų6.56%0.0624%0.038CC..  trans80.737.5175.600000114.8G63 T67 C68 Q69G63-G65 PolarHBondContact O-N 2.79Å; G65-T67 VanDerWaalsContact C-N 3.3Å; G65-T67 PolarHBondContact O-N 2.91Å; G65-C68 PolarHBondContact O-N 2.98Å; G65-C68 VanDerWaalsContact O-N 3.16Å; G65-Q69 PolarHBondContact O-N 2.66Å
66K91.2Very high88.5Confident22 Ų227.3 Ų7.310%0.0964%0.041CC..Hα-helixtrans-51.5-47.1173.2-71.9-161.6-73.2-910112.6L58 D60 C68 Q69 T70 L189 T190L58-K66 HydrophobicContact CB-CD 4.26Å; L58-K66 HydrophobicContact CD2-CB 3.86Å; L58-K66 HydrophobicContact CD2-CD 4.08Å; L58-K66 HydrophobicContact CD2-CG 3.7Å; L58-K66 HydrophobicContact CG-CD 3.83Å; L58-K66 HydrophobicContact CG-CG 3.89Å; L58-K66 WeakPolarHBondContact O-CD 3.41Å; D60-K66 HydrophobicContact CB-CD 4.09Å; D60-K66 HydrophobicContact CB-CG 3.85Å; D60-K66 PolarHBondContact O-NZ 3.36Å; K66-C68 VanDerWaalsContact C-N 3.32Å; K66-C68 PolarHBondContact O-N 2.83Å; K66-Q69 WeakPolarHBondContact O-CB 3.24Å; K66-Q69 PolarHBondContact O-N 2.94Å; K66-T70 PolarHBondContact O-N 3.09Å; K66-T70 PolarHBondContact O-OG1 3.03Å; K66-L189 HydrophobicContact CD-CB 4.34Å; K66-T190 VanDerWaalsContact CE-O 3.26Å; K66-T190 WeakPolarHBondContact CE-O 3.4Å; K66-T190 PolarHBondContact NZ-O 2.79Å
67T90.9Very high88.2Confident13 Ų137.5 Ų7.58%0.084%0.042CC..Hα-helixtrans-52.9-47.4175.9-45.90000111.7G65 T70 I71 W99 E102G65-T67 VanDerWaalsContact C-N 3.3Å; G65-T67 PolarHBondContact O-N 2.91Å; T67-T70 PolarHBondContact O-N 2.85Å; T67-I71 HydrophobicContact CG2-CD1 4Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.37Å; T67-I71 PolarHBondContact O-N 3.25Å; T67-W99 HydrophobicContact CG2-CD2 3.77Å; T67-W99 HydrophobicContact CG2-CE3 3.74Å; T67-W99 HydrophobicContact CG2-CG 4.48Å; T67-W99 HydrophobicContact CG2-CH2 3.87Å; T67-W99 HydrophobicContact CG2-CZ2 3.87Å; T67-W99 HydrophobicContact CG2-CZ3 3.8Å; T67-E102 VanDerWaalsContact CB-OE2 3.31Å; T67-E102 WeakPolarHBondContact CB-OE2 3.37Å; T67-E102 HydrophobicContact CG2-CB 4.34Å; T67-E102 WeakPolarHBondContact CG2-OE2 3.39Å
68C90.1Very high87.7Confident14 Ų148.7 Ų8.710%0.0955%0.05CC..Hα-helixtrans-66.5-40.4179.6-38.20000112.5I33 G65 K66 S72 E102I33-C68 HydrophobicContact CD1-CB 3.85Å; G65-C68 PolarHBondContact O-N 2.98Å; G65-C68 VanDerWaalsContact O-N 3.16Å; K66-C68 VanDerWaalsContact C-N 3.32Å; K66-C68 PolarHBondContact O-N 2.83Å; C68-S72 WeakPolarHBondContact O-CB 3.21Å; C68-S72 PolarHBondContact O-N 2.85Å; C68-S72 PolarHBondContact O-OG 3.19Å; C68-E102 PolarHBondContact SG-OE2 3.21Å; C68-E102 VanDerWaalsContact SG-OE2 3.33Å
69Q92.4Very high87Confident0 Ų010.3 Ų10.30%07%0.068CC..Hα-helixtrans-61.7-43.7172.5-70.2175.289.400111Q39 V43 L58 D60 G65 K66 S72 L73Q39-Q69 HydrophobicContact CB-CG 3.9Å; Q39-Q69 HydrophobicContact CG-CG 4.15Å; V43-Q69 HydrophobicContact CG2-CB 4.15Å; V43-Q69 HydrophobicContact CG2-CG 4.36Å; L58-Q69 HydrophobicContact CD2-CB 4.21Å; D60-Q69 PolarHBondContact OD2-NE2 3.5Å; G65-Q69 PolarHBondContact O-N 2.66Å; K66-Q69 WeakPolarHBondContact O-CB 3.24Å; K66-Q69 PolarHBondContact O-N 2.94Å; Q69-S72 WeakPolarHBondContact O-CB 3.44Å; Q69-S72 PolarHBondContact O-N 3.21Å; Q69-L73 PolarHBondContact O-N 3.19Å
70T93.7Very high86Confident0 Ų012.3 Ų12.30%08%0.084CC..Hα-helixtrans-65.6-42.8177.8-55.50000112.9K66 T67 S72 L73 L74 W99 V160 L187 L189K66-T70 PolarHBondContact O-N 3.09Å; K66-T70 PolarHBondContact O-OG1 3.03Å; T67-T70 PolarHBondContact O-N 2.85Å; T70-S72 VanDerWaalsContact C-N 3.29Å; T70-S72 PolarHBondContact O-N 2.88Å; T70-L73 WeakPolarHBondContact O-CB 3.26Å; T70-L73 PolarHBondContact O-N 2.97Å; T70-L74 WeakPolarHBondContact O-CG 3.46Å; T70-L74 PolarHBondContact O-N 3.19Å; T70-W99 HydrophobicContact CG2-CH2 3.91Å; T70-W99 HydrophobicContact CG2-CZ3 4.31Å; T70-V160 HydrophobicContact CG2-CB 4.4Å; T70-V160 HydrophobicContact CG2-CG1 3.82Å; T70-V160 HydrophobicContact CG2-CG2 3.63Å; T70-L187 HydrophobicContact CG2-CD2 3.76Å; T70-L189 WeakPolarHBondContact OG1-CD2 3.39Å
71I92.5Very high84.9Confident0 Ų015.7 Ų15.70%010%0.102CC..Hα-helixtrans-64-38.7176.4-66.9167000110.4T67 L73 L74 V75 W99 E102 L103 F106 A107T67-I71 HydrophobicContact CG2-CD1 4Å; T67-I71 VanDerWaalsContact O-CG1 3.3Å; T67-I71 WeakPolarHBondContact O-CG1 3.37Å; T67-I71 PolarHBondContact O-N 3.25Å; I71-L73 VanDerWaalsContact C-N 3.32Å; I71-L73 PolarHBondContact O-N 3.02Å; I71-L74 PolarHBondContact O-N 3.19Å; I71-V75 WeakPolarHBondContact O-CG2 3.45Å; I71-V75 PolarHBondContact O-N 3.27Å; I71-W99 HydrophobicContact CD1-CE3 4.48Å; I71-W99 HydrophobicContact CD1-CZ3 4.44Å; I71-W99 HydrophobicContact CG1-CE3 4.5Å; I71-W99 HydrophobicContact CG1-CZ3 4.07Å; I71-E102 HydrophobicContact CD1-CB 3.54Å; I71-L103 HydrophobicContact CD1-CD2 4.22Å; I71-L103 HydrophobicContact CD1-CG 4.1Å; I71-L103 HydrophobicContact CG1-CD2 3.8Å; I71-L103 HydrophobicContact CG1-CG 4.2Å; I71-L103 HydrophobicContact CG2-CD2 4.21Å; I71-F106 HydrophobicContact CD1-CD2 4.17Å; I71-F106 HydrophobicContact CG2-CB 4.13Å; I71-A107 HydrophobicContact CG2-CB 3.75Å
72S91.3Very high83.9Confident1 Ų116.7 Ų16.71%0.00712%0.123CC..Hα-helixtrans-63.1-36.7175.3-55.90000112.5C68 Q69 T70 F76C68-S72 WeakPolarHBondContact O-CB 3.21Å; C68-S72 PolarHBondContact O-N 2.85Å; C68-S72 PolarHBondContact O-OG 3.19Å; Q69-S72 WeakPolarHBondContact O-CB 3.44Å; Q69-S72 PolarHBondContact O-N 3.21Å; T70-S72 VanDerWaalsContact C-N 3.29Å; T70-S72 PolarHBondContact O-N 2.88Å; S72-F76 PolarHBondContact O-N 3.35Å
73L90.4Very high83Confident0 Ų020 Ų200%014%0.137CC..Hα-helixtrans-62.5-48.8170-179.369.9000111.3L46 L50 Q69 T70 I71 V75 F76 V77 F185 L187L46-L73 HydrophobicContact CB-CD1 4.01Å; L46-L73 HydrophobicContact CB-CD2 4.12Å; L50-L73 HydrophobicContact CD2-CD1 4.38Å; Q69-L73 PolarHBondContact O-N 3.19Å; T70-L73 WeakPolarHBondContact O-CB 3.26Å; T70-L73 PolarHBondContact O-N 2.97Å; I71-L73 VanDerWaalsContact C-N 3.32Å; I71-L73 PolarHBondContact O-N 3.02Å; L73-V75 VanDerWaalsContact C-N 3.3Å; L73-V75 PolarHBondContact O-N 3.47Å; L73-F76 WeakPolarHBondContact O-CB 3.37Å; L73-F76 PolarHBondContact O-N 3.18Å; L73-F76 VanDerWaalsContact O-N 3.08Å; L73-V77 WeakPolarHBondContact O-CG2 3.44Å; L73-V77 PolarHBondContact O-N 3.26Å; L73-F185 HydrophobicContact CD2-CE1 3.88Å; L73-F185 HydrophobicContact CD2-CZ 4.49Å; L73-L187 HydrophobicContact CD2-CD2 4.03Å
74L90.4Very high82.4Confident0 Ų028.5 Ų28.50%017%0.171CC..Hα-helixtrans-60.6-39179.6-64.1180000112.4T70 I71 V77 S78 F87 V89 L110 V158T70-L74 WeakPolarHBondContact O-CG 3.46Å; T70-L74 PolarHBondContact O-N 3.19Å; I71-L74 PolarHBondContact O-N 3.19Å; L74-V77 PolarHBondContact O-N 2.94Å; L74-S78 PolarHBondContact O-N 3.11Å; L74-F87 HydrophobicContact CD2-CB 4.06Å; L74-F87 HydrophobicContact CD2-CD1 3.95Å; L74-F87 HydrophobicContact CD2-CD2 4.13Å; L74-F87 HydrophobicContact CD2-CE1 4.4Å; L74-F87 HydrophobicContact CD2-CG 3.79Å; L74-V89 HydrophobicContact CD1-CG2 4.45Å; L74-L110 HydrophobicContact CB-CD1 4.21Å; L74-V158 HydrophobicContact CD2-CB 4.09Å; L74-V158 HydrophobicContact CD2-CG1 3.97Å; L74-V158 HydrophobicContact CD2-CG2 4.34Å
75V88.8Confident81.5Confident0 Ų028.8 Ų28.80%017%0.173CC..Hα-helixtrans-61.6-44.8172.3169.90000111.2F28 L30 I71 L73 V77 S78 G79 A107 L110F28-V75 HydrophobicContact CB-CG1 3.89Å; L30-V75 HydrophobicContact CB-CG1 4.26Å; I71-V75 WeakPolarHBondContact O-CG2 3.45Å; I71-V75 PolarHBondContact O-N 3.27Å; L73-V75 VanDerWaalsContact C-N 3.3Å; L73-V75 PolarHBondContact O-N 3.47Å; V75-V77 PolarHBondContact O-N 3.28Å; V75-S78 PolarHBondContact O-N 2.95Å; V75-G79 PolarHBondContact O-N 3.43Å; V75-A107 HydrophobicContact CG2-CB 3.43Å; V75-A107 VanDerWaalsContact CG2-CB 3.43Å; V75-L110 HydrophobicContact CG2-CD1 4.32Å
76F87.1Confident81.5Confident20 Ų2029.1 Ų29.19%0.08817%0.174CC..Hα-helixtrans-60.4-43.2174.8176.6-94.1000112.3L20 L25 F28 T47 H51 S72 L73 S78 A80L20-F76 HydrophobicContact CD1-CD2 3.59Å; L20-F76 HydrophobicContact CD1-CE2 3.62Å; L20-F76 HydrophobicContact CD1-CG 4.25Å; L20-F76 HydrophobicContact CD1-CZ 4.31Å; L25-F76 HydrophobicContact CD2-CB 4.23Å; F28-F76 HydrophobicContact CD2-CD2 4.07Å; F28-F76 AromaticContact CE2-CD2 3.84Å; F28-F76 HydrophobicContact CE2-CD2 3.84Å; F28-F76 HydrophobicContact CE2-CE2 4.16Å; T47-F76 HydrophobicContact CG2-CD1 3.95Å; T47-F76 HydrophobicContact CG2-CE1 3.37Å; T47-F76 HydrophobicContact CG2-CE2 4.26Å; T47-F76 HydrophobicContact CG2-CZ 3.55Å; H51-F76 AromaticContact NE2-CE1 3.94Å; H51-F76 AromaticContact NE2-CZ 3.91Å; S72-F76 PolarHBondContact O-N 3.35Å; L73-F76 WeakPolarHBondContact O-CB 3.37Å; L73-F76 PolarHBondContact O-N 3.18Å; L73-F76 VanDerWaalsContact O-N 3.08Å; F76-S78 PolarHBondContact O-N 3.07Å; F76-A80 HydrophobicContact CD2-CB 3.59Å; F76-A80 HydrophobicContact CE1-CB 4.33Å; F76-A80 HydrophobicContact CE2-CB 3.38Å; F76-A80 HydrophobicContact CG-CB 4.18Å; F76-A80 HydrophobicContact CZ-CB 3.78Å; F76-A80 VanDerWaalsContact O-CB 3.24Å; F76-A80 WeakPolarHBondContact O-CB 3.37Å; F76-A80 PolarHBondContact O-N 3.4Å
77V85.4Confident81.6Confident3 Ų328.1 Ų28.12%0.01817%0.169CC..Hα-helixtrans-64.7-39.5178-1770000112.2L50 L73 L74 V75 L81 F87L50-V77 HydrophobicContact CD2-CG2 3.32Å; L73-V77 WeakPolarHBondContact O-CG2 3.44Å; L73-V77 PolarHBondContact O-N 3.26Å; L74-V77 PolarHBondContact O-N 2.94Å; V75-V77 PolarHBondContact O-N 3.28Å; V77-L81 HydrophobicContact CG1-CD1 4.24Å; V77-F87 HydrophobicContact CB-CE1 4.17Å; V77-F87 HydrophobicContact CB-CZ 3.95Å; V77-F87 HydrophobicContact CG1-CE1 3.72Å; V77-F87 HydrophobicContact CG1-CZ 3.76Å
78S82.7Confident81.7Confident26 Ų2627.5 Ų27.518%0.18217%0.166CC..Hα-helixtrans-68.7-50.1177.6-171.20000111.9L74 V75 F76L74-S78 PolarHBondContact O-N 3.11Å; V75-S78 PolarHBondContact O-N 2.95Å; F76-S78 PolarHBondContact O-N 3.07Å
79G75.8Confident82Confident35 Ų3526.9 Ų26.936%0.36116%0.161SC..Hα-helixtrans-79.6-55.3-174.400000114.6V75 G82V75-G79 PolarHBondContact O-N 3.43Å; G79-G82 PolarHBondContact O-N 2.81Å
80A66.4Low82Confident42 Ų4226.9 Ų26.935%0.34716%0.161SC..THydrogen-bonded Turntrans-76.8-34.1-169.600000113.5F28 F76F28-A80 HydrophobicContact CD1-CB 4.33Å; F28-A80 HydrophobicContact CD2-CB 4.18Å; F28-A80 HydrophobicContact CE1-CB 3.9Å; F28-A80 HydrophobicContact CE2-CB 3.74Å; F28-A80 HydrophobicContact CG-CB 4.49Å; F28-A80 HydrophobicContact CZ-CB 3.6Å; F76-A80 HydrophobicContact CD2-CB 3.59Å; F76-A80 HydrophobicContact CE1-CB 4.33Å; F76-A80 HydrophobicContact CE2-CB 3.38Å; F76-A80 HydrophobicContact CG-CB 4.18Å; F76-A80 HydrophobicContact CZ-CB 3.78Å; F76-A80 VanDerWaalsContact O-CB 3.24Å; F76-A80 WeakPolarHBondContact O-CB 3.37Å; F76-A80 PolarHBondContact O-N 3.4Å
81L64.3Low81.9Confident71 Ų7126.9 Ų26.937%0.37216%0.161SC..SBendtrans-91.3-3.2176.7-65169.7000112.8L50 V77 K83L50-L81 HydrophobicContact CD2-CD1 4.28Å; V77-L81 HydrophobicContact CG1-CD1 4.24Å; L81-K83 HydrophobicContact CB-CD 4.43Å; L81-K83 HydrophobicContact CB-CG 4.21Å; L81-K83 PolarHBondContact O-N 3.4Å
82G61Low81.6Confident63 Ų6327.5 Ų27.565%0.64917%0.165SC*.  trans60.511.7-178.700000114.8G79G79-G82 PolarHBondContact O-N 2.81Å
83K60.7Low81.2Confident92 Ų9232.4 Ų32.440%0.419%0.191SC..  trans-80.8121.7-174.1-75.8-176.2172.2-1750110.1L81 G85 E157L81-K83 HydrophobicContact CB-CD 4.43Å; L81-K83 HydrophobicContact CB-CG 4.21Å; L81-K83 PolarHBondContact O-N 3.4Å; K83-G85 PolarHBondContact O-N 3.13Å; K83-E157 WeakPolarHBondContact CD-OE2 3.39Å; K83-E157 WeakPolarHBondContact CE-OE2 3.27Å; K83-E157 IonicContact NZ-OE2 2.77Å; K83-E157 PolarHBondContact NZ-OE2 3.04Å
84K64.4Low80.5Confident191 Ų19133.1 Ų33.183%0.8320%0.196SC*.  trans-71.156.2155.4-65.4-172178.1-173.70110.3
85G66.1Low80.1Confident5 Ų533.4 Ų33.45%0.05220%0.198CC..  trans-72.5140.4-179.500000110.9K83K83-G85 PolarHBondContact O-N 3.13Å
86L86.7Confident79.9Confident14 Ų1433.8 Ų33.87%0.07320%0.199CC..  trans-85.5127.5169.8-66.8171.8000108.9F134 W154 W156 E157L86-F134 HydrophobicContact CD2-CD2 4.08Å; L86-F134 HydrophobicContact CD2-CE2 3.8Å; L86-F134 HydrophobicContact CD2-CZ 4.27Å; L86-F134 WeakPolarHBondContact CD2-O 3.4Å; L86-W154 HydrophobicContact CD1-CB 3.76Å; L86-W154 HydrophobicContact CD1-CG 3.68Å; L86-W156 HydrophobicContact CB-CE3 3.75Å; L86-W156 HydrophobicContact CB-CZ3 3.94Å; L86-W156 CarbonylContact O-C 3.6Å; L86-W156 WeakPolarHBondContact O-CA 3.47Å; L86-E157 PolarHBondContact O-N 2.78Å
87F92.1Very high79.7Confident1 Ų134.4 Ų34.40%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-115.6127-177.3-50.3-51.6000109.9L74 V77 Q135 V136 L137 E157 V158L74-F87 HydrophobicContact CD2-CB 4.06Å; L74-F87 HydrophobicContact CD2-CD1 3.95Å; L74-F87 HydrophobicContact CD2-CD2 4.13Å; L74-F87 HydrophobicContact CD2-CE1 4.4Å; L74-F87 HydrophobicContact CD2-CG 3.79Å; V77-F87 HydrophobicContact CB-CE1 4.17Å; V77-F87 HydrophobicContact CB-CZ 3.95Å; V77-F87 HydrophobicContact CG1-CE1 3.72Å; V77-F87 HydrophobicContact CG1-CZ 3.76Å; F87-Q135 PolarHBondContact N-O 2.84Å; F87-V136 HydrophobicContact CB-CG2 4.31Å; F87-V136 HydrophobicContact CD2-CG2 3.94Å; F87-V136 CarbonylContact O-C 3.32Å; F87-V136 WeakPolarHBondContact O-CA 3.39Å; F87-L137 PolarHBondContact O-N 2.71Å; F87-E157 HydrophobicContact CD1-CB 4.37Å; F87-E157 HydrophobicContact CE1-CB 4.14Å; F87-V158 WeakPolarHBondContact CA-O 3.35Å; F87-V158 HydrophobicContact CD1-CB 3.8Å; F87-V158 HydrophobicContact CD1-CG2 3.97Å; F87-V158 HydrophobicContact CE1-CB 4.42Å; F87-V158 HydrophobicContact CE1-CG2 4.08Å
88L93.8Very high79.7Confident0 Ų036 Ų360%021%0.211CC..EExtended strand (participates in β ladder)trans-104.5121.9177-179.554.2000109.5L90 L137 T139 W156 V158 L159 V160 F181L88-L90 HydrophobicContact CD1-CD2 3.96Å; L88-L90 HydrophobicContact CD2-CD2 4.28Å; L88-L90 HydrophobicContact CG-CD2 4.02Å; L88-L90 HydrophobicContact CG-CG 4.34Å; L88-L137 HydrophobicContact CD1-CB 4.38Å; L88-L137 HydrophobicContact CD1-CD2 3.78Å; L88-T139 HydrophobicContact CD1-CG2 3.88Å; L88-W156 HydrophobicContact CB-CD2 3.69Å; L88-W156 HydrophobicContact CB-CE3 3.57Å; L88-W156 HydrophobicContact CB-CG 4.2Å; L88-W156 HydrophobicContact CB-CH2 4.33Å; L88-W156 HydrophobicContact CB-CZ2 4.43Å; L88-W156 HydrophobicContact CB-CZ3 3.91Å; L88-W156 HydrophobicContact CD1-CH2 4.35Å; L88-W156 HydrophobicContact CD1-CZ2 4.44Å; L88-W156 HydrophobicContact CD2-CD2 4.33Å; L88-W156 HydrophobicContact CD2-CZ2 4.33Å; L88-V158 PolarHBondContact N-O 2.81Å; L88-L159 HydrophobicContact CB-CD1 4.01Å; L88-L159 HydrophobicContact CD2-CD1 3.89Å; L88-L159 HydrophobicContact CG-CD1 3.8Å; L88-V160 PolarHBondContact O-N 3.22Å; L88-F181 HydrophobicContact CD2-CD2 3.92Å; L88-F181 HydrophobicContact CD2-CE2 3.75Å
89V95.2Very high80.1Confident0 Ų034.9 Ų34.90%020%0.203CC..EExtended strand (participates in β ladder)trans-112.3111.6174.3-175.40000109L74 W99 V136 L137 L138 T139 V160L74-V89 HydrophobicContact CD1-CG2 4.45Å; V89-W99 HydrophobicContact CG1-CD2 4.03Å; V89-W99 HydrophobicContact CG1-CE3 3.96Å; V89-W99 HydrophobicContact CG1-CH2 4.37Å; V89-W99 HydrophobicContact CG1-CZ2 4.44Å; V89-W99 HydrophobicContact CG1-CZ3 4.13Å; V89-V136 HydrophobicContact CG2-CG1 3.89Å; V89-L137 PolarHBondContact N-O 2.94Å; V89-L138 HydrophobicContact CB-CD1 3.79Å; V89-L138 HydrophobicContact CG1-CD1 3.6Å; V89-T139 PolarHBondContact O-N 2.99Å; V89-V160 HydrophobicContact CB-CB 4.49Å; V89-V160 HydrophobicContact CG1-CB 4.31Å; V89-V160 HydrophobicContact CG1-CG1 4.35Å; V89-V160 HydrophobicContact CG2-CB 4.19Å; V89-V160 HydrophobicContact CG2-CG2 4.31Å
90L94Very high80.8Confident0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-94.4125.3171.5-56.6-175.9000109.3L88 T139 Y141 C144 L159 V160 V161 D162 L178L88-L90 HydrophobicContact CD1-CD2 3.96Å; L88-L90 HydrophobicContact CD2-CD2 4.28Å; L88-L90 HydrophobicContact CG-CD2 4.02Å; L88-L90 HydrophobicContact CG-CG 4.34Å; L90-T139 WeakPolarHBondContact CA-O 3.38Å; L90-T139 HydrophobicContact CD2-CG2 3.42Å; L90-T139 VanDerWaalsContact CD2-CG2 3.42Å; L90-Y141 HydrophobicContact CB-CD1 4.33Å; L90-Y141 HydrophobicContact CB-CE1 4.34Å; L90-C144 HydrophobicContact CD2-CB 3.93Å; L90-L159 HydrophobicContact CD1-CD1 4.02Å; L90-L159 HydrophobicContact CG-CD1 4Å; L90-V160 PolarHBondContact N-O 2.69Å; L90-V161 HydrophobicContact CB-CG1 4.36Å; L90-V161 HydrophobicContact CD1-CG2 4.25Å; L90-D162 PolarHBondContact O-N 2.93Å; L90-L178 HydrophobicContact CD1-CD1 3.52Å; L90-L178 HydrophobicContact CD1-CD2 3.62Å; L90-L178 HydrophobicContact CD1-CG 4.22Å
91S91Very high81.8Confident0 Ų040.2 Ų40.20%021%0.206CC..  trans-148153.9-179.276.20000112.8T139 T140S91-T139 PolarHBondContact N-O 3.35Å; S91-T140 WeakPolarHBondContact O-CA 3.45Å
92P86.1Confident83Confident13 Ų1337.7 Ų37.78%0.08419%0.192CC..  trans-57.1146.6173.6-24.231.3000113.1S94 V95 M96 Y141 E163 V416P92-S94 PolarHBondContact O-N 2.72Å; P92-V95 HydrophobicContact CB-CG2 4.13Å; P92-V95 VanDerWaalsContact CD-CG2 3.47Å; P92-V95 HydrophobicContact CG-CG2 4.18Å; P92-V95 WeakPolarHBondContact O-CG2 3.42Å; P92-V95 PolarHBondContact O-N 3.17Å; P92-M96 PolarHBondContact O-N 3.29Å; P92-Y141 HydrophobicContact CB-CE2 4.43Å; P92-Y141 VanDerWaalsContact CD-OH 3.29Å; P92-Y141 WeakPolarHBondContact CD-OH 3.31Å; P92-Y141 HydrophobicContact CG-CE2 4Å; P92-E163 HydrophobicContact CG-CB 3.93Å; P92-E163 HydrophobicContact CG-CG 4.08Å; P92-V416 HydrophobicContact CB-CG1 3.78Å; P92-V416 HydrophobicContact CG-CG1 4.22Å
93L82Confident84.4Confident105 Ų10534.7 Ų34.755%0.5516%0.162SC..THydrogen-bonded Turntrans-54.6-29.4-177.2-176.960.1000114.2T140L93-T140 HydrophobicContact CB-CG2 4.07Å; L93-T140 HydrophobicContact CD1-CG2 3.99Å
94S76Confident85.8Confident15 Ų1534.5 Ų34.511%0.10516%0.162CC..THydrogen-bonded Turntrans-75.5-23.1176.953.20000114.9P92 V416P92-S94 PolarHBondContact O-N 2.72Å; S94-V416 WeakPolarHBondContact CB-O 3.49Å; S94-V416 VanDerWaalsContact OG-CG1 3.31Å; S94-V416 WeakPolarHBondContact OG-CG1 3.24Å; S94-V416 PolarHBondContact OG-O 2.72Å
95V81.9Confident86.8Confident6 Ų628.7 Ų28.74%0.03615%0.145CC..THydrogen-bonded Turntrans-98.4-14.9177.5-60.90000113.7P92 E97 N98 W99P92-V95 HydrophobicContact CB-CG2 4.13Å; P92-V95 VanDerWaalsContact CD-CG2 3.47Å; P92-V95 HydrophobicContact CG-CG2 4.18Å; P92-V95 WeakPolarHBondContact O-CG2 3.42Å; P92-V95 PolarHBondContact O-N 3.17Å; V95-E97 PolarHBondContact O-N 2.9Å; V95-E97 VanDerWaalsContact O-N 3.14Å; V95-N98 CarbonylContact O-C 3.56Å; V95-N98 WeakPolarHBondContact O-CA 3.08Å; V95-N98 WeakPolarHBondContact O-CB 3.48Å; V95-N98 PolarHBondContact O-N 3.19Å; V95-W99 PolarHBondContact O-N 2.98Å
96M85Confident87.9Confident7 Ų729.9 Ų29.93%0.03415%0.149CC..Hα-helixtrans-45.7-46.2177.1-74.4-91.6-7400112.5P92 N98 R100 K116 L138 T140P92-M96 PolarHBondContact O-N 3.29Å; M96-N98 VanDerWaalsContact C-N 3.31Å; M96-N98 PolarHBondContact O-N 2.65Å; M96-R100 WeakPolarHBondContact O-CB 3.37Å; M96-R100 PolarHBondContact O-N 3.25Å; M96-K116 HydrophobicContact CE-CB 4.04Å; M96-L138 WeakPolarHBondContact O-CD2 3.35Å; M96-L138 HydrophobicContact SD-CD1 4.14Å; M96-L138 HydrophobicContact SD-CG 3.82Å; M96-T140 HydrophobicContact CE-CG2 3.97Å; M96-T140 HydrophobicContact CG-CG2 3.77Å; M96-T140 HydrophobicContact SD-CG2 3.78Å
97E83.5Confident87.8Confident33 Ų3329.2 Ų29.215%0.15415%0.146CC..Hα-helixtrans-77.5-15.8-178-158.761.5-14100113.3V95 K101 K116V95-E97 PolarHBondContact O-N 2.9Å; V95-E97 VanDerWaalsContact O-N 3.14Å; E97-K101 VanDerWaalsContact O-CD 3.23Å; E97-K101 WeakPolarHBondContact O-CD 3.25Å; E97-K101 WeakPolarHBondContact O-CE 3.03Å; E97-K101 VanDerWaalsContact O-CG 3.31Å; E97-K101 WeakPolarHBondContact O-CG 3.42Å; E97-K116 IonicContact OE2-NZ 2.67Å; E97-K116 PolarHBondContact OE2-NZ 3.27Å
98N85.9Confident87.4Confident38 Ų3832.6 Ų32.620%0.20317%0.168CC..Hα-helixtrans-83.5-47.7170.1-175.789.4000110.7V95 M96 R100 K101 E102 N419V95-N98 CarbonylContact O-C 3.56Å; V95-N98 WeakPolarHBondContact O-CA 3.08Å; V95-N98 WeakPolarHBondContact O-CB 3.48Å; V95-N98 PolarHBondContact O-N 3.19Å; M96-N98 VanDerWaalsContact C-N 3.31Å; M96-N98 PolarHBondContact O-N 2.65Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 2.87Å; N98-K101 PolarHBondContact O-N 3.03Å; N98-K101 VanDerWaalsContact O-N 3.14Å; N98-E102 PolarHBondContact ND2-OE1 3.33Å; N98-E102 PolarHBondContact O-N 3.49Å; N98-N419 PolarHBondContact OD1-ND2 2.84Å
99W90.9Very high86.9Confident1 Ų135.5 Ų35.50%0.00419%0.188CC..Hα-helixtrans-54-45.1172.2-89.7100.2000112T67 T70 I71 V89 V95 K101 E102 L103 L138 V160 D162 L189T67-W99 HydrophobicContact CG2-CD2 3.77Å; T67-W99 HydrophobicContact CG2-CE3 3.74Å; T67-W99 HydrophobicContact CG2-CG 4.48Å; T67-W99 HydrophobicContact CG2-CH2 3.87Å; T67-W99 HydrophobicContact CG2-CZ2 3.87Å; T67-W99 HydrophobicContact CG2-CZ3 3.8Å; T70-W99 HydrophobicContact CG2-CH2 3.91Å; T70-W99 HydrophobicContact CG2-CZ3 4.31Å; I71-W99 HydrophobicContact CD1-CE3 4.48Å; I71-W99 HydrophobicContact CD1-CZ3 4.44Å; I71-W99 HydrophobicContact CG1-CE3 4.5Å; I71-W99 HydrophobicContact CG1-CZ3 4.07Å; V89-W99 HydrophobicContact CG1-CD2 4.03Å; V89-W99 HydrophobicContact CG1-CE3 3.96Å; V89-W99 HydrophobicContact CG1-CH2 4.37Å; V89-W99 HydrophobicContact CG1-CZ2 4.44Å; V89-W99 HydrophobicContact CG1-CZ3 4.13Å; V95-W99 PolarHBondContact O-N 2.98Å; W99-K101 PolarHBondContact O-N 3.43Å; W99-E102 PolarHBondContact O-N 3.36Å; W99-L103 HydrophobicContact CE3-CD1 4.49Å; W99-L103 WeakPolarHBondContact O-CB 3.31Å; W99-L103 WeakPolarHBondContact O-CD1 3.45Å; W99-L103 VanDerWaalsContact O-CG 3.32Å; W99-L103 WeakPolarHBondContact O-CG 3.4Å; W99-L103 PolarHBondContact O-N 3.47Å; W99-L138 HydrophobicContact CB-CD1 3.91Å; W99-L138 HydrophobicContact CB-CD2 3.76Å; W99-L138 HydrophobicContact CG-CD1 4.29Å; W99-V160 HydrophobicContact CH2-CG1 4.11Å; W99-V160 HydrophobicContact CZ2-CG1 4.49Å; W99-D162 HydrophobicContact CZ2-CB 4.17Å; W99-D162 PolarHBondContact NE1-OD2 2.94Å; W99-L189 HydrophobicContact CH2-CD1 3.85Å; W99-L189 HydrophobicContact CZ2-CD1 3.63Å
100R89.4Confident86.5Confident83 Ų8336 Ų3631%0.31319%0.191SC..Hα-helixtrans-52.6-53.9173.7-179.2-173.1176.3139.218.7111.5M96 N98 L103 E104 L138M96-R100 WeakPolarHBondContact O-CB 3.37Å; M96-R100 PolarHBondContact O-N 3.25Å; N98-R100 VanDerWaalsContact C-N 3.29Å; N98-R100 PolarHBondContact O-N 2.87Å; R100-L103 PolarHBondContact O-N 2.94Å; R100-E104 HydrophobicContact CG-CG 4.36Å; R100-E104 IonicContact CZ-OE1 2.85Å; R100-E104 VanDerWaalsContact NE-CD 3.31Å; R100-E104 IonicContact NE-OE1 2.81Å; R100-E104 PolarHBondContact NE-OE1 3.11Å; R100-E104 IonicContact NE-OE2 2.76Å; R100-E104 PolarHBondContact NE-OE2 3.13Å; R100-E104 IonicContact NH2-OE1 2.66Å; R100-E104 PolarHBondContact NH2-OE1 2.94Å; R100-E104 WeakPolarHBondContact O-CB 3.46Å; R100-E104 WeakPolarHBondContact O-CG 3.26Å; R100-E104 PolarHBondContact O-N 2.87Å; R100-L138 HydrophobicContact CB-CD2 4.2Å
101K87.8Confident86.2Confident106 Ų10639.2 Ų39.246%0.46121%0.21SC..Hα-helixtrans-69.6-38.4-175.5-69.4166.9-169.3155.90112.8E97 N98 W99 L103 S105E97-K101 VanDerWaalsContact O-CD 3.23Å; E97-K101 WeakPolarHBondContact O-CD 3.25Å; E97-K101 WeakPolarHBondContact O-CE 3.03Å; E97-K101 VanDerWaalsContact O-CG 3.31Å; E97-K101 WeakPolarHBondContact O-CG 3.42Å; N98-K101 PolarHBondContact O-N 3.03Å; N98-K101 VanDerWaalsContact O-N 3.14Å; W99-K101 PolarHBondContact O-N 3.43Å; K101-L103 VanDerWaalsContact C-N 3.35Å; K101-S105 WeakPolarHBondContact O-CB 3.24Å; K101-S105 PolarHBondContact O-N 2.85Å
102E89.9Confident86.1Confident18 Ų1841 Ų418%0.08422%0.221CC..Hα-helixtrans-64.8-39.4173.7-72.2-168.1-139.600110.8T67 C68 I71 N98 W99 F106T67-E102 VanDerWaalsContact CB-OE2 3.31Å; T67-E102 WeakPolarHBondContact CB-OE2 3.37Å; T67-E102 HydrophobicContact CG2-CB 4.34Å; T67-E102 WeakPolarHBondContact CG2-OE2 3.39Å; C68-E102 PolarHBondContact SG-OE2 3.21Å; C68-E102 VanDerWaalsContact SG-OE2 3.33Å; I71-E102 HydrophobicContact CD1-CB 3.54Å; N98-E102 PolarHBondContact ND2-OE1 3.33Å; N98-E102 PolarHBondContact O-N 3.49Å; W99-E102 PolarHBondContact O-N 3.36Å; E102-F106 HydrophobicContact CB-CD2 3.86Å; E102-F106 HydrophobicContact CB-CE2 3.69Å; E102-F106 HydrophobicContact CG-CD2 4.35Å; E102-F106 HydrophobicContact CG-CE2 3.65Å; E102-F106 HydrophobicContact CG-CZ 4.26Å; E102-F106 WeakPolarHBondContact O-CB 3.36Å; E102-F106 WeakPolarHBondContact O-CD2 3.2Å; E102-F106 VanDerWaalsContact O-CG 3.22Å; E102-F106 WeakPolarHBondContact O-CG 3.49Å; E102-F106 PolarHBondContact O-N 3.47Å; E102-F106 WeakPolarHBondContact OE2-CE2 3.22Å
103L90.6Very high86.3Confident1 Ų141.5 Ų41.51%0.00522%0.223CC..Hα-helixtrans-65.8-52.3173.4-75.2162000112.2I71 W99 R100 K101 S105 A107 V112 V136I71-L103 HydrophobicContact CD1-CD2 4.22Å; I71-L103 HydrophobicContact CD1-CG 4.1Å; I71-L103 HydrophobicContact CG1-CD2 3.8Å; I71-L103 HydrophobicContact CG1-CG 4.2Å; I71-L103 HydrophobicContact CG2-CD2 4.21Å; W99-L103 HydrophobicContact CE3-CD1 4.49Å; W99-L103 WeakPolarHBondContact O-CB 3.31Å; W99-L103 WeakPolarHBondContact O-CD1 3.45Å; W99-L103 VanDerWaalsContact O-CG 3.32Å; W99-L103 WeakPolarHBondContact O-CG 3.4Å; W99-L103 PolarHBondContact O-N 3.47Å; R100-L103 PolarHBondContact O-N 2.94Å; K101-L103 VanDerWaalsContact C-N 3.35Å; L103-S105 PolarHBondContact O-N 3.19Å; L103-A107 CarbonylContact O-C 3.59Å; L103-A107 VanDerWaalsContact O-C 3.3Å; L103-A107 WeakPolarHBondContact O-CA 3.41Å; L103-A107 PolarHBondContact O-N 3.42Å; L103-V112 HydrophobicContact CB-CG2 3.86Å; L103-V112 HydrophobicContact CD1-CG1 4.08Å; L103-V112 HydrophobicContact CD1-CG2 4.24Å; L103-V136 HydrophobicContact CD1-CG1 3.97Å
104E88.9Confident86.7Confident88 Ų8837.7 Ų37.741%0.41121%0.205SC..Hα-helixtrans-60.1-32.5179.3-73.5174.1157.200112.4R100R100-E104 HydrophobicContact CG-CG 4.36Å; R100-E104 IonicContact CZ-OE1 2.85Å; R100-E104 VanDerWaalsContact NE-CD 3.31Å; R100-E104 IonicContact NE-OE1 2.81Å; R100-E104 PolarHBondContact NE-OE1 3.11Å; R100-E104 IonicContact NE-OE2 2.76Å; R100-E104 PolarHBondContact NE-OE2 3.13Å; R100-E104 IonicContact NH2-OE1 2.66Å; R100-E104 PolarHBondContact NH2-OE1 2.94Å; R100-E104 WeakPolarHBondContact O-CB 3.46Å; R100-E104 WeakPolarHBondContact O-CG 3.26Å; R100-E104 PolarHBondContact O-N 2.87Å
105S86.9Confident87.4Confident68 Ų6837 Ų3748%0.47620%0.2SC..Hα-helixtrans-87.4-39.3-179.7-171.30000114.2K101 L103K101-S105 WeakPolarHBondContact O-CB 3.24Å; K101-S105 PolarHBondContact O-N 2.85Å; L103-S105 PolarHBondContact O-N 3.19Å
106F87.9Confident87.6Confident31 Ų3139.8 Ų39.814%0.13621%0.211CC..Hα-helixtrans-94.7-29-174.2-54.8-33.1000113.1L30 R31 I33 I71 E102 P108L30-F106 CarbonylContact C-O 3.58Å; L30-F106 WeakPolarHBondContact CA-O 3.38Å; L30-F106 HydrophobicContact CD1-CB 4.17Å; R31-F106 PolarHBondContact N-O 3.3Å; R31-F106 WeakPolarHBondContact O-CA 3.4Å; I33-F106 HydrophobicContact CB-CD1 3.82Å; I33-F106 HydrophobicContact CB-CE1 3.85Å; I33-F106 HydrophobicContact CB-CG 4.43Å; I33-F106 HydrophobicContact CB-CZ 4.45Å; I33-F106 HydrophobicContact CD1-CD2 4.47Å; I33-F106 HydrophobicContact CD1-CE1 4.11Å; I33-F106 HydrophobicContact CD1-CE2 4.01Å; I33-F106 HydrophobicContact CD1-CZ 3.83Å; I33-F106 HydrophobicContact CG1-CE1 4.44Å; I33-F106 HydrophobicContact CG2-CB 4.38Å; I33-F106 HydrophobicContact CG2-CD1 3.91Å; I33-F106 HydrophobicContact CG2-CE1 4.41Å; I33-F106 HydrophobicContact CG2-CG 4.1Å; I71-F106 HydrophobicContact CD1-CD2 4.17Å; I71-F106 HydrophobicContact CG2-CB 4.13Å; E102-F106 HydrophobicContact CB-CD2 3.86Å; E102-F106 HydrophobicContact CB-CE2 3.69Å; E102-F106 HydrophobicContact CG-CD2 4.35Å; E102-F106 HydrophobicContact CG-CE2 3.65Å; E102-F106 HydrophobicContact CG-CZ 4.26Å; E102-F106 WeakPolarHBondContact O-CB 3.36Å; E102-F106 WeakPolarHBondContact O-CD2 3.2Å; E102-F106 VanDerWaalsContact O-CG 3.22Å; E102-F106 WeakPolarHBondContact O-CG 3.49Å; E102-F106 PolarHBondContact O-N 3.47Å; E102-F106 WeakPolarHBondContact OE2-CE2 3.22Å; F106-P108 VanDerWaalsContact C-CD 3.42Å
107A86Confident87.6Confident0 Ų041.3 Ų41.30%023%0.229CC..  trans-130.656.1-175.500000112.4I71 V75 L103 S109 L110I71-A107 HydrophobicContact CG2-CB 3.75Å; V75-A107 HydrophobicContact CG2-CB 3.43Å; V75-A107 VanDerWaalsContact CG2-CB 3.43Å; L103-A107 CarbonylContact O-C 3.59Å; L103-A107 VanDerWaalsContact O-C 3.3Å; L103-A107 WeakPolarHBondContact O-CA 3.41Å; L103-A107 PolarHBondContact O-N 3.42Å; A107-S109 PolarHBondContact O-N 2.8Å; A107-L110 HydrophobicContact CB-CD1 3.7Å; A107-L110 HydrophobicContact CB-CG 3.96Å; A107-L110 PolarHBondContact O-N 2.86Å
108P83.4Confident87.7Confident72 Ų7246.2 Ų46.247%0.46826%0.256SS..THydrogen-bonded Turntrans-66.5-2.5-177.330.1-37.5000114.4F106F106-P108 VanDerWaalsContact C-CD 3.42Å
109S82.8Confident87.7Confident61 Ų6152.6 Ų52.643%0.42728%0.282SS..THydrogen-bonded Turntrans-78.9-18.4168.2470000113.7A107A107-S109 PolarHBondContact O-N 2.8Å
110L85.6Confident87.6Confident11 Ų1160.1 Ų60.16%0.05832%0.318CS..SBendtrans-93128.7-178.5-54.8-179000110.8L74 V75 A107 V112 V136L74-L110 HydrophobicContact CB-CD1 4.21Å; V75-L110 HydrophobicContact CG2-CD1 4.32Å; A107-L110 HydrophobicContact CB-CD1 3.7Å; A107-L110 HydrophobicContact CB-CG 3.96Å; A107-L110 PolarHBondContact O-N 2.86Å; L110-V112 PolarHBondContact O-N 3.06Å; L110-V136 HydrophobicContact CB-CG2 4.25Å; L110-V136 HydrophobicContact CD1-CG2 4.11Å
111T87.9Confident87.5Confident67 Ų6761.2 Ų61.241%0.41132%0.322SS..  trans-80.6114.3173.447.20000110.7D133 F134 Q135 V136T111-D133 PolarHBondContact OG1-O 3.46Å; T111-D133 VanDerWaalsContact OG1-O 3.12Å; T111-F134 WeakPolarHBondContact OG1-CA 3.37Å; T111-Q135 PolarHBondContact O-N 2.7Å; T111-Q135 PolarHBondContact OG1-N 3.03Å; T111-Q135 VanDerWaalsContact OG1-N 3.12Å; T111-V136 PolarHBondContact O-N 3.18Å
112V89.9Confident87.6Confident37 Ų3757.5 Ų57.522%0.22431%0.305CS..EExtended strand (participates in β ladder)trans-102.6121.1-174.4-173.50000111.4L103 L110 V136L103-V112 HydrophobicContact CB-CG2 3.86Å; L103-V112 HydrophobicContact CD1-CG1 4.08Å; L103-V112 HydrophobicContact CD1-CG2 4.24Å; L110-V112 PolarHBondContact O-N 3.06Å; V112-V136 CarbonylContact C-O 3.59Å; V112-V136 WeakPolarHBondContact CA-O 3.5Å; V112-V136 HydrophobicContact CG1-CB 4.49Å; V112-V136 HydrophobicContact CG1-CG1 4.49Å; V112-V136 HydrophobicContact CG2-CB 4.32Å
113L90Very high87.5Confident24 Ų2458.5 Ų58.513%0.12632%0.317CS..EExtended strand (participates in β ladder)trans-101109.5172178.664.2000110.3Y115 I125 Q129 F134 V136 L137 L138L113-Y115 PolarHBondContact O-N 2.83Å; L113-I125 HydrophobicContact CD1-CG2 4.09Å; L113-I125 HydrophobicContact CD2-CG2 4.34Å; L113-Q129 HydrophobicContact CD1-CG 4.28Å; L113-Q129 HydrophobicContact CD2-CB 4.5Å; L113-Q129 HydrophobicContact CD2-CG 3.8Å; L113-F134 HydrophobicContact CB-CB 3.78Å; L113-F134 HydrophobicContact CB-CD2 4.27Å; L113-F134 HydrophobicContact CB-CG 3.95Å; L113-F134 HydrophobicContact CD2-CD1 3.72Å; L113-F134 HydrophobicContact CD2-CD2 4.39Å; L113-F134 HydrophobicContact CD2-CE1 3.95Å; L113-F134 HydrophobicContact CD2-CG 3.95Å; L113-F134 HydrophobicContact CD2-CZ 4.39Å; L113-V136 PolarHBondContact N-O 2.93Å; L113-L137 HydrophobicContact CD2-CD1 4.05Å; L113-L137 HydrophobicContact CD2-CG 4.37Å; L113-L138 PolarHBondContact O-N 3.02Å
114C90.4Very high87.3Confident24 Ų2462 Ų6216%0.16233%0.333CS..EExtended strand (participates in β ladder)trans-84.499.6172.8-620000110.8K116C114-K116 PolarHBondContact O-N 3.31Å; C114-K116 VanDerWaalsContact O-N 3.11Å
115Y90Very high87.2Confident0 Ų058.2 Ų58.20%032%0.315CS..  trans-8290.1178.8-169.3-94.9000110.2L113 R122 I125 Q126 L138 L143 D147 F150L113-Y115 PolarHBondContact O-N 2.83Å; Y115-R122 HydrophobicContact CE1-CG 4.42Å; Y115-R122 HydrophobicContact CE2-CB 4.45Å; Y115-I125 HydrophobicContact CD2-CG2 3.91Å; Y115-I125 HydrophobicContact CE2-CG2 4.2Å; Y115-Q126 HydrophobicContact CE2-CG 4.3Å; Y115-Q126 PolarHBondContact OH-NE2 2.79Å; Y115-L138 PolarHBondContact N-O 3.44Å; Y115-L143 HydrophobicContact CD1-CB 4.34Å; Y115-L143 HydrophobicContact CD1-CD1 4.28Å; Y115-L143 HydrophobicContact CE1-CB 4.32Å; Y115-L143 WeakPolarHBondContact O-CD1 3.32Å; Y115-D147 HydrophobicContact CE1-CB 4.21Å; Y115-D147 VanDerWaalsContact CE1-OD2 3.23Å; Y115-D147 WeakPolarHBondContact CE1-OD2 3.4Å; Y115-D147 WeakPolarHBondContact OH-CB 3.34Å; Y115-D147 PolarHBondContact OH-OD2 2.98Å; Y115-F150 HydrophobicContact CD2-CE1 4.14Å; Y115-F150 HydrophobicContact CE2-CD1 4.04Å; Y115-F150 AromaticContact CE2-CE1 3.65Å; Y115-F150 HydrophobicContact CE2-CE1 3.65Å
116K87.9Confident87.2Confident65 Ų6557.8 Ų57.828%0.28331%0.306SS..  trans-143.7165.617966.1176.7-176.9172.90112.1M96 E97 C114M96-K116 HydrophobicContact CE-CB 4.04Å; E97-K116 IonicContact OE2-NZ 2.67Å; E97-K116 PolarHBondContact OE2-NZ 3.27Å; C114-K116 PolarHBondContact O-N 3.31Å; C114-K116 VanDerWaalsContact O-N 3.11Å
117G84.6Confident87Confident40 Ų4064.4 Ų64.441%0.41233%0.33SS..SBendtrans106.6-178.8176.600000114.6R122G117-R122 WeakPolarHBondContact O-CD 3.31Å; G117-R122 WeakPolarHBondContact O-CG 3.45Å; G117-R122 PolarHBondContact O-NH1 3.23Å
118D84.8Confident86.8Confident135 Ų13568.9 Ų68.972%0.72235%0.351SS*.  trans-74.6171.7-174.4-64.3-58.7000113.7E120 R121 R122D118-E120 PolarHBondContact O-N 2.74Å; D118-E120 VanDerWaalsContact O-N 3.16Å; D118-R121 PolarHBondContact O-N 3.02Å; D118-R122 VanDerWaalsContact C-NH1 3.32Å; D118-R122 WeakPolarHBondContact O-CG 3.23Å; D118-R122 PolarHBondContact O-N 3Å
119K86.9Confident86.2Confident172 Ų17267.1 Ų67.175%0.74834%0.336SS*.Hα-helixtrans-53.4-41.1-170.2-172.9-175.7177-172.30112.5A123K119-A123 WeakPolarHBondContact O-CB 3.32Å; K119-A123 PolarHBondContact O-N 3.48Å
120E88.1Confident85.2Confident160 Ų16069.9 Ų69.975%0.74835%0.351SS*.Hα-helixtrans-66.8-52.3178.8-70.6161.2-155.300112D118 R122 A123 E124D118-E120 PolarHBondContact O-N 2.74Å; D118-E120 VanDerWaalsContact O-N 3.16Å; E120-R122 PolarHBondContact O-N 2.77Å; E120-A123 CarbonylContact O-C 3.51Å; E120-A123 WeakPolarHBondContact O-CA 3.46Å; E120-A123 WeakPolarHBondContact O-CB 3.3Å; E120-A123 PolarHBondContact O-N 2.88Å; E120-E124 PolarHBondContact O-N 3.46Å
121R86.4Confident84Confident105 Ų10573.4 Ų73.440%0.39637%0.373SS..Hα-helixtrans-63.3-32.4178.6-175.155.8-169.9150.213.6112.2D118 E124 I125 E128D118-R121 PolarHBondContact O-N 3.02Å; R121-E124 WeakPolarHBondContact CD-OE2 3.4Å; R121-E124 IonicContact CZ-OE2 3.79Å; R121-E124 IonicContact NE-OE2 2.73Å; R121-E124 IonicContact NH1-OE2 3.16Å; R121-E124 PolarHBondContact NH1-OE2 3.45Å; R121-E124 WeakPolarHBondContact O-CB 3.49Å; R121-E124 PolarHBondContact O-N 2.98Å; R121-I125 HydrophobicContact CG-CD1 4.31Å; R121-I125 VanDerWaalsContact O-CG1 3.31Å; R121-I125 WeakPolarHBondContact O-CG1 3.4Å; R121-I125 PolarHBondContact O-N 3.34Å; R121-I125 VanDerWaalsContact O-N 3.07Å; R121-E128 IonicContact CZ-OE1 3.42Å; R121-E128 IonicContact NH1-OE1 3.26Å; R121-E128 PolarHBondContact NH1-OE1 2.99Å; R121-E128 IonicContact NH2-OE1 3.61Å; R121-E128 IonicContact NH2-OE2 2.66Å; R121-E128 PolarHBondContact NH2-OE2 2.92Å
122R90.5Very high82.9Confident28 Ų2876.9 Ų76.911%0.10639%0.385CS..Hα-helixtrans-69-39.8171.1-62-163.4-36.4-76.5-3.4111.7Y115 G117 D118 E120 E124 I125 Q126 D147Y115-R122 HydrophobicContact CE1-CG 4.42Å; Y115-R122 HydrophobicContact CE2-CB 4.45Å; G117-R122 WeakPolarHBondContact O-CD 3.31Å; G117-R122 WeakPolarHBondContact O-CG 3.45Å; G117-R122 PolarHBondContact O-NH1 3.23Å; D118-R122 VanDerWaalsContact C-NH1 3.32Å; D118-R122 WeakPolarHBondContact O-CG 3.23Å; D118-R122 PolarHBondContact O-N 3Å; E120-R122 PolarHBondContact O-N 2.77Å; R122-E124 VanDerWaalsContact C-N 3.29Å; R122-E124 PolarHBondContact O-N 3.23Å; R122-I125 PolarHBondContact O-N 3.17Å; R122-Q126 WeakPolarHBondContact O-CB 3.11Å; R122-Q126 VanDerWaalsContact O-CG 3.24Å; R122-Q126 WeakPolarHBondContact O-CG 3.39Å; R122-Q126 PolarHBondContact O-N 2.88Å; R122-D147 IonicContact CZ-OD2 2.78Å; R122-D147 IonicContact NE-OD2 3.24Å; R122-D147 PolarHBondContact NE-OD2 3.32Å; R122-D147 IonicContact NH2-OD1 2.77Å; R122-D147 PolarHBondContact NH2-OD1 2.93Å; R122-D147 IonicContact NH2-OD2 3.26Å; R122-D147 PolarHBondContact NH2-OD2 2.89Å
123A87.6Confident82.2Confident40 Ų4080 Ų8033%0.33140%0.4SS..Hα-helixtrans-67.6-23.4173.500000114K119 E120 R127K119-A123 WeakPolarHBondContact O-CB 3.32Å; K119-A123 PolarHBondContact O-N 3.48Å; E120-A123 CarbonylContact O-C 3.51Å; E120-A123 WeakPolarHBondContact O-CA 3.46Å; E120-A123 WeakPolarHBondContact O-CB 3.3Å; E120-A123 PolarHBondContact O-N 2.88Å; A123-R127 WeakPolarHBondContact O-CG 3.46Å; A123-R127 PolarHBondContact O-N 3.03Å; A123-R127 PolarHBondContact O-NE 3.03Å
124E87.4Confident81.9Confident75 Ų7579.1 Ų79.135%0.3540%0.395SS..Hα-helixtrans-68.1-55.9165-70.1171.9168.300110.9E120 R121 R122 Q126 R127 E128E120-E124 PolarHBondContact O-N 3.46Å; R121-E124 WeakPolarHBondContact CD-OE2 3.4Å; R121-E124 IonicContact CZ-OE2 3.79Å; R121-E124 IonicContact NE-OE2 2.73Å; R121-E124 IonicContact NH1-OE2 3.16Å; R121-E124 PolarHBondContact NH1-OE2 3.45Å; R121-E124 WeakPolarHBondContact O-CB 3.49Å; R121-E124 PolarHBondContact O-N 2.98Å; R122-E124 VanDerWaalsContact C-N 3.29Å; R122-E124 PolarHBondContact O-N 3.23Å; E124-Q126 PolarHBondContact O-N 3.14Å; E124-R127 VanDerWaalsContact CG-NH2 3.28Å; E124-R127 PolarHBondContact O-N 3.38Å; E124-E128 WeakPolarHBondContact O-CG 3.27Å; E124-E128 PolarHBondContact O-N 3.13Å
125I86.7Confident81.8Confident8 Ų879.8 Ų79.84%0.04140%0.396CS..Hα-helixtrans-55.9-39.6178.1-64.6162.9000111.3L113 Y115 R121 R122 R127 E128 Q129L113-I125 HydrophobicContact CD1-CG2 4.09Å; L113-I125 HydrophobicContact CD2-CG2 4.34Å; Y115-I125 HydrophobicContact CD2-CG2 3.91Å; Y115-I125 HydrophobicContact CE2-CG2 4.2Å; R121-I125 HydrophobicContact CG-CD1 4.31Å; R121-I125 VanDerWaalsContact O-CG1 3.31Å; R121-I125 WeakPolarHBondContact O-CG1 3.4Å; R121-I125 PolarHBondContact O-N 3.34Å; R121-I125 VanDerWaalsContact O-N 3.07Å; R122-I125 PolarHBondContact O-N 3.17Å; I125-R127 VanDerWaalsContact C-N 3.27Å; I125-R127 PolarHBondContact O-N 3.44Å; I125-E128 PolarHBondContact O-N 3.12Å; I125-Q129 HydrophobicContact CG2-CG 3.94Å; I125-Q129 VanDerWaalsContact O-CB 3.29Å; I125-Q129 WeakPolarHBondContact O-CB 3.38Å; I125-Q129 VanDerWaalsContact O-CG 3.24Å; I125-Q129 WeakPolarHBondContact O-CG 3.31Å; I125-Q129 PolarHBondContact O-N 3.25Å
126Q86.8Confident81.9Confident59 Ų5979.8 Ų79.828%0.27640%0.396SS..Hα-helixtrans-66.4-23177.1-71.4-175.112.100114.4Y115 R122 E124 F150Y115-Q126 HydrophobicContact CE2-CG 4.3Å; Y115-Q126 PolarHBondContact OH-NE2 2.79Å; R122-Q126 WeakPolarHBondContact O-CB 3.11Å; R122-Q126 VanDerWaalsContact O-CG 3.24Å; R122-Q126 WeakPolarHBondContact O-CG 3.39Å; R122-Q126 PolarHBondContact O-N 2.88Å; E124-Q126 PolarHBondContact O-N 3.14Å; Q126-F150 HydrophobicContact CB-CD2 4.08Å; Q126-F150 HydrophobicContact CB-CE2 3.67Å; Q126-F150 HydrophobicContact CB-CZ 4.01Å; Q126-F150 HydrophobicContact CG-CD1 4Å; Q126-F150 HydrophobicContact CG-CD2 3.65Å; Q126-F150 HydrophobicContact CG-CE1 3.9Å; Q126-F150 HydrophobicContact CG-CE2 3.54Å; Q126-F150 HydrophobicContact CG-CG 3.88Å; Q126-F150 HydrophobicContact CG-CZ 3.65Å
127R83.9Confident82.1Confident169 Ų16976.7 Ų76.764%0.63838%0.382SS*.Hα-helixtrans-88.5-46174.1-73.5176.9-69.9157.4-1.5111.2A123 E124 I125 Q129 T130A123-R127 WeakPolarHBondContact O-CG 3.46Å; A123-R127 PolarHBondContact O-N 3.03Å; A123-R127 PolarHBondContact O-NE 3.03Å; E124-R127 VanDerWaalsContact CG-NH2 3.28Å; E124-R127 PolarHBondContact O-N 3.38Å; I125-R127 VanDerWaalsContact C-N 3.27Å; I125-R127 PolarHBondContact O-N 3.44Å; R127-Q129 VanDerWaalsContact C-N 3.34Å; R127-Q129 PolarHBondContact O-N 3.21Å; R127-T130 PolarHBondContact O-OG1 3.22Å
128E80.8Confident82.6Confident95 Ų9574.8 Ų74.844%0.44436%0.363SS..Hα-helixtrans-55.8-47.5177.1-69.5167.5-164.700110.9R121 E124 I125 T130R121-E128 IonicContact CZ-OE1 3.42Å; R121-E128 IonicContact NH1-OE1 3.26Å; R121-E128 PolarHBondContact NH1-OE1 2.99Å; R121-E128 IonicContact NH2-OE1 3.61Å; R121-E128 IonicContact NH2-OE2 2.66Å; R121-E128 PolarHBondContact NH2-OE2 2.92Å; E124-E128 WeakPolarHBondContact O-CG 3.27Å; E124-E128 PolarHBondContact O-N 3.13Å; I125-E128 PolarHBondContact O-N 3.12Å; E128-T130 PolarHBondContact O-N 3.35Å
129Q71.8Confident83Confident34 Ų3468.4 Ų68.416%0.15933%0.328CS..THydrogen-bonded Turntrans-87.446.1-172.4-55.6-62.7-58.400113.2L113 I125 R127 F134L113-Q129 HydrophobicContact CD1-CG 4.28Å; L113-Q129 HydrophobicContact CD2-CB 4.5Å; L113-Q129 HydrophobicContact CD2-CG 3.8Å; I125-Q129 HydrophobicContact CG2-CG 3.94Å; I125-Q129 VanDerWaalsContact O-CB 3.29Å; I125-Q129 WeakPolarHBondContact O-CB 3.38Å; I125-Q129 VanDerWaalsContact O-CG 3.24Å; I125-Q129 WeakPolarHBondContact O-CG 3.31Å; I125-Q129 PolarHBondContact O-N 3.25Å; R127-Q129 VanDerWaalsContact C-N 3.34Å; R127-Q129 PolarHBondContact O-N 3.21Å; Q129-F134 HydrophobicContact CB-CE1 4.44Å
130T60.9Low83.2Confident120 Ų12060.4 Ų60.474%0.73629%0.294SS*.THydrogen-bonded Turntrans-80.1-30.3172.3-58.80000111.5R127 E128R127-T130 PolarHBondContact O-OG1 3.22Å; E128-T130 PolarHBondContact O-N 3.35Å
131T59.9Low83.3Confident84 Ų8453.2 Ų53.252%0.51526%0.26SS..SBendtrans-89151.2167.732.90000111.3D133T131-D133 WeakPolarHBondContact CB-OD2 3.44Å; T131-D133 PolarHBondContact O-N 3.49Å; T131-D133 PolarHBondContact OG1-OD2 2.6Å
132Q65.5Low83.5Confident141 Ų14152.5 Ų52.566%0.65926%0.261SS*.  trans-83.360.8-176.7-67.8-177.9-15.100111.8
133D75.1Confident83.5Confident101 Ų10152.2 Ų52.254%0.5426%0.262SS..  trans-89.9-9.1-171.8-56.9-40.9000113.6T111 T131T111-D133 PolarHBondContact OG1-O 3.46Å; T111-D133 VanDerWaalsContact OG1-O 3.12Å; T131-D133 WeakPolarHBondContact CB-OD2 3.44Å; T131-D133 PolarHBondContact O-N 3.49Å; T131-D133 PolarHBondContact OG1-OD2 2.6Å
134F84.9Confident83.7Confident7 Ų750.4 Ų50.43%0.03125%0.246CC..  trans-103.2157.3172.869.9-86.6000112.2L86 T111 L113 Q129 L137 W154 W156L86-F134 HydrophobicContact CD2-CD2 4.08Å; L86-F134 HydrophobicContact CD2-CE2 3.8Å; L86-F134 HydrophobicContact CD2-CZ 4.27Å; L86-F134 WeakPolarHBondContact CD2-O 3.4Å; T111-F134 WeakPolarHBondContact OG1-CA 3.37Å; L113-F134 HydrophobicContact CB-CB 3.78Å; L113-F134 HydrophobicContact CB-CD2 4.27Å; L113-F134 HydrophobicContact CB-CG 3.95Å; L113-F134 HydrophobicContact CD2-CD1 3.72Å; L113-F134 HydrophobicContact CD2-CD2 4.39Å; L113-F134 HydrophobicContact CD2-CE1 3.95Å; L113-F134 HydrophobicContact CD2-CG 3.95Å; L113-F134 HydrophobicContact CD2-CZ 4.39Å; Q129-F134 HydrophobicContact CB-CE1 4.44Å; F134-L137 HydrophobicContact CD2-CB 4.15Å; F134-L137 HydrophobicContact CE2-CB 3.77Å; F134-L137 HydrophobicContact CE2-CD1 4.07Å; F134-L137 HydrophobicContact CE2-CG 4.46Å; F134-L137 HydrophobicContact CZ-CD1 4.06Å; F134-W154 HydrophobicContact CE1-CZ2 4.36Å; F134-W154 HydrophobicContact CZ-CD2 4.46Å; F134-W154 HydrophobicContact CZ-CZ2 4.27Å; F134-W156 HydrophobicContact CE2-CH2 4.07Å; F134-W156 HydrophobicContact CE2-CZ3 4.17Å; F134-W156 HydrophobicContact CZ-CH2 4.42Å
135Q87.9Confident83.9Confident38 Ų3849.9 Ų49.918%0.17825%0.246CC..SBendtrans-112.4-38.5172.1-68.9177.64.600112.1F87 T111F87-Q135 PolarHBondContact N-O 2.84Å; T111-Q135 PolarHBondContact O-N 2.7Å; T111-Q135 PolarHBondContact OG1-N 3.03Å; T111-Q135 VanDerWaalsContact OG1-N 3.12Å
136V91.2Very high84.1Confident0 Ų056.9 Ų56.90%028%0.276CS..EExtended strand (participates in β ladder)trans-113.4121.6178.5-178.20000109.5F87 V89 L103 L110 T111 V112 L113F87-V136 HydrophobicContact CB-CG2 4.31Å; F87-V136 HydrophobicContact CD2-CG2 3.94Å; F87-V136 CarbonylContact O-C 3.32Å; F87-V136 WeakPolarHBondContact O-CA 3.39Å; V89-V136 HydrophobicContact CG2-CG1 3.89Å; L103-V136 HydrophobicContact CD1-CG1 3.97Å; L110-V136 HydrophobicContact CB-CG2 4.25Å; L110-V136 HydrophobicContact CD1-CG2 4.11Å; T111-V136 PolarHBondContact O-N 3.18Å; V112-V136 CarbonylContact C-O 3.59Å; V112-V136 WeakPolarHBondContact CA-O 3.5Å; V112-V136 HydrophobicContact CG1-CB 4.49Å; V112-V136 HydrophobicContact CG1-CG1 4.49Å; V112-V136 HydrophobicContact CG2-CB 4.32Å; L113-V136 PolarHBondContact N-O 2.93Å
137L92.9Very high84.3Confident0 Ų055 Ų550%027%0.268CS..EExtended strand (participates in β ladder)trans-100.8121.6167.3-166154.4000109.4F87 L88 V89 L113 F134 T139 L151 W156F87-L137 PolarHBondContact O-N 2.71Å; L88-L137 HydrophobicContact CD1-CB 4.38Å; L88-L137 HydrophobicContact CD1-CD2 3.78Å; V89-L137 PolarHBondContact N-O 2.94Å; L113-L137 HydrophobicContact CD2-CD1 4.05Å; L113-L137 HydrophobicContact CD2-CG 4.37Å; F134-L137 HydrophobicContact CD2-CB 4.15Å; F134-L137 HydrophobicContact CE2-CB 3.77Å; F134-L137 HydrophobicContact CE2-CD1 4.07Å; F134-L137 HydrophobicContact CE2-CG 4.46Å; F134-L137 HydrophobicContact CZ-CD1 4.06Å; L137-T139 HydrophobicContact CD2-CG2 3.76Å; L137-L151 HydrophobicContact CD1-CD2 3.81Å; L137-L151 HydrophobicContact CD2-CD2 3.95Å; L137-W156 HydrophobicContact CB-CH2 3.73Å; L137-W156 HydrophobicContact CB-CZ3 4Å; L137-W156 HydrophobicContact CD1-CH2 3.98Å; L137-W156 HydrophobicContact CG-CH2 4.38Å
138L93.7Very high84.6Confident0 Ų047.5 Ų47.50%024%0.242CC..EExtended strand (participates in β ladder)trans-109.2119.9179179.262.8000109.8V89 M96 W99 R100 L113 Y115V89-L138 HydrophobicContact CB-CD1 3.79Å; V89-L138 HydrophobicContact CG1-CD1 3.6Å; M96-L138 WeakPolarHBondContact O-CD2 3.35Å; M96-L138 HydrophobicContact SD-CD1 4.14Å; M96-L138 HydrophobicContact SD-CG 3.82Å; W99-L138 HydrophobicContact CB-CD1 3.91Å; W99-L138 HydrophobicContact CB-CD2 3.76Å; W99-L138 HydrophobicContact CG-CD1 4.29Å; R100-L138 HydrophobicContact CB-CD2 4.2Å; L113-L138 PolarHBondContact O-N 3.02Å; Y115-L138 PolarHBondContact N-O 3.44Å
139T93.6Very high85Confident0 Ų047.4 Ų47.40%025%0.252CS..EExtended strand (participates in β ladder)trans-148170.3-175.1-169.10000112.4L88 V89 L90 S91 L137 L143 C144 L151L88-T139 HydrophobicContact CD1-CG2 3.88Å; V89-T139 PolarHBondContact O-N 2.99Å; L90-T139 WeakPolarHBondContact CA-O 3.38Å; L90-T139 HydrophobicContact CD2-CG2 3.42Å; L90-T139 VanDerWaalsContact CD2-CG2 3.42Å; S91-T139 PolarHBondContact N-O 3.35Å; L137-T139 HydrophobicContact CD2-CG2 3.76Å; T139-L143 WeakPolarHBondContact OG1-CB 3.26Å; T139-C144 HydrophobicContact CG2-CB 4.44Å; T139-L151 HydrophobicContact CG2-CD1 4.46Å
140T92.2Very high85.8Confident5 Ų546 Ų463%0.03125%0.245CC..  trans-100.7162.3175.881.40000111.9S91 L93 M96 E142 L143 C144S91-T140 WeakPolarHBondContact O-CA 3.45Å; L93-T140 HydrophobicContact CB-CG2 4.07Å; L93-T140 HydrophobicContact CD1-CG2 3.99Å; M96-T140 HydrophobicContact CE-CG2 3.97Å; M96-T140 HydrophobicContact CG-CG2 3.77Å; M96-T140 HydrophobicContact SD-CG2 3.78Å; T140-E142 VanDerWaalsContact C-N 3.27Å; T140-E142 WeakPolarHBondContact CB-OE2 3.25Å; T140-E142 PolarHBondContact O-N 3.22Å; T140-E142 PolarHBondContact OG1-OE2 3.02Å; T140-L143 PolarHBondContact O-N 3.45Å; T140-C144 VanDerWaalsContact O-CB 3.31Å; T140-C144 WeakPolarHBondContact O-CB 3.37Å; T140-C144 PolarHBondContact O-N 2.82Å
141Y90.3Very high87.2Confident9 Ų940.2 Ų40.24%0.03521%0.21CC..Hα-helixtrans-59.9-36.7179.8-38.6-82.3000112.7L90 P92 C144 L145 V161 D162 R166 L174L90-Y141 HydrophobicContact CB-CD1 4.33Å; L90-Y141 HydrophobicContact CB-CE1 4.34Å; P92-Y141 HydrophobicContact CB-CE2 4.43Å; P92-Y141 VanDerWaalsContact CD-OH 3.29Å; P92-Y141 WeakPolarHBondContact CD-OH 3.31Å; P92-Y141 HydrophobicContact CG-CE2 4Å; Y141-C144 PolarHBondContact O-N 2.95Å; Y141-L145 WeakPolarHBondContact O-CG 3.28Å; Y141-L145 PolarHBondContact O-N 3.03Å; Y141-V161 HydrophobicContact CE1-CG1 3.95Å; Y141-D162 PolarHBondContact OH-O 2.97Å; Y141-R166 HydrophobicContact CE1-CB 4.31Å; Y141-R166 HydrophobicContact CE1-CG 4.46Å; Y141-R166 HydrophobicContact CE2-CG 4.06Å; Y141-L174 HydrophobicContact CD1-CD2 3.85Å; Y141-L174 HydrophobicContact CG-CD2 4.18Å
142E89.6Confident88.7Confident89 Ų8940.6 Ų40.642%0.41620%0.204SC..Hα-helixtrans-71.3-36.9-177.6-51.374.5-161.500111.6T140 K146T140-E142 VanDerWaalsContact C-N 3.27Å; T140-E142 WeakPolarHBondContact CB-OE2 3.25Å; T140-E142 PolarHBondContact O-N 3.22Å; T140-E142 PolarHBondContact OG1-OE2 3.02Å; E142-K146 WeakPolarHBondContact O-CB 3.32Å; E142-K146 VanDerWaalsContact O-CG 3.27Å; E142-K146 WeakPolarHBondContact O-CG 3.46Å; E142-K146 PolarHBondContact O-N 2.88Å; E142-K146 VanDerWaalsContact O-N 3.14Å
143L90.6Very high89.7Confident23 Ų2342.1 Ų42.112%0.1220%0.204CC..Hα-helixtrans-73.9-36.7172.6-65-177.1000111.1Y115 T139 T140 L145 K146 D147Y115-L143 HydrophobicContact CD1-CB 4.34Å; Y115-L143 HydrophobicContact CD1-CD1 4.28Å; Y115-L143 HydrophobicContact CE1-CB 4.32Å; Y115-L143 WeakPolarHBondContact O-CD1 3.32Å; T139-L143 WeakPolarHBondContact OG1-CB 3.26Å; T140-L143 PolarHBondContact O-N 3.45Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 PolarHBondContact O-N 3.3Å; L143-K146 PolarHBondContact O-N 2.86Å; L143-D147 PolarHBondContact O-N 3.23Å
144C91.7Very high90.3Very high1 Ų138.5 Ų38.51%0.00718%0.183CC..Hα-helixtrans-62.2-34.2175.1-169.60000112.9L90 T139 T140 Y141 A148 L151L90-C144 HydrophobicContact CD2-CB 3.93Å; T139-C144 HydrophobicContact CG2-CB 4.44Å; T140-C144 VanDerWaalsContact O-CB 3.31Å; T140-C144 WeakPolarHBondContact O-CB 3.37Å; T140-C144 PolarHBondContact O-N 2.82Å; Y141-C144 PolarHBondContact O-N 2.95Å; C144-A148 WeakPolarHBondContact O-CA 3.45Å; C144-A148 WeakPolarHBondContact O-CB 3.33Å; C144-A148 PolarHBondContact O-N 3.06Å; C144-L151 HydrophobicContact CB-CD1 4.04Å
145L91.2Very high90.5Very high65 Ų6546.4 Ų46.434%0.3421%0.213SC..Hα-helixtrans-73.2-48.1172.5-77.6173000112.5Y141 L143 V173 L174 T177Y141-L145 WeakPolarHBondContact O-CG 3.28Å; Y141-L145 PolarHBondContact O-N 3.03Å; L143-L145 VanDerWaalsContact C-N 3.28Å; L143-L145 PolarHBondContact O-N 3.3Å; L145-V173 HydrophobicContact CD2-CB 4.22Å; L145-V173 HydrophobicContact CD2-CG1 3.81Å; L145-L174 HydrophobicContact CD1-CB 4.45Å; L145-L174 HydrophobicContact CD2-CB 4.5Å; L145-L174 HydrophobicContact CD2-CD1 4.48Å; L145-L174 HydrophobicContact CG-CD1 4.19Å; L145-T177 HydrophobicContact CD2-CG2 4.37Å
146K91.1Very high90.7Very high154 Ų15444.6 Ų44.667%0.6720%0.204SC*.Hα-helixtrans-65.2-43.3-176.4-75.1171.7-179.1179.50112.9E142 L143E142-K146 WeakPolarHBondContact O-CB 3.32Å; E142-K146 VanDerWaalsContact O-CG 3.27Å; E142-K146 WeakPolarHBondContact O-CG 3.46Å; E142-K146 PolarHBondContact O-N 2.88Å; E142-K146 VanDerWaalsContact O-N 3.14Å; L143-K146 PolarHBondContact O-N 2.86Å
147D91.6Very high90.6Very high20 Ų2046.7 Ų46.711%0.10721%0.214CC..THydrogen-bonded Turntrans-108.628.2-173.1-52.4-34.6000111.5Y115 R122 L143 S149 F150 L151Y115-D147 HydrophobicContact CE1-CB 4.21Å; Y115-D147 VanDerWaalsContact CE1-OD2 3.23Å; Y115-D147 WeakPolarHBondContact CE1-OD2 3.4Å; Y115-D147 WeakPolarHBondContact OH-CB 3.34Å; Y115-D147 PolarHBondContact OH-OD2 2.98Å; R122-D147 IonicContact CZ-OD2 2.78Å; R122-D147 IonicContact NE-OD2 3.24Å; R122-D147 PolarHBondContact NE-OD2 3.32Å; R122-D147 IonicContact NH2-OD1 2.77Å; R122-D147 PolarHBondContact NH2-OD1 2.93Å; R122-D147 IonicContact NH2-OD2 3.26Å; R122-D147 PolarHBondContact NH2-OD2 2.89Å; L143-D147 PolarHBondContact O-N 3.23Å; D147-S149 PolarHBondContact O-N 2.93Å; D147-F150 WeakPolarHBondContact O-CB 3.42Å; D147-F150 PolarHBondContact O-N 2.92Å; D147-L151 PolarHBondContact O-N 3.41Å
148A90.8Very high90.6Very high12 Ų1246.7 Ų46.710%0.09921%0.214CC..Hα-helixtrans-56.2-32.8-17800000113.8C144 F150 L151 K152 T177 F181C144-A148 WeakPolarHBondContact O-CA 3.45Å; C144-A148 WeakPolarHBondContact O-CB 3.33Å; C144-A148 PolarHBondContact O-N 3.06Å; A148-F150 PolarHBondContact O-N 2.86Å; A148-L151 PolarHBondContact O-N 2.73Å; A148-K152 WeakPolarHBondContact O-CB 3.2Å; A148-K152 VanDerWaalsContact O-CG 3.27Å; A148-K152 WeakPolarHBondContact O-CG 3.23Å; A148-K152 PolarHBondContact O-N 3.16Å; A148-T177 HydrophobicContact CB-CG2 3.69Å; A148-F181 HydrophobicContact CB-CE1 4.5Å
149S89.1Confident90.6Very high92 Ų9246.7 Ų46.764%0.64321%0.214SC*.Hα-helixtrans-70.2-16.1177.356.70000114.1D147 R153D147-S149 PolarHBondContact O-N 2.93Å; S149-R153 PolarHBondContact O-NE 3.25Å
150F88.9Confident90.7Very high4 Ų446.8 Ų46.82%0.01821%0.214CC..Hα-helixtrans-83.9-53.8166.8179.7-113.9000109.2Y115 Q126 D147 A148 K152 R153 W154Y115-F150 HydrophobicContact CD2-CE1 4.14Å; Y115-F150 HydrophobicContact CE2-CD1 4.04Å; Y115-F150 AromaticContact CE2-CE1 3.65Å; Y115-F150 HydrophobicContact CE2-CE1 3.65Å; Q126-F150 HydrophobicContact CB-CD2 4.08Å; Q126-F150 HydrophobicContact CB-CE2 3.67Å; Q126-F150 HydrophobicContact CB-CZ 4.01Å; Q126-F150 HydrophobicContact CG-CD1 4Å; Q126-F150 HydrophobicContact CG-CD2 3.65Å; Q126-F150 HydrophobicContact CG-CE1 3.9Å; Q126-F150 HydrophobicContact CG-CE2 3.54Å; Q126-F150 HydrophobicContact CG-CG 3.88Å; Q126-F150 HydrophobicContact CG-CZ 3.65Å; D147-F150 WeakPolarHBondContact O-CB 3.42Å; D147-F150 PolarHBondContact O-N 2.92Å; A148-F150 PolarHBondContact O-N 2.86Å; F150-K152 VanDerWaalsContact C-N 3.3Å; F150-K152 PolarHBondContact O-N 2.89Å; F150-R153 VanDerWaalsContact O-CB 3.25Å; F150-R153 WeakPolarHBondContact O-CB 3.42Å; F150-R153 WeakPolarHBondContact O-CD 3.48Å; F150-R153 WeakPolarHBondContact O-CG 3.33Å; F150-R153 PolarHBondContact O-N 3.37Å; F150-W154 AromaticContact CD1-CH2 3.86Å; F150-W154 HydrophobicContact CD1-CH2 3.86Å; F150-W154 AromaticContact CD1-CZ3 3.87Å; F150-W154 HydrophobicContact CD1-CZ3 3.87Å; F150-W154 AromaticContact CD2-CH2 3.83Å; F150-W154 HydrophobicContact CD2-CH2 3.83Å; F150-W154 HydrophobicContact CD2-CZ3 4.36Å; F150-W154 AromaticContact CE1-CH2 3.61Å; F150-W154 HydrophobicContact CE1-CH2 3.61Å; F150-W154 AromaticContact CE1-CZ3 3.98Å; F150-W154 HydrophobicContact CE1-CZ3 3.98Å; F150-W154 AromaticContact CE2-CH2 3.56Å; F150-W154 HydrophobicContact CE2-CH2 3.56Å; F150-W154 HydrophobicContact CE2-CZ2 4.35Å; F150-W154 HydrophobicContact CE2-CZ3 4.45Å; F150-W154 AromaticContact CG-CH2 3.98Å; F150-W154 HydrophobicContact CG-CH2 3.98Å; F150-W154 HydrophobicContact CG-CZ3 4.08Å; F150-W154 AromaticContact CZ-CH2 3.46Å; F150-W154 HydrophobicContact CZ-CH2 3.46Å; F150-W154 VanDerWaalsContact CZ-CH2 3.46Å; F150-W154 HydrophobicContact CZ-CZ2 4.34Å; F150-W154 HydrophobicContact CZ-CZ3 4.29Å; F150-W154 WeakPolarHBondContact O-CZ3 3.4Å
151L89.9Confident90.7Very high0 Ų046.5 Ų46.50%021%0.213CC..Hα-helixtrans-63.2-27.2-175.7-63.3174.7000115.1L137 T139 C144 D147 A148 R153 W154 W156 F181L137-L151 HydrophobicContact CD1-CD2 3.81Å; L137-L151 HydrophobicContact CD2-CD2 3.95Å; T139-L151 HydrophobicContact CG2-CD1 4.46Å; C144-L151 HydrophobicContact CB-CD1 4.04Å; D147-L151 PolarHBondContact O-N 3.41Å; A148-L151 PolarHBondContact O-N 2.73Å; L151-R153 PolarHBondContact O-N 2.88Å; L151-W154 HydrophobicContact CD2-CZ3 4.38Å; L151-W156 HydrophobicContact CD2-CZ2 4.19Å; L151-W156 PolarHBondContact O-NE1 2.97Å; L151-F181 HydrophobicContact CB-CE2 3.75Å; L151-F181 HydrophobicContact CB-CZ 3.73Å; L151-F181 HydrophobicContact CD1-CE2 4.42Å; L151-F181 HydrophobicContact CD1-CZ 4.4Å
152K90.1Very high90.8Very high92 Ų9246.9 Ų46.940%0.422%0.215SC..THydrogen-bonded Turntrans-69.9-10.9173.6-76.9175.1177.8-1790114.8A148 F150 W154 E180 F181A148-K152 WeakPolarHBondContact O-CB 3.2Å; A148-K152 VanDerWaalsContact O-CG 3.27Å; A148-K152 WeakPolarHBondContact O-CG 3.23Å; A148-K152 PolarHBondContact O-N 3.16Å; F150-K152 VanDerWaalsContact C-N 3.3Å; F150-K152 PolarHBondContact O-N 2.89Å; K152-W154 VanDerWaalsContact C-N 3.25Å; K152-W154 PolarHBondContact O-N 3.31Å; K152-E180 WeakPolarHBondContact CE-OE2 3.25Å; K152-E180 IonicContact NZ-OE2 3.87Å; K152-E180 PolarHBondContact NZ-OE2 2.6Å; K152-F181 HydrophobicContact CD-CD1 4.41Å; K152-F181 HydrophobicContact CD-CE1 4.27Å; K152-F181 HydrophobicContact CG-CD1 3.58Å; K152-F181 HydrophobicContact CG-CE1 3.52Å; K152-F181 HydrophobicContact CG-CZ 4.4Å
153R88Confident90.6Very high172 Ų17243.2 Ų43.265%0.64920%0.198SC*.THydrogen-bonded Turntrans-71.5-20.1-178.6-64.2172.7-174.6-165.3-1.5113.2S149 F150 L151S149-R153 PolarHBondContact O-NE 3.25Å; F150-R153 VanDerWaalsContact O-CB 3.25Å; F150-R153 WeakPolarHBondContact O-CB 3.42Å; F150-R153 WeakPolarHBondContact O-CD 3.48Å; F150-R153 WeakPolarHBondContact O-CG 3.33Å; F150-R153 PolarHBondContact O-N 3.37Å; L151-R153 PolarHBondContact O-N 2.88Å
154W87.3Confident90.3Very high25 Ų2542.1 Ų42.110%0.09519%0.193CC..SBendtrans-105.7146.7180-58.3-79.5000111.9L86 F134 F150 L151 K152 W156L86-W154 HydrophobicContact CD1-CB 3.76Å; L86-W154 HydrophobicContact CD1-CG 3.68Å; F134-W154 HydrophobicContact CE1-CZ2 4.36Å; F134-W154 HydrophobicContact CZ-CD2 4.46Å; F134-W154 HydrophobicContact CZ-CZ2 4.27Å; F150-W154 AromaticContact CD1-CH2 3.86Å; F150-W154 HydrophobicContact CD1-CH2 3.86Å; F150-W154 AromaticContact CD1-CZ3 3.87Å; F150-W154 HydrophobicContact CD1-CZ3 3.87Å; F150-W154 AromaticContact CD2-CH2 3.83Å; F150-W154 HydrophobicContact CD2-CH2 3.83Å; F150-W154 HydrophobicContact CD2-CZ3 4.36Å; F150-W154 AromaticContact CE1-CH2 3.61Å; F150-W154 HydrophobicContact CE1-CH2 3.61Å; F150-W154 AromaticContact CE1-CZ3 3.98Å; F150-W154 HydrophobicContact CE1-CZ3 3.98Å; F150-W154 AromaticContact CE2-CH2 3.56Å; F150-W154 HydrophobicContact CE2-CH2 3.56Å; F150-W154 HydrophobicContact CE2-CZ2 4.35Å; F150-W154 HydrophobicContact CE2-CZ3 4.45Å; F150-W154 AromaticContact CG-CH2 3.98Å; F150-W154 HydrophobicContact CG-CH2 3.98Å; F150-W154 HydrophobicContact CG-CZ3 4.08Å; F150-W154 AromaticContact CZ-CH2 3.46Å; F150-W154 HydrophobicContact CZ-CH2 3.46Å; F150-W154 VanDerWaalsContact CZ-CH2 3.46Å; F150-W154 HydrophobicContact CZ-CZ2 4.34Å; F150-W154 HydrophobicContact CZ-CZ3 4.29Å; F150-W154 WeakPolarHBondContact O-CZ3 3.4Å; L151-W154 HydrophobicContact CD2-CZ3 4.38Å; K152-W154 VanDerWaalsContact C-N 3.25Å; K152-W154 PolarHBondContact O-N 3.31Å; W154-W156 HydrophobicContact CB-CD2 4.42Å; W154-W156 HydrophobicContact CB-CZ2 4.11Å; W154-W156 HydrophobicContact CD2-CZ2 4.29Å; W154-W156 HydrophobicContact CE3-CH2 4.21Å; W154-W156 AromaticContact CE3-CZ2 3.68Å; W154-W156 HydrophobicContact CE3-CZ2 3.68Å; W154-W156 HydrophobicContact CG-CZ2 4.5Å; W154-W156 HydrophobicContact CZ3-CZ2 4.49Å
155R89.3Confident89.6Confident174 Ų17443.7 Ų43.766%0.65720%0.2SC*.  trans-86.5115.5161.9177.1173.8175.4144.32.8107.8
156W91.1Very high89Confident0 Ų046.7 Ų46.70%021%0.206CC..EExtended strand (participates in β ladder)trans-89.5128.8-178.4-58.397.1000109.5L86 L88 F134 L137 L151 W154 S182 V183 G184L86-W156 HydrophobicContact CB-CE3 3.75Å; L86-W156 HydrophobicContact CB-CZ3 3.94Å; L86-W156 CarbonylContact O-C 3.6Å; L86-W156 WeakPolarHBondContact O-CA 3.47Å; L88-W156 HydrophobicContact CB-CD2 3.69Å; L88-W156 HydrophobicContact CB-CE3 3.57Å; L88-W156 HydrophobicContact CB-CG 4.2Å; L88-W156 HydrophobicContact CB-CH2 4.33Å; L88-W156 HydrophobicContact CB-CZ2 4.43Å; L88-W156 HydrophobicContact CB-CZ3 3.91Å; L88-W156 HydrophobicContact CD1-CH2 4.35Å; L88-W156 HydrophobicContact CD1-CZ2 4.44Å; L88-W156 HydrophobicContact CD2-CD2 4.33Å; L88-W156 HydrophobicContact CD2-CZ2 4.33Å; F134-W156 HydrophobicContact CE2-CH2 4.07Å; F134-W156 HydrophobicContact CE2-CZ3 4.17Å; F134-W156 HydrophobicContact CZ-CH2 4.42Å; L137-W156 HydrophobicContact CB-CH2 3.73Å; L137-W156 HydrophobicContact CB-CZ3 4Å; L137-W156 HydrophobicContact CD1-CH2 3.98Å; L137-W156 HydrophobicContact CG-CH2 4.38Å; L151-W156 HydrophobicContact CD2-CZ2 4.19Å; L151-W156 PolarHBondContact O-NE1 2.97Å; W154-W156 HydrophobicContact CB-CD2 4.42Å; W154-W156 HydrophobicContact CB-CZ2 4.11Å; W154-W156 HydrophobicContact CD2-CZ2 4.29Å; W154-W156 HydrophobicContact CE3-CH2 4.21Å; W154-W156 AromaticContact CE3-CZ2 3.68Å; W154-W156 HydrophobicContact CE3-CZ2 3.68Å; W154-W156 HydrophobicContact CG-CZ2 4.5Å; W154-W156 HydrophobicContact CZ3-CZ2 4.49Å; W156-S182 PolarHBondContact N-O 2.9Å; W156-V183 HydrophobicContact CB-CG2 4.35Å; W156-V183 CarbonylContact O-C 3.6Å; W156-V183 VanDerWaalsContact O-CA 3.28Å; W156-V183 WeakPolarHBondContact O-CA 3.5Å; W156-G184 PolarHBondContact O-N 3.17Å
157E90.4Very high88.5Confident43 Ų4339.3 Ų39.320%0.20117%0.174CC..EExtended strand (participates in β ladder)trans-75.9-39.9175.6-72.7-68.9115.500110.6K83 L86 F87 G184 F185K83-E157 WeakPolarHBondContact CD-OE2 3.39Å; K83-E157 WeakPolarHBondContact CE-OE2 3.27Å; K83-E157 IonicContact NZ-OE2 2.77Å; K83-E157 PolarHBondContact NZ-OE2 3.04Å; L86-E157 PolarHBondContact O-N 2.78Å; F87-E157 HydrophobicContact CD1-CB 4.37Å; F87-E157 HydrophobicContact CE1-CB 4.14Å; E157-G184 CarbonylContact O-C 3.59Å; E157-F185 PolarHBondContact O-N 3.34Å
158V91.8Very high87.7Confident0 Ų043.6 Ų43.60%019%0.192CC..EExtended strand (participates in β ladder)trans-131.1130.1175.71780000110.3L74 F87 L88 V160 F185L74-V158 HydrophobicContact CD2-CB 4.09Å; L74-V158 HydrophobicContact CD2-CG1 3.97Å; L74-V158 HydrophobicContact CD2-CG2 4.34Å; F87-V158 WeakPolarHBondContact CA-O 3.35Å; F87-V158 HydrophobicContact CD1-CB 3.8Å; F87-V158 HydrophobicContact CD1-CG2 3.97Å; F87-V158 HydrophobicContact CE1-CB 4.42Å; F87-V158 HydrophobicContact CE1-CG2 4.08Å; L88-V158 PolarHBondContact N-O 2.81Å; V158-V160 HydrophobicContact CG1-CG2 3.91Å; V158-F185 WeakPolarHBondContact CA-O 3.46Å; V158-F185 HydrophobicContact CG1-CD1 4.08Å; V158-F185 HydrophobicContact CG2-CB 4.42Å; V158-F185 HydrophobicContact CG2-CD1 4.22Å
159L94.1Very high87.2Confident1 Ų147.1 Ų47.11%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-103.8118161.9173.860.5000109.2L88 L90 V161 V183 F185 L187 F207L88-L159 HydrophobicContact CB-CD1 4.01Å; L88-L159 HydrophobicContact CD2-CD1 3.89Å; L88-L159 HydrophobicContact CG-CD1 3.8Å; L90-L159 HydrophobicContact CD1-CD1 4.02Å; L90-L159 HydrophobicContact CG-CD1 4Å; L159-V161 HydrophobicContact CD1-CG2 4.13Å; L159-V161 HydrophobicContact CD2-CG2 4.17Å; L159-V161 HydrophobicContact CG-CG2 3.92Å; L159-V183 HydrophobicContact CB-CG1 3.57Å; L159-V183 HydrophobicContact CB-CG2 4.12Å; L159-V183 HydrophobicContact CD2-CG2 4.25Å; L159-F185 PolarHBondContact N-O 3.05Å; L159-L187 PolarHBondContact O-N 3.12Å; L159-F207 HydrophobicContact CD2-CE1 4.23Å; L159-F207 HydrophobicContact CD2-CZ 3.88Å
160V94.9Very high86.8Confident1 Ų144.1 Ų44.11%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-99.4129.8166.9-177.50000108.6T70 L88 V89 L90 W99 V158 L187 L189T70-V160 HydrophobicContact CG2-CB 4.4Å; T70-V160 HydrophobicContact CG2-CG1 3.82Å; T70-V160 HydrophobicContact CG2-CG2 3.63Å; L88-V160 PolarHBondContact O-N 3.22Å; V89-V160 HydrophobicContact CB-CB 4.49Å; V89-V160 HydrophobicContact CG1-CB 4.31Å; V89-V160 HydrophobicContact CG1-CG1 4.35Å; V89-V160 HydrophobicContact CG2-CB 4.19Å; V89-V160 HydrophobicContact CG2-CG2 4.31Å; L90-V160 PolarHBondContact N-O 2.69Å; W99-V160 HydrophobicContact CH2-CG1 4.11Å; W99-V160 HydrophobicContact CZ2-CG1 4.49Å; V158-V160 HydrophobicContact CG1-CG2 3.91Å; V160-L187 CarbonylContact C-O 3.5Å; V160-L187 WeakPolarHBondContact CA-O 3.39Å; V160-L187 HydrophobicContact CG2-CD2 4.49Å; V160-L189 HydrophobicContact CG1-CD1 3.87Å; V160-L189 HydrophobicContact CG1-CG 4.19Å
161V93.5Very high86.6Confident0 Ų049.4 Ų49.40%021%0.213CC..EExtended strand (participates in β ladder)trans-120.2106.6169.2-168.30000108.7L90 Y141 L159 L167 L187 L188 L189 F207L90-V161 HydrophobicContact CB-CG1 4.36Å; L90-V161 HydrophobicContact CD1-CG2 4.25Å; Y141-V161 HydrophobicContact CE1-CG1 3.95Å; L159-V161 HydrophobicContact CD1-CG2 4.13Å; L159-V161 HydrophobicContact CD2-CG2 4.17Å; L159-V161 HydrophobicContact CG-CG2 3.92Å; V161-L167 HydrophobicContact CB-CD1 4.41Å; V161-L167 HydrophobicContact CG1-CD1 4Å; V161-L167 HydrophobicContact CG2-CD1 4.26Å; V161-L187 PolarHBondContact N-O 2.87Å; V161-L188 HydrophobicContact CB-CD2 3.66Å; V161-L188 HydrophobicContact CG1-CD2 4.47Å; V161-L188 HydrophobicContact CG2-CD2 3.81Å; V161-L189 PolarHBondContact O-N 2.92Å; V161-F207 HydrophobicContact CG2-CE1 4.45Å
162D91.8Very high86.4Confident16 Ų1651.3 Ų51.39%0.08623%0.227CC..SBendtrans-73.8157.6171-162.211.2000110.9L90 W99 Y141 A164 L189L90-D162 PolarHBondContact O-N 2.93Å; W99-D162 HydrophobicContact CZ2-CB 4.17Å; W99-D162 PolarHBondContact NE1-OD2 2.94Å; Y141-D162 PolarHBondContact OH-O 2.97Å; D162-A164 VanDerWaalsContact C-N 3.29Å; D162-A164 PolarHBondContact O-N 2.93Å; D162-L189 HydrophobicContact CB-CD1 4.39Å
163E85.8Confident86.3Confident13 Ų1351.7 Ų51.76%0.06124%0.237CC..SBendtrans42.152.8-177.6-72.5-73.3-168.200113.1P92 H165 R166 L189 Q440 R444P92-E163 HydrophobicContact CG-CB 3.93Å; P92-E163 HydrophobicContact CG-CG 4.08Å; E163-H165 PolarHBondContact O-N 3.36Å; E163-H165 PolarHBondContact O-ND1 3.31Å; E163-H165 IonicContact OE2-CE1 2.72Å; E163-H165 PolarHBondContact OE2-CE1 2.18Å; E163-H165 IonicContact OE2-ND1 3.11Å; E163-H165 PolarHBondContact OE2-ND1 3.2Å; E163-H165 VanDerWaalsContact OE2-ND1 3.14Å; E163-R166 PolarHBondContact O-N 3.05Å; E163-L189 PolarHBondContact N-O 2.82Å; E163-L189 VanDerWaalsContact N-O 3.17Å; E163-Q440 PolarHBondContact OE1-NE2 2.78Å; E163-Q440 VanDerWaalsContact OE1-NE2 3.15Å; E163-R444 IonicContact OE1-NH2 3.12Å
164A83.6Confident86.4Confident0 Ų044.1 Ų44.10%021%0.209CC..G310 helixtrans-62.7-4.5-167.900000116.1D162 R166 L167 L188 L189D162-A164 VanDerWaalsContact C-N 3.29Å; D162-A164 PolarHBondContact O-N 2.93Å; A164-R166 PolarHBondContact O-N 3.37Å; A164-L167 PolarHBondContact O-N 2.87Å; A164-L188 HydrophobicContact CB-CB 3.71Å; A164-L188 HydrophobicContact CB-CD1 4.28Å; A164-L188 HydrophobicContact CB-CD2 4.08Å; A164-L188 HydrophobicContact CB-CG 4.24Å; A164-L189 WeakPolarHBondContact CB-O 3.34Å; A164-L189 PolarHBondContact N-O 3.49Å
165H76.5Confident86.4Confident34 Ų3443.6 Ų43.616%0.15721%0.207CC..G310 helixtrans-53.6-19.2167.668.3-105.5000113E163 L167 K168 Q195E163-H165 PolarHBondContact O-N 3.36Å; E163-H165 PolarHBondContact O-ND1 3.31Å; E163-H165 IonicContact OE2-CE1 2.72Å; E163-H165 PolarHBondContact OE2-CE1 2.18Å; E163-H165 IonicContact OE2-ND1 3.11Å; E163-H165 PolarHBondContact OE2-ND1 3.2Å; E163-H165 VanDerWaalsContact OE2-ND1 3.14Å; H165-L167 PolarHBondContact O-N 3.1Å; H165-K168 WeakPolarHBondContact O-CB 3.4Å; H165-K168 WeakPolarHBondContact O-CG 3.44Å; H165-K168 PolarHBondContact O-N 3.18Å; H165-Q195 VanDerWaalsContact CB-OE1 3.26Å
166R79Confident86.4Confident127 Ų12739.8 Ų39.848%0.47920%0.196SC..G310 helixtrans-66.6-16.1172.2-63.7-69.9164.8145.9-3.4114.5Y141 E163 A164 L174Y141-R166 HydrophobicContact CE1-CB 4.31Å; Y141-R166 HydrophobicContact CE1-CG 4.46Å; Y141-R166 HydrophobicContact CE2-CG 4.06Å; E163-R166 PolarHBondContact O-N 3.05Å; A164-R166 PolarHBondContact O-N 3.37Å; R166-L174 HydrophobicContact CB-CD2 4.42Å
167L80Confident86.4Confident0 Ų040.4 Ų40.40%020%0.2CC..G310 helixtrans-99.212.1179.5-65.8178000114.2V161 A164 H165 N169 L174 L178 L188 S203 L204 F207V161-L167 HydrophobicContact CB-CD1 4.41Å; V161-L167 HydrophobicContact CG1-CD1 4Å; V161-L167 HydrophobicContact CG2-CD1 4.26Å; A164-L167 PolarHBondContact O-N 2.87Å; H165-L167 PolarHBondContact O-N 3.1Å; L167-N169 PolarHBondContact O-N 3.35Å; L167-L174 HydrophobicContact CD2-CD2 3.79Å; L167-L174 HydrophobicContact CD2-CG 3.8Å; L167-L178 HydrophobicContact CD2-CD1 4.11Å; L167-L188 HydrophobicContact CD1-CD2 3.81Å; L167-S203 PolarHBondContact O-OG 3.04Å; L167-L204 HydrophobicContact CB-CD2 3.9Å; L167-F207 HydrophobicContact CD1-CD1 3.87Å; L167-F207 HydrophobicContact CD1-CE1 3.81Å; L167-F207 HydrophobicContact CD1-CG 4.24Å; L167-F207 HydrophobicContact CD1-CZ 4.15Å
168K76.5Confident86.4Confident110 Ų11038.4 Ų38.448%0.47819%0.19SC..  trans-62.4-2.7-173.668.1171.8-179176.60118.4H165 E200H165-K168 WeakPolarHBondContact O-CB 3.4Å; H165-K168 WeakPolarHBondContact O-CG 3.44Å; H165-K168 PolarHBondContact O-N 3.18Å; K168-E200 HydrophobicContact CB-CB 3.98Å; K168-E200 HydrophobicContact CB-CG 3.47Å; K168-E200 VanDerWaalsContact CB-CG 3.47Å; K168-E200 WeakPolarHBondContact CB-OE1 3.29Å; K168-E200 WeakPolarHBondContact CB-OE2 3.35Å; K168-E200 WeakPolarHBondContact CD-OE2 3.32Å
169N79.6Confident86.2Confident86 Ų8641.3 Ų41.346%0.4621%0.208SC..  trans-138.1113.1-178.3-177.9-5000109.9L167 N171 S172 S203L167-N169 PolarHBondContact O-N 3.35Å; N169-N171 PolarHBondContact O-N 2.94Å; N169-N171 VanDerWaalsContact O-N 3.12Å; N169-N171 WeakPolarHBondContact OD1-CB 3.34Å; N169-N171 PolarHBondContact OD1-N 3.31Å; N169-S172 WeakPolarHBondContact O-CB 3.46Å; N169-S172 PolarHBondContact O-N 3.31Å; N169-S203 PolarHBondContact N-OG 3.06Å
170Q81.6Confident86Confident29 Ų2946.7 Ų46.714%0.13623%0.233CC..THydrogen-bonded Turntrans-54.6-29.6177.2-61.7178.8-11.900113S172 H175 S203Q170-S172 VanDerWaalsContact C-N 3.28Å; Q170-S172 PolarHBondContact O-N 3.2Å; Q170-H175 PolarHBondContact O-ND1 3.03Å; Q170-S203 WeakPolarHBondContact CG-OG 3.4Å; Q170-S203 PolarHBondContact N-OG 3.22Å; Q170-S203 VanDerWaalsContact N-OG 3.08Å
171N83.1Confident85.8Confident114 Ų11447 Ų4761%0.6123%0.234SC*.THydrogen-bonded Turntrans-75.8-13.4178.3-80.3-57000114.4N169 K176N169-N171 PolarHBondContact O-N 2.94Å; N169-N171 VanDerWaalsContact O-N 3.12Å; N169-N171 WeakPolarHBondContact OD1-CB 3.34Å; N169-N171 PolarHBondContact OD1-N 3.31Å; N171-K176 PolarHBondContact O-NZ 2.8Å; N171-K176 PolarHBondContact OD1-NZ 2.99Å; N171-K176 VanDerWaalsContact OD1-NZ 3.15Å
172S86.1Confident85.6Confident41 Ų4150 Ų5029%0.28726%0.256SS..SBendtrans-58.8138.6176.8-177.90000111.7N169 Q170 L174 H175 K176N169-S172 WeakPolarHBondContact O-CB 3.46Å; N169-S172 PolarHBondContact O-N 3.31Å; Q170-S172 VanDerWaalsContact C-N 3.28Å; Q170-S172 PolarHBondContact O-N 3.2Å; S172-L174 PolarHBondContact O-N 3.05Å; S172-L174 PolarHBondContact OG-N 3.34Å; S172-H175 PolarHBondContact O-N 2.98Å; S172-H175 VanDerWaalsContact O-N 3.07Å; S172-K176 PolarHBondContact O-N 3.26Å; S172-K176 VanDerWaalsContact O-N 3.1Å
173V88.4Confident85.5Confident100 Ų10050.5 Ų50.561%0.60626%0.259SS*.Hα-helixtrans-57.1-34.9175.5-168.50000110.7L145 K176 T177L145-V173 HydrophobicContact CD2-CB 4.22Å; L145-V173 HydrophobicContact CD2-CG1 3.81Å; V173-K176 PolarHBondContact O-N 3.2Å; V173-T177 VanDerWaalsContact O-CB 3.25Å; V173-T177 WeakPolarHBondContact O-CB 3.11Å; V173-T177 PolarHBondContact O-N 3.34Å; V173-T177 PolarHBondContact O-OG1 3.3Å
174L89.3Confident85.6Confident12 Ų1252.1 Ų52.16%0.06328%0.279CS..Hα-helixtrans-63.8-44.4176.7-176.565.7000111.9Y141 L145 R166 L167 S172 L178Y141-L174 HydrophobicContact CD1-CD2 3.85Å; Y141-L174 HydrophobicContact CG-CD2 4.18Å; L145-L174 HydrophobicContact CD1-CB 4.45Å; L145-L174 HydrophobicContact CD2-CB 4.5Å; L145-L174 HydrophobicContact CD2-CD1 4.48Å; L145-L174 HydrophobicContact CG-CD1 4.19Å; R166-L174 HydrophobicContact CB-CD2 4.42Å; L167-L174 HydrophobicContact CD2-CD2 3.79Å; L167-L174 HydrophobicContact CD2-CG 3.8Å; S172-L174 PolarHBondContact O-N 3.05Å; S172-L174 PolarHBondContact OG-N 3.34Å; L174-L178 HydrophobicContact CD1-CD1 3.87Å; L174-L178 HydrophobicContact CD1-CG 4.23Å; L174-L178 HydrophobicContact CG-CD1 4.04Å; L174-L178 WeakPolarHBondContact O-CB 3.5Å; L174-L178 VanDerWaalsContact O-CG 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.25Å; L174-L178 PolarHBondContact O-N 3Å
175H88.4Confident85.9Confident14 Ų1452.4 Ų52.47%0.06528%0.28CS..Hα-helixtrans-64-46.2178.5-176.5-82.5000111.1Q170 S172 T179 F207Q170-H175 PolarHBondContact O-ND1 3.03Å; S172-H175 PolarHBondContact O-N 2.98Å; S172-H175 VanDerWaalsContact O-N 3.07Å; H175-T179 WeakPolarHBondContact O-CB 3.02Å; H175-T179 PolarHBondContact O-N 3.13Å; H175-T179 PolarHBondContact O-OG1 3.08Å; H175-F207 AromaticContact CD2-CD2 3.75Å; H175-F207 AromaticContact NE2-CD2 3.73Å
176K89.3Confident86.8Confident94 Ų9452.2 Ų52.241%0.40928%0.278SS..Hα-helixtrans-61.4-53.2177.3-69.8170.7176.8164.20111.6N171 S172 V173 L178 T179 E180N171-K176 PolarHBondContact O-NZ 2.8Å; N171-K176 PolarHBondContact OD1-NZ 2.99Å; N171-K176 VanDerWaalsContact OD1-NZ 3.15Å; S172-K176 PolarHBondContact O-N 3.26Å; S172-K176 VanDerWaalsContact O-N 3.1Å; V173-K176 PolarHBondContact O-N 3.2Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 3.44Å; K176-T179 WeakPolarHBondContact O-CB 3.49Å; K176-T179 PolarHBondContact O-N 3.11Å; K176-E180 WeakPolarHBondContact O-CG 3.45Å; K176-E180 PolarHBondContact O-N 2.9Å; K176-E180 VanDerWaalsContact O-N 3.14Å
177T90.4Very high87.5Confident14 Ų1446.2 Ų46.29%0.08626%0.256CS..Hα-helixtrans-57.8-40-179.8-56.90000112.6L145 A148 V173 E180 F181L145-T177 HydrophobicContact CD2-CG2 4.37Å; A148-T177 HydrophobicContact CB-CG2 3.69Å; V173-T177 VanDerWaalsContact O-CB 3.25Å; V173-T177 WeakPolarHBondContact O-CB 3.11Å; V173-T177 PolarHBondContact O-N 3.34Å; V173-T177 PolarHBondContact O-OG1 3.3Å; T177-E180 WeakPolarHBondContact O-CB 3.26Å; T177-E180 PolarHBondContact O-N 3.23Å; T177-F181 HydrophobicContact CG2-CE1 3.83Å; T177-F181 HydrophobicContact CG2-CZ 4.39Å; T177-F181 WeakPolarHBondContact O-CD1 3.4Å; T177-F181 VanDerWaalsContact O-CE1 3.24Å; T177-F181 WeakPolarHBondContact O-CE1 3.46Å
178L90.3Very high88.1Confident0 Ų046.3 Ų46.30%026%0.256CS..Hα-helixtrans-78.4-24.7178-66.2176.5000113.6L90 L167 L174 K176 E180 F181 F207L90-L178 HydrophobicContact CD1-CD1 3.52Å; L90-L178 HydrophobicContact CD1-CD2 3.62Å; L90-L178 HydrophobicContact CD1-CG 4.22Å; L167-L178 HydrophobicContact CD2-CD1 4.11Å; L174-L178 HydrophobicContact CD1-CD1 3.87Å; L174-L178 HydrophobicContact CD1-CG 4.23Å; L174-L178 HydrophobicContact CG-CD1 4.04Å; L174-L178 WeakPolarHBondContact O-CB 3.5Å; L174-L178 VanDerWaalsContact O-CG 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.25Å; L174-L178 PolarHBondContact O-N 3Å; K176-L178 VanDerWaalsContact C-N 3.31Å; K176-L178 PolarHBondContact O-N 3.44Å; L178-E180 VanDerWaalsContact C-N 3.26Å; L178-F181 HydrophobicContact CD2-CD2 4.08Å; L178-F181 HydrophobicContact CD2-CE2 3.92Å; L178-F181 HydrophobicContact CD2-CZ 4.23Å; L178-F181 PolarHBondContact O-N 3.12Å; L178-F207 HydrophobicContact CB-CE2 3.67Å; L178-F207 HydrophobicContact CB-CZ 3.79Å; L178-F207 HydrophobicContact CD1-CZ 4.27Å
179T88Confident88.8Confident61 Ų6141 Ų4137%0.37423%0.233SC..Hα-helixtrans-68-31171.8-580000111H175 K176 F181H175-T179 WeakPolarHBondContact O-CB 3.02Å; H175-T179 PolarHBondContact O-N 3.13Å; H175-T179 PolarHBondContact O-OG1 3.08Å; K176-T179 WeakPolarHBondContact O-CB 3.49Å; K176-T179 PolarHBondContact O-N 3.11Å; T179-F181 VanDerWaalsContact C-N 3.26Å; T179-F181 PolarHBondContact O-N 3.07Å
180E89.6Confident89.1Confident115 Ų11537.1 Ų37.154%0.53721%0.212SC..THydrogen-bonded Turntrans-75.2-3.9174.9-62.7159.8-174.600114.2K152 K176 T177 L178K152-E180 WeakPolarHBondContact CE-OE2 3.25Å; K152-E180 IonicContact NZ-OE2 3.87Å; K152-E180 PolarHBondContact NZ-OE2 2.6Å; K176-E180 WeakPolarHBondContact O-CG 3.45Å; K176-E180 PolarHBondContact O-N 2.9Å; K176-E180 VanDerWaalsContact O-N 3.14Å; T177-E180 WeakPolarHBondContact O-CB 3.26Å; T177-E180 PolarHBondContact O-N 3.23Å; L178-E180 VanDerWaalsContact C-N 3.26Å
181F90.6Very high88.8Confident6 Ų636 Ų363%0.02621%0.208CC..SBendtrans-86.2138178.7-76.824.8000110.8L88 A148 L151 K152 T177 L178 T179 V183L88-F181 HydrophobicContact CD2-CD2 3.92Å; L88-F181 HydrophobicContact CD2-CE2 3.75Å; A148-F181 HydrophobicContact CB-CE1 4.5Å; L151-F181 HydrophobicContact CB-CE2 3.75Å; L151-F181 HydrophobicContact CB-CZ 3.73Å; L151-F181 HydrophobicContact CD1-CE2 4.42Å; L151-F181 HydrophobicContact CD1-CZ 4.4Å; K152-F181 HydrophobicContact CD-CD1 4.41Å; K152-F181 HydrophobicContact CD-CE1 4.27Å; K152-F181 HydrophobicContact CG-CD1 3.58Å; K152-F181 HydrophobicContact CG-CE1 3.52Å; K152-F181 HydrophobicContact CG-CZ 4.4Å; T177-F181 HydrophobicContact CG2-CE1 3.83Å; T177-F181 HydrophobicContact CG2-CZ 4.39Å; T177-F181 WeakPolarHBondContact O-CD1 3.4Å; T177-F181 VanDerWaalsContact O-CE1 3.24Å; T177-F181 WeakPolarHBondContact O-CE1 3.46Å; L178-F181 HydrophobicContact CD2-CD2 4.08Å; L178-F181 HydrophobicContact CD2-CE2 3.92Å; L178-F181 HydrophobicContact CD2-CZ 4.23Å; L178-F181 PolarHBondContact O-N 3.12Å; T179-F181 VanDerWaalsContact C-N 3.26Å; T179-F181 PolarHBondContact O-N 3.07Å; F181-V183 HydrophobicContact CB-CG2 3.87Å; F181-V183 PolarHBondContact O-N 2.74Å; F181-V183 VanDerWaalsContact O-N 3.16Å
182S89.6Confident88.2Confident65 Ų6532.1 Ų32.146%0.45519%0.189SC..  trans-73.7105.7170.9-166.50000109.5W156W156-S182 PolarHBondContact N-O 2.9Å
183V90.8Very high86.8Confident26 Ų2630.2 Ų30.216%0.15818%0.175CC..EExtended strand (participates in β ladder)trans-132.1130-173.6178.40000109.9W156 L159 F181 F185 R186W156-V183 HydrophobicContact CB-CG2 4.35Å; W156-V183 CarbonylContact O-C 3.6Å; W156-V183 VanDerWaalsContact O-CA 3.28Å; W156-V183 WeakPolarHBondContact O-CA 3.5Å; L159-V183 HydrophobicContact CB-CG1 3.57Å; L159-V183 HydrophobicContact CB-CG2 4.12Å; L159-V183 HydrophobicContact CD2-CG2 4.25Å; F181-V183 HydrophobicContact CB-CG2 3.87Å; F181-V183 PolarHBondContact O-N 2.74Å; F181-V183 VanDerWaalsContact O-N 3.16Å; V183-F185 VanDerWaalsContact CG1-O 3.24Å; V183-F185 WeakPolarHBondContact CG1-O 3.37Å; V183-R186 HydrophobicContact CG1-CG 3.74Å
184G87.1Confident85.5Confident46 Ų4627 Ų2747%0.47416%0.155SC..EExtended strand (participates in β ladder)trans-77.5-48.3175.800000114W156 E157W156-G184 PolarHBondContact O-N 3.17Å; E157-G184 CarbonylContact O-C 3.59Å
185F90.8Very high83.8Confident6 Ų628 Ų283%0.02616%0.159CC..EExtended strand (participates in β ladder)trans-135138.7-178.4177-98.5000111.2L50 Q54 L73 E157 V158 L159 V183 L187L50-F185 HydrophobicContact CB-CD2 4.1Å; L50-F185 HydrophobicContact CB-CE2 3.91Å; L50-F185 HydrophobicContact CB-CZ 4.26Å; L50-F185 HydrophobicContact CD1-CB 3.54Å; L50-F185 HydrophobicContact CD1-CD1 4.05Å; L50-F185 HydrophobicContact CD1-CD2 3.67Å; L50-F185 HydrophobicContact CD1-CE2 4.31Å; L50-F185 HydrophobicContact CD1-CG 3.51Å; Q54-F185 WeakPolarHBondContact O-CE2 3.42Å; L73-F185 HydrophobicContact CD2-CE1 3.88Å; L73-F185 HydrophobicContact CD2-CZ 4.49Å; E157-F185 PolarHBondContact O-N 3.34Å; V158-F185 WeakPolarHBondContact CA-O 3.46Å; V158-F185 HydrophobicContact CG1-CD1 4.08Å; V158-F185 HydrophobicContact CG2-CB 4.42Å; V158-F185 HydrophobicContact CG2-CD1 4.22Å; L159-F185 PolarHBondContact N-O 3.05Å; V183-F185 VanDerWaalsContact CG1-O 3.24Å; V183-F185 WeakPolarHBondContact CG1-O 3.37Å; F185-L187 HydrophobicContact CE1-CB 3.96Å
186R93.6Very high82.2Confident31 Ų3129.8 Ų29.812%0.11717%0.169CC..EExtended strand (participates in β ladder)trans-117.5121.2-175.1-65.4177.8-178.4-174.8-2.3110.1G55 C56 V183 F207G55-R186 CarbonylContact C-O 3.56Å; G55-R186 WeakPolarHBondContact CA-O 3.45Å; C56-R186 PolarHBondContact N-O 3.01Å; V183-R186 HydrophobicContact CG1-CG 3.74Å; R186-F207 WeakPolarHBondContact CD-O 3.44Å; R186-F207 PolarHBondContact NH1-O 3.24Å
187L94.2Very high81Confident1 Ų128.8 Ų28.81%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-122.3116179175.656.9000110.5L46 C56 L58 T70 L73 L159 V160 V161 F185 L189L46-L187 HydrophobicContact CD2-CD1 3.62Å; L46-L187 HydrophobicContact CD2-CD2 4.29Å; C56-L187 HydrophobicContact CB-CD1 3.93Å; L58-L187 HydrophobicContact CB-CD1 4.36Å; T70-L187 HydrophobicContact CG2-CD2 3.76Å; L73-L187 HydrophobicContact CD2-CD2 4.03Å; L159-L187 PolarHBondContact O-N 3.12Å; V160-L187 CarbonylContact C-O 3.5Å; V160-L187 WeakPolarHBondContact CA-O 3.39Å; V160-L187 HydrophobicContact CG2-CD2 4.49Å; V161-L187 PolarHBondContact N-O 2.87Å; F185-L187 HydrophobicContact CE1-CB 3.96Å; L187-L189 HydrophobicContact CD1-CD2 3.94Å; L187-L189 HydrophobicContact CD2-CD2 4.04Å; L187-L189 HydrophobicContact CG-CD2 3.76Å
188L93.1Very high80.2Confident1 Ų128.4 Ų28.41%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-98.8131173.6-59.9-170.2000110C56 I57 L58 V161 A164 L167 L204 F207 I208C56-L188 PolarHBondContact O-N 3.46Å; I57-L188 CarbonylContact C-O 3.54Å; I57-L188 WeakPolarHBondContact CA-O 3.48Å; L58-L188 PolarHBondContact N-O 2.92Å; V161-L188 HydrophobicContact CB-CD2 3.66Å; V161-L188 HydrophobicContact CG1-CD2 4.47Å; V161-L188 HydrophobicContact CG2-CD2 3.81Å; A164-L188 HydrophobicContact CB-CB 3.71Å; A164-L188 HydrophobicContact CB-CD1 4.28Å; A164-L188 HydrophobicContact CB-CD2 4.08Å; A164-L188 HydrophobicContact CB-CG 4.24Å; L167-L188 HydrophobicContact CD1-CD2 3.81Å; L188-L204 HydrophobicContact CD1-CB 4.08Å; L188-L204 HydrophobicContact CD1-CD2 3.92Å; L188-F207 HydrophobicContact CD1-CD1 4.22Å; L188-F207 HydrophobicContact CD2-CD1 3.88Å; L188-F207 HydrophobicContact CD2-CE1 3.92Å; L188-F207 HydrophobicContact CG-CD1 4.42Å; L188-I208 HydrophobicContact CB-CD1 4.22Å; L188-I208 HydrophobicContact CD1-CD1 3.63Å; L188-I208 HydrophobicContact CD1-CG1 3.68Å; L188-I208 HydrophobicContact CG-CD1 3.74Å; L188-I208 HydrophobicContact CG-CG1 3.78Å
189L91.7Very high79.7Confident0 Ų031.1 Ų31.10%018%0.178CC..EExtended strand (participates in β ladder)trans-110.3134.5173.8-42.1176.7000109.3L58 K66 T70 W99 V160 V161 D162 E163 A164 L187L58-L189 HydrophobicContact CB-CD2 3.82Å; L58-L189 HydrophobicContact CD2-CD2 4.16Å; K66-L189 HydrophobicContact CD-CB 4.34Å; T70-L189 WeakPolarHBondContact OG1-CD2 3.39Å; W99-L189 HydrophobicContact CH2-CD1 3.85Å; W99-L189 HydrophobicContact CZ2-CD1 3.63Å; V160-L189 HydrophobicContact CG1-CD1 3.87Å; V160-L189 HydrophobicContact CG1-CG 4.19Å; V161-L189 PolarHBondContact O-N 2.92Å; D162-L189 HydrophobicContact CB-CD1 4.39Å; E163-L189 PolarHBondContact N-O 2.82Å; E163-L189 VanDerWaalsContact N-O 3.17Å; A164-L189 WeakPolarHBondContact CB-O 3.34Å; A164-L189 PolarHBondContact N-O 3.49Å; L187-L189 HydrophobicContact CD1-CD2 3.94Å; L187-L189 HydrophobicContact CD2-CD2 4.04Å; L187-L189 HydrophobicContact CG-CD2 3.76Å
190T86.1Confident79.3Confident3 Ų328.7 Ų28.72%0.01816%0.163CC..  trans-153.3143.4179.31750000111.2I57 L58 G59 K66 T192 P193I57-T190 HydrophobicContact CG2-CG2 3.66Å; L58-T190 PolarHBondContact O-N 2.97Å; L58-T190 VanDerWaalsContact O-N 3.07Å; G59-T190 WeakPolarHBondContact CA-O 3.4Å; K66-T190 VanDerWaalsContact CE-O 3.26Å; K66-T190 WeakPolarHBondContact CE-O 3.4Å; K66-T190 PolarHBondContact NZ-O 2.79Å; T190-T192 VanDerWaalsContact C-N 3.33Å; T190-T192 PolarHBondContact OG1-N 3Å; T190-T192 PolarHBondContact OG1-O 3.21Å; T190-P193 HydrophobicContact CG2-CB 3.66Å; T190-P193 HydrophobicContact CG2-CG 4.46Å
191G75.1Confident78.8Confident5 Ų523.4 Ų23.45%0.05214%0.138CC..SBendtrans-80.3-17.2169.900000113.8
192T69.6Low78.6Confident33 Ų3323.1 Ų23.120%0.20214%0.137CC..  trans-147.278-168.546.80000107.8T190 I194 Q195T190-T192 VanDerWaalsContact C-N 3.33Å; T190-T192 PolarHBondContact OG1-N 3Å; T190-T192 PolarHBondContact OG1-O 3.21Å; T192-I194 PolarHBondContact O-N 2.85Å; T192-I194 VanDerWaalsContact O-N 3.09Å; T192-Q195 PolarHBondContact OG1-NE2 3.03Å
193P57.3Low78.4Confident1 Ų120 Ų201%0.00612%0.115CC..SBendtrans-66.5-7.5-174.123.7-33.5000115.4I57 T190 L246I57-P193 HydrophobicContact CG2-CB 4.36Å; T190-P193 HydrophobicContact CG2-CB 3.66Å; T190-P193 HydrophobicContact CG2-CG 4.46Å; P193-L246 HydrophobicContact CB-CD1 3.94Å; P193-L246 HydrophobicContact CG-CD1 4.13Å
194I60.3Low78.2Confident33 Ų3319 Ų1917%0.16911%0.109CC..  trans-134.886.7-175.9-52.9171.6000107.8T192 N196 F489T192-I194 PolarHBondContact O-N 2.85Å; T192-I194 VanDerWaalsContact O-N 3.09Å; I194-N196 VanDerWaalsContact C-N 3.34Å; I194-N196 PolarHBondContact O-N 3.16Å; I194-F489 HydrophobicContact CD1-CD1 4.25Å; I194-F489 HydrophobicContact CD1-CE1 3.82Å
195Q53.3Low78.3Confident33 Ų3316.8 Ų16.815%0.1549%0.086CC..  trans-95.459175.9-60.4-159.5-57.600112.2H165 T192H165-Q195 VanDerWaalsContact CB-OE1 3.26Å; T192-Q195 PolarHBondContact OG1-NE2 3.03Å
196N56.1Low78.2Confident52 Ų5216.8 Ų16.828%0.2789%0.087SC..SBendtrans86.5-7.3161.4-39.3-29.1000119I194I194-N196 VanDerWaalsContact C-N 3.34Å; I194-N196 PolarHBondContact O-N 3.16Å
197N63.9Low77.9Confident73 Ų7315.3 Ų15.339%0.398%0.081SC..  trans-136.1138.7-178-168.6-12.2000114Q199 E200 L201N197-Q199 VanDerWaalsContact C-N 3.33Å; N197-Q199 PolarHBondContact OD1-N 2.82Å; N197-E200 HydrophobicContact CB-CB 4.32Å; N197-E200 WeakPolarHBondContact O-CB 3.49Å; N197-E200 PolarHBondContact O-N 3.08Å; N197-L201 PolarHBondContact O-N 2.87Å
198L73.5Confident77.7Confident5 Ų515.5 Ų15.53%0.0268%0.082CC..Hα-helixtrans-63.5-34.8170.9-72.9-179.9000112.9E200 L201 Y202 F221 V222 L238 L491L198-E200 PolarHBondContact O-N 3.01Å; L198-L201 HydrophobicContact CD2-CD2 4.28Å; L198-L201 PolarHBondContact O-N 3.33Å; L198-Y202 WeakPolarHBondContact O-CB 3.39Å; L198-Y202 PolarHBondContact O-N 3.43Å; L198-F221 HydrophobicContact CD2-CE1 4.33Å; L198-V222 HydrophobicContact CB-CG1 4.44Å; L198-V222 HydrophobicContact CB-CG2 3.71Å; L198-V222 HydrophobicContact CD1-CG1 4.4Å; L198-L238 HydrophobicContact CD2-CD2 4.09Å; L198-L491 HydrophobicContact CD1-CD1 3.49Å; L198-L491 VanDerWaalsContact CD1-CD1 3.49Å; L198-L491 HydrophobicContact CD2-CD1 4.04Å; L198-L491 HydrophobicContact CD2-CD2 3.85Å; L198-L491 HydrophobicContact CG-CD1 3.5Å; L198-L491 HydrophobicContact CG-CD2 3.7Å; L198-L491 HydrophobicContact CG-CG 4.22Å
199Q78.9Confident77.4Confident58 Ų5817 Ų1727%0.2719%0.089SC..Hα-helixtrans-63.4-31.8178.3-158.576.9-11.600111N197 S203 D219 V222N197-Q199 VanDerWaalsContact C-N 3.33Å; N197-Q199 PolarHBondContact OD1-N 2.82Å; Q199-S203 VanDerWaalsContact O-CB 3.24Å; Q199-S203 WeakPolarHBondContact O-CB 3.37Å; Q199-S203 PolarHBondContact O-N 2.92Å; Q199-D219 PolarHBondContact NE2-OD1 3.1Å; Q199-V222 HydrophobicContact CB-CG2 4.48Å
200E79.6Confident77.1Confident10 Ų1019.5 Ų19.55%0.04711%0.105CC..Hα-helixtrans-69.7-48.5172.5163.3161.2-174.100111.1K168 N197 L198 Y202 S203 L204K168-E200 HydrophobicContact CB-CB 3.98Å; K168-E200 HydrophobicContact CB-CG 3.47Å; K168-E200 VanDerWaalsContact CB-CG 3.47Å; K168-E200 WeakPolarHBondContact CB-OE1 3.29Å; K168-E200 WeakPolarHBondContact CB-OE2 3.35Å; K168-E200 WeakPolarHBondContact CD-OE2 3.32Å; N197-E200 HydrophobicContact CB-CB 4.32Å; N197-E200 WeakPolarHBondContact O-CB 3.49Å; N197-E200 PolarHBondContact O-N 3.08Å; L198-E200 PolarHBondContact O-N 3.01Å; E200-Y202 VanDerWaalsContact C-N 3.31Å; E200-Y202 PolarHBondContact O-N 3.04Å; E200-S203 VanDerWaalsContact O-CB 3.27Å; E200-S203 WeakPolarHBondContact O-CB 3.28Å; E200-S203 PolarHBondContact O-N 2.98Å; E200-S203 VanDerWaalsContact O-N 3.12Å; E200-L204 WeakPolarHBondContact O-CG 3.42Å; E200-L204 PolarHBondContact O-N 2.86Å
201L80.3Confident76.9Confident4 Ų423.5 Ų23.52%0.02113%0.134CC..Hα-helixtrans-56.9-44.8175.5-17962.1000111.8N197 L198 L204 L205 L242N197-L201 PolarHBondContact O-N 2.87Å; L198-L201 HydrophobicContact CD2-CD2 4.28Å; L198-L201 PolarHBondContact O-N 3.33Å; L201-L204 PolarHBondContact O-N 3.01Å; L201-L205 HydrophobicContact CG-CD1 4.35Å; L201-L205 WeakPolarHBondContact O-CG 3.15Å; L201-L205 PolarHBondContact O-N 3.11Å; L201-L242 HydrophobicContact CD1-CD2 3.93Å; L201-L242 HydrophobicContact CD2-CD1 4.15Å; L201-L242 HydrophobicContact CD2-CD2 4.23Å; L201-L242 HydrophobicContact CG-CD2 4.32Å
202Y85.1Confident77.3Confident0 Ų023.5 Ų23.50%013%0.132CC..Hα-helixtrans-69.1-33.1177.2-161.6-85.6000112.4L198 E200 L204 L205 S206 F213 T214 E217 A218 F221L198-Y202 WeakPolarHBondContact O-CB 3.39Å; L198-Y202 PolarHBondContact O-N 3.43Å; E200-Y202 VanDerWaalsContact C-N 3.31Å; E200-Y202 PolarHBondContact O-N 3.04Å; Y202-L204 VanDerWaalsContact C-N 3.34Å; Y202-L204 PolarHBondContact O-N 2.95Å; Y202-L205 PolarHBondContact O-N 3.2Å; Y202-S206 WeakPolarHBondContact O-CB 3.07Å; Y202-S206 PolarHBondContact O-N 3.02Å; Y202-F213 HydrophobicContact CD2-CD1 4.5Å; Y202-F213 HydrophobicContact CE1-CB 4.42Å; Y202-F213 HydrophobicContact CE2-CB 4.36Å; Y202-F213 AromaticContact CE2-CD1 3.83Å; Y202-F213 HydrophobicContact CE2-CD1 3.83Å; Y202-F213 WeakPolarHBondContact OH-CA 3.33Å; Y202-T214 WeakPolarHBondContact CE1-O 3.45Å; Y202-T214 PolarHBondContact OH-N 2.73Å; Y202-T214 PolarHBondContact OH-O 3.33Å; Y202-E217 VanDerWaalsContact OH-CB 3.31Å; Y202-E217 WeakPolarHBondContact OH-CB 3.39Å; Y202-A218 HydrophobicContact CD1-CB 3.45Å; Y202-A218 VanDerWaalsContact CD1-CB 3.45Å; Y202-A218 HydrophobicContact CE1-CB 3.63Å; Y202-A218 HydrophobicContact CG-CB 4.26Å; Y202-F221 HydrophobicContact CD2-CB 3.74Å; Y202-F221 AromaticContact CD2-CD1 3.41Å; Y202-F221 HydrophobicContact CD2-CD1 3.41Å; Y202-F221 VanDerWaalsContact CD2-CD1 3.41Å; Y202-F221 AromaticContact CD2-CD2 3.88Å; Y202-F221 HydrophobicContact CD2-CD2 3.88Å; Y202-F221 AromaticContact CD2-CE1 3.86Å; Y202-F221 HydrophobicContact CD2-CE1 3.86Å; Y202-F221 HydrophobicContact CD2-CE2 4.29Å; Y202-F221 AromaticContact CD2-CG 3.41Å; Y202-F221 HydrophobicContact CD2-CG 3.41Å; Y202-F221 VanDerWaalsContact CD2-CG 3.41Å; Y202-F221 HydrophobicContact CD2-CZ 4.26Å; Y202-F221 HydrophobicContact CE2-CB 3.68Å; Y202-F221 HydrophobicContact CE2-CD1 4.16Å; Y202-F221 AromaticContact CE2-CD2 3.87Å; Y202-F221 HydrophobicContact CE2-CD2 3.87Å; Y202-F221 AromaticContact CE2-CG 3.65Å; Y202-F221 HydrophobicContact CE2-CG 3.65Å; Y202-F221 HydrophobicContact CG-CD1 4.17Å; Y202-F221 HydrophobicContact CG-CG 4.45Å
203S86.5Confident78.1Confident0 Ų021.9 Ų21.90%012%0.123CC..Hα-helixtrans-58.4-44.9169.4-168.80000111.2L167 N169 Q170 Q199 E200 F207L167-S203 PolarHBondContact O-OG 3.04Å; N169-S203 PolarHBondContact N-OG 3.06Å; Q170-S203 WeakPolarHBondContact CG-OG 3.4Å; Q170-S203 PolarHBondContact N-OG 3.22Å; Q170-S203 VanDerWaalsContact N-OG 3.08Å; Q199-S203 VanDerWaalsContact O-CB 3.24Å; Q199-S203 WeakPolarHBondContact O-CB 3.37Å; Q199-S203 PolarHBondContact O-N 2.92Å; E200-S203 VanDerWaalsContact O-CB 3.27Å; E200-S203 WeakPolarHBondContact O-CB 3.28Å; E200-S203 PolarHBondContact O-N 2.98Å; E200-S203 VanDerWaalsContact O-N 3.12Å; S203-F207 WeakPolarHBondContact O-CB 3.27Å; S203-F207 PolarHBondContact O-N 3.5Å
204L87.1Confident79.3Confident3 Ų323.7 Ų23.72%0.01613%0.134CC..Hα-helixtrans-69-40.6177.7-57.6177.4000112.3I57 L167 L188 E200 L201 Y202 F207 I208I57-L204 HydrophobicContact CD1-CB 4.02Å; I57-L204 HydrophobicContact CD1-CD1 4.48Å; L167-L204 HydrophobicContact CB-CD2 3.9Å; L188-L204 HydrophobicContact CD1-CB 4.08Å; L188-L204 HydrophobicContact CD1-CD2 3.92Å; E200-L204 WeakPolarHBondContact O-CG 3.42Å; E200-L204 PolarHBondContact O-N 2.86Å; L201-L204 PolarHBondContact O-N 3.01Å; Y202-L204 VanDerWaalsContact C-N 3.34Å; Y202-L204 PolarHBondContact O-N 2.95Å; L204-F207 PolarHBondContact O-N 3.18Å; L204-I208 WeakPolarHBondContact O-CG1 3.39Å; L204-I208 PolarHBondContact O-N 3.11Å; L204-I208 VanDerWaalsContact O-N 3.08Å
205L87.3Confident80.2Confident0 Ų025.6 Ų25.60%015%0.148CC..Hα-helixtrans-66-45.6177.1-70.2172.5000112.7L201 Y202 F207 I208 Q209 F213 L242 F245L201-L205 HydrophobicContact CG-CD1 4.35Å; L201-L205 WeakPolarHBondContact O-CG 3.15Å; L201-L205 PolarHBondContact O-N 3.11Å; Y202-L205 PolarHBondContact O-N 3.2Å; L205-F207 VanDerWaalsContact C-N 3.29Å; L205-F207 PolarHBondContact O-N 3.24Å; L205-I208 WeakPolarHBondContact O-CG2 3.47Å; L205-I208 PolarHBondContact O-N 3.39Å; L205-I208 VanDerWaalsContact O-N 3.16Å; L205-Q209 PolarHBondContact O-N 3.03Å; L205-F213 HydrophobicContact CB-CB 4.48Å; L205-F213 HydrophobicContact CB-CD1 4.24Å; L205-F213 HydrophobicContact CB-CD2 3.9Å; L205-F213 HydrophobicContact CB-CE1 4.42Å; L205-F213 HydrophobicContact CB-CE2 4.1Å; L205-F213 HydrophobicContact CB-CG 3.97Å; L205-F213 HydrophobicContact CB-CZ 4.35Å; L205-F213 HydrophobicContact CD1-CD1 4.45Å; L205-F213 HydrophobicContact CD1-CE1 4.02Å; L205-F213 HydrophobicContact CD1-CZ 4.11Å; L205-F213 HydrophobicContact CD2-CE2 4.21Å; L205-F213 HydrophobicContact CD2-CZ 4.28Å; L205-F213 HydrophobicContact CG-CZ 4.49Å; L205-L242 HydrophobicContact CD1-CD2 3.88Å; L205-L242 HydrophobicContact CD2-CD2 4.06Å; L205-L242 HydrophobicContact CG-CD2 4.39Å; L205-F245 HydrophobicContact CD2-CB 4.28Å; L205-F245 HydrophobicContact CD2-CD2 4.33Å; L205-F245 HydrophobicContact CD2-CG 4.49Å
206S88.8Confident81.5Confident7 Ų732.2 Ų32.25%0.04918%0.179CC..Hα-helixtrans-63.4-35.5175.2-169.10000111.7Y202 P210 F213Y202-S206 WeakPolarHBondContact O-CB 3.07Å; Y202-S206 PolarHBondContact O-N 3.02Å; S206-P210 WeakPolarHBondContact O-CD 3.47Å; S206-P210 VanDerWaalsContact O-CG 3.31Å; S206-P210 WeakPolarHBondContact O-CG 3.36Å; S206-F213 WeakPolarHBondContact CA-O 3.31Å; S206-F213 VanDerWaalsContact CB-O 3.3Å; S206-F213 WeakPolarHBondContact CB-O 3.5Å; S206-F213 PolarHBondContact OG-O 2.65Å
207F89.2Confident82.7Confident0 Ų032.7 Ų32.70%018%0.18CC..Hα-helixtrans-64.6-39.2171.8-171.6-99.4000113.2L159 V161 L167 H175 L178 R186 L188 S203 L204 L205L159-F207 HydrophobicContact CD2-CE1 4.23Å; L159-F207 HydrophobicContact CD2-CZ 3.88Å; V161-F207 HydrophobicContact CG2-CE1 4.45Å; L167-F207 HydrophobicContact CD1-CD1 3.87Å; L167-F207 HydrophobicContact CD1-CE1 3.81Å; L167-F207 HydrophobicContact CD1-CG 4.24Å; L167-F207 HydrophobicContact CD1-CZ 4.15Å; H175-F207 AromaticContact CD2-CD2 3.75Å; H175-F207 AromaticContact NE2-CD2 3.73Å; L178-F207 HydrophobicContact CB-CE2 3.67Å; L178-F207 HydrophobicContact CB-CZ 3.79Å; L178-F207 HydrophobicContact CD1-CZ 4.27Å; R186-F207 WeakPolarHBondContact CD-O 3.44Å; R186-F207 PolarHBondContact NH1-O 3.24Å; L188-F207 HydrophobicContact CD1-CD1 4.22Å; L188-F207 HydrophobicContact CD2-CD1 3.88Å; L188-F207 HydrophobicContact CD2-CE1 3.92Å; L188-F207 HydrophobicContact CG-CD1 4.42Å; S203-F207 WeakPolarHBondContact O-CB 3.27Å; S203-F207 PolarHBondContact O-N 3.5Å; L204-F207 PolarHBondContact O-N 3.18Å; L205-F207 VanDerWaalsContact C-N 3.29Å; L205-F207 PolarHBondContact O-N 3.24Å
208I88.8Confident83.4Confident4 Ų429.3 Ų29.32%0.02116%0.162CC..Hα-helixtrans-80-39.5-176.8-55.8165.2000113.3C56 I57 L188 L204 L205C56-I208 VanDerWaalsContact C-CD1 3.45Å; C56-I208 WeakPolarHBondContact O-CD1 3.38Å; I57-I208 HydrophobicContact CB-CD1 4.49Å; I57-I208 HydrophobicContact CD1-CD1 3.88Å; I57-I208 HydrophobicContact CG1-CD1 3.52Å; L188-I208 HydrophobicContact CB-CD1 4.22Å; L188-I208 HydrophobicContact CD1-CD1 3.63Å; L188-I208 HydrophobicContact CD1-CG1 3.68Å; L188-I208 HydrophobicContact CG-CD1 3.74Å; L188-I208 HydrophobicContact CG-CG1 3.78Å; L204-I208 WeakPolarHBondContact O-CG1 3.39Å; L204-I208 PolarHBondContact O-N 3.11Å; L204-I208 VanDerWaalsContact O-N 3.08Å; L205-I208 WeakPolarHBondContact O-CG2 3.47Å; L205-I208 PolarHBondContact O-N 3.39Å; L205-I208 VanDerWaalsContact O-N 3.16Å
209Q87.3Confident83.8Confident32 Ų3234.2 Ų34.215%0.1519%0.188CC..  trans-13976-176.8-168.366.7-61.900111.6H53 L205 S211 I212 F213 F245H53-Q209 PolarHBondContact O-NE2 2.86Å; L205-Q209 PolarHBondContact O-N 3.03Å; Q209-S211 VanDerWaalsContact CD-OG 3.23Å; Q209-S211 WeakPolarHBondContact CG-OG 3.43Å; Q209-S211 PolarHBondContact O-N 3.27Å; Q209-S211 PolarHBondContact OE1-OG 2.86Å; Q209-S211 VanDerWaalsContact OE1-OG 3.1Å; Q209-I212 HydrophobicContact CG-CB 4.19Å; Q209-I212 HydrophobicContact CG-CD1 3.96Å; Q209-I212 HydrophobicContact CG-CG1 3.97Å; Q209-I212 PolarHBondContact O-N 2.78Å; Q209-I212 VanDerWaalsContact O-N 3.11Å; Q209-F213 PolarHBondContact O-N 3.5Å; Q209-F213 VanDerWaalsContact O-N 3.17Å; Q209-F245 HydrophobicContact CB-CE1 4.37Å
210P84.3Confident83.9Confident53 Ų5335.2 Ų35.234%0.34420%0.201SC..THydrogen-bonded Turntrans-59.2-19.4-179-20.629.3000114.6S206 I212S206-P210 WeakPolarHBondContact O-CD 3.47Å; S206-P210 VanDerWaalsContact O-CG 3.31Å; S206-P210 WeakPolarHBondContact O-CG 3.36Å; P210-I212 VanDerWaalsContact C-N 3.34Å
211S83.4Confident83.9Confident88 Ų8834.9 Ų34.962%0.61520%0.2SC*.THydrogen-bonded Turntrans-74.3-20.7178.954.40000114Q209Q209-S211 VanDerWaalsContact CD-OG 3.23Å; Q209-S211 WeakPolarHBondContact CG-OG 3.43Å; Q209-S211 PolarHBondContact O-N 3.27Å; Q209-S211 PolarHBondContact OE1-OG 2.86Å; Q209-S211 VanDerWaalsContact OE1-OG 3.1Å
212I83.8Confident83.8Confident4 Ų436 Ų362%0.02121%0.207CC..THydrogen-bonded Turntrans-106.1-43.1177.1-64.5179.1000110.3K7 I8 T11 Q209 P210 F245K7-I212 HydrophobicContact CB-CG2 4.43Å; K7-I212 PolarHBondContact NZ-O 2.96Å; I8-I212 HydrophobicContact CG1-CG2 4.01Å; T11-I212 HydrophobicContact CG2-CD1 4.32Å; Q209-I212 HydrophobicContact CG-CB 4.19Å; Q209-I212 HydrophobicContact CG-CD1 3.96Å; Q209-I212 HydrophobicContact CG-CG1 3.97Å; Q209-I212 PolarHBondContact O-N 2.78Å; Q209-I212 VanDerWaalsContact O-N 3.11Å; P210-I212 VanDerWaalsContact C-N 3.34Å; I212-F245 HydrophobicContact CD1-CZ 4.07Å
213F84.8Confident83.5Confident0 Ų040.2 Ų40.20%024%0.236CC..SBendtrans-110.889.3-175.2-56.1-80.5000110.4I4 I8 Y202 L205 S206 Q209 I241 F245I4-F213 HydrophobicContact CG2-CD1 4.36Å; I4-F213 HydrophobicContact CG2-CE1 3.74Å; I4-F213 HydrophobicContact CG2-CZ 4.45Å; I8-F213 HydrophobicContact CD1-CZ 4.12Å; Y202-F213 HydrophobicContact CD2-CD1 4.5Å; Y202-F213 HydrophobicContact CE1-CB 4.42Å; Y202-F213 HydrophobicContact CE2-CB 4.36Å; Y202-F213 AromaticContact CE2-CD1 3.83Å; Y202-F213 HydrophobicContact CE2-CD1 3.83Å; Y202-F213 WeakPolarHBondContact OH-CA 3.33Å; L205-F213 HydrophobicContact CB-CB 4.48Å; L205-F213 HydrophobicContact CB-CD1 4.24Å; L205-F213 HydrophobicContact CB-CD2 3.9Å; L205-F213 HydrophobicContact CB-CE1 4.42Å; L205-F213 HydrophobicContact CB-CE2 4.1Å; L205-F213 HydrophobicContact CB-CG 3.97Å; L205-F213 HydrophobicContact CB-CZ 4.35Å; L205-F213 HydrophobicContact CD1-CD1 4.45Å; L205-F213 HydrophobicContact CD1-CE1 4.02Å; L205-F213 HydrophobicContact CD1-CZ 4.11Å; L205-F213 HydrophobicContact CD2-CE2 4.21Å; L205-F213 HydrophobicContact CD2-CZ 4.28Å; L205-F213 HydrophobicContact CG-CZ 4.49Å; S206-F213 WeakPolarHBondContact CA-O 3.31Å; S206-F213 VanDerWaalsContact CB-O 3.3Å; S206-F213 WeakPolarHBondContact CB-O 3.5Å; S206-F213 PolarHBondContact OG-O 2.65Å; Q209-F213 PolarHBondContact O-N 3.5Å; Q209-F213 VanDerWaalsContact O-N 3.17Å; F213-I241 HydrophobicContact CE1-CG2 4.05Å; F213-I241 HydrophobicContact CZ-CG2 4.02Å; F213-F245 HydrophobicContact CE2-CD2 4.13Å; F213-F245 AromaticContact CE2-CE2 3.62Å; F213-F245 HydrophobicContact CE2-CE2 3.62Å; F213-F245 AromaticContact CE2-CZ 3.94Å; F213-F245 HydrophobicContact CE2-CZ 3.94Å; F213-F245 HydrophobicContact CZ-CD2 4.28Å; F213-F245 AromaticContact CZ-CE2 3.81Å; F213-F245 HydrophobicContact CZ-CE2 3.81Å
214T84.1Confident83Confident39 Ų3943.2 Ų43.224%0.23926%0.257CS..  trans-75.7144177.355.40000110.6Y202 E216 E217Y202-T214 WeakPolarHBondContact CE1-O 3.45Å; Y202-T214 PolarHBondContact OH-N 2.73Å; Y202-T214 PolarHBondContact OH-O 3.33Å; T214-E216 PolarHBondContact O-N 3.35Å; T214-E216 VanDerWaalsContact O-N 3.12Å; T214-E217 PolarHBondContact O-N 3.16Å; T214-E217 WeakPolarHBondContact OG1-CG 3.37Å
215P77.9Confident82.3Confident72 Ų7243.4 Ų43.447%0.46826%0.258SS..G310 helixtrans-61.1-25.7-179.525.4-34.6000112.8A218P215-A218 VanDerWaalsContact O-CB 3.25Å; P215-A218 WeakPolarHBondContact O-CB 3.39Å; P215-A218 PolarHBondContact O-N 2.95Å
216E80.8Confident81.3Confident173 Ų17345.3 Ų45.381%0.80827%0.271SS*.G310 helixtrans-68.8-29.7176.1-67.3150.6-144.400113.6T214 A218T214-E216 PolarHBondContact O-N 3.35Å; T214-E216 VanDerWaalsContact O-N 3.12Å; E216-A218 VanDerWaalsContact C-N 3.25Å; E216-A218 PolarHBondContact O-N 3.42Å
217E81.7Confident80.2Confident62 Ų6249.1 Ų49.129%0.2929%0.291SS..G310 helixtrans-80-3.9178.3-79.3175.5-154.200112.9K7 Y202 T214 S220 F221K7-E217 IonicContact NZ-OE1 2.78Å; K7-E217 PolarHBondContact NZ-OE1 3.18Å; K7-E217 IonicContact NZ-OE2 2.86Å; K7-E217 PolarHBondContact NZ-OE2 3.38Å; Y202-E217 VanDerWaalsContact OH-CB 3.31Å; Y202-E217 WeakPolarHBondContact OH-CB 3.39Å; T214-E217 PolarHBondContact O-N 3.16Å; T214-E217 WeakPolarHBondContact OG1-CG 3.37Å; E217-S220 PolarHBondContact O-N 3.05Å; E217-F221 WeakPolarHBondContact O-CB 3.49Å; E217-F221 PolarHBondContact O-N 3.47Å
218A79.4Confident78.9Confident1 Ų149.2 Ų49.21%0.00829%0.291CS..Hα-helixtrans-59.5-52.5-173.800000113.7Y202 P215 E216 S220 F221 V222Y202-A218 HydrophobicContact CD1-CB 3.45Å; Y202-A218 VanDerWaalsContact CD1-CB 3.45Å; Y202-A218 HydrophobicContact CE1-CB 3.63Å; Y202-A218 HydrophobicContact CG-CB 4.26Å; P215-A218 VanDerWaalsContact O-CB 3.25Å; P215-A218 WeakPolarHBondContact O-CB 3.39Å; P215-A218 PolarHBondContact O-N 2.95Å; E216-A218 VanDerWaalsContact C-N 3.25Å; E216-A218 PolarHBondContact O-N 3.42Å; A218-S220 VanDerWaalsContact C-N 3.27Å; A218-S220 PolarHBondContact O-N 2.97Å; A218-F221 WeakPolarHBondContact O-CB 3.22Å; A218-F221 PolarHBondContact O-N 3.35Å; A218-F221 VanDerWaalsContact O-N 3.13Å; A218-V222 PolarHBondContact O-N 3.44Å
219D79.9Confident77.2Confident109 Ų10955.1 Ų55.158%0.58331%0.314SS*.Hα-helixtrans-70.2-28.8-175.7-62.6-16.4000111.5Q199 S223Q199-D219 PolarHBondContact NE2-OD1 3.1Å; D219-S223 VanDerWaalsContact O-CB 3.28Å; D219-S223 WeakPolarHBondContact O-CB 3.45Å; D219-S223 PolarHBondContact O-N 3.04Å; D219-S223 PolarHBondContact O-OG 2.83Å
220S81.1Confident75.9Confident78 Ų7857.3 Ų57.355%0.54533%0.332SS..Hα-helixtrans-67.3-42.6170.9-174.60000111.6E217 A218 S223 S224E217-S220 PolarHBondContact O-N 3.05Å; A218-S220 VanDerWaalsContact C-N 3.27Å; A218-S220 PolarHBondContact O-N 2.97Å; S220-S223 PolarHBondContact O-N 2.89Å; S220-S224 WeakPolarHBondContact O-CB 3.45Å; S220-S224 PolarHBondContact O-N 3.49Å; S220-S224 PolarHBondContact O-OG 2.97Å
221F81.1Confident75.2Confident3 Ų361.5 Ų61.51%0.01334%0.341CS..Hα-helixtrans-62.6-48174.4-179.9-89.9000111.7I4 L198 Y202 E217 A218 S223 S224 Y225 L238 I241I4-F221 HydrophobicContact CD1-CD2 3.81Å; L198-F221 HydrophobicContact CD2-CE1 4.33Å; Y202-F221 HydrophobicContact CD2-CB 3.74Å; Y202-F221 AromaticContact CD2-CD1 3.41Å; Y202-F221 HydrophobicContact CD2-CD1 3.41Å; Y202-F221 VanDerWaalsContact CD2-CD1 3.41Å; Y202-F221 AromaticContact CD2-CD2 3.88Å; Y202-F221 HydrophobicContact CD2-CD2 3.88Å; Y202-F221 AromaticContact CD2-CE1 3.86Å; Y202-F221 HydrophobicContact CD2-CE1 3.86Å; Y202-F221 HydrophobicContact CD2-CE2 4.29Å; Y202-F221 AromaticContact CD2-CG 3.41Å; Y202-F221 HydrophobicContact CD2-CG 3.41Å; Y202-F221 VanDerWaalsContact CD2-CG 3.41Å; Y202-F221 HydrophobicContact CD2-CZ 4.26Å; Y202-F221 HydrophobicContact CE2-CB 3.68Å; Y202-F221 HydrophobicContact CE2-CD1 4.16Å; Y202-F221 AromaticContact CE2-CD2 3.87Å; Y202-F221 HydrophobicContact CE2-CD2 3.87Å; Y202-F221 AromaticContact CE2-CG 3.65Å; Y202-F221 HydrophobicContact CE2-CG 3.65Å; Y202-F221 HydrophobicContact CG-CD1 4.17Å; Y202-F221 HydrophobicContact CG-CG 4.45Å; E217-F221 WeakPolarHBondContact O-CB 3.49Å; E217-F221 PolarHBondContact O-N 3.47Å; A218-F221 WeakPolarHBondContact O-CB 3.22Å; A218-F221 PolarHBondContact O-N 3.35Å; A218-F221 VanDerWaalsContact O-N 3.13Å; F221-S223 VanDerWaalsContact C-N 3.31Å; F221-S223 PolarHBondContact O-N 2.89Å; F221-S224 PolarHBondContact O-N 2.81Å; F221-S224 VanDerWaalsContact O-N 3.1Å; F221-Y225 HydrophobicContact CD1-CD2 4.25Å; F221-Y225 AromaticContact CD2-CD2 3.71Å; F221-Y225 HydrophobicContact CD2-CD2 3.71Å; F221-Y225 AromaticContact CD2-CE2 3.65Å; F221-Y225 HydrophobicContact CD2-CE2 3.65Å; F221-Y225 HydrophobicContact CE1-CD2 4.21Å; F221-Y225 AromaticContact CE2-CD2 3.65Å; F221-Y225 HydrophobicContact CE2-CD2 3.65Å; F221-Y225 AromaticContact CE2-CE2 3.54Å; F221-Y225 HydrophobicContact CE2-CE2 3.54Å; F221-Y225 HydrophobicContact CG-CD2 4.03Å; F221-Y225 HydrophobicContact CG-CE2 4.4Å; F221-Y225 AromaticContact CZ-CD2 3.92Å; F221-Y225 HydrophobicContact CZ-CD2 3.92Å; F221-Y225 HydrophobicContact CZ-CE2 4.22Å; F221-Y225 WeakPolarHBondContact O-CD2 3.28Å; F221-Y225 PolarHBondContact O-N 3.3Å; F221-L238 HydrophobicContact CE2-CD1 4.34Å; F221-L238 HydrophobicContact CZ-CD1 3.64Å; F221-I241 HydrophobicContact CE2-CD1 4.43Å
222V78.2Confident74.5Confident28 Ų2861.2 Ų61.217%0.1734%0.337CS..Hα-helixtrans-62.7-39177.1176.30000111.8L198 Q199 A218 S224 Y225 S226L198-V222 HydrophobicContact CB-CG1 4.44Å; L198-V222 HydrophobicContact CB-CG2 3.71Å; L198-V222 HydrophobicContact CD1-CG1 4.4Å; Q199-V222 HydrophobicContact CB-CG2 4.48Å; A218-V222 PolarHBondContact O-N 3.44Å; V222-S224 VanDerWaalsContact C-N 3.29Å; V222-S224 PolarHBondContact O-N 2.85Å; V222-Y225 PolarHBondContact O-N 3.37Å; V222-S226 WeakPolarHBondContact O-CB 3.3Å; V222-S226 PolarHBondContact O-N 3.2Å
223S78.4Confident74Confident88 Ų8864.6 Ų64.662%0.61537%0.366SS*.Hα-helixtrans-66.2-30174.8-58.50000113D219 S220 F221 S226D219-S223 VanDerWaalsContact O-CB 3.28Å; D219-S223 WeakPolarHBondContact O-CB 3.45Å; D219-S223 PolarHBondContact O-N 3.04Å; D219-S223 PolarHBondContact O-OG 2.83Å; S220-S223 PolarHBondContact O-N 2.89Å; F221-S223 VanDerWaalsContact C-N 3.31Å; F221-S223 PolarHBondContact O-N 2.89Å; S223-S226 PolarHBondContact O-OG 3.26Å
224S75.8Confident73.3Confident64 Ų6466.3 Ų66.345%0.44838%0.375SS..Hα-helixtrans-79.6-28.4179.4-59.30000113.5S220 F221 V222S220-S224 WeakPolarHBondContact O-CB 3.45Å; S220-S224 PolarHBondContact O-N 3.49Å; S220-S224 PolarHBondContact O-OG 2.97Å; F221-S224 PolarHBondContact O-N 2.81Å; F221-S224 VanDerWaalsContact O-N 3.1Å; V222-S224 VanDerWaalsContact C-N 3.29Å; V222-S224 PolarHBondContact O-N 2.85Å
225Y71.9Confident72.6Confident6 Ų664.6 Ų64.62%0.02436%0.364CS..Hα-helixtrans-115.38-174.8-66.3-73.2000114.2S2 F221 V222 D227 V228 L234 E237 L238 I241 L491S2-Y225 PolarHBondContact OG-OH 2.71Å; F221-Y225 HydrophobicContact CD1-CD2 4.25Å; F221-Y225 AromaticContact CD2-CD2 3.71Å; F221-Y225 HydrophobicContact CD2-CD2 3.71Å; F221-Y225 AromaticContact CD2-CE2 3.65Å; F221-Y225 HydrophobicContact CD2-CE2 3.65Å; F221-Y225 HydrophobicContact CE1-CD2 4.21Å; F221-Y225 AromaticContact CE2-CD2 3.65Å; F221-Y225 HydrophobicContact CE2-CD2 3.65Å; F221-Y225 AromaticContact CE2-CE2 3.54Å; F221-Y225 HydrophobicContact CE2-CE2 3.54Å; F221-Y225 HydrophobicContact CG-CD2 4.03Å; F221-Y225 HydrophobicContact CG-CE2 4.4Å; F221-Y225 AromaticContact CZ-CD2 3.92Å; F221-Y225 HydrophobicContact CZ-CD2 3.92Å; F221-Y225 HydrophobicContact CZ-CE2 4.22Å; F221-Y225 WeakPolarHBondContact O-CD2 3.28Å; F221-Y225 PolarHBondContact O-N 3.3Å; V222-Y225 PolarHBondContact O-N 3.37Å; Y225-D227 VanDerWaalsContact C-N 3.33Å; Y225-D227 PolarHBondContact O-N 2.87Å; Y225-V228 HydrophobicContact CD1-CG2 3.84Å; Y225-V228 HydrophobicContact CG-CG2 4.38Å; Y225-V228 WeakPolarHBondContact O-CG2 3.45Å; Y225-V228 PolarHBondContact O-N 3.47Å; Y225-L234 HydrophobicContact CD1-CB 4.4Å; Y225-E237 PolarHBondContact OH-OE1 3.01Å; Y225-L238 HydrophobicContact CD1-CB 4.19Å; Y225-L238 HydrophobicContact CE1-CB 4.19Å; Y225-I241 HydrophobicContact CE2-CD1 4.32Å; Y225-I241 VanDerWaalsContact OH-CD1 3.31Å; Y225-I241 WeakPolarHBondContact OH-CD1 3.24Å; Y225-L491 WeakPolarHBondContact O-CD1 3.44Å
226S67.3Low72.3Confident40 Ų4064.3 Ų64.328%0.2836%0.364SS..G310 helixtrans-55.9-43.817452.10000113.3V222 S223 V228V222-S226 WeakPolarHBondContact O-CB 3.3Å; V222-S226 PolarHBondContact O-N 3.2Å; S223-S226 PolarHBondContact O-OG 3.26Å; S226-V228 VanDerWaalsContact C-N 3.34Å; S226-V228 PolarHBondContact O-N 3.47Å
227D64.4Low72.2Confident87 Ų8757.6 Ų57.647%0.46533%0.333SS..G310 helixtrans-8710.1-173.9-85.7-13.3000114.6Y225 R229 S230Y225-D227 VanDerWaalsContact C-N 3.33Å; Y225-D227 PolarHBondContact O-N 2.87Å; D227-R229 PolarHBondContact O-N 2.84Å; D227-S230 PolarHBondContact O-N 3.25Å; D227-S230 PolarHBondContact O-OG 3.03Å
228V61.9Low71.9Confident2 Ų254.7 Ų54.71%0.01232%0.319CS..G310 helixtrans-53.1-31.7-177.2172.30000112.7Y225 S226 S230 R231 L234 A235 F489Y225-V228 HydrophobicContact CD1-CG2 3.84Å; Y225-V228 HydrophobicContact CG-CG2 4.38Å; Y225-V228 WeakPolarHBondContact O-CG2 3.45Å; Y225-V228 PolarHBondContact O-N 3.47Å; S226-V228 VanDerWaalsContact C-N 3.34Å; S226-V228 PolarHBondContact O-N 3.47Å; V228-S230 PolarHBondContact O-N 3.01Å; V228-S230 VanDerWaalsContact O-N 3.12Å; V228-R231 CarbonylContact O-C 3.54Å; V228-R231 PolarHBondContact O-N 3.45Å; V228-R231 VanDerWaalsContact O-N 3.14Å; V228-L234 HydrophobicContact CG2-CB 3.73Å; V228-A235 HydrophobicContact CG1-CB 3.57Å; V228-F489 HydrophobicContact CB-CB 4.47Å; V228-F489 HydrophobicContact CG1-CB 3.81Å; V228-F489 HydrophobicContact CG1-CD2 4.35Å; V228-F489 WeakPolarHBondContact CG1-O 3.09Å
229R54Low71.7Confident129 Ų12959.7 Ų59.749%0.48734%0.342SS..G310 helixtrans-49.8-32.9170.8-75.3-172.9-81.1-154.7-8.3115.1D227 L491D227-R229 PolarHBondContact O-N 2.84Å; R229-L491 PolarHBondContact NH1-O 2.86Å; R229-L491 PolarHBondContact NH2-O 3.18Å
230S60.2Low71.6Confident77 Ų7756.9 Ų56.954%0.53833%0.331SS..G310 helixtrans-99.1-11.2-17669.70000113.8D227 V228D227-S230 PolarHBondContact O-N 3.25Å; D227-S230 PolarHBondContact O-OG 3.03Å; V228-S230 PolarHBondContact O-N 3.01Å; V228-S230 VanDerWaalsContact O-N 3.12Å
231R69.8Low71.7Confident141 Ų14153.1 Ų53.153%0.53231%0.305SS..  trans-138.593.2-169.6-67.7178.2-165.4172.79110.9V228 A233 L234 A235V228-R231 CarbonylContact O-C 3.54Å; V228-R231 PolarHBondContact O-N 3.45Å; V228-R231 VanDerWaalsContact O-N 3.14Å; R231-A233 PolarHBondContact O-N 2.88Å; R231-A233 VanDerWaalsContact O-N 3.08Å; R231-L234 HydrophobicContact CB-CB 4.4Å; R231-L234 HydrophobicContact CB-CD1 4.02Å; R231-L234 HydrophobicContact CB-CG 4.03Å; R231-L234 PolarHBondContact O-N 3.47Å; R231-A235 PolarHBondContact O-N 2.69Å
232P68.6Low71.7Confident82 Ų8253.3 Ų53.353%0.53231%0.306SS..Hα-helixtrans-61.4-21.6-179.324.2-34000113.6L234 A235 S236P232-L234 VanDerWaalsContact C-N 3.35Å; P232-L234 PolarHBondContact O-N 3Å; P232-A235 WeakPolarHBondContact O-CB 3.31Å; P232-A235 PolarHBondContact O-N 3.21Å; P232-S236 PolarHBondContact O-N 3.3Å
233A72.9Confident71.9Confident75 Ų7558.6 Ų58.662%0.6233%0.329SS*.Hα-helixtrans-62.1-38171.100000113.1R231 A235 E237R231-A233 PolarHBondContact O-N 2.88Å; R231-A233 VanDerWaalsContact O-N 3.08Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A233-E237 WeakPolarHBondContact O-CB 3.14Å; A233-E237 PolarHBondContact O-N 2.97Å
234L70.7Confident72.1Confident36 Ų3655.2 Ų55.219%0.18831%0.305CS..Hα-helixtrans-72.1-29.9175.4-63.9179.3000111.7Y225 V228 R231 P232 E237 L238Y225-L234 HydrophobicContact CD1-CB 4.4Å; V228-L234 HydrophobicContact CG2-CB 3.73Å; R231-L234 HydrophobicContact CB-CB 4.4Å; R231-L234 HydrophobicContact CB-CD1 4.02Å; R231-L234 HydrophobicContact CB-CG 4.03Å; R231-L234 PolarHBondContact O-N 3.47Å; P232-L234 VanDerWaalsContact C-N 3.35Å; P232-L234 PolarHBondContact O-N 3Å; L234-E237 PolarHBondContact O-N 3.1Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 PolarHBondContact O-N 3.28Å
235A67.7Low72.6Confident3 Ų352.2 Ų52.23%0.02528%0.284CS..Hα-helixtrans-64-48.7173.800000111.5V228 R231 P232 A233 E237 L238 Q239 G487 F489V228-A235 HydrophobicContact CG1-CB 3.57Å; R231-A235 PolarHBondContact O-N 2.69Å; P232-A235 WeakPolarHBondContact O-CB 3.31Å; P232-A235 PolarHBondContact O-N 3.21Å; A233-A235 VanDerWaalsContact C-N 3.33Å; A235-E237 VanDerWaalsContact C-N 3.34Å; A235-E237 PolarHBondContact O-N 3.09Å; A235-L238 PolarHBondContact O-N 3.09Å; A235-Q239 PolarHBondContact O-N 3.45Å; A235-G487 WeakPolarHBondContact CB-O 3.44Å; A235-F489 HydrophobicContact CB-CD2 4.32Å
236S72.5Confident73.4Confident66 Ų6653.3 Ų53.346%0.46229%0.29SS..Hα-helixtrans-64.1-36.8174.7-177.60000112.3P232 Q239 S240P232-S236 PolarHBondContact O-N 3.3Å; S236-Q239 PolarHBondContact O-N 3.04Å; S236-S240 PolarHBondContact O-N 3.39Å; S236-S240 PolarHBondContact O-OG 2.91Å
237E77.9Confident74.3Confident33 Ų3352.8 Ų52.815%0.15428%0.284CS..Hα-helixtrans-62.1-44.2173.6-159.7176.1146.400111.6M1 S2 L5 Y225 A233 L234 A235 S240 I241M1-E237 WeakPolarHBondContact CA-OE1 3.42Å; M1-E237 WeakPolarHBondContact CA-OE2 3.47Å; M1-E237 VanDerWaalsContact N-CD 3.28Å; M1-E237 PolarHBondContact N-OE1 3.32Å; M1-E237 PolarHBondContact N-OE2 2.68Å; S2-E237 WeakPolarHBondContact CB-OE1 3.36Å; S2-E237 PolarHBondContact N-OE1 3.19Å; S2-E237 PolarHBondContact OG-OE1 3.12Å; L5-E237 HydrophobicContact CD1-CG 3.32Å; L5-E237 HydrophobicContact CG-CG 4.26Å; Y225-E237 PolarHBondContact OH-OE1 3.01Å; A233-E237 WeakPolarHBondContact O-CB 3.14Å; A233-E237 PolarHBondContact O-N 2.97Å; L234-E237 PolarHBondContact O-N 3.1Å; A235-E237 VanDerWaalsContact C-N 3.34Å; A235-E237 PolarHBondContact O-N 3.09Å; E237-S240 PolarHBondContact O-N 3.4Å; E237-I241 WeakPolarHBondContact O-CG1 3.45Å; E237-I241 PolarHBondContact O-N 3.34Å; E237-I241 VanDerWaalsContact O-N 3.14Å
238L76.3Confident75.3Confident0 Ų052 Ų520%028%0.275CS..Hα-helixtrans-67.8-37.6176.2-179.954000112.6L198 F221 Y225 L234 A235 S240 I241 L242 F489L198-L238 HydrophobicContact CD2-CD2 4.09Å; F221-L238 HydrophobicContact CE2-CD1 4.34Å; F221-L238 HydrophobicContact CZ-CD1 3.64Å; Y225-L238 HydrophobicContact CD1-CB 4.19Å; Y225-L238 HydrophobicContact CE1-CB 4.19Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 PolarHBondContact O-N 3.28Å; A235-L238 PolarHBondContact O-N 3.09Å; L238-S240 VanDerWaalsContact C-N 3.32Å; L238-S240 PolarHBondContact O-N 2.99Å; L238-I241 WeakPolarHBondContact O-CB 3.47Å; L238-I241 PolarHBondContact O-N 3.49Å; L238-L242 HydrophobicContact CD1-CD1 4.22Å; L238-L242 HydrophobicContact CD1-CG 4.3Å; L238-L242 HydrophobicContact CG-CD1 4.21Å; L238-L242 WeakPolarHBondContact O-CG 3.44Å; L238-L242 PolarHBondContact O-N 3.06Å; L238-L242 VanDerWaalsContact O-N 3.13Å; L238-F489 HydrophobicContact CB-CD2 4.13Å; L238-F489 HydrophobicContact CB-CE2 3.98Å; L238-F489 HydrophobicContact CD2-CB 4.18Å; L238-F489 HydrophobicContact CD2-CD1 3.96Å; L238-F489 HydrophobicContact CD2-CD2 3.64Å; L238-F489 HydrophobicContact CD2-CE1 4.28Å; L238-F489 HydrophobicContact CD2-CE2 4Å; L238-F489 HydrophobicContact CD2-CG 3.65Å; L238-F489 HydrophobicContact CD2-CZ 4.31Å; L238-F489 HydrophobicContact CG-CD2 3.96Å; L238-F489 HydrophobicContact CG-CE1 4.39Å; L238-F489 HydrophobicContact CG-CE2 3.8Å; L238-F489 HydrophobicContact CG-CG 4.36Å; L238-F489 HydrophobicContact CG-CZ 4.04Å
239Q75Confident76.4Confident106 Ų10653.3 Ų53.350%0.49528%0.279SS..Hα-helixtrans-60.4-43.1173.1-173.1175.64.600111.2A235 S236 I241 L242 E243 F489A235-Q239 PolarHBondContact O-N 3.45Å; S236-Q239 PolarHBondContact O-N 3.04Å; Q239-I241 VanDerWaalsContact C-N 3.28Å; Q239-I241 PolarHBondContact O-N 2.94Å; Q239-L242 PolarHBondContact O-N 3.4Å; Q239-E243 PolarHBondContact O-N 2.65Å; Q239-F489 HydrophobicContact CB-CE2 4.38Å
240S79.1Confident77.7Confident50 Ų5048.7 Ų48.735%0.3527%0.265SS..Hα-helixtrans-66.3-25.9176.7-53.50000113.4S236 E237 L238S236-S240 PolarHBondContact O-N 3.39Å; S236-S240 PolarHBondContact O-OG 2.91Å; E237-S240 PolarHBondContact O-N 3.4Å; L238-S240 VanDerWaalsContact C-N 3.32Å; L238-S240 PolarHBondContact O-N 2.99Å
241I81.9Confident78.7Confident0 Ų045.7 Ų45.70%024%0.243CC..Hα-helixtrans-72.2-35.7171.2-71.6171.1000111.1I4 L5 I8 F213 F221 Y225 E237 L238 Q239 F245I4-I241 HydrophobicContact CG2-CD1 4.28Å; I4-I241 HydrophobicContact CG2-CG2 4.49Å; L5-I241 HydrophobicContact CD2-CG1 3.54Å; L5-I241 HydrophobicContact CG-CD1 4.18Å; L5-I241 HydrophobicContact CG-CG1 3.64Å; I8-I241 HydrophobicContact CD1-CB 4.26Å; I8-I241 HydrophobicContact CD1-CG1 4.19Å; I8-I241 HydrophobicContact CD1-CG2 3.9Å; F213-I241 HydrophobicContact CE1-CG2 4.05Å; F213-I241 HydrophobicContact CZ-CG2 4.02Å; F221-I241 HydrophobicContact CE2-CD1 4.43Å; Y225-I241 HydrophobicContact CE2-CD1 4.32Å; Y225-I241 VanDerWaalsContact OH-CD1 3.31Å; Y225-I241 WeakPolarHBondContact OH-CD1 3.24Å; E237-I241 WeakPolarHBondContact O-CG1 3.45Å; E237-I241 PolarHBondContact O-N 3.34Å; E237-I241 VanDerWaalsContact O-N 3.14Å; L238-I241 WeakPolarHBondContact O-CB 3.47Å; L238-I241 PolarHBondContact O-N 3.49Å; Q239-I241 VanDerWaalsContact C-N 3.28Å; Q239-I241 PolarHBondContact O-N 2.94Å; I241-F245 WeakPolarHBondContact O-CD2 3.44Å
242L81.1Confident78.9Confident7 Ų743.5 Ų43.54%0.03725%0.249CC..Hα-helixtrans-87.2-35.3-172.9-67.6171.4000113.9L201 L205 L238 Q239 P244 F245 L246 F489L201-L242 HydrophobicContact CD1-CD2 3.93Å; L201-L242 HydrophobicContact CD2-CD1 4.15Å; L201-L242 HydrophobicContact CD2-CD2 4.23Å; L201-L242 HydrophobicContact CG-CD2 4.32Å; L205-L242 HydrophobicContact CD1-CD2 3.88Å; L205-L242 HydrophobicContact CD2-CD2 4.06Å; L205-L242 HydrophobicContact CG-CD2 4.39Å; L238-L242 HydrophobicContact CD1-CD1 4.22Å; L238-L242 HydrophobicContact CD1-CG 4.3Å; L238-L242 HydrophobicContact CG-CD1 4.21Å; L238-L242 WeakPolarHBondContact O-CG 3.44Å; L238-L242 PolarHBondContact O-N 3.06Å; L238-L242 VanDerWaalsContact O-N 3.13Å; Q239-L242 PolarHBondContact O-N 3.4Å; L242-P244 VanDerWaalsContact C-CD 3.47Å; L242-F245 CarbonylContact O-C 3.52Å; L242-F245 PolarHBondContact O-N 3.27Å; L242-L246 HydrophobicContact CB-CB 4.46Å; L242-L246 HydrophobicContact CB-CD2 4.49Å; L242-L246 PolarHBondContact O-N 3.45Å; L242-F489 HydrophobicContact CD1-CE1 3.75Å; L242-F489 HydrophobicContact CD1-CZ 3.6Å
243E81.7Confident79.2Confident138 Ų13844.9 Ų44.965%0.64525%0.248SC*.THydrogen-bonded Turntrans-43.7-46.5-178.1-177178.3-171.800115.4Q239 F245Q239-E243 PolarHBondContact O-N 2.65Å; E243-F245 VanDerWaalsContact C-N 3.29Å; E243-F245 PolarHBondContact O-N 3.11Å
244P83.7Confident79.4Confident18 Ų1842.5 Ų42.512%0.11723%0.226CC..THydrogen-bonded Turntrans-69.7-21.8177.826-34.7000114.2I8 I12 K15 L242I8-P244 HydrophobicContact CG2-CG 4.42Å; I12-P244 HydrophobicContact CD1-CB 3.79Å; I12-P244 HydrophobicContact CD1-CG 3.89Å; I12-P244 HydrophobicContact CG2-CB 4.27Å; K15-P244 PolarHBondContact NZ-O 3.44Å; L242-P244 VanDerWaalsContact C-CD 3.47Å
245F86.5Confident79Confident0 Ų041.1 Ų41.10%022%0.22CC..THydrogen-bonded Turntrans-107.8-20.5-174.4-56.2-69.2000114.4I8 I12 Q54 I57 L205 Q209 I212 F213 I241 L242 E243I8-F245 HydrophobicContact CD1-CE2 4.13Å; I8-F245 HydrophobicContact CG1-CE2 4.29Å; I12-F245 HydrophobicContact CD1-CE1 3.99Å; I12-F245 HydrophobicContact CD1-CE2 4.05Å; I12-F245 HydrophobicContact CD1-CZ 3.47Å; I12-F245 VanDerWaalsContact CD1-CZ 3.47Å; Q54-F245 HydrophobicContact CB-CE1 4.46Å; I57-F245 PolarHBondContact N-O 2.92Å; L205-F245 HydrophobicContact CD2-CB 4.28Å; L205-F245 HydrophobicContact CD2-CD2 4.33Å; L205-F245 HydrophobicContact CD2-CG 4.49Å; Q209-F245 HydrophobicContact CB-CE1 4.37Å; I212-F245 HydrophobicContact CD1-CZ 4.07Å; F213-F245 HydrophobicContact CE2-CD2 4.13Å; F213-F245 AromaticContact CE2-CE2 3.62Å; F213-F245 HydrophobicContact CE2-CE2 3.62Å; F213-F245 AromaticContact CE2-CZ 3.94Å; F213-F245 HydrophobicContact CE2-CZ 3.94Å; F213-F245 HydrophobicContact CZ-CD2 4.28Å; F213-F245 AromaticContact CZ-CE2 3.81Å; F213-F245 HydrophobicContact CZ-CE2 3.81Å; I241-F245 WeakPolarHBondContact O-CD2 3.44Å; L242-F245 CarbonylContact O-C 3.52Å; L242-F245 PolarHBondContact O-N 3.27Å; E243-F245 VanDerWaalsContact C-N 3.29Å; E243-F245 PolarHBondContact O-N 3.11Å
246L87.3Confident78.8Confident30 Ų3049.1 Ų49.116%0.15725%0.254CS..EExtended strand (participates in β ladder)trans-121.7109.8-172.6172.962.2000111.3I57 P193 L242 R248I57-L246 HydrophobicContact CB-CB 4.45Å; I57-L246 HydrophobicContact CB-CD1 3.7Å; I57-L246 HydrophobicContact CG1-CD1 4.44Å; I57-L246 HydrophobicContact CG2-CD1 3.76Å; P193-L246 HydrophobicContact CB-CD1 3.94Å; P193-L246 HydrophobicContact CG-CD1 4.13Å; L242-L246 HydrophobicContact CB-CB 4.46Å; L242-L246 HydrophobicContact CB-CD2 4.49Å; L242-L246 PolarHBondContact O-N 3.45Å; L246-R248 HydrophobicContact CD1-CB 4.47Å
247L87.8Confident78.5Confident28 Ų2851.4 Ų51.415%0.14726%0.262CS..EExtended strand (participates in β ladder)trans-95.8117.5166.818060000109.6W45 I57 L58 G59 D60W45-L247 HydrophobicContact CB-CD2 4.26Å; W45-L247 HydrophobicContact CD2-CB 3.94Å; W45-L247 HydrophobicContact CD2-CD2 4.02Å; W45-L247 HydrophobicContact CD2-CG 4.5Å; W45-L247 HydrophobicContact CE3-CB 3.77Å; W45-L247 HydrophobicContact CE3-CD2 3.85Å; W45-L247 HydrophobicContact CE3-CG 4.45Å; W45-L247 HydrophobicContact CG-CD2 4.22Å; W45-L247 HydrophobicContact CH2-CB 3.74Å; W45-L247 HydrophobicContact CZ2-CB 3.89Å; W45-L247 HydrophobicContact CZ3-CB 3.66Å; W45-L247 HydrophobicContact CZ3-CD2 4.48Å; I57-L247 PolarHBondContact O-N 3.34Å; L58-L247 HydrophobicContact CD1-CB 4.17Å; L58-L247 HydrophobicContact CD1-CD2 3.89Å; L58-L247 HydrophobicContact CD1-CG 4.12Å; G59-L247 WeakPolarHBondContact CA-O 3.38Å; G59-L247 PolarHBondContact N-O 3.27Å; D60-L247 PolarHBondContact N-O 3.03Å
248R85.4Confident78.3Confident72 Ų7250.9 Ų50.927%0.27226%0.259SS..  trans-135.5135.7176.7172.3171.1-175.41586.2110.7G59 L246G59-R248 WeakPolarHBondContact O-CG 3.43Å; L246-R248 HydrophobicContact CD1-CB 4.47Å
249R85.4Confident78.3Confident28 Ų2852.2 Ų52.211%0.10627%0.268CS..  trans-140.6152.9174.1-66.6160.3-66-166.410.5110.1Y38 D60 E61 L64 E253 V254Y38-R249 PolarHBondContact O-NH1 3.26Å; D60-R249 VanDerWaalsContact CG-NH2 3.31Å; D60-R249 IonicContact OD1-CZ 3.8Å; D60-R249 PolarHBondContact OD1-N 3.41Å; D60-R249 IonicContact OD1-NE 3.75Å; D60-R249 PolarHBondContact OD1-NE 2.83Å; D60-R249 IonicContact OD1-NH2 2.61Å; D60-R249 PolarHBondContact OD1-NH2 2.86Å; D60-R249 VanDerWaalsContact OD1-NH2 3.08Å; D60-R249 IonicContact OD2-CZ 3.73Å; D60-R249 IonicContact OD2-NE 3.43Å; D60-R249 IonicContact OD2-NH2 2.62Å; D60-R249 PolarHBondContact OD2-NH2 3.01Å; E61-R249 PolarHBondContact N-O 3.18Å; L64-R249 WeakPolarHBondContact CD1-O 3.4Å; R249-E253 WeakPolarHBondContact CA-OE2 3.39Å; R249-V254 HydrophobicContact CB-CG1 4.15Å; R249-V254 HydrophobicContact CG-CG1 4.43Å
250V81.3Confident78.4Confident32 Ų3253.3 Ų53.319%0.19427%0.271CS..  trans-112156.5177.9-650000112.2S252 E253V250-S252 VanDerWaalsContact C-N 3.25Å; V250-S252 WeakPolarHBondContact CG2-OG 3.46Å; V250-S252 PolarHBondContact O-N 2.85Å; V250-E253 VanDerWaalsContact CG2-CD 3.48Å; V250-E253 HydrophobicContact CG2-CG 3.7Å; V250-E253 PolarHBondContact N-OE2 3.14Å; V250-E253 WeakPolarHBondContact O-CB 3.03Å; V250-E253 PolarHBondContact O-N 2.87Å; V250-E253 VanDerWaalsContact O-N 3.08Å
251K79.2Confident78.6Confident14 Ų1455.7 Ų55.76%0.06128%0.275CS..Hα-helixtrans-57.9-34.4-175.2-78.4166.1-173.3150.50114E61 M62 L64 E253 V254 A255 L258 H446E61-K251 VanDerWaalsContact OE1-CD 3.23Å; E61-K251 WeakPolarHBondContact OE1-CD 3.13Å; E61-K251 WeakPolarHBondContact OE1-CE 3.23Å; E61-K251 IonicContact OE1-NZ 3.94Å; E61-K251 PolarHBondContact OE1-NZ 3.22Å; E61-K251 WeakPolarHBondContact OE2-CB 3.22Å; E61-K251 WeakPolarHBondContact OE2-CD 3.49Å; E61-K251 VanDerWaalsContact OE2-CG 3.23Å; E61-K251 WeakPolarHBondContact OE2-CG 3.31Å; E61-K251 PolarHBondContact OE2-N 3.47Å; M62-K251 WeakPolarHBondContact O-CE 3.43Å; M62-K251 PolarHBondContact O-NZ 2.8Å; L64-K251 HydrophobicContact CD2-CG 3.74Å; L64-K251 HydrophobicContact CG-CG 4.32Å; K251-E253 PolarHBondContact O-N 2.83Å; K251-V254 PolarHBondContact O-N 3.31Å; K251-A255 HydrophobicContact CB-CB 4.41Å; K251-A255 WeakPolarHBondContact O-CA 3.41Å; K251-A255 WeakPolarHBondContact O-CB 3.37Å; K251-A255 PolarHBondContact O-N 3.11Å; K251-L258 HydrophobicContact CD-CD2 3.78Å; K251-L258 HydrophobicContact CG-CD2 4.21Å; K251-H446 VanDerWaalsContact CD-CE1 3.48Å; K251-H446 WeakPolarHBondContact CD-CE1 3.47Å; K251-H446 PolarHBondContact NZ-O 2.86Å
252S75Confident78.6Confident95 Ų9558.6 Ų58.666%0.66429%0.293SS*.Hα-helixtrans-62-27.6177.736.10000113.6V250V250-S252 VanDerWaalsContact C-N 3.25Å; V250-S252 WeakPolarHBondContact CG2-OG 3.46Å; V250-S252 PolarHBondContact O-N 2.85Å
253E75.6Confident78.8Confident111 Ų11162.2 Ų62.252%0.51931%0.31SS..Hα-helixtrans-82.1-33.4178.5-64.4163.7157.600112.8R249 V250 K251 F256R249-E253 WeakPolarHBondContact CA-OE2 3.39Å; V250-E253 VanDerWaalsContact CG2-CD 3.48Å; V250-E253 HydrophobicContact CG2-CG 3.7Å; V250-E253 PolarHBondContact N-OE2 3.14Å; V250-E253 WeakPolarHBondContact O-CB 3.03Å; V250-E253 PolarHBondContact O-N 2.87Å; V250-E253 VanDerWaalsContact O-N 3.08Å; K251-E253 PolarHBondContact O-N 2.83Å; E253-F256 WeakPolarHBondContact O-CE2 3.41Å
254V75.9Confident78.9Confident26 Ų2658.1 Ų58.116%0.15829%0.292CS..Hα-helixtrans-127.4-6.1-161.3-56.10000116Y38 L64 R249 K251Y38-V254 HydrophobicContact CD1-CB 3.55Å; Y38-V254 HydrophobicContact CD1-CG1 4.27Å; Y38-V254 HydrophobicContact CD1-CG2 3.95Å; Y38-V254 HydrophobicContact CD2-CB 4.38Å; Y38-V254 HydrophobicContact CD2-CG2 4.29Å; Y38-V254 HydrophobicContact CE1-CB 3.94Å; Y38-V254 HydrophobicContact CE1-CG2 3.85Å; Y38-V254 HydrophobicContact CE2-CG2 4.25Å; Y38-V254 HydrophobicContact CG-CB 3.79Å; Y38-V254 HydrophobicContact CG-CG1 4.01Å; Y38-V254 HydrophobicContact CG-CG2 4.16Å; L64-V254 HydrophobicContact CD1-CG2 3.86Å; L64-V254 HydrophobicContact CD2-CG2 3.62Å; L64-V254 HydrophobicContact CG-CG2 4.38Å; R249-V254 HydrophobicContact CB-CG1 4.15Å; R249-V254 HydrophobicContact CG-CG1 4.43Å; K251-V254 PolarHBondContact O-N 3.31Å
255A62.4Low78.9Confident7 Ų759.3 Ų59.36%0.05830%0.299CS..  trans-132.449.8-170.200000113L64 K251 D257 L258L64-A255 HydrophobicContact CD2-CB 4.35Å; K251-A255 HydrophobicContact CB-CB 4.41Å; K251-A255 WeakPolarHBondContact O-CA 3.41Å; K251-A255 WeakPolarHBondContact O-CB 3.37Å; K251-A255 PolarHBondContact O-N 3.11Å; A255-D257 PolarHBondContact O-N 3.48Å; A255-L258 HydrophobicContact CB-CB 4.05Å; A255-L258 VanDerWaalsContact O-CB 3.25Å; A255-L258 WeakPolarHBondContact O-CB 3.24Å; A255-L258 PolarHBondContact O-N 3.07Å
256F63.6Low78.8Confident170 Ų17059.5 Ų59.575%0.74630%0.301SS*.THydrogen-bonded Turntrans-52.9-32.8175.5-60.4-77.4000114E253 L258E253-F256 WeakPolarHBondContact O-CE2 3.41Å; F256-L258 PolarHBondContact O-N 2.75Å
257D67.4Low78.5Confident115 Ų11562.1 Ų62.162%0.61531%0.309SS*.THydrogen-bonded Turntrans-73.8-9.5176.6-19.5-52.6000114.2R36 A255R36-D257 IonicContact CZ-OD2 3.56Å; R36-D257 IonicContact NH1-OD2 3.66Å; R36-D257 PolarHBondContact NH1-OD2 2.92Å; R36-D257 IonicContact NH2-OD2 3.48Å; R36-D257 PolarHBondContact NH2-OD2 3Å; A255-D257 PolarHBondContact O-N 3.48Å
258L72.7Confident78.3Confident21 Ų2161.3 Ų61.311%0.1130%0.304CS..SBendtrans-82.4123.1-177.8-172.569.7000109.4K251 A255 F256 K260 H446 Q450K251-L258 HydrophobicContact CD-CD2 3.78Å; K251-L258 HydrophobicContact CG-CD2 4.21Å; A255-L258 HydrophobicContact CB-CB 4.05Å; A255-L258 VanDerWaalsContact O-CB 3.25Å; A255-L258 WeakPolarHBondContact O-CB 3.24Å; A255-L258 PolarHBondContact O-N 3.07Å; F256-L258 PolarHBondContact O-N 2.75Å; L258-K260 PolarHBondContact O-N 2.86Å; L258-H446 VanDerWaalsContact CD2-CE1 3.46Å; L258-H446 WeakPolarHBondContact CD2-CE1 2.98Å; L258-Q450 HydrophobicContact CD1-CB 4.38Å
259P76.8Confident78.1Confident29 Ų2958.2 Ų58.219%0.18830%0.295CS..PPolyproline II helixtrans-52.3136.1-178-30.337.1000113.4K261 H446 P453P259-K261 PolarHBondContact O-N 3.09Å; P259-H446 PolarHBondContact O-NE2 3.44Å; P259-P453 HydrophobicContact CB-CB 4.3Å
260K76.5Confident77.9Confident128 Ų12857 Ų5756%0.55729%0.29SS*.PPolyproline II helixtrans-49.7126.3175.9-76.5-177.8176.8172.30108.9L258 E545L258-K260 PolarHBondContact O-N 2.86Å; K260-E545 VanDerWaalsContact NZ-CD 3.35Å; K260-E545 IonicContact NZ-OE1 2.77Å; K260-E545 PolarHBondContact NZ-OE1 2.85Å; K260-E545 IonicContact NZ-OE2 3.83Å; K260-E545 PolarHBondContact NZ-OE2 2.66Å
261K83.6Confident78.1Confident100 Ų10055.7 Ų55.744%0.43528%0.283SS..PPolyproline II helixtrans-79.2143.1168.461.7166.7-173.61610109.3P259 H446 V454P259-K261 PolarHBondContact O-N 3.09Å; K261-H446 PolarHBondContact N-NE2 3.41Å; K261-V454 WeakPolarHBondContact CA-O 3.42Å
262T82.6Confident78.4Confident62 Ų6257.4 Ų57.438%0.3830%0.299SS..EExtended strand (participates in β ladder)trans-119.9141.516950.50000109.6V454 V456T262-V454 PolarHBondContact N-O 3.44Å; T262-V456 PolarHBondContact O-N 3.13Å
263E83.9Confident78.9Confident82 Ų8255.6 Ų55.638%0.38328%0.282SS..EExtended strand (participates in β ladder)trans-127.2120.2-180-173.1158.7-169.500108.4V456 R458E263-V456 CarbonylContact C-O 3.41Å; E263-V456 WeakPolarHBondContact CA-O 3.45Å; E263-V456 HydrophobicContact CB-CB 4.25Å; E263-V456 HydrophobicContact CG-CB 4.09Å; E263-V456 HydrophobicContact CG-CG1 4.04Å; E263-R458 IonicContact OE1-CZ 2.82Å; E263-R458 VanDerWaalsContact OE1-CZ 3.28Å; E263-R458 IonicContact OE1-NE 3.98Å; E263-R458 PolarHBondContact OE1-NE 2.84Å; E263-R458 IonicContact OE1-NH2 2.99Å; E263-R458 PolarHBondContact OE1-NH2 3.41Å
264L83.9Confident79.5Confident52 Ų5250.3 Ų50.327%0.27226%0.257SS..EExtended strand (participates in β ladder)trans-119.6137.3-179.5-65-173.4000110.7V456 I457 R458 I531 L532L264-V456 PolarHBondContact N-O 3.13Å; L264-I457 CarbonylContact O-C 3.58Å; L264-I457 WeakPolarHBondContact O-CA 3.42Å; L264-R458 PolarHBondContact O-N 3.1Å; L264-I531 VanDerWaalsContact CD1-O 3.25Å; L264-I531 WeakPolarHBondContact CD1-O 3.5Å; L264-L532 HydrophobicContact CD1-CD2 4.34Å
265V84.2Confident79.9Confident43 Ų4349.8 Ų49.826%0.26125%0.253SS..EExtended strand (participates in β ladder)trans-99.8122.6169.1-176.30000107.9Y267 L460 Y470V265-Y267 HydrophobicContact CB-CE2 4.22Å; V265-Y267 HydrophobicContact CG1-CD2 3.99Å; V265-Y267 HydrophobicContact CG1-CE2 3.55Å; V265-L460 HydrophobicContact CG1-CD1 3.49Å; V265-L460 VanDerWaalsContact CG1-CD1 3.49Å; V265-L460 HydrophobicContact CG1-CG 4.1Å; V265-Y470 HydrophobicContact CG2-CE1 3.65Å; V265-Y470 WeakPolarHBondContact CG2-OH 3.3Å
266V83.4Confident81Confident5 Ų556.6 Ų56.63%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-114.8106.8-179.5-169.70000108.9L339 I457 R458 L459 L460V266-L339 HydrophobicContact CB-CD2 4.29Å; V266-L339 HydrophobicContact CG1-CD1 4.21Å; V266-L339 HydrophobicContact CG1-CD2 3.62Å; V266-L339 HydrophobicContact CG1-CG 4.48Å; V266-I457 HydrophobicContact CG2-CG2 3.85Å; V266-R458 PolarHBondContact N-O 3.29Å; V266-L459 HydrophobicContact CB-CD2 4.41Å; V266-L460 PolarHBondContact O-N 3.03Å
267Y82.4Confident82Confident85 Ų8551.9 Ų51.933%0.33326%0.259SS..EExtended strand (participates in β ladder)trans-81.3126.3-178.2-72.7-88.8000111.9V265 L460 R462 E467V265-Y267 HydrophobicContact CB-CE2 4.22Å; V265-Y267 HydrophobicContact CG1-CD2 3.99Å; V265-Y267 HydrophobicContact CG1-CE2 3.55Å; Y267-L460 CarbonylContact C-O 3.56Å; Y267-L460 WeakPolarHBondContact CA-O 3.39Å; Y267-L460 HydrophobicContact CD1-CB 4.45Å; Y267-L460 HydrophobicContact CE1-CD1 4.49Å; Y267-R462 HydrophobicContact CD1-CG 3.93Å; Y267-R462 HydrophobicContact CG-CG 4.28Å; Y267-E467 HydrophobicContact CE1-CG 4.13Å; Y267-E467 WeakPolarHBondContact CE1-OE1 3.45Å
268H83.8Confident82.9Confident10 Ų1046.7 Ų46.75%0.04623%0.231CC..EExtended strand (participates in β ladder)trans-115.1162.7174.466.190.5000113.1K336 L339 L460 A461 R462H268-K336 WeakPolarHBondContact NE2-CE 2.62Å; H268-L339 HydrophobicContact CB-CB 4.37Å; H268-L339 HydrophobicContact CB-CD2 3.8Å; H268-L460 VanDerWaalsContact CD2-C 3.47Å; H268-L460 PolarHBondContact CD2-O 2.72Å; H268-L460 PolarHBondContact N-O 2.87Å; H268-A461 WeakPolarHBondContact O-CA 3.47Å; H268-R462 PolarHBondContact O-N 3.13Å
269G80.3Confident83.4Confident7 Ų748.6 Ų48.67%0.07224%0.238CC..  trans-85.3175.7167.800000112.7S522G269-S522 WeakPolarHBondContact CA-O 3.47Å; G269-S522 WeakPolarHBondContact CA-OG 3.44Å
270M81.3Confident83.6Confident2 Ų249.7 Ų49.71%0.0125%0.249CC..  trans-103.9146175.5-66.1176.574.300110Q274 K275 Y278 V310 A461 T464 L515 S522M270-Q274 HydrophobicContact CB-CB 4.09Å; M270-Q274 HydrophobicContact CE-CB 3.77Å; M270-K275 HydrophobicContact CB-CG 4.05Å; M270-Y278 HydrophobicContact CE-CD2 3.76Å; M270-Y278 HydrophobicContact CE-CE2 4.49Å; M270-Y278 HydrophobicContact CE-CG 3.99Å; M270-V310 HydrophobicContact CE-CG2 4.16Å; M270-A461 HydrophobicContact CG-CB 4.31Å; M270-T464 HydrophobicContact CG-CG2 4.41Å; M270-T464 HydrophobicContact SD-CG2 3.55Å; M270-T464 VanDerWaalsContact SD-CG2 3.55Å; M270-L515 HydrophobicContact SD-CD2 3.8Å; M270-S522 PolarHBondContact N-OG 2.81Å; M270-S522 PolarHBondContact O-N 2.88Å; M270-S522 VanDerWaalsContact O-N 3.08Å
271S86.4Confident84Confident5 Ų544.5 Ų44.54%0.03523%0.228CC..  trans-67.5161.4168.981.40000110.8L273 Q274 K275 A333S271-L273 PolarHBondContact O-N 2.96Å; S271-L273 PolarHBondContact OG-N 2.83Å; S271-Q274 PolarHBondContact O-N 2.61Å; S271-Q274 WeakPolarHBondContact OG-CG 3.45Å; S271-Q274 PolarHBondContact OG-N 3.31Å; S271-K275 PolarHBondContact O-N 3.18Å; S271-A333 WeakPolarHBondContact CB-O 3.28Å; S271-A333 PolarHBondContact OG-O 3.19Å
272A84.7Confident83.8Confident50 Ų5040.4 Ų40.441%0.41321%0.21SC..Hα-helixtrans-61.1-32.7174.500000111.9K276A272-K276 WeakPolarHBondContact O-CB 3.44Å; A272-K276 PolarHBondContact O-N 2.86Å; A272-K276 VanDerWaalsContact O-N 3.08Å
273L84.8Confident83.4Confident57 Ų5740.1 Ų40.130%0.29821%0.206SC..Hα-helixtrans-65.5-48.5174.5-167.364.3000110.8S271 K275 K276 Y277 P313 Y314 V319 A333S271-L273 PolarHBondContact O-N 2.96Å; S271-L273 PolarHBondContact OG-N 2.83Å; L273-K275 PolarHBondContact O-N 2.79Å; L273-K276 WeakPolarHBondContact O-CB 3.39Å; L273-K276 PolarHBondContact O-N 3.01Å; L273-Y277 HydrophobicContact CD1-CD2 4.08Å; L273-Y277 HydrophobicContact CD1-CE2 3.72Å; L273-Y277 HydrophobicContact CG-CD2 4.19Å; L273-Y277 HydrophobicContact CG-CE2 4.21Å; L273-Y277 WeakPolarHBondContact O-CD2 3.13Å; L273-Y277 PolarHBondContact O-N 2.79Å; L273-P313 HydrophobicContact CB-CG 4.5Å; L273-P313 HydrophobicContact CD2-CB 3.8Å; L273-P313 HydrophobicContact CD2-CG 3.94Å; L273-P313 HydrophobicContact CG-CB 4.18Å; L273-P313 HydrophobicContact CG-CG 4.16Å; L273-Y314 HydrophobicContact CD2-CE1 4.46Å; L273-V319 HydrophobicContact CD2-CG1 4.4Å; L273-A333 HydrophobicContact CD2-CB 4.31Å
274Q88Confident82.8Confident0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-59.5-45.9176.4-69.3180-66.200111.9M270 S271 K276 Y277 Y278 C309 V310 P313 S334M270-Q274 HydrophobicContact CB-CB 4.09Å; M270-Q274 HydrophobicContact CE-CB 3.77Å; S271-Q274 PolarHBondContact O-N 2.61Å; S271-Q274 WeakPolarHBondContact OG-CG 3.45Å; S271-Q274 PolarHBondContact OG-N 3.31Å; Q274-K276 VanDerWaalsContact C-N 3.33Å; Q274-K276 PolarHBondContact O-N 3.32Å; Q274-Y277 PolarHBondContact O-N 2.87Å; Q274-Y278 VanDerWaalsContact O-CB 3.28Å; Q274-Y278 WeakPolarHBondContact O-CB 3.31Å; Q274-Y278 PolarHBondContact O-N 3.16Å; Q274-C309 WeakPolarHBondContact CG-O 2.99Å; Q274-C309 PolarHBondContact NE2-O 2.83Å; Q274-C309 PolarHBondContact O-SG 3.04Å; Q274-V310 PolarHBondContact NE2-O 2.72Å; Q274-P313 HydrophobicContact CG-CG 3.63Å; Q274-S334 PolarHBondContact NE2-OG 2.92Å
275K85.8Confident81.9Confident16 Ų1645.4 Ų45.47%0.0722%0.221CC..Hα-helixtrans-55.9-46.4175.1-77.1-174.3167.1-172.60112M270 S271 L273 Y278 K279 S518 E520M270-K275 HydrophobicContact CB-CG 4.05Å; S271-K275 PolarHBondContact O-N 3.18Å; L273-K275 PolarHBondContact O-N 2.79Å; K275-Y278 PolarHBondContact O-N 3.33Å; K275-K279 WeakPolarHBondContact O-CB 3.43Å; K275-K279 PolarHBondContact O-N 3.39Å; K275-S518 WeakPolarHBondContact CD-O 3.22Å; K275-S518 PolarHBondContact NZ-O 2.97Å; K275-S518 PolarHBondContact NZ-OG 2.91Å; K275-E520 WeakPolarHBondContact CE-O 3.43Å; K275-E520 PolarHBondContact NZ-O 2.83Å
276K84.7Confident80.9Confident149 Ų14946.9 Ų46.965%0.64822%0.222SC*.Hα-helixtrans-59.8-47178.7-173.5-175.6178.7-172.40112.2A272 L273 Q274 A280A272-K276 WeakPolarHBondContact O-CB 3.44Å; A272-K276 PolarHBondContact O-N 2.86Å; A272-K276 VanDerWaalsContact O-N 3.08Å; L273-K276 WeakPolarHBondContact O-CB 3.39Å; L273-K276 PolarHBondContact O-N 3.01Å; Q274-K276 VanDerWaalsContact C-N 3.33Å; Q274-K276 PolarHBondContact O-N 3.32Å; K276-A280 WeakPolarHBondContact O-CB 3.32Å; K276-A280 PolarHBondContact O-N 2.82Å; K276-A280 VanDerWaalsContact O-N 3.1Å
277Y85.8Confident79.8Confident71 Ų7151 Ų5128%0.27824%0.244SC..Hα-helixtrans-70.8-38178.9-83.2-88.4000112.5L273 Q274 K279 A280 I281 C309 F316 V319L273-Y277 HydrophobicContact CD1-CD2 4.08Å; L273-Y277 HydrophobicContact CD1-CE2 3.72Å; L273-Y277 HydrophobicContact CG-CD2 4.19Å; L273-Y277 HydrophobicContact CG-CE2 4.21Å; L273-Y277 WeakPolarHBondContact O-CD2 3.13Å; L273-Y277 PolarHBondContact O-N 2.79Å; Q274-Y277 PolarHBondContact O-N 2.87Å; Y277-K279 PolarHBondContact O-N 3.42Å; Y277-A280 PolarHBondContact O-N 2.88Å; Y277-I281 WeakPolarHBondContact O-CD1 3.28Å; Y277-I281 WeakPolarHBondContact O-CG1 3.17Å; Y277-I281 PolarHBondContact O-N 2.91Å; Y277-C309 VanDerWaalsContact CB-SG 3.55Å; Y277-F316 HydrophobicContact CD1-CD2 4.49Å; Y277-V319 HydrophobicContact CD1-CG2 4.47Å; Y277-V319 HydrophobicContact CD2-CG1 4.34Å; Y277-V319 HydrophobicContact CE1-CG1 4.32Å; Y277-V319 HydrophobicContact CE1-CG2 3.57Å; Y277-V319 HydrophobicContact CE2-CG1 3.62Å; Y277-V319 HydrophobicContact CE2-CG2 4.36Å; Y277-V319 WeakPolarHBondContact OH-CG2 3.34Å
278Y85.4Confident78.7Confident7 Ų747.1 Ų47.13%0.02723%0.23CC..Hα-helixtrans-60.9-45.4176.5-163.5-84.4000111.4M270 Q274 K275 I281 L282 L306 C309 V310 V465 L515M270-Y278 HydrophobicContact CE-CD2 3.76Å; M270-Y278 HydrophobicContact CE-CE2 4.49Å; M270-Y278 HydrophobicContact CE-CG 3.99Å; Q274-Y278 VanDerWaalsContact O-CB 3.28Å; Q274-Y278 WeakPolarHBondContact O-CB 3.31Å; Q274-Y278 PolarHBondContact O-N 3.16Å; K275-Y278 PolarHBondContact O-N 3.33Å; Y278-I281 PolarHBondContact O-N 3.14Å; Y278-L282 HydrophobicContact CD1-CD1 3.92Å; Y278-L282 HydrophobicContact CE1-CD1 3.85Å; Y278-L282 PolarHBondContact O-N 2.92Å; Y278-L282 VanDerWaalsContact O-N 3.15Å; Y278-L306 HydrophobicContact CD1-CD2 4.09Å; Y278-L306 HydrophobicContact CD2-CB 4.33Å; Y278-L306 HydrophobicContact CD2-CD2 3.7Å; Y278-L306 HydrophobicContact CE1-CD2 4.21Å; Y278-L306 HydrophobicContact CE2-CB 3.91Å; Y278-L306 HydrophobicContact CE2-CD2 3.84Å; Y278-L306 HydrophobicContact CE2-CG 4.3Å; Y278-L306 HydrophobicContact CG-CD2 3.86Å; Y278-C309 HydrophobicContact CD2-CB 4.46Å; Y278-C309 PolarHBondContact N-SG 3.34Å; Y278-C309 VanDerWaalsContact N-SG 3.36Å; Y278-V310 HydrophobicContact CD2-CG2 4.02Å; Y278-V310 HydrophobicContact CE2-CG2 3.79Å; Y278-V465 PolarHBondContact OH-N 3.29Å; Y278-L515 HydrophobicContact CD1-CD1 3.8Å; Y278-L515 HydrophobicContact CE1-CD1 3.39Å
279K82.7Confident77.5Confident61 Ų6147.8 Ų47.827%0.26523%0.233SC..Hα-helixtrans-57.3-48.1172.1-173.9175.8-165.7164.90111.8K275 Y277 I281 L282 M283 L516 D519K275-K279 WeakPolarHBondContact O-CB 3.43Å; K275-K279 PolarHBondContact O-N 3.39Å; Y277-K279 PolarHBondContact O-N 3.42Å; K279-I281 PolarHBondContact O-N 3.21Å; K279-L282 PolarHBondContact O-N 3.36Å; K279-M283 HydrophobicContact CG-CE 4.03Å; K279-M283 HydrophobicContact CG-SD 3.92Å; K279-M283 WeakPolarHBondContact O-CG 3.05Å; K279-M283 PolarHBondContact O-N 3.36Å; K279-M283 VanDerWaalsContact O-N 3.08Å; K279-L516 HydrophobicContact CB-CD2 3.92Å; K279-L516 HydrophobicContact CD-CD2 3.54Å; K279-L516 HydrophobicContact CG-CD2 3.6Å; K279-D519 IonicContact NZ-OD1 3.55Å
280A82Confident76.4Confident51 Ų5151 Ų5142%0.42125%0.251SS..Hα-helixtrans-64.8-36.5179.700000113.6K276 Y277 M283 R284K276-A280 WeakPolarHBondContact O-CB 3.32Å; K276-A280 PolarHBondContact O-N 2.82Å; K276-A280 VanDerWaalsContact O-N 3.1Å; Y277-A280 PolarHBondContact O-N 2.88Å; A280-M283 PolarHBondContact O-N 3.39Å; A280-R284 VanDerWaalsContact O-CB 3.32Å; A280-R284 WeakPolarHBondContact O-CB 3.34Å; A280-R284 PolarHBondContact O-N 3.3Å
281I83.9Confident75.4Confident20 Ų2055.4 Ų55.410%0.10327%0.274CS..Hα-helixtrans-67.2-42.9177.3-67.7157.7000111Y277 Y278 K279 I302 N305 L306 C309 F316Y277-I281 WeakPolarHBondContact O-CD1 3.28Å; Y277-I281 WeakPolarHBondContact O-CG1 3.17Å; Y277-I281 PolarHBondContact O-N 2.91Å; Y278-I281 PolarHBondContact O-N 3.14Å; K279-I281 PolarHBondContact O-N 3.21Å; I281-I302 HydrophobicContact CG2-CG2 4.31Å; I281-N305 HydrophobicContact CD1-CB 4.45Å; I281-N305 HydrophobicContact CG2-CB 4.06Å; I281-L306 HydrophobicContact CB-CD2 3.85Å; I281-L306 HydrophobicContact CD1-CD2 4.46Å; I281-L306 HydrophobicContact CG2-CD2 3.58Å; I281-L306 HydrophobicContact CG2-CG 3.98Å; I281-C309 HydrophobicContact CD1-CB 3.93Å; I281-F316 HydrophobicContact CD1-CE1 4.3Å; I281-F316 HydrophobicContact CD1-CE2 3.95Å; I281-F316 HydrophobicContact CD1-CZ 3.48Å; I281-F316 VanDerWaalsContact CD1-CZ 3.48Å; I281-F316 HydrophobicContact CG1-CZ 4.5Å
282L79.4Confident73.8Confident13 Ų1363.6 Ų63.67%0.06831%0.312CS..Hα-helixtrans-62.9-43175.4-71.8173.3000112.1Y278 K279 F289 L306 V512Y278-L282 HydrophobicContact CD1-CD1 3.92Å; Y278-L282 HydrophobicContact CE1-CD1 3.85Å; Y278-L282 PolarHBondContact O-N 2.92Å; Y278-L282 VanDerWaalsContact O-N 3.15Å; K279-L282 PolarHBondContact O-N 3.36Å; L282-F289 HydrophobicContact CD2-CZ 4.42Å; L282-L306 HydrophobicContact CD2-CD1 3.82Å; L282-L306 HydrophobicContact CD2-CD2 4.33Å; L282-L306 HydrophobicContact CG-CD1 4.49Å; L282-L306 HydrophobicContact CG-CD2 4.14Å; L282-V512 HydrophobicContact CD1-CG2 4.01Å
283M73.8Confident72.2Confident57 Ų5770.4 Ų70.428%0.28134%0.335SS..Hα-helixtrans-68.9-37.8-179.7-72.7170.5162.800113.2K279 A280 D285 I583K279-M283 HydrophobicContact CG-CE 4.03Å; K279-M283 HydrophobicContact CG-SD 3.92Å; K279-M283 WeakPolarHBondContact O-CG 3.05Å; K279-M283 PolarHBondContact O-N 3.36Å; K279-M283 VanDerWaalsContact O-N 3.08Å; A280-M283 PolarHBondContact O-N 3.39Å; M283-D285 VanDerWaalsContact C-N 3.34Å; M283-D285 PolarHBondContact O-N 2.8Å; M283-I583 HydrophobicContact CE-CG2 3.54Å
284R72Confident70.8Confident211 Ų21168.7 Ų68.780%0.79633%0.331SS*.Hα-helixtrans-61.6-35.7-173.7176175174.5157.62114.3A280A280-R284 VanDerWaalsContact O-CB 3.32Å; A280-R284 WeakPolarHBondContact O-CB 3.34Å; A280-R284 PolarHBondContact O-N 3.3Å
285D64.6Low69.6Low34 Ų3472.1 Ų72.118%0.18236%0.355CS..THydrogen-bonded Turntrans-106.926.3-171.6-85.4-65.6000113.6M283 D287 A288 R298 I302M283-D285 VanDerWaalsContact C-N 3.34Å; M283-D285 PolarHBondContact O-N 2.8Å; D285-D287 VanDerWaalsContact C-N 3.33Å; D285-D287 PolarHBondContact O-N 2.79Å; D285-D287 VanDerWaalsContact O-N 3.1Å; D285-A288 WeakPolarHBondContact O-CB 3.44Å; D285-A288 PolarHBondContact O-N 2.85Å; D285-R298 IonicContact OD1-CZ 3.92Å; D285-R298 IonicContact OD1-NE 2.68Å; D285-R298 PolarHBondContact OD1-NE 2.81Å; D285-R298 IonicContact OD1-NH2 2.75Å; D285-R298 PolarHBondContact OD1-NH2 3.24Å; D285-I302 HydrophobicContact CB-CD1 3.56Å; D285-I302 HydrophobicContact CB-CG1 3.84Å
286Y62.8Low68.8Low73 Ų7376.1 Ų76.129%0.28637%0.373SS..THydrogen-bonded Turntrans-42.7-46.9-174.9173.1-111.7000115.5A288 F289 V290 L584Y286-A288 PolarHBondContact O-N 2.9Å; Y286-F289 WeakPolarHBondContact O-CB 3.41Å; Y286-F289 PolarHBondContact O-N 2.88Å; Y286-V290 HydrophobicContact CD1-CG2 4.12Å; Y286-V290 HydrophobicContact CD2-CG2 4.31Å; Y286-V290 HydrophobicContact CE1-CG2 3.42Å; Y286-V290 VanDerWaalsContact CE1-CG2 3.42Å; Y286-V290 HydrophobicContact CE2-CG2 3.62Å; Y286-V290 WeakPolarHBondContact OH-CG2 3.4Å; Y286-L584 HydrophobicContact CE1-CD1 3.88Å; Y286-L584 HydrophobicContact CE2-CB 4.38Å; Y286-L584 HydrophobicContact CE2-CD1 3.65Å; Y286-L584 HydrophobicContact CE2-CD2 3.93Å; Y286-L584 HydrophobicContact CE2-CG 4.2Å; Y286-L584 WeakPolarHBondContact OH-CD1 3.47Å; Y286-L584 WeakPolarHBondContact OH-CD2 3.4Å
287D61.3Low68.2Low91 Ų9174.1 Ų74.149%0.48737%0.369SS..Hα-helixtrans-60.1-19-177.7-40.2-58.7000114.2D285 F289 N291 R298D285-D287 VanDerWaalsContact C-N 3.33Å; D285-D287 PolarHBondContact O-N 2.79Å; D285-D287 VanDerWaalsContact O-N 3.1Å; D287-F289 VanDerWaalsContact C-N 3.26Å; D287-N291 PolarHBondContact O-N 2.84Å; D287-N291 PolarHBondContact O-ND2 2.99Å; D287-R298 IonicContact OD2-NH1 3.89Å; D287-R298 IonicContact OD2-NH2 3.42Å
288A58.7Low67.7Low5 Ų574.7 Ų74.74%0.04137%0.371CS..Hα-helixtrans-70.9-20.8175.500000113.1D285 Y286 R298 L299 I302D285-A288 WeakPolarHBondContact O-CB 3.44Å; D285-A288 PolarHBondContact O-N 2.85Å; Y286-A288 PolarHBondContact O-N 2.9Å; A288-R298 HydrophobicContact CB-CG 3.96Å; A288-L299 HydrophobicContact CB-CD2 4.18Å; A288-I302 HydrophobicContact CB-CD1 4.01Å
289F59.2Low67.3Low23 Ų2374.9 Ų74.910%0.10137%0.372CS..Hα-helixtrans-95.4-24.8179.4-61.7-77.3000113L282 Y286 D287 L299 I302 L508 F580L282-F289 HydrophobicContact CD2-CZ 4.42Å; Y286-F289 WeakPolarHBondContact O-CB 3.41Å; Y286-F289 PolarHBondContact O-N 2.88Å; D287-F289 VanDerWaalsContact C-N 3.26Å; F289-L299 HydrophobicContact CD1-CD2 4.41Å; F289-L299 HydrophobicContact CE1-CD2 4.25Å; F289-I302 HydrophobicContact CE2-CD1 4.03Å; F289-I302 HydrophobicContact CZ-CD1 3.98Å; F289-I302 HydrophobicContact CZ-CG2 4.36Å; F289-L508 HydrophobicContact CE1-CB 3.63Å; F289-L508 HydrophobicContact CE1-CD1 3.71Å; F289-L508 HydrophobicContact CE1-CG 4.29Å; F289-L508 HydrophobicContact CZ-CB 4.15Å; F289-L508 HydrophobicContact CZ-CD1 4.08Å; F289-F580 HydrophobicContact CB-CE1 4.46Å; F289-F580 HydrophobicContact CB-CZ 4.09Å; F289-F580 HydrophobicContact CD1-CZ 4.4Å; F289-F580 HydrophobicContact CD2-CZ 4.11Å; F289-F580 AromaticContact CG-CZ 3.95Å; F289-F580 HydrophobicContact CG-CZ 3.95Å
290V57.5Low67.1Low76 Ų7675.7 Ų75.746%0.46138%0.379SS..Hα-helixtrans-77.2-44.7178.1-170.40000111.4Y286 E292Y286-V290 HydrophobicContact CD1-CG2 4.12Å; Y286-V290 HydrophobicContact CD2-CG2 4.31Å; Y286-V290 HydrophobicContact CE1-CG2 3.42Å; Y286-V290 VanDerWaalsContact CE1-CG2 3.42Å; Y286-V290 HydrophobicContact CE2-CG2 3.62Å; Y286-V290 WeakPolarHBondContact OH-CG2 3.4Å; V290-E292 PolarHBondContact O-N 3.43Å
291N59.2Low67.1Low94 Ų9478.1 Ų78.150%0.50339%0.385SS..  trans-86.7104.4179.5-63.1-72.9000108.4D287 Q293 G294D287-N291 PolarHBondContact O-N 2.84Å; D287-N291 PolarHBondContact O-ND2 2.99Å; N291-Q293 PolarHBondContact O-N 2.61Å; N291-Q293 VanDerWaalsContact O-N 3.13Å; N291-G294 WeakPolarHBondContact O-CA 3.42Å; N291-G294 PolarHBondContact O-N 2.93Å
292E52.6Low67.1Low176 Ų17677.2 Ų77.282%0.82238%0.38SS*.THydrogen-bonded Turntrans-61.9-19.8174.4-61.1-172.8143.200112.9V290 G294V290-E292 PolarHBondContact O-N 3.43Å; E292-G294 VanDerWaalsContact C-N 3.27Å
293Q51.1Low67.3Low194 Ų19476.6 Ų76.691%0.90738%0.377SS*.THydrogen-bonded Turntrans-85.35.4170.2-62.2-178-3.400113.3N291 S295N291-Q293 PolarHBondContact O-N 2.61Å; N291-Q293 VanDerWaalsContact O-N 3.13Å; Q293-S295 PolarHBondContact O-N 3.31Å
294G55.6Low67.8Low20 Ų2076.9 Ų76.921%0.20638%0.382CS..SBendtrans-53.6130.9176.800000110.8N291 E292 K296N291-G294 WeakPolarHBondContact O-CA 3.42Å; N291-G294 PolarHBondContact O-N 2.93Å; E292-G294 VanDerWaalsContact C-N 3.27Å; G294-K296 PolarHBondContact O-N 3.43Å; G294-K296 VanDerWaalsContact O-N 3.11Å
295S63.4Low68.5Low73 Ų7369 Ų6951%0.5136%0.355SS..  trans-49.3122.1-174.71780000110.9Q293 N297 R298Q293-S295 PolarHBondContact O-N 3.31Å; S295-N297 PolarHBondContact O-N 3.02Å; S295-R298 WeakPolarHBondContact O-CB 3.45Å; S295-R298 PolarHBondContact O-N 3.42Å
296K68.4Low69.6Low99 Ų9967.3 Ų67.343%0.4335%0.347SS..Hα-helixtrans-49.9-30.7-180-66.6-173.1176.2-174.40111.7G294 R298 L299 L300 S497G294-K296 PolarHBondContact O-N 3.43Å; G294-K296 VanDerWaalsContact O-N 3.11Å; K296-R298 PolarHBondContact O-N 3.26Å; K296-L299 PolarHBondContact O-N 2.88Å; K296-L300 VanDerWaalsContact O-CG 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.44Å; K296-L300 PolarHBondContact O-N 2.72Å; K296-S497 PolarHBondContact NZ-O 3.08Å
297N72.9Confident70.9Confident107 Ų10764.5 Ų64.557%0.57234%0.335SS*.Hα-helixtrans-65.3-33.2177-58.1-3.7000113.2S295 N301S295-N297 PolarHBondContact O-N 3.02Å; N297-N301 WeakPolarHBondContact O-CB 3.26Å; N297-N301 PolarHBondContact O-N 2.72Å; N297-N301 PolarHBondContact O-ND2 2.75Å; N297-N301 PolarHBondContact O-OD1 2.89Å
298R76.1Confident72.2Confident83 Ų8362.9 Ų62.931%0.31332%0.324SS..Hα-helixtrans-69.3-45.7176.1-168.9172.5-178.5-166.82.4110.6D285 D287 A288 S295 K296 L300 N301 I302D285-R298 IonicContact OD1-CZ 3.92Å; D285-R298 IonicContact OD1-NE 2.68Å; D285-R298 PolarHBondContact OD1-NE 2.81Å; D285-R298 IonicContact OD1-NH2 2.75Å; D285-R298 PolarHBondContact OD1-NH2 3.24Å; D287-R298 IonicContact OD2-NH1 3.89Å; D287-R298 IonicContact OD2-NH2 3.42Å; A288-R298 HydrophobicContact CB-CG 3.96Å; S295-R298 WeakPolarHBondContact O-CB 3.45Å; S295-R298 PolarHBondContact O-N 3.42Å; K296-R298 PolarHBondContact O-N 3.26Å; R298-L300 VanDerWaalsContact C-N 3.33Å; R298-L300 PolarHBondContact O-N 2.9Å; R298-N301 WeakPolarHBondContact O-CB 3.28Å; R298-N301 PolarHBondContact O-N 2.7Å; R298-N301 VanDerWaalsContact O-N 3.14Å; R298-I302 WeakPolarHBondContact O-CG1 3.26Å; R298-I302 PolarHBondContact O-N 3.06Å
299L76.4Confident73.7Confident11 Ų1162.6 Ų62.66%0.05832%0.322CS..Hα-helixtrans-60.5-41174-63.4178.1000112A288 F289 K296 I302 L303 L504 L508A288-L299 HydrophobicContact CB-CD2 4.18Å; F289-L299 HydrophobicContact CD1-CD2 4.41Å; F289-L299 HydrophobicContact CE1-CD2 4.25Å; K296-L299 PolarHBondContact O-N 2.88Å; L299-I302 HydrophobicContact CD2-CD1 4.33Å; L299-I302 PolarHBondContact O-N 2.65Å; L299-L303 WeakPolarHBondContact O-CB 3.16Å; L299-L303 PolarHBondContact O-N 2.88Å; L299-L504 HydrophobicContact CB-CB 4.46Å; L299-L504 HydrophobicContact CB-CD1 4.44Å; L299-L504 HydrophobicContact CD1-CB 4.3Å; L299-L508 HydrophobicContact CB-CD1 4.38Å; L299-L508 HydrophobicContact CD2-CD1 3.99Å
300L77.8Confident75.1Confident78 Ų7861.6 Ų61.641%0.40832%0.317SS..Hα-helixtrans-63.6-37.9173.7-71.5169.5000112.8K296 R298 L303 V304 L504K296-L300 VanDerWaalsContact O-CG 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.44Å; K296-L300 PolarHBondContact O-N 2.72Å; R298-L300 VanDerWaalsContact C-N 3.33Å; R298-L300 PolarHBondContact O-N 2.9Å; L300-L303 HydrophobicContact CD2-CD2 4.35Å; L300-L303 WeakPolarHBondContact O-CB 3.42Å; L300-L303 PolarHBondContact O-N 2.9Å; L300-V304 WeakPolarHBondContact O-CG2 3.45Å; L300-V304 PolarHBondContact O-N 2.9Å; L300-L504 HydrophobicContact CD2-CD1 3.95Å; L300-L504 HydrophobicContact CG-CD1 4.18Å
301N82.8Confident76.7Confident103 Ų10358 Ų5855%0.55130%0.296SS*.Hα-helixtrans-66.5-41.1175.4-72.2-12.7000112.2N297 R298 V304 N305N297-N301 WeakPolarHBondContact O-CB 3.26Å; N297-N301 PolarHBondContact O-N 2.72Å; N297-N301 PolarHBondContact O-ND2 2.75Å; N297-N301 PolarHBondContact O-OD1 2.89Å; R298-N301 WeakPolarHBondContact O-CB 3.28Å; R298-N301 PolarHBondContact O-N 2.7Å; R298-N301 VanDerWaalsContact O-N 3.14Å; N301-V304 PolarHBondContact O-N 2.85Å; N301-N305 WeakPolarHBondContact O-CB 3.33Å; N301-N305 PolarHBondContact O-N 3.45Å; N301-N305 PolarHBondContact O-ND2 3.06Å
302I83.3Confident78.2Confident0 Ų053.5 Ų53.50%027%0.272CS..Hα-helixtrans-60.2-49.8173.4-61.5163.9000109.5I281 D285 A288 F289 R298 L299 V304 N305 L306 L508I281-I302 HydrophobicContact CG2-CG2 4.31Å; D285-I302 HydrophobicContact CB-CD1 3.56Å; D285-I302 HydrophobicContact CB-CG1 3.84Å; A288-I302 HydrophobicContact CB-CD1 4.01Å; F289-I302 HydrophobicContact CE2-CD1 4.03Å; F289-I302 HydrophobicContact CZ-CD1 3.98Å; F289-I302 HydrophobicContact CZ-CG2 4.36Å; R298-I302 WeakPolarHBondContact O-CG1 3.26Å; R298-I302 PolarHBondContact O-N 3.06Å; L299-I302 HydrophobicContact CD2-CD1 4.33Å; L299-I302 PolarHBondContact O-N 2.65Å; I302-V304 VanDerWaalsContact C-N 3.32Å; I302-V304 PolarHBondContact O-N 2.84Å; I302-N305 PolarHBondContact O-N 3.09Å; I302-L306 HydrophobicContact CG2-CD1 4.04Å; I302-L306 HydrophobicContact CG2-CG 4.26Å; I302-L306 WeakPolarHBondContact O-CG 3.48Å; I302-L306 PolarHBondContact O-N 3.47Å; I302-L508 HydrophobicContact CG2-CD1 4.43Å; I302-L508 HydrophobicContact CG2-CD2 4.03Å
303L83.1Confident80Confident1 Ų145.1 Ų45.11%0.00523%0.232CC..Hα-helixtrans-55.2-43.7178.5-166.678.7000112.5L299 L300 R307 F433 V465 L504 I507 L508L299-L303 WeakPolarHBondContact O-CB 3.16Å; L299-L303 PolarHBondContact O-N 2.88Å; L300-L303 HydrophobicContact CD2-CD2 4.35Å; L300-L303 WeakPolarHBondContact O-CB 3.42Å; L300-L303 PolarHBondContact O-N 2.9Å; L303-R307 PolarHBondContact O-N 3.14Å; L303-R307 VanDerWaalsContact O-N 3.13Å; L303-F433 HydrophobicContact CD2-CE1 3.76Å; L303-F433 HydrophobicContact CD2-CZ 3.5Å; L303-F433 HydrophobicContact CG-CZ 4.24Å; L303-V465 HydrophobicContact CD1-CG1 3.51Å; L303-V465 HydrophobicContact CD1-CG2 4.39Å; L303-V465 HydrophobicContact CG-CG1 4.3Å; L303-L504 HydrophobicContact CD1-CD2 4.37Å; L303-L504 HydrophobicContact CD2-CD2 3.75Å; L303-I507 HydrophobicContact CD1-CG2 3.68Å; L303-L508 HydrophobicContact CB-CD2 4.46Å; L303-L508 HydrophobicContact CD1-CD2 3.88Å; L303-L508 HydrophobicContact CD1-CG 4.43Å
304V84.7Confident81.8Confident63 Ų6336.5 Ų36.538%0.38219%0.192SC..Hα-helixtrans-66.9-38.5175.8167.40000111.9L300 N301 I302 R307 K308L300-V304 WeakPolarHBondContact O-CG2 3.45Å; L300-V304 PolarHBondContact O-N 2.9Å; N301-V304 PolarHBondContact O-N 2.85Å; I302-V304 VanDerWaalsContact C-N 3.32Å; I302-V304 PolarHBondContact O-N 2.84Å; V304-R307 PolarHBondContact O-N 3.45Å; V304-K308 WeakPolarHBondContact O-CG 3.27Å; V304-K308 PolarHBondContact O-N 2.94Å
305N87.5Confident83.3Confident44 Ų4435.9 Ų35.924%0.23518%0.184CC..Hα-helixtrans-71.5-38.1177.4-71.6-24.5000112.3I281 N301 I302 R307 K308 C309 F316I281-N305 HydrophobicContact CD1-CB 4.45Å; I281-N305 HydrophobicContact CG2-CB 4.06Å; N301-N305 WeakPolarHBondContact O-CB 3.33Å; N301-N305 PolarHBondContact O-N 3.45Å; N301-N305 PolarHBondContact O-ND2 3.06Å; I302-N305 PolarHBondContact O-N 3.09Å; N305-R307 VanDerWaalsContact C-N 3.31Å; N305-R307 PolarHBondContact O-N 3.49Å; N305-K308 WeakPolarHBondContact O-CB 3.49Å; N305-K308 PolarHBondContact O-N 2.72Å; N305-K308 PolarHBondContact OD1-NZ 2.68Å; N305-C309 PolarHBondContact O-N 3.25Å; N305-F316 HydrophobicContact CB-CE1 4.27Å; N305-F316 HydrophobicContact CB-CZ 4.34Å; N305-F316 WeakPolarHBondContact O-CZ 3.29Å
306L87.6Confident84.4Confident0 Ų034.2 Ų34.20%017%0.167CC..Hα-helixtrans-62.2-39.8172.8-66176000111.4Y278 I281 L282 I302 C309 V310 V465 L508Y278-L306 HydrophobicContact CD1-CD2 4.09Å; Y278-L306 HydrophobicContact CD2-CB 4.33Å; Y278-L306 HydrophobicContact CD2-CD2 3.7Å; Y278-L306 HydrophobicContact CE1-CD2 4.21Å; Y278-L306 HydrophobicContact CE2-CB 3.91Å; Y278-L306 HydrophobicContact CE2-CD2 3.84Å; Y278-L306 HydrophobicContact CE2-CG 4.3Å; Y278-L306 HydrophobicContact CG-CD2 3.86Å; I281-L306 HydrophobicContact CB-CD2 3.85Å; I281-L306 HydrophobicContact CD1-CD2 4.46Å; I281-L306 HydrophobicContact CG2-CD2 3.58Å; I281-L306 HydrophobicContact CG2-CG 3.98Å; L282-L306 HydrophobicContact CD2-CD1 3.82Å; L282-L306 HydrophobicContact CD2-CD2 4.33Å; L282-L306 HydrophobicContact CG-CD1 4.49Å; L282-L306 HydrophobicContact CG-CD2 4.14Å; I302-L306 HydrophobicContact CG2-CD1 4.04Å; I302-L306 HydrophobicContact CG2-CG 4.26Å; I302-L306 WeakPolarHBondContact O-CG 3.48Å; I302-L306 PolarHBondContact O-N 3.47Å; L306-C309 WeakPolarHBondContact O-CB 3.38Å; L306-C309 PolarHBondContact O-N 2.97Å; L306-V310 WeakPolarHBondContact O-CG2 3.15Å; L306-V310 PolarHBondContact O-N 3.35Å; L306-V465 HydrophobicContact CB-CG2 4.47Å; L306-V465 HydrophobicContact CD1-CG2 3.92Å; L306-L508 HydrophobicContact CD1-CD2 3.44Å; L306-L508 VanDerWaalsContact CD1-CD2 3.44Å
307R89Confident84.9Confident13 Ų1335.6 Ų35.65%0.04918%0.18CC..Hα-helixtrans-58.4-50.3171.1-76.5-174.659.9151.63.7112.5L303 V304 N305 C309 V310 D311 M362 D430 S431 M469L303-R307 PolarHBondContact O-N 3.14Å; L303-R307 VanDerWaalsContact O-N 3.13Å; V304-R307 PolarHBondContact O-N 3.45Å; N305-R307 VanDerWaalsContact C-N 3.31Å; N305-R307 PolarHBondContact O-N 3.49Å; R307-C309 PolarHBondContact O-N 3.3Å; R307-V310 PolarHBondContact O-N 3.04Å; R307-D311 PolarHBondContact O-N 2.7Å; R307-M362 HydrophobicContact CB-CE 3.79Å; R307-D430 IonicContact NH2-OD1 3.65Å; R307-S431 VanDerWaalsContact CZ-O 3.27Å; R307-S431 PolarHBondContact NH1-O 3.15Å; R307-S431 PolarHBondContact NH2-O 2.87Å; R307-M469 PolarHBondContact NH1-SD 3.38Å
308K89.7Confident84.9Confident57 Ų5734.2 Ų34.225%0.24819%0.19CC..Hα-helixtrans-51.9-44.4174.8-69.8173.4-169.8164.60111.9V304 N305 V310 D311 H312 L315 F316 M362V304-K308 WeakPolarHBondContact O-CG 3.27Å; V304-K308 PolarHBondContact O-N 2.94Å; N305-K308 WeakPolarHBondContact O-CB 3.49Å; N305-K308 PolarHBondContact O-N 2.72Å; N305-K308 PolarHBondContact OD1-NZ 2.68Å; K308-V310 VanDerWaalsContact C-N 3.34Å; K308-V310 PolarHBondContact O-N 2.66Å; K308-D311 PolarHBondContact O-N 2.81Å; K308-H312 CarbonylContact O-C 3.51Å; K308-H312 PolarHBondContact O-N 2.93Å; K308-H312 VanDerWaalsContact O-O 3.06Å; K308-L315 HydrophobicContact CB-CB 3.99Å; K308-L315 HydrophobicContact CB-CD1 4.15Å; K308-L315 HydrophobicContact CG-CB 4.25Å; K308-L315 HydrophobicContact CG-CD1 4.41Å; K308-F316 HydrophobicContact CB-CE1 4.35Å; K308-F316 HydrophobicContact CB-CE2 4.19Å; K308-F316 HydrophobicContact CB-CZ 3.84Å; K308-F316 HydrophobicContact CD-CE1 4.01Å; K308-F316 HydrophobicContact CD-CZ 4.32Å; K308-M362 HydrophobicContact CB-CE 4.48Å; K308-M362 HydrophobicContact CG-CE 3.83Å; K308-M362 HydrophobicContact CG-SD 3.74Å
309C89.6Confident84.9Confident0 Ų031.2 Ų31.20%018%0.181CC..Hα-helixtrans-62.3-40.9179.5-167.20000112.6Q274 Y277 Y278 I281 N305 L306 R307 F316Q274-C309 WeakPolarHBondContact CG-O 2.99Å; Q274-C309 PolarHBondContact NE2-O 2.83Å; Q274-C309 PolarHBondContact O-SG 3.04Å; Y277-C309 VanDerWaalsContact CB-SG 3.55Å; Y278-C309 HydrophobicContact CD2-CB 4.46Å; Y278-C309 PolarHBondContact N-SG 3.34Å; Y278-C309 VanDerWaalsContact N-SG 3.36Å; I281-C309 HydrophobicContact CD1-CB 3.93Å; N305-C309 PolarHBondContact O-N 3.25Å; L306-C309 WeakPolarHBondContact O-CB 3.38Å; L306-C309 PolarHBondContact O-N 2.97Å; R307-C309 PolarHBondContact O-N 3.3Å; C309-F316 HydrophobicContact CB-CE2 3.88Å; C309-F316 HydrophobicContact CB-CZ 4.3Å
310V88.8Confident84.8Confident1 Ų133.5 Ų33.51%0.00619%0.192CC..Hα-helixtrans-71.4-32.5177.5173.40000112.5M270 Q274 Y278 L306 R307 K308 A461 T464 E466M270-V310 HydrophobicContact CE-CG2 4.16Å; Q274-V310 PolarHBondContact NE2-O 2.72Å; Y278-V310 HydrophobicContact CD2-CG2 4.02Å; Y278-V310 HydrophobicContact CE2-CG2 3.79Å; L306-V310 WeakPolarHBondContact O-CG2 3.15Å; L306-V310 PolarHBondContact O-N 3.35Å; R307-V310 PolarHBondContact O-N 3.04Å; K308-V310 VanDerWaalsContact C-N 3.34Å; K308-V310 PolarHBondContact O-N 2.66Å; V310-A461 HydrophobicContact CG1-CB 3.43Å; V310-A461 VanDerWaalsContact CG1-CB 3.43Å; V310-T464 HydrophobicContact CG2-CG2 4.02Å; V310-E466 HydrophobicContact CG1-CG 3.95Å; V310-E466 WeakPolarHBondContact CG1-OE2 3.3Å
311D90.8Very high84.3Confident0 Ų033 Ų330%019%0.193CC..Hα-helixtrans-71.9-66.1173.9-70.2-41.1000111.7R307 K308 L315 S334 K336 M362 M365R307-D311 PolarHBondContact O-N 2.7Å; K308-D311 PolarHBondContact O-N 2.81Å; D311-L315 HydrophobicContact CB-CD1 3.77Å; D311-S334 PolarHBondContact O-OG 2.87Å; D311-K336 IonicContact OD1-NZ 2.63Å; D311-K336 PolarHBondContact OD1-NZ 2.91Å; D311-M362 WeakPolarHBondContact OD2-CE 3.47Å; D311-M365 HydrophobicContact CB-SD 4.33Å
312H91.6Very high83Confident0 Ų035.3 Ų35.30%020%0.201CC..  trans-158.6132.4178.2-157.3-89.9000113.8K308 Y314 L315 L330 S334 L337 M365 I368K308-H312 CarbonylContact O-C 3.51Å; K308-H312 PolarHBondContact O-N 2.93Å; K308-H312 VanDerWaalsContact O-O 3.06Å; H312-Y314 VanDerWaalsContact C-N 3.29Å; H312-Y314 AromaticContact CE1-CD2 3.4Å; H312-Y314 VanDerWaalsContact CE1-CD2 3.4Å; H312-Y314 WeakPolarHBondContact CE1-CD2 3.4Å; H312-Y314 AromaticContact CE1-CE2 3.81Å; H312-Y314 AromaticContact CE1-CG 3.55Å; H312-Y314 AromaticContact ND1-CD2 3.86Å; H312-Y314 AromaticContact ND1-CG 3.63Å; H312-Y314 PolarHBondContact ND1-N 2.71Å; H312-Y314 VanDerWaalsContact ND1-N 3.18Å; H312-Y314 PolarHBondContact O-N 3.29Å; H312-L315 HydrophobicContact CB-CD1 4.29Å; H312-L315 HydrophobicContact CB-CG 4.13Å; H312-L315 VanDerWaalsContact O-CB 3.29Å; H312-L315 WeakPolarHBondContact O-CB 3.14Å; H312-L315 WeakPolarHBondContact O-CG 3.5Å; H312-L315 PolarHBondContact O-N 2.76Å; H312-L330 PolarHBondContact NE2-O 3.06Å; H312-L330 VanDerWaalsContact NE2-O 3.08Å; H312-S334 WeakPolarHBondContact CD2-CB 3.4Å; H312-L337 VanDerWaalsContact CD2-CD1 3.41Å; H312-L337 WeakPolarHBondContact CD2-CD1 3.35Å; H312-M365 HydrophobicContact CB-CE 4.21Å; H312-M365 HydrophobicContact CB-SD 3.7Å; H312-I368 HydrophobicContact CB-CD1 3.98Å
313P89.5Confident82.2Confident0 Ų039.8 Ų39.80%023%0.229CC..G310 helixtrans-54.8-36.4177-29.837.6000115.2L273 Q274 L315 F316 V319 A333L273-P313 HydrophobicContact CB-CG 4.5Å; L273-P313 HydrophobicContact CD2-CB 3.8Å; L273-P313 HydrophobicContact CD2-CG 3.94Å; L273-P313 HydrophobicContact CG-CB 4.18Å; L273-P313 HydrophobicContact CG-CG 4.16Å; Q274-P313 HydrophobicContact CG-CG 3.63Å; P313-L315 PolarHBondContact O-N 3.08Å; P313-L315 VanDerWaalsContact O-N 3.12Å; P313-F316 WeakPolarHBondContact O-CB 3.43Å; P313-F316 WeakPolarHBondContact O-CD2 3.22Å; P313-F316 PolarHBondContact O-N 3.32Å; P313-V319 HydrophobicContact CB-CG1 3.88Å; P313-A333 HydrophobicContact CG-CB 4.43Å; P313-A333 WeakPolarHBondContact CG-O 3.06Å
314Y88.8Confident81.5Confident13 Ų1346 Ų465%0.05126%0.256CS..G310 helixtrans-74.34.6179.9-48-19000113.8L273 H312 F316 V319 E320 H329 L330 A333 R364L273-Y314 HydrophobicContact CD2-CE1 4.46Å; H312-Y314 VanDerWaalsContact C-N 3.29Å; H312-Y314 AromaticContact CE1-CD2 3.4Å; H312-Y314 VanDerWaalsContact CE1-CD2 3.4Å; H312-Y314 WeakPolarHBondContact CE1-CD2 3.4Å; H312-Y314 AromaticContact CE1-CE2 3.81Å; H312-Y314 AromaticContact CE1-CG 3.55Å; H312-Y314 AromaticContact ND1-CD2 3.86Å; H312-Y314 AromaticContact ND1-CG 3.63Å; H312-Y314 PolarHBondContact ND1-N 2.71Å; H312-Y314 VanDerWaalsContact ND1-N 3.18Å; H312-Y314 PolarHBondContact O-N 3.29Å; Y314-F316 PolarHBondContact O-N 2.84Å; Y314-V319 HydrophobicContact CD1-CB 4.47Å; Y314-V319 HydrophobicContact CD1-CG1 4.27Å; Y314-V319 WeakPolarHBondContact CE1-O 3.31Å; Y314-E320 HydrophobicContact CD1-CB 3.81Å; Y314-E320 HydrophobicContact CD1-CG 4.27Å; Y314-E320 HydrophobicContact CD2-CB 3.99Å; Y314-E320 HydrophobicContact CD2-CG 3.59Å; Y314-E320 HydrophobicContact CE1-CB 4.2Å; Y314-E320 HydrophobicContact CE1-CG 4.43Å; Y314-E320 HydrophobicContact CE2-CB 4.37Å; Y314-E320 HydrophobicContact CE2-CG 3.78Å; Y314-E320 HydrophobicContact CG-CB 3.73Å; Y314-E320 HydrophobicContact CG-CG 3.9Å; Y314-H329 PolarHBondContact OH-CD2 3.25Å; Y314-L330 HydrophobicContact CD2-CD1 3.66Å; Y314-L330 HydrophobicContact CE2-CD1 3.74Å; Y314-A333 HydrophobicContact CE1-CB 4.18Å; Y314-A333 HydrophobicContact CE2-CB 4.49Å; Y314-R364 PolarHBondContact O-NH2 3.14Å; Y314-R364 VanDerWaalsContact O-NH2 3.14Å
315L88.3Confident80.7Confident8 Ų849.1 Ų49.14%0.04227%0.267CS..G310 helixtrans-72.9-6.3160.1-62.7175.4000112.6K308 D311 H312 P313 M362 R364 M365 I368K308-L315 HydrophobicContact CB-CB 3.99Å; K308-L315 HydrophobicContact CB-CD1 4.15Å; K308-L315 HydrophobicContact CG-CB 4.25Å; K308-L315 HydrophobicContact CG-CD1 4.41Å; D311-L315 HydrophobicContact CB-CD1 3.77Å; H312-L315 HydrophobicContact CB-CD1 4.29Å; H312-L315 HydrophobicContact CB-CG 4.13Å; H312-L315 VanDerWaalsContact O-CB 3.29Å; H312-L315 WeakPolarHBondContact O-CB 3.14Å; H312-L315 WeakPolarHBondContact O-CG 3.5Å; H312-L315 PolarHBondContact O-N 2.76Å; P313-L315 PolarHBondContact O-N 3.08Å; P313-L315 VanDerWaalsContact O-N 3.12Å; L315-M362 HydrophobicContact CD1-SD 4.35Å; L315-R364 HydrophobicContact CD2-CB 3.4Å; L315-R364 VanDerWaalsContact CD2-CB 3.4Å; L315-M365 HydrophobicContact CD1-CB 4.47Å; L315-M365 HydrophobicContact CD1-SD 4.46Å; L315-M365 HydrophobicContact CD2-CB 4.44Å; L315-I368 HydrophobicContact CD2-CD1 3.71Å; L315-I368 HydrophobicContact CG-CD1 4.03Å
316F86.4Confident80.1Confident38 Ų3851.3 Ų51.317%0.16728%0.278CS..SBendtrans-105.3135165.4-59.3-70.7000110.5Y277 I281 N305 K308 C309 P313 Y314 V319Y277-F316 HydrophobicContact CD1-CD2 4.49Å; I281-F316 HydrophobicContact CD1-CE1 4.3Å; I281-F316 HydrophobicContact CD1-CE2 3.95Å; I281-F316 HydrophobicContact CD1-CZ 3.48Å; I281-F316 VanDerWaalsContact CD1-CZ 3.48Å; I281-F316 HydrophobicContact CG1-CZ 4.5Å; N305-F316 HydrophobicContact CB-CE1 4.27Å; N305-F316 HydrophobicContact CB-CZ 4.34Å; N305-F316 WeakPolarHBondContact O-CZ 3.29Å; K308-F316 HydrophobicContact CB-CE1 4.35Å; K308-F316 HydrophobicContact CB-CE2 4.19Å; K308-F316 HydrophobicContact CB-CZ 3.84Å; K308-F316 HydrophobicContact CD-CE1 4.01Å; K308-F316 HydrophobicContact CD-CZ 4.32Å; C309-F316 HydrophobicContact CB-CE2 3.88Å; C309-F316 HydrophobicContact CB-CZ 4.3Å; P313-F316 WeakPolarHBondContact O-CB 3.43Å; P313-F316 WeakPolarHBondContact O-CD2 3.22Å; P313-F316 PolarHBondContact O-N 3.32Å; Y314-F316 PolarHBondContact O-N 2.84Å; F316-V319 HydrophobicContact CB-CB 4.45Å; F316-V319 HydrophobicContact CB-CG2 3.59Å
317D78.5Confident79.5Confident128 Ų12851.9 Ų51.968%0.68428%0.283SS*.THydrogen-bonded Turntrans-74.3138.9-177.5-46.6-54.4000110.1R364D317-R364 IonicContact OD1-CZ 2.9Å; D317-R364 IonicContact OD1-NH1 3.77Å; D317-R364 PolarHBondContact OD1-NH1 2.87Å; D317-R364 IonicContact OD1-NH2 3.8Å; D317-R364 PolarHBondContact OD1-NH2 2.71Å; D317-R364 IonicContact OD2-NH1 3.35Å
318G73.5Confident79.2Confident77 Ų7756.5 Ų56.579%0.79431%0.305SS*.THydrogen-bonded Turntrans75.716.5-175.200000115.7
319V75.6Confident78.8Confident20 Ų2056.6 Ų56.612%0.12131%0.307CS..  trans-104.2-20.4175.2-175.30000112.7L273 Y277 P313 Y314 F316L273-V319 HydrophobicContact CD2-CG1 4.4Å; Y277-V319 HydrophobicContact CD1-CG2 4.47Å; Y277-V319 HydrophobicContact CD2-CG1 4.34Å; Y277-V319 HydrophobicContact CE1-CG1 4.32Å; Y277-V319 HydrophobicContact CE1-CG2 3.57Å; Y277-V319 HydrophobicContact CE2-CG1 3.62Å; Y277-V319 HydrophobicContact CE2-CG2 4.36Å; Y277-V319 WeakPolarHBondContact OH-CG2 3.34Å; P313-V319 HydrophobicContact CB-CG1 3.88Å; Y314-V319 HydrophobicContact CD1-CB 4.47Å; Y314-V319 HydrophobicContact CD1-CG1 4.27Å; Y314-V319 WeakPolarHBondContact CE1-O 3.31Å; F316-V319 HydrophobicContact CB-CB 4.45Å; F316-V319 HydrophobicContact CB-CG2 3.59Å
320E75.1Confident78.6Confident60 Ų6057 Ų5728%0.2831%0.309SS..SBendtrans-78.9135.5173.6-168166173.200109.9Y314 E322 F324Y314-E320 HydrophobicContact CD1-CB 3.81Å; Y314-E320 HydrophobicContact CD1-CG 4.27Å; Y314-E320 HydrophobicContact CD2-CB 3.99Å; Y314-E320 HydrophobicContact CD2-CG 3.59Å; Y314-E320 HydrophobicContact CE1-CB 4.2Å; Y314-E320 HydrophobicContact CE1-CG 4.43Å; Y314-E320 HydrophobicContact CE2-CB 4.37Å; Y314-E320 HydrophobicContact CE2-CG 3.78Å; Y314-E320 HydrophobicContact CG-CB 3.73Å; Y314-E320 HydrophobicContact CG-CG 3.9Å; E320-E322 PolarHBondContact O-N 3.39Å; E320-F324 HydrophobicContact CB-CD1 4.47Å; E320-F324 HydrophobicContact CB-CE1 4.18Å; E320-F324 HydrophobicContact CG-CD1 3.96Å; E320-F324 HydrophobicContact CG-CE1 4.17Å
321P66.3Low78.4Confident68 Ų6857.6 Ų57.644%0.44231%0.312SS..PPolyproline II helixtrans-72.9119.4-177.728.9-33.7000110.7P323P321-P323 CarbonylContact O-C 3.55Å
322E54.8Low78.2Confident151 Ų15164.4 Ų64.471%0.70634%0.344SS*.SBendtrans-76.5141.5171.4-60.2-166.6170.700110.7E320 F324E320-E322 PolarHBondContact O-N 3.39Å; E322-F324 HydrophobicContact CG-CD2 4.5Å; E322-F324 HydrophobicContact CG-CE1 4.45Å; E322-F324 HydrophobicContact CG-CE2 3.83Å; E322-F324 HydrophobicContact CG-CZ 3.8Å; E322-F324 WeakPolarHBondContact OE1-CE2 3.17Å; E322-F324 VanDerWaalsContact OE1-CZ 3.31Å; E322-F324 WeakPolarHBondContact OE1-CZ 3.41Å
323P67.4Low77.9Confident93 Ų9364.7 Ų64.760%0.60435%0.346SS*.SBendcis-75.9142.6-1.132-36000113.1P321 Q325P321-P323 CarbonylContact O-C 3.55Å; P323-Q325 WeakPolarHBondContact O-CG 3.4Å; P323-Q325 PolarHBondContact O-N 3.12Å
324F68.3Low77.8Confident131 Ų13164.7 Ų64.758%0.57535%0.346SS*.  trans-54.3103.4175.8-54.6-82.9000111.7E320 E322E320-F324 HydrophobicContact CB-CD1 4.47Å; E320-F324 HydrophobicContact CB-CE1 4.18Å; E320-F324 HydrophobicContact CG-CD1 3.96Å; E320-F324 HydrophobicContact CG-CE1 4.17Å; E322-F324 HydrophobicContact CG-CD2 4.5Å; E322-F324 HydrophobicContact CG-CE1 4.45Å; E322-F324 HydrophobicContact CG-CE2 3.83Å; E322-F324 HydrophobicContact CG-CZ 3.8Å; E322-F324 WeakPolarHBondContact OE1-CE2 3.17Å; E322-F324 VanDerWaalsContact OE1-CZ 3.31Å; E322-F324 WeakPolarHBondContact OE1-CZ 3.41Å
325Q68.2Low77.7Confident130 Ų13064.2 Ų64.261%0.60735%0.345SS*.  trans-123.3140177.5-70.6-179.22500109.2P323 G327 H329P323-Q325 WeakPolarHBondContact O-CG 3.4Å; P323-Q325 PolarHBondContact O-N 3.12Å; Q325-G327 PolarHBondContact O-N 3.44Å; Q325-H329 PolarHBondContact O-CE1 3.31Å; Q325-H329 PolarHBondContact O-NE2 2.84Å; Q325-H329 VanDerWaalsContact O-NE2 3.12Å
326I73.6Confident77.8Confident90 Ų9063.9 Ų63.946%0.46234%0.343SS..  trans-82.8117.1177.4-51.3180000108.8Y375I326-Y375 HydrophobicContact CG2-CD2 3.77Å; I326-Y375 HydrophobicContact CG2-CG 3.93Å
327G76.3Confident77.9Confident11 Ų1162.1 Ų62.111%0.11334%0.335CS..SBendtrans-165.7-177.8-175.500000115.4Q325 H329 L330Q325-G327 PolarHBondContact O-N 3.44Å; G327-H329 PolarHBondContact O-N 3.26Å; G327-H329 VanDerWaalsContact O-N 3.16Å; G327-L330 WeakPolarHBondContact O-CB 3.13Å; G327-L330 PolarHBondContact O-N 2.82Å; G327-L330 VanDerWaalsContact O-N 3.11Å
328E82.2Confident78.4Confident110 Ų11057.8 Ų57.851%0.51432%0.315SS..THydrogen-bonded Turntrans-64.5-22.2-171.5-55.1-157.3117.800114.3L330 I331 E332 Y375 R376E328-L330 PolarHBondContact O-N 2.8Å; E328-L330 VanDerWaalsContact O-N 3.14Å; E328-I331 WeakPolarHBondContact O-CA 3.35Å; E328-I331 WeakPolarHBondContact O-CB 3.24Å; E328-I331 PolarHBondContact O-N 2.96Å; E328-E332 PolarHBondContact O-N 2.72Å; E328-Y375 HydrophobicContact CG-CE1 4.1Å; E328-Y375 WeakPolarHBondContact CG-OH 3.46Å; E328-R376 IonicContact OE1-NH1 2.69Å; E328-R376 PolarHBondContact OE1-NH1 2.99Å
329H82.1Confident79Confident59 Ų5954.6 Ų54.627%0.27328%0.28SS..Hα-helixtrans-56.4-28.7173.760.4-99.7000112.6Y314 Q325 G327 I331 E332 A333Y314-H329 PolarHBondContact OH-CD2 3.25Å; Q325-H329 PolarHBondContact O-CE1 3.31Å; Q325-H329 PolarHBondContact O-NE2 2.84Å; Q325-H329 VanDerWaalsContact O-NE2 3.12Å; G327-H329 PolarHBondContact O-N 3.26Å; G327-H329 VanDerWaalsContact O-N 3.16Å; H329-I331 VanDerWaalsContact C-N 3.31Å; H329-I331 PolarHBondContact O-N 2.9Å; H329-E332 PolarHBondContact O-N 2.65Å; H329-A333 WeakPolarHBondContact O-CB 3.4Å; H329-A333 PolarHBondContact O-N 3.03Å
330L84.3Confident79.7Confident10 Ų1053.7 Ų53.75%0.05227%0.274CS..Hα-helixtrans-63-38173.5-169.967.4000111.5H312 Y314 G327 E328 L337 I368 D371H312-L330 PolarHBondContact NE2-O 3.06Å; H312-L330 VanDerWaalsContact NE2-O 3.08Å; Y314-L330 HydrophobicContact CD2-CD1 3.66Å; Y314-L330 HydrophobicContact CE2-CD1 3.74Å; G327-L330 WeakPolarHBondContact O-CB 3.13Å; G327-L330 PolarHBondContact O-N 2.82Å; G327-L330 VanDerWaalsContact O-N 3.11Å; E328-L330 PolarHBondContact O-N 2.8Å; E328-L330 VanDerWaalsContact O-N 3.14Å; L330-L337 HydrophobicContact CG-CD1 4.18Å; L330-L337 WeakPolarHBondContact O-CD1 3.49Å; L330-I368 HydrophobicContact CD1-CG2 4.12Å; L330-D371 HydrophobicContact CD2-CB 4.39Å
331I85.9Confident80.5Confident13 Ų1351.9 Ų51.97%0.06727%0.266CS..Hα-helixtrans-79.7-38.4-179.7-53.8176.1000110.3E328 H329 S334 C338 D341 Y372 Y375 R376E328-I331 WeakPolarHBondContact O-CA 3.35Å; E328-I331 WeakPolarHBondContact O-CB 3.24Å; E328-I331 PolarHBondContact O-N 2.96Å; H329-I331 VanDerWaalsContact C-N 3.31Å; H329-I331 PolarHBondContact O-N 2.9Å; I331-S334 VanDerWaalsContact O-O 3.13Å; I331-C338 HydrophobicContact CG2-CB 4.29Å; I331-D341 HydrophobicContact CG2-CB 4.17Å; I331-Y372 HydrophobicContact CD1-CD2 4.09Å; I331-Y372 HydrophobicContact CD1-CE2 3.85Å; I331-Y372 HydrophobicContact CG1-CD2 4Å; I331-Y372 HydrophobicContact CG1-CE2 4.13Å; I331-Y375 HydrophobicContact CD1-CD1 4.39Å; I331-Y375 HydrophobicContact CD1-CE1 4.33Å; I331-R376 VanDerWaalsContact CD1-CZ 3.49Å
332E85.3Confident81.4Confident143 Ų14351.2 Ų51.267%0.66826%0.263SS*.Hα-helixtrans-70.1-31.2176.7-64.5-174.9154.300113.1E328 H329 S334E328-E332 PolarHBondContact O-N 2.72Å; H329-E332 PolarHBondContact O-N 2.65Å; E332-S334 VanDerWaalsContact C-N 3.3Å; E332-S334 PolarHBondContact O-N 3.04Å
333A85.4Confident82.9Confident6 Ų644 Ų445%0.0523%0.229CC..Hα-helixtrans-63.6-31.2-178.900000113.3S271 L273 P313 Y314 H329S271-A333 WeakPolarHBondContact CB-O 3.28Å; S271-A333 PolarHBondContact OG-O 3.19Å; L273-A333 HydrophobicContact CD2-CB 4.31Å; P313-A333 HydrophobicContact CG-CB 4.43Å; P313-A333 WeakPolarHBondContact CG-O 3.06Å; Y314-A333 HydrophobicContact CE1-CB 4.18Å; Y314-A333 HydrophobicContact CE2-CB 4.49Å; H329-A333 WeakPolarHBondContact O-CB 3.4Å; H329-A333 PolarHBondContact O-N 3.03Å
334S88.7Confident84Confident0 Ų039.6 Ų39.60%020%0.201CC..  trans-126.8124.6178.81790000113.4Q274 D311 H312 I331 E332 K336 L337 C338Q274-S334 PolarHBondContact NE2-OG 2.92Å; D311-S334 PolarHBondContact O-OG 2.87Å; H312-S334 WeakPolarHBondContact CD2-CB 3.4Å; I331-S334 VanDerWaalsContact O-O 3.13Å; E332-S334 VanDerWaalsContact C-N 3.3Å; E332-S334 PolarHBondContact O-N 3.04Å; S334-K336 PolarHBondContact O-N 3.46Å; S334-K336 VanDerWaalsContact O-N 3.14Å; S334-K336 WeakPolarHBondContact OG-CB 3.45Å; S334-K336 PolarHBondContact OG-N 2.92Å; S334-K336 VanDerWaalsContact OG-N 3.14Å; S334-L337 PolarHBondContact O-N 3.17Å; S334-L337 VanDerWaalsContact O-N 3.09Å; S334-C338 PolarHBondContact O-N 2.89Å
335G86Confident84.8Confident2 Ų234.3 Ų34.32%0.02118%0.182CC..Hα-helixtrans-59.6-23.5170.700000113.3L339G335-L339 PolarHBondContact O-N 2.87Å; G335-L339 VanDerWaalsContact O-N 3.16Å
336K89.5Confident85.6Confident1 Ų130.6 Ų30.60%0.00416%0.163CC..Hα-helixtrans-72.3-41.6175.3-162.7172.8-75.1-162.20111.5H268 D311 S334 L340 V429 L459 E466H268-K336 WeakPolarHBondContact NE2-CE 2.62Å; D311-K336 IonicContact OD1-NZ 2.63Å; D311-K336 PolarHBondContact OD1-NZ 2.91Å; S334-K336 PolarHBondContact O-N 3.46Å; S334-K336 VanDerWaalsContact O-N 3.14Å; S334-K336 WeakPolarHBondContact OG-CB 3.45Å; S334-K336 PolarHBondContact OG-N 2.92Å; S334-K336 VanDerWaalsContact OG-N 3.14Å; K336-L340 VanDerWaalsContact O-CB 3.31Å; K336-L340 WeakPolarHBondContact O-CB 3.39Å; K336-L340 PolarHBondContact O-N 2.84Å; K336-V429 HydrophobicContact CD-CG1 3.7Å; K336-V429 VanDerWaalsContact CD-O 3.29Å; K336-V429 WeakPolarHBondContact CD-O 3.21Å; K336-V429 WeakPolarHBondContact CE-O 3.5Å; K336-V429 HydrophobicContact CG-CG1 4.36Å; K336-V429 PolarHBondContact NZ-O 3.38Å; K336-L459 HydrophobicContact CD-CB 4.46Å; K336-L459 HydrophobicContact CG-CB 4.22Å; K336-L459 HydrophobicContact CG-CD1 3.95Å; K336-E466 VanDerWaalsContact NZ-CD 3.26Å; K336-E466 IonicContact NZ-OE1 2.76Å; K336-E466 PolarHBondContact NZ-OE1 2.68Å; K336-E466 IonicContact NZ-OE2 3.91Å; K336-E466 PolarHBondContact NZ-OE2 3.29Å
337L90.3Very high86.1Confident1 Ų126.3 Ų26.31%0.00514%0.141CC..Hα-helixtrans-71.7-39.3174.1-73.3-172.1000112.6H312 L330 S334 L339 L340 D341 M365 I368 L369H312-L337 VanDerWaalsContact CD2-CD1 3.41Å; H312-L337 WeakPolarHBondContact CD2-CD1 3.35Å; L330-L337 HydrophobicContact CG-CD1 4.18Å; L330-L337 WeakPolarHBondContact O-CD1 3.49Å; S334-L337 PolarHBondContact O-N 3.17Å; S334-L337 VanDerWaalsContact O-N 3.09Å; L337-L339 VanDerWaalsContact C-N 3.33Å; L337-L339 PolarHBondContact O-N 2.87Å; L337-L340 HydrophobicContact CD2-CD2 4.1Å; L337-L340 PolarHBondContact O-N 2.89Å; L337-L340 VanDerWaalsContact O-N 3.15Å; L337-D341 WeakPolarHBondContact O-CB 3.47Å; L337-D341 PolarHBondContact O-N 2.85Å; L337-M365 HydrophobicContact CD2-CE 3.78Å; L337-M365 HydrophobicContact CG-CE 4.11Å; L337-I368 HydrophobicContact CD1-CG2 3.97Å; L337-L369 HydrophobicContact CD2-CD2 3.65Å
338C88Confident86.4Confident38 Ų3831.9 Ų31.926%0.25716%0.16SC..Hα-helixtrans-58.6-42.3174.7-1780000112.7I331 S334 S342I331-C338 HydrophobicContact CG2-CB 4.29Å; S334-C338 PolarHBondContact O-N 2.89Å; C338-S342 PolarHBondContact O-N 3.2Å; C338-S342 PolarHBondContact O-OG 2.92Å
339L86.8Confident85.9Confident10 Ų1034.8 Ų34.85%0.05217%0.171CC..Hα-helixtrans-67.6-43.517217760.7000112V266 H268 G335 L337 D341 S342 I343 L459 V526 L528V266-L339 HydrophobicContact CB-CD2 4.29Å; V266-L339 HydrophobicContact CG1-CD1 4.21Å; V266-L339 HydrophobicContact CG1-CD2 3.62Å; V266-L339 HydrophobicContact CG1-CG 4.48Å; H268-L339 HydrophobicContact CB-CB 4.37Å; H268-L339 HydrophobicContact CB-CD2 3.8Å; G335-L339 PolarHBondContact O-N 2.87Å; G335-L339 VanDerWaalsContact O-N 3.16Å; L337-L339 VanDerWaalsContact C-N 3.33Å; L337-L339 PolarHBondContact O-N 2.87Å; L339-D341 PolarHBondContact O-N 3.09Å; L339-S342 WeakPolarHBondContact O-CB 3.28Å; L339-S342 PolarHBondContact O-N 3.07Å; L339-I343 HydrophobicContact CD1-CD1 3.89Å; L339-I343 HydrophobicContact CD1-CG1 4.21Å; L339-I343 HydrophobicContact CD2-CD1 4.38Å; L339-I343 HydrophobicContact CG-CD1 3.79Å; L339-I343 HydrophobicContact CG-CG1 4.5Å; L339-I343 WeakPolarHBondContact O-CG1 3.42Å; L339-I343 PolarHBondContact O-N 3.2Å; L339-L459 HydrophobicContact CD2-CD2 3.86Å; L339-L459 HydrophobicContact CG-CD2 4.4Å; L339-V526 HydrophobicContact CD1-CG2 4.17Å; L339-L528 HydrophobicContact CD1-CD2 4.24Å
340L90.4Very high84.8Confident1 Ų133.4 Ų33.41%0.00517%0.173CC..Hα-helixtrans-62.3-40.8180-179.462.1000112.2K336 L337 S342 I343 L344 L358 L369 V427 L459K336-L340 VanDerWaalsContact O-CB 3.31Å; K336-L340 WeakPolarHBondContact O-CB 3.39Å; K336-L340 PolarHBondContact O-N 2.84Å; L337-L340 HydrophobicContact CD2-CD2 4.1Å; L337-L340 PolarHBondContact O-N 2.89Å; L337-L340 VanDerWaalsContact O-N 3.15Å; L340-S342 VanDerWaalsContact C-N 3.35Å; L340-S342 PolarHBondContact O-N 3.48Å; L340-I343 PolarHBondContact O-N 2.99Å; L340-L344 HydrophobicContact CD1-CD1 3.91Å; L340-L344 HydrophobicContact CD1-CD2 4.48Å; L340-L344 HydrophobicContact CD1-CG 3.9Å; L340-L344 HydrophobicContact CD2-CD1 4.32Å; L340-L344 HydrophobicContact CG-CD1 3.75Å; L340-L344 HydrophobicContact CG-CG 4.19Å; L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 WeakPolarHBondContact O-CG 3.42Å; L340-L344 PolarHBondContact O-N 2.85Å; L340-L358 HydrophobicContact CD1-CD2 3.9Å; L340-L358 HydrophobicContact CD2-CD1 4.5Å; L340-L358 HydrophobicContact CD2-CD2 4.21Å; L340-L369 HydrophobicContact CD2-CD2 3.46Å; L340-L369 VanDerWaalsContact CD2-CD2 3.46Å; L340-V427 HydrophobicContact CD1-CG1 4.19Å; L340-L459 HydrophobicContact CB-CD1 4.33Å; L340-L459 HydrophobicContact CD1-CD1 4.48Å
341D90.2Very high83.1Confident21 Ų2144.1 Ų44.111%0.11221%0.213CC..Hα-helixtrans-61.2-44.4176.6-175.365.1000111.5I331 L337 L339 I343 L344 A345 Y372 R376I331-D341 HydrophobicContact CG2-CB 4.17Å; L337-D341 WeakPolarHBondContact O-CB 3.47Å; L337-D341 PolarHBondContact O-N 2.85Å; L339-D341 PolarHBondContact O-N 3.09Å; D341-I343 VanDerWaalsContact C-N 3.34Å; D341-I343 PolarHBondContact O-N 3.31Å; D341-L344 PolarHBondContact O-N 3.01Å; D341-A345 WeakPolarHBondContact O-CB 3.28Å; D341-A345 PolarHBondContact O-N 3.01Å; D341-Y372 VanDerWaalsContact CA-OH 3.31Å; D341-Y372 WeakPolarHBondContact CA-OH 3.34Å; D341-Y372 HydrophobicContact CB-CE2 3.97Å; D341-Y372 VanDerWaalsContact OD1-CE2 3.29Å; D341-Y372 WeakPolarHBondContact OD1-CE2 3.03Å; D341-Y372 PolarHBondContact OD1-OH 2.75Å; D341-R376 IonicContact OD1-CZ 2.75Å; D341-R376 IonicContact OD1-NE 2.68Å; D341-R376 PolarHBondContact OD1-NE 3.16Å; D341-R376 IonicContact OD1-NH2 2.73Å; D341-R376 PolarHBondContact OD1-NH2 2.62Å; D341-R376 IonicContact OD2-CZ 3.16Å; D341-R376 IonicContact OD2-NE 3.47Å; D341-R376 IonicContact OD2-NH2 2.68Å; D341-R376 PolarHBondContact OD2-NH2 3.43Å
342S86.3Confident81.8Confident54 Ų5451.1 Ų51.138%0.37824%0.238SC..Hα-helixtrans-60-42.9174.4-57.70000111.9C338 L339 L340 F346 L528C338-S342 PolarHBondContact O-N 3.2Å; C338-S342 PolarHBondContact O-OG 2.92Å; L339-S342 WeakPolarHBondContact O-CB 3.28Å; L339-S342 PolarHBondContact O-N 3.07Å; L340-S342 VanDerWaalsContact C-N 3.35Å; L340-S342 PolarHBondContact O-N 3.48Å; S342-F346 PolarHBondContact O-N 3.01Å; S342-F346 VanDerWaalsContact O-N 3.15Å; S342-L528 VanDerWaalsContact O-CD1 3.22Å; S342-L528 WeakPolarHBondContact O-CD1 3.05Å
343I86.4Confident81Confident0 Ų046 Ų460%022%0.224CC..Hα-helixtrans-67.9-48.9178.3-69.6166.8000111.2L339 L340 D341 A345 F346 L347 L459 L528L339-I343 HydrophobicContact CD1-CD1 3.89Å; L339-I343 HydrophobicContact CD1-CG1 4.21Å; L339-I343 HydrophobicContact CD2-CD1 4.38Å; L339-I343 HydrophobicContact CG-CD1 3.79Å; L339-I343 HydrophobicContact CG-CG1 4.5Å; L339-I343 WeakPolarHBondContact O-CG1 3.42Å; L339-I343 PolarHBondContact O-N 3.2Å; L340-I343 PolarHBondContact O-N 2.99Å; D341-I343 VanDerWaalsContact C-N 3.34Å; D341-I343 PolarHBondContact O-N 3.31Å; I343-A345 PolarHBondContact O-N 2.65Å; I343-F346 WeakPolarHBondContact O-CB 3.31Å; I343-F346 PolarHBondContact O-N 3.1Å; I343-F346 VanDerWaalsContact O-N 3.15Å; I343-L347 HydrophobicContact CG2-CD1 3.72Å; I343-L347 HydrophobicContact CG2-CG 4.28Å; I343-L347 VanDerWaalsContact O-CG 3.3Å; I343-L347 WeakPolarHBondContact O-CG 3.29Å; I343-L347 PolarHBondContact O-N 3.19Å; I343-L459 HydrophobicContact CD1-CD2 3.97Å; I343-L528 HydrophobicContact CG1-CD1 4.14Å; I343-L528 HydrophobicContact CG1-CD2 3.82Å
344L89Confident80.9Confident0 Ų046 Ų460%022%0.223CC..Hα-helixtrans-64.4-41.1-179.7-70.1172.4000111.4L340 D341 F346 L347 Y348 V356 L358 Y372 M373 Y378 F405 V406L340-L344 HydrophobicContact CD1-CD1 3.91Å; L340-L344 HydrophobicContact CD1-CD2 4.48Å; L340-L344 HydrophobicContact CD1-CG 3.9Å; L340-L344 HydrophobicContact CD2-CD1 4.32Å; L340-L344 HydrophobicContact CG-CD1 3.75Å; L340-L344 HydrophobicContact CG-CG 4.19Å; L340-L344 WeakPolarHBondContact O-CB 3.39Å; L340-L344 WeakPolarHBondContact O-CG 3.42Å; L340-L344 PolarHBondContact O-N 2.85Å; D341-L344 PolarHBondContact O-N 3.01Å; L344-F346 VanDerWaalsContact C-N 3.26Å; L344-F346 PolarHBondContact O-N 3.39Å; L344-L347 PolarHBondContact O-N 2.82Å; L344-Y348 VanDerWaalsContact O-CB 3.28Å; L344-Y348 WeakPolarHBondContact O-CB 3.47Å; L344-Y348 PolarHBondContact O-N 2.88Å; L344-V356 HydrophobicContact CD2-CG1 4.35Å; L344-V356 HydrophobicContact CD2-CG2 4.31Å; L344-L358 HydrophobicContact CD1-CD1 4.42Å; L344-L358 HydrophobicContact CD2-CD1 4.49Å; L344-Y372 HydrophobicContact CD1-CE1 3.67Å; L344-M373 HydrophobicContact CD1-CE 3.47Å; L344-M373 VanDerWaalsContact CD1-CE 3.47Å; L344-M373 HydrophobicContact CD1-SD 4.41Å; L344-Y378 HydrophobicContact CB-CE2 4.21Å; L344-F405 HydrophobicContact CB-CE1 4.39Å; L344-F405 HydrophobicContact CD2-CE1 4.09Å; L344-F405 HydrophobicContact CD2-CZ 4.28Å; L344-V406 HydrophobicContact CD2-CG2 4.26Å
345A86.9Confident81Confident21 Ų2147.9 Ų47.917%0.17423%0.23CC..Hα-helixtrans-62.7-30.7174.400000112.7D341 I343 K349D341-A345 WeakPolarHBondContact O-CB 3.28Å; D341-A345 PolarHBondContact O-N 3.01Å; I343-A345 PolarHBondContact O-N 2.65Å; A345-K349 WeakPolarHBondContact O-CD 3.44Å; A345-K349 WeakPolarHBondContact O-CE 3.27Å; A345-K349 WeakPolarHBondContact O-CG 3.39Å; A345-K349 PolarHBondContact O-N 3.14Å
346F83.6Confident81.3Confident51 Ų5147.8 Ų47.822%0.22423%0.229CC..Hα-helixtrans-71-47.7170.9178.1-100.4000111.6S342 I343 L344 Y348 K349 L528 E529 L532 W540S342-F346 PolarHBondContact O-N 3.01Å; S342-F346 VanDerWaalsContact O-N 3.15Å; I343-F346 WeakPolarHBondContact O-CB 3.31Å; I343-F346 PolarHBondContact O-N 3.1Å; I343-F346 VanDerWaalsContact O-N 3.15Å; L344-F346 VanDerWaalsContact C-N 3.26Å; L344-F346 PolarHBondContact O-N 3.39Å; F346-Y348 VanDerWaalsContact C-N 3.28Å; F346-Y348 PolarHBondContact O-N 2.72Å; F346-K349 PolarHBondContact O-N 2.96Å; F346-L528 HydrophobicContact CB-CD1 4.34Å; F346-E529 HydrophobicContact CE2-CG 3.86Å; F346-L532 HydrophobicContact CD1-CD1 3.8Å; F346-L532 HydrophobicContact CE1-CD1 4.07Å; F346-W540 HydrophobicContact CE1-CH2 4.29Å; F346-W540 HydrophobicContact CE1-CZ3 4.41Å
347L84Confident81.4Confident0 Ų047.7 Ų47.70%023%0.229CC..Hα-helixtrans-65.6-27.7-179.3-65.3173.4000113.6I343 L344 H354 V356 F405 T425 W540I343-L347 HydrophobicContact CG2-CD1 3.72Å; I343-L347 HydrophobicContact CG2-CG 4.28Å; I343-L347 VanDerWaalsContact O-CG 3.3Å; I343-L347 WeakPolarHBondContact O-CG 3.29Å; I343-L347 PolarHBondContact O-N 3.19Å; L344-L347 PolarHBondContact O-N 2.82Å; L347-H354 HydrophobicContact CB-CB 4.22Å; L347-H354 HydrophobicContact CD2-CB 4.13Å; L347-H354 PolarHBondContact O-N 3.48Å; L347-V356 HydrophobicContact CD1-CG2 3.82Å; L347-F405 HydrophobicContact CB-CE2 4.22Å; L347-F405 HydrophobicContact CB-CZ 4Å; L347-T425 HydrophobicContact CD1-CG2 4Å; L347-T425 HydrophobicContact CD2-CG2 4.48Å; L347-W540 HydrophobicContact CD2-CH2 3.74Å; L347-W540 HydrophobicContact CD2-CZ2 3.47Å; L347-W540 VanDerWaalsContact CD2-CZ2 3.47Å
348Y83.5Confident81.6Confident128 Ų12847.7 Ų47.750%0.50223%0.229SC..Hα-helixtrans-80.5-28.2178.2-169.2-104000113.5L344 F346 G350 Y378 F405L344-Y348 VanDerWaalsContact O-CB 3.28Å; L344-Y348 WeakPolarHBondContact O-CB 3.47Å; L344-Y348 PolarHBondContact O-N 2.88Å; F346-Y348 VanDerWaalsContact C-N 3.28Å; F346-Y348 PolarHBondContact O-N 2.72Å; Y348-G350 PolarHBondContact O-N 3.19Å; Y348-Y378 HydrophobicContact CD1-CE1 4.01Å; Y348-Y378 AromaticContact CD2-CD1 3.93Å; Y348-Y378 HydrophobicContact CD2-CD1 3.93Å; Y348-Y378 AromaticContact CD2-CE1 3.84Å; Y348-Y378 HydrophobicContact CD2-CE1 3.84Å; Y348-Y378 HydrophobicContact CE1-CE1 4.43Å; Y348-Y378 HydrophobicContact CE2-CD1 4.07Å; Y348-Y378 HydrophobicContact CE2-CE1 4.27Å; Y348-Y378 HydrophobicContact CG-CD1 4.28Å; Y348-Y378 AromaticContact CG-CE1 3.7Å; Y348-Y378 HydrophobicContact CG-CE1 3.7Å; Y348-F405 AromaticContact CD2-CD1 3.87Å; Y348-F405 HydrophobicContact CD2-CD1 3.87Å; Y348-F405 HydrophobicContact CD2-CD2 4.06Å; Y348-F405 AromaticContact CD2-CE1 3.9Å; Y348-F405 HydrophobicContact CD2-CE1 3.9Å; Y348-F405 HydrophobicContact CD2-CE2 4.1Å; Y348-F405 AromaticContact CD2-CG 3.98Å; Y348-F405 HydrophobicContact CD2-CG 3.98Å; Y348-F405 HydrophobicContact CD2-CZ 4.03Å; Y348-F405 HydrophobicContact CG-CE1 4.4Å; Y348-F405 HydrophobicContact CG-CZ 4.36Å
349K70.7Confident81.9Confident171 Ų17145.9 Ų45.974%0.74322%0.216SC*.SBendtrans-73.1-2.9-175.8-79.6167.7-170169.60115.1A345 F346A345-K349 WeakPolarHBondContact O-CD 3.44Å; A345-K349 WeakPolarHBondContact O-CE 3.27Å; A345-K349 WeakPolarHBondContact O-CG 3.39Å; A345-K349 PolarHBondContact O-N 3.14Å; F346-K349 PolarHBondContact O-N 2.96Å
350G60Low82.1Confident31 Ų3145.4 Ų45.432%0.3221%0.214SC..SBendtrans-71.9141.5179.200000113.6Y348 R352Y348-G350 PolarHBondContact O-N 3.19Å; G350-R352 CarbonylContact C-O 3.07Å; G350-R352 CarbonylContact O-C 3.55Å; G350-R352 PolarHBondContact O-N 2.82Å; G350-R352 VanDerWaalsContact O-N 3.07Å
351R49.3Very low82.1Confident235 Ų23546.9 Ų46.989%0.88722%0.221SC*.SBendtrans-56.8-23.3173.9-76.9-176.4171.7-174.3-2.1113.9
352R57.7Low82Confident159 Ų15947.5 Ų47.560%0.622%0.224SC*.SBendtrans-120.3126.7155.8-70.9172.2166.4167-4105.9G350 D537 G538G350-R352 CarbonylContact C-O 3.07Å; G350-R352 CarbonylContact O-C 3.55Å; G350-R352 PolarHBondContact O-N 2.82Å; G350-R352 VanDerWaalsContact O-N 3.07Å; R352-D537 WeakPolarHBondContact CD-O 3.33Å; R352-G538 WeakPolarHBondContact O-CA 3.4Å
353G67.9Low82.2Confident36 Ų3648.3 Ų48.337%0.37123%0.226SC..  trans-62.4141.5175.300000111.3
354H84.9Confident82.4Confident5 Ų553.2 Ų53.22%0.02325%0.245CC..  trans-67.8162.1159.1-75.5-66.7000109.9L347 F405 D424 S535 G538 W540L347-H354 HydrophobicContact CB-CB 4.22Å; L347-H354 HydrophobicContact CD2-CB 4.13Å; L347-H354 PolarHBondContact O-N 3.48Å; H354-F405 VanDerWaalsContact O-CD2 3.22Å; H354-F405 WeakPolarHBondContact O-CD2 3.47Å; H354-F405 WeakPolarHBondContact O-CE2 3.31Å; H354-D424 WeakPolarHBondContact CB-OD1 3.38Å; H354-D424 IonicContact CE1-OD2 3.25Å; H354-D424 IonicContact CG-OD1 2.8Å; H354-D424 IonicContact CG-OD2 3.08Å; H354-D424 IonicContact ND1-OD1 2.76Å; H354-D424 PolarHBondContact ND1-OD1 2.85Å; H354-D424 IonicContact ND1-OD2 3.38Å; H354-D424 PolarHBondContact ND1-OD2 2.92Å; H354-S535 PolarHBondContact NE2-OG 3.14Å; H354-G538 PolarHBondContact CE1-O 3.42Å; H354-W540 AromaticContact CE1-NE1 3.89Å
355R89.4Confident82.5Confident40 Ų4053.2 Ų53.215%0.15125%0.245CC..  trans-125.3120.6177-76.4-173.8-179.8-159.310.7109.7F399 K402 D403 A422 A423 D424 T425R355-F399 HydrophobicContact CB-CZ 4.21Å; R355-F399 PolarHBondContact NH1-O 2.8Å; R355-K402 PolarHBondContact NH1-O 2.86Å; R355-K402 VanDerWaalsContact NH1-O 3.16Å; R355-K402 PolarHBondContact NH2-O 3.45Å; R355-D403 IonicContact CZ-OD1 2.82Å; R355-D403 IonicContact NE-OD1 3.59Å; R355-D403 PolarHBondContact NE-OD1 3.1Å; R355-D403 IonicContact NH2-OD1 3.44Å; R355-D403 PolarHBondContact NH2-OD1 3.1Å; R355-A422 VanDerWaalsContact CD-O 3.28Å; R355-A422 WeakPolarHBondContact CD-O 3.49Å; R355-A423 WeakPolarHBondContact O-CA 3.09Å; R355-A423 WeakPolarHBondContact O-CB 3.27Å; R355-D424 PolarHBondContact N-OD1 2.93Å; R355-D424 PolarHBondContact O-N 3.3Å; R355-T425 PolarHBondContact O-N 2.77Å; R355-T425 VanDerWaalsContact O-N 3.13Å
356V91.8Very high82.8Confident0 Ų052.2 Ų52.20%024%0.236CC..EExtended strand (participates in β ladder)trans-111.2124.5-161.2-1670000111.1L344 L347 L358 F405 V406 F407 T425 V427L344-V356 HydrophobicContact CD2-CG1 4.35Å; L344-V356 HydrophobicContact CD2-CG2 4.31Å; L347-V356 HydrophobicContact CD1-CG2 3.82Å; V356-L358 HydrophobicContact CG1-CG 4.36Å; V356-F405 HydrophobicContact CG2-CE2 4.13Å; V356-F405 HydrophobicContact CG2-CZ 4.28Å; V356-F405 PolarHBondContact N-O 3.2Å; V356-V406 HydrophobicContact CB-CG2 4.33Å; V356-V406 CarbonylContact O-C 3.6Å; V356-V406 WeakPolarHBondContact O-CA 3.11Å; V356-F407 PolarHBondContact O-N 3.46Å; V356-T425 CarbonylContact C-O 3.57Å; V356-T425 WeakPolarHBondContact CA-O 3.44Å; V356-V427 HydrophobicContact CG1-CB 4.46Å; V356-V427 HydrophobicContact CG1-CG2 3.77Å
357L93.3Very high83.2Confident0 Ų052.8 Ų52.80%024%0.242CC..EExtended strand (participates in β ladder)trans-91.7121.6163.7-53.4-175.8000108.5F359 F399 F407 L409 L420 A423 T425 V426 V427 C445L357-F359 HydrophobicContact CB-CE2 3.93Å; L357-F359 HydrophobicContact CB-CZ 4.31Å; L357-F359 HydrophobicContact CD1-CE2 4.29Å; L357-F359 HydrophobicContact CD1-CZ 4.25Å; L357-F399 HydrophobicContact CD2-CE1 3.87Å; L357-F399 HydrophobicContact CD2-CZ 3.8Å; L357-F407 HydrophobicContact CD2-CB 3.69Å; L357-F407 HydrophobicContact CD2-CD1 4.28Å; L357-F407 HydrophobicContact CD2-CG 4.43Å; L357-L409 HydrophobicContact CB-CD1 4.28Å; L357-L409 HydrophobicContact CD1-CD1 4.4Å; L357-L409 HydrophobicContact CD2-CD1 4.15Å; L357-L420 HydrophobicContact CD1-CB 3.91Å; L357-L420 HydrophobicContact CD1-CD1 3.86Å; L357-L420 HydrophobicContact CD2-CB 4.47Å; L357-L420 HydrophobicContact CD2-CD1 4.23Å; L357-A423 HydrophobicContact CD1-CB 4.03Å; L357-A423 HydrophobicContact CD2-CB 3.76Å; L357-A423 HydrophobicContact CG-CB 3.56Å; L357-T425 PolarHBondContact N-O 3.41Å; L357-V426 HydrophobicContact CB-CG2 4.39Å; L357-V426 HydrophobicContact CD1-CG2 4.28Å; L357-V426 CarbonylContact O-C 3.3Å; L357-V426 WeakPolarHBondContact O-CA 3.42Å; L357-V427 PolarHBondContact O-N 2.76Å; L357-C445 HydrophobicContact CD1-CB 4.01Å
358L93.8Very high83.5Confident0 Ų053.4 Ų53.40%025%0.245CC..EExtended strand (participates in β ladder)trans-105.4116.9175.7-93.6164.3000109.4L340 L344 V356 M373 V406 F407 L408 L409 V427 V429L340-L358 HydrophobicContact CD1-CD2 3.9Å; L340-L358 HydrophobicContact CD2-CD1 4.5Å; L340-L358 HydrophobicContact CD2-CD2 4.21Å; L344-L358 HydrophobicContact CD1-CD1 4.42Å; L344-L358 HydrophobicContact CD2-CD1 4.49Å; V356-L358 HydrophobicContact CG1-CG 4.36Å; L358-M373 HydrophobicContact CD1-CE 3.44Å; L358-M373 VanDerWaalsContact CD1-CE 3.44Å; L358-V406 HydrophobicContact CD1-CG1 3.9Å; L358-F407 PolarHBondContact N-O 3.44Å; L358-L408 HydrophobicContact CB-CD2 3.91Å; L358-L408 HydrophobicContact CD1-CD2 4.01Å; L358-L409 PolarHBondContact O-N 2.96Å; L358-V427 WeakPolarHBondContact CA-O 3.5Å; L358-V427 HydrophobicContact CD2-CB 3.66Å; L358-V427 HydrophobicContact CD2-CG1 3.67Å; L358-V427 HydrophobicContact CG-CB 4.32Å; L358-V429 HydrophobicContact CD2-CG2 3.45Å; L358-V429 VanDerWaalsContact CD2-CG2 3.45Å
359F93.6Very high83.9Confident0 Ų047.3 Ų47.30%022%0.221CC..EExtended strand (participates in β ladder)trans-105.1133.8179.9-70.8-68.7000112L357 L409 V426 V427 F428 V429 A441L357-F359 HydrophobicContact CB-CE2 3.93Å; L357-F359 HydrophobicContact CB-CZ 4.31Å; L357-F359 HydrophobicContact CD1-CE2 4.29Å; L357-F359 HydrophobicContact CD1-CZ 4.25Å; F359-L409 WeakPolarHBondContact CA-O 3.23Å; F359-L409 HydrophobicContact CD1-CB 3.61Å; F359-L409 HydrophobicContact CD1-CD1 4.27Å; F359-L409 HydrophobicContact CE1-CB 3.51Å; F359-L409 HydrophobicContact CE1-CD1 3.42Å; F359-L409 VanDerWaalsContact CE1-CD1 3.42Å; F359-L409 HydrophobicContact CE1-CG 4.11Å; F359-L409 HydrophobicContact CZ-CB 4.46Å; F359-L409 HydrophobicContact CZ-CD1 3.6Å; F359-V426 HydrophobicContact CD2-CG1 3.65Å; F359-V426 HydrophobicContact CE2-CG1 3.61Å; F359-V427 PolarHBondContact N-O 2.85Å; F359-F428 HydrophobicContact CB-CD1 3.64Å; F359-F428 HydrophobicContact CB-CE1 3.79Å; F359-F428 HydrophobicContact CB-CG 4.43Å; F359-F428 HydrophobicContact CD2-CD1 4.27Å; F359-F428 AromaticContact CD2-CE1 3.78Å; F359-F428 HydrophobicContact CD2-CE1 3.78Å; F359-F428 HydrophobicContact CD2-CE2 4.49Å; F359-F428 AromaticContact CD2-CZ 3.9Å; F359-F428 HydrophobicContact CD2-CZ 3.9Å; F359-F428 HydrophobicContact CE2-CZ 4.43Å; F359-F428 HydrophobicContact CG-CD1 4.26Å; F359-F428 AromaticContact CG-CE1 3.92Å; F359-F428 HydrophobicContact CG-CE1 3.92Å; F359-F428 HydrophobicContact CG-CZ 4.48Å; F359-V429 WeakPolarHBondContact O-CB 3.25Å; F359-V429 PolarHBondContact O-N 3.15Å; F359-A441 HydrophobicContact CD1-CB 4.26Å; F359-A441 HydrophobicContact CD2-CB 4.43Å; F359-A441 HydrophobicContact CE1-CB 3.9Å; F359-A441 HydrophobicContact CE2-CB 4.07Å; F359-A441 HydrophobicContact CZ-CB 3.8Å
360S92.5Very high84.9Confident0 Ų041.2 Ų41.20%020%0.195CC..EExtended strand (participates in β ladder)trans-143.9149.1167.4171.80000111.4M362 L409 S410 T411 D430S360-M362 PolarHBondContact OG-N 3.05Å; S360-M362 VanDerWaalsContact OG-N 3.12Å; S360-M362 PolarHBondContact OG-O 3.26Å; S360-L409 PolarHBondContact N-O 2.84Å; S360-S410 CarbonylContact O-C 3.59Å; S360-S410 WeakPolarHBondContact O-CA 3.23Å; S360-T411 PolarHBondContact O-N 2.84Å; S360-T411 PolarHBondContact O-OG1 3.21Å; S360-D430 WeakPolarHBondContact CA-OD2 3.45Å; S360-D430 WeakPolarHBondContact CB-OD2 3.4Å; S360-D430 PolarHBondContact OG-OD2 3.29Å
361Q89.6Confident86.3Confident33 Ų3342.8 Ų42.815%0.15420%0.196CC..SBendtrans-78.7-29.6171.6-66.6-75.6-13.400112.4D430 D432Q361-D430 WeakPolarHBondContact CB-OD1 3.41Å; Q361-D430 WeakPolarHBondContact CG-OD1 3.36Å; Q361-D430 PolarHBondContact N-OD1 3.14Å; Q361-D430 PolarHBondContact N-OD2 2.97Å; Q361-D432 VanDerWaalsContact NE2-CB 3.3Å; Q361-D432 PolarHBondContact NE2-OD2 3.18Å
362M88.6Confident88.3Confident34 Ų3431.6 Ų31.617%0.16715%0.154CC..  trans-94.3113.9-174.3-55.9-135.6-158.700110.9R307 K308 D311 L315 S360 R364 M365 L366R307-M362 HydrophobicContact CB-CE 3.79Å; K308-M362 HydrophobicContact CB-CE 4.48Å; K308-M362 HydrophobicContact CG-CE 3.83Å; K308-M362 HydrophobicContact CG-SD 3.74Å; D311-M362 WeakPolarHBondContact OD2-CE 3.47Å; L315-M362 HydrophobicContact CD1-SD 4.35Å; S360-M362 PolarHBondContact OG-N 3.05Å; S360-M362 VanDerWaalsContact OG-N 3.12Å; S360-M362 PolarHBondContact OG-O 3.26Å; M362-R364 VanDerWaalsContact C-N 3.29Å; M362-R364 PolarHBondContact O-N 3.47Å; M362-M365 HydrophobicContact CB-CB 3.94Å; M362-M365 WeakPolarHBondContact O-CB 3.36Å; M362-M365 PolarHBondContact O-N 3.05Å; M362-L366 PolarHBondContact O-N 2.87Å
363T90.1Very high89.9Confident70 Ų7024 Ų2443%0.42913%0.126SC..Hα-helixtrans-62.3-35.3178.651.20000112.7M365 L366 D367 D384T363-M365 PolarHBondContact O-N 2.99Å; T363-L366 CarbonylContact O-C 3.6Å; T363-L366 WeakPolarHBondContact O-CA 3.26Å; T363-L366 WeakPolarHBondContact O-CB 3.28Å; T363-L366 PolarHBondContact O-N 3.35Å; T363-D367 VanDerWaalsContact O-CG 3.24Å; T363-D367 PolarHBondContact O-N 3.09Å; T363-D384 HydrophobicContact CG2-CB 4.23Å
364R90.4Very high90.9Very high104 Ų10428.1 Ų28.139%0.39214%0.135SC..Hα-helixtrans-61.8-25.3171.4-79.2-175.766.3164.1-0.5114Y314 L315 D317 M362 D367 I368Y314-R364 PolarHBondContact O-NH2 3.14Å; Y314-R364 VanDerWaalsContact O-NH2 3.14Å; L315-R364 HydrophobicContact CD2-CB 3.4Å; L315-R364 VanDerWaalsContact CD2-CB 3.4Å; D317-R364 IonicContact OD1-CZ 2.9Å; D317-R364 IonicContact OD1-NH1 3.77Å; D317-R364 PolarHBondContact OD1-NH1 2.87Å; D317-R364 IonicContact OD1-NH2 3.8Å; D317-R364 PolarHBondContact OD1-NH2 2.71Å; D317-R364 IonicContact OD2-NH1 3.35Å; M362-R364 VanDerWaalsContact C-N 3.29Å; M362-R364 PolarHBondContact O-N 3.47Å; R364-D367 VanDerWaalsContact CA-OD2 3.31Å; R364-D367 WeakPolarHBondContact CA-OD2 3.39Å; R364-I368 WeakPolarHBondContact O-CG1 3.48Å; R364-I368 PolarHBondContact O-N 2.88Å
365M91.6Very high91Very high0 Ų031.9 Ų31.90%015%0.15CC..Hα-helixtrans-78.5-31.6172.7-170.358.1-173.200111.2D311 H312 L315 L337 M362 T363 D367 I368 L369 V429D311-M365 HydrophobicContact CB-SD 4.33Å; H312-M365 HydrophobicContact CB-CE 4.21Å; H312-M365 HydrophobicContact CB-SD 3.7Å; L315-M365 HydrophobicContact CD1-CB 4.47Å; L315-M365 HydrophobicContact CD1-SD 4.46Å; L315-M365 HydrophobicContact CD2-CB 4.44Å; L337-M365 HydrophobicContact CD2-CE 3.78Å; L337-M365 HydrophobicContact CG-CE 4.11Å; M362-M365 HydrophobicContact CB-CB 3.94Å; M362-M365 WeakPolarHBondContact O-CB 3.36Å; M362-M365 PolarHBondContact O-N 3.05Å; T363-M365 PolarHBondContact O-N 2.99Å; M365-D367 VanDerWaalsContact C-N 3.31Å; M365-I368 HydrophobicContact SD-CB 4.38Å; M365-I368 HydrophobicContact SD-CD1 4.46Å; M365-I368 HydrophobicContact SD-CG2 4.27Å; M365-L369 HydrophobicContact CE-CG 4.37Å; M365-L369 HydrophobicContact CG-CD1 4.28Å; M365-L369 WeakPolarHBondContact O-CB 3.31Å; M365-L369 WeakPolarHBondContact O-CD1 3.43Å; M365-L369 WeakPolarHBondContact O-CG 3.42Å; M365-L369 PolarHBondContact O-N 2.95Å; M365-V429 HydrophobicContact CE-CG1 4.12Å; M365-V429 HydrophobicContact CG-CG1 4.33Å
366L92.7Very high90.8Very high0 Ų034 Ų340%016%0.158CC..Hα-helixtrans-66.6-33.4169-59.6177.7000112.1M362 T363 L369 Q370 L408M362-L366 PolarHBondContact O-N 2.87Å; T363-L366 CarbonylContact O-C 3.6Å; T363-L366 WeakPolarHBondContact O-CA 3.26Å; T363-L366 WeakPolarHBondContact O-CB 3.28Å; T363-L366 PolarHBondContact O-N 3.35Å; L366-L369 HydrophobicContact CD2-CD1 4.39Å; L366-L369 PolarHBondContact O-N 2.91Å; L366-Q370 WeakPolarHBondContact O-CG 3.24Å; L366-Q370 PolarHBondContact O-N 3.23Å; L366-Q370 VanDerWaalsContact O-N 3.11Å; L366-L408 HydrophobicContact CD2-CB 4.38Å
367D91.1Very high90.5Very high62 Ų6236.9 Ų36.933%0.33219%0.187SC..Hα-helixtrans-61.6-56.7173.2-54-26.8000109.9T363 R364 M365 L369 Q370 D371 R382T363-D367 VanDerWaalsContact O-CG 3.24Å; T363-D367 PolarHBondContact O-N 3.09Å; R364-D367 VanDerWaalsContact CA-OD2 3.31Å; R364-D367 WeakPolarHBondContact CA-OD2 3.39Å; M365-D367 VanDerWaalsContact C-N 3.31Å; D367-L369 PolarHBondContact O-N 3.28Å; D367-L369 VanDerWaalsContact O-N 3.17Å; D367-Q370 WeakPolarHBondContact O-CA 3.44Å; D367-Q370 WeakPolarHBondContact O-CB 3.45Å; D367-Q370 PolarHBondContact O-N 3.16Å; D367-D371 PolarHBondContact O-N 3.12Å; D367-R382 IonicContact OD1-CZ 3.74Å; D367-R382 IonicContact OD1-NH1 3.08Å; D367-R382 PolarHBondContact OD1-NH1 3.33Å; D367-R382 IonicContact OD1-NH2 3.9Å; D367-R382 PolarHBondContact OD1-NH2 2.91Å
368I91.2Very high90.4Very high13 Ų1338.1 Ų38.17%0.06719%0.192CC..Hα-helixtrans-53.9-37.2174.8-71.9166.5000112.7H312 L315 L330 L337 R364 M365 Q370 D371 Y372H312-I368 HydrophobicContact CB-CD1 3.98Å; L315-I368 HydrophobicContact CD2-CD1 3.71Å; L315-I368 HydrophobicContact CG-CD1 4.03Å; L330-I368 HydrophobicContact CD1-CG2 4.12Å; L337-I368 HydrophobicContact CD1-CG2 3.97Å; R364-I368 WeakPolarHBondContact O-CG1 3.48Å; R364-I368 PolarHBondContact O-N 2.88Å; M365-I368 HydrophobicContact SD-CB 4.38Å; M365-I368 HydrophobicContact SD-CD1 4.46Å; M365-I368 HydrophobicContact SD-CG2 4.27Å; I368-Q370 VanDerWaalsContact C-N 3.32Å; I368-Q370 PolarHBondContact O-N 2.94Å; I368-D371 PolarHBondContact O-N 2.87Å; I368-Y372 PolarHBondContact O-N 2.85Å; I368-Y372 VanDerWaalsContact O-N 3.13Å
369L92Very high90.2Very high0 Ų040.6 Ų40.60%021%0.209CC..Hα-helixtrans-70.9-23.1176.1-75.2166.1000113.1L337 L340 M365 L366 D367 M373 L408 V429L337-L369 HydrophobicContact CD2-CD2 3.65Å; L340-L369 HydrophobicContact CD2-CD2 3.46Å; L340-L369 VanDerWaalsContact CD2-CD2 3.46Å; M365-L369 HydrophobicContact CE-CG 4.37Å; M365-L369 HydrophobicContact CG-CD1 4.28Å; M365-L369 WeakPolarHBondContact O-CB 3.31Å; M365-L369 WeakPolarHBondContact O-CD1 3.43Å; M365-L369 WeakPolarHBondContact O-CG 3.42Å; M365-L369 PolarHBondContact O-N 2.95Å; L366-L369 HydrophobicContact CD2-CD1 4.39Å; L366-L369 PolarHBondContact O-N 2.91Å; D367-L369 PolarHBondContact O-N 3.28Å; D367-L369 VanDerWaalsContact O-N 3.17Å; L369-M373 WeakPolarHBondContact O-CB 3.41Å; L369-M373 WeakPolarHBondContact O-CG 3.41Å; L369-M373 PolarHBondContact O-N 2.69Å; L369-L408 HydrophobicContact CB-CD1 4.4Å; L369-L408 HydrophobicContact CB-CD2 4.04Å; L369-V429 HydrophobicContact CD1-CG2 4.14Å
370Q91.8Very high90.2Very high43 Ų4343.1 Ų43.120%0.20122%0.219CC..Hα-helixtrans-71.1-48.2170.4-70.7-174.7-63.700110.8L366 D367 I368 Y372 M373 E374 Y380 L408L366-Q370 WeakPolarHBondContact O-CG 3.24Å; L366-Q370 PolarHBondContact O-N 3.23Å; L366-Q370 VanDerWaalsContact O-N 3.11Å; D367-Q370 WeakPolarHBondContact O-CA 3.44Å; D367-Q370 WeakPolarHBondContact O-CB 3.45Å; D367-Q370 PolarHBondContact O-N 3.16Å; I368-Q370 VanDerWaalsContact C-N 3.32Å; I368-Q370 PolarHBondContact O-N 2.94Å; Q370-Y372 VanDerWaalsContact C-N 3.27Å; Q370-Y372 PolarHBondContact O-N 3.45Å; Q370-M373 WeakPolarHBondContact O-CA 3.39Å; Q370-M373 PolarHBondContact O-N 2.68Å; Q370-E374 PolarHBondContact O-N 2.93Å; Q370-Y380 HydrophobicContact CB-CE2 4.44Å; Q370-Y380 HydrophobicContact CG-CD2 4.47Å; Q370-Y380 HydrophobicContact CG-CE2 3.86Å; Q370-Y380 VanDerWaalsContact NE2-CE2 3.32Å; Q370-L408 HydrophobicContact CG-CD1 3.48Å; Q370-L408 VanDerWaalsContact CG-CD1 3.48Å
371D89.6Confident90.1Very high65 Ų6545 Ų4535%0.34823%0.228SC..Hα-helixtrans-58.4-41.8179.7-52.8-46.2000111.2L330 D367 I368 Y375L330-D371 HydrophobicContact CD2-CB 4.39Å; D367-D371 PolarHBondContact O-N 3.12Å; I368-D371 PolarHBondContact O-N 2.87Å; D371-Y375 WeakPolarHBondContact O-CB 3.4Å; D371-Y375 PolarHBondContact O-N 2.83Å
372Y90.8Very high90.2Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-61.8-40.2172165-93.7000113.5I331 D341 L344 I368 Q370 Y375 R376 Y378I331-Y372 HydrophobicContact CD1-CD2 4.09Å; I331-Y372 HydrophobicContact CD1-CE2 3.85Å; I331-Y372 HydrophobicContact CG1-CD2 4Å; I331-Y372 HydrophobicContact CG1-CE2 4.13Å; D341-Y372 VanDerWaalsContact CA-OH 3.31Å; D341-Y372 WeakPolarHBondContact CA-OH 3.34Å; D341-Y372 HydrophobicContact CB-CE2 3.97Å; D341-Y372 VanDerWaalsContact OD1-CE2 3.29Å; D341-Y372 WeakPolarHBondContact OD1-CE2 3.03Å; D341-Y372 PolarHBondContact OD1-OH 2.75Å; L344-Y372 HydrophobicContact CD1-CE1 3.67Å; I368-Y372 PolarHBondContact O-N 2.85Å; I368-Y372 VanDerWaalsContact O-N 3.13Å; Q370-Y372 VanDerWaalsContact C-N 3.27Å; Q370-Y372 PolarHBondContact O-N 3.45Å; Y372-Y375 WeakPolarHBondContact O-CB 3.29Å; Y372-Y375 PolarHBondContact O-N 3.16Å; Y372-R376 HydrophobicContact CD2-CG 4.33Å; Y372-R376 HydrophobicContact CE2-CG 3.64Å; Y372-R376 PolarHBondContact O-N 3.41Å; Y372-Y378 HydrophobicContact CE1-CD2 4.39Å; Y372-Y378 HydrophobicContact CE1-CE2 4.36Å
373M90.5Very high90.1Very high0 Ų044.1 Ų44.10%022%0.221CC..Hα-helixtrans-73.2-37179.7-65.9-83.3169.600111.9L344 L358 L369 Q370 G377 Y378 Y380 V406 L408L344-M373 HydrophobicContact CD1-CE 3.47Å; L344-M373 VanDerWaalsContact CD1-CE 3.47Å; L344-M373 HydrophobicContact CD1-SD 4.41Å; L358-M373 HydrophobicContact CD1-CE 3.44Å; L358-M373 VanDerWaalsContact CD1-CE 3.44Å; L369-M373 WeakPolarHBondContact O-CB 3.41Å; L369-M373 WeakPolarHBondContact O-CG 3.41Å; L369-M373 PolarHBondContact O-N 2.69Å; Q370-M373 WeakPolarHBondContact O-CA 3.39Å; Q370-M373 PolarHBondContact O-N 2.68Å; M373-G377 PolarHBondContact O-N 3Å; M373-Y378 PolarHBondContact O-N 3.44Å; M373-Y378 HydrophobicContact SD-CD2 3.78Å; M373-Y378 HydrophobicContact SD-CG 4.24Å; M373-Y380 HydrophobicContact CB-CD1 3.42Å; M373-Y380 VanDerWaalsContact CB-CD1 3.42Å; M373-Y380 HydrophobicContact CB-CE1 3.72Å; M373-Y380 HydrophobicContact CB-CG 4.28Å; M373-Y380 HydrophobicContact CG-CD1 4.18Å; M373-V406 HydrophobicContact CE-CB 4.41Å; M373-V406 HydrophobicContact CE-CG1 3.9Å; M373-V406 HydrophobicContact CE-CG2 3.94Å; M373-V406 HydrophobicContact SD-CB 4.2Å; M373-V406 HydrophobicContact SD-CG1 4.16Å; M373-V406 HydrophobicContact SD-CG2 3.87Å; M373-L408 HydrophobicContact CE-CD2 4.4Å
374E89.1Confident89.9Confident121 Ų12141 Ų4157%0.56520%0.202SC*.Hα-helixtrans-62.8-44.4170.2-68-163.6-172.400110.5Q370 R376 G377 Y380Q370-E374 PolarHBondContact O-N 2.93Å; E374-R376 PolarHBondContact O-N 3.37Å; E374-G377 PolarHBondContact O-N 3.28Å; E374-G377 VanDerWaalsContact O-N 3.1Å; E374-Y380 HydrophobicContact CG-CE1 3.98Å; E374-Y380 WeakPolarHBondContact CG-OH 3.43Å; E374-Y380 PolarHBondContact OE1-OH 3.43Å
375Y87Confident89.3Confident85 Ų8539.1 Ų39.133%0.33322%0.215SC..Hα-helixtrans-57.6-46.5177-174.3-119.5000113.7I326 E328 I331 D371 Y372 G377I326-Y375 HydrophobicContact CG2-CD2 3.77Å; I326-Y375 HydrophobicContact CG2-CG 3.93Å; E328-Y375 HydrophobicContact CG-CE1 4.1Å; E328-Y375 WeakPolarHBondContact CG-OH 3.46Å; I331-Y375 HydrophobicContact CD1-CD1 4.39Å; I331-Y375 HydrophobicContact CD1-CE1 4.33Å; D371-Y375 WeakPolarHBondContact O-CB 3.4Å; D371-Y375 PolarHBondContact O-N 2.83Å; Y372-Y375 WeakPolarHBondContact O-CB 3.29Å; Y372-Y375 PolarHBondContact O-N 3.16Å; Y375-G377 VanDerWaalsContact C-N 3.3Å
376R85.5Confident88.5Confident85 Ų8543.8 Ų43.832%0.32125%0.247SC..Hα-helixtrans-83-3.7177.7-67.1-57-155.2-150.97.1113.4E328 I331 D341 Y372 E374 Y378E328-R376 IonicContact OE1-NH1 2.69Å; E328-R376 PolarHBondContact OE1-NH1 2.99Å; I331-R376 VanDerWaalsContact CD1-CZ 3.49Å; D341-R376 IonicContact OD1-CZ 2.75Å; D341-R376 IonicContact OD1-NE 2.68Å; D341-R376 PolarHBondContact OD1-NE 3.16Å; D341-R376 IonicContact OD1-NH2 2.73Å; D341-R376 PolarHBondContact OD1-NH2 2.62Å; D341-R376 IonicContact OD2-CZ 3.16Å; D341-R376 IonicContact OD2-NE 3.47Å; D341-R376 IonicContact OD2-NH2 2.68Å; D341-R376 PolarHBondContact OD2-NH2 3.43Å; Y372-R376 HydrophobicContact CD2-CG 4.33Å; Y372-R376 HydrophobicContact CE2-CG 3.64Å; Y372-R376 PolarHBondContact O-N 3.41Å; E374-R376 PolarHBondContact O-N 3.37Å; R376-Y378 HydrophobicContact CB-CD2 3.61Å; R376-Y378 HydrophobicContact CB-CE2 3.45Å; R376-Y378 VanDerWaalsContact CB-CE2 3.45Å; R376-Y378 HydrophobicContact CB-CG 4.32Å; R376-Y378 HydrophobicContact CG-CE2 4.03Å
377G86.8Confident87.8Confident60 Ų6045 Ų4562%0.61926%0.255SS*.THydrogen-bonded Turntrans70.824.1178.900000114.8M373 E374 Y375M373-G377 PolarHBondContact O-N 3Å; E374-G377 PolarHBondContact O-N 3.28Å; E374-G377 VanDerWaalsContact O-N 3.1Å; Y375-G377 VanDerWaalsContact C-N 3.3Å
378Y89.7Confident87.2Confident25 Ų2551 Ų5110%0.09827%0.273CS..  trans-80.9137.7-179.5-66.1-46.8000111.9L344 Y348 Y372 M373 R376 Y380 F405L344-Y378 HydrophobicContact CB-CE2 4.21Å; Y348-Y378 HydrophobicContact CD1-CE1 4.01Å; Y348-Y378 AromaticContact CD2-CD1 3.93Å; Y348-Y378 HydrophobicContact CD2-CD1 3.93Å; Y348-Y378 AromaticContact CD2-CE1 3.84Å; Y348-Y378 HydrophobicContact CD2-CE1 3.84Å; Y348-Y378 HydrophobicContact CE1-CE1 4.43Å; Y348-Y378 HydrophobicContact CE2-CD1 4.07Å; Y348-Y378 HydrophobicContact CE2-CE1 4.27Å; Y348-Y378 HydrophobicContact CG-CD1 4.28Å; Y348-Y378 AromaticContact CG-CE1 3.7Å; Y348-Y378 HydrophobicContact CG-CE1 3.7Å; Y372-Y378 HydrophobicContact CE1-CD2 4.39Å; Y372-Y378 HydrophobicContact CE1-CE2 4.36Å; M373-Y378 PolarHBondContact O-N 3.44Å; M373-Y378 HydrophobicContact SD-CD2 3.78Å; M373-Y378 HydrophobicContact SD-CG 4.24Å; R376-Y378 HydrophobicContact CB-CD2 3.61Å; R376-Y378 HydrophobicContact CB-CE2 3.45Å; R376-Y378 VanDerWaalsContact CB-CE2 3.45Å; R376-Y378 HydrophobicContact CB-CG 4.32Å; R376-Y378 HydrophobicContact CG-CE2 4.03Å; Y378-Y380 WeakPolarHBondContact O-CD1 3.4Å; Y378-Y380 PolarHBondContact O-N 3.2Å; Y378-F405 AromaticContact CD1-CD1 3.84Å; Y378-F405 HydrophobicContact CD1-CD1 3.84Å; Y378-F405 AromaticContact CD1-CE1 3.98Å; Y378-F405 HydrophobicContact CD1-CE1 3.98Å; Y378-F405 HydrophobicContact CE1-CD1 4.42Å; Y378-F405 HydrophobicContact CE1-CE1 4.11Å; Y378-F405 HydrophobicContact CG-CD1 4.03Å; Y378-F405 HydrophobicContact CG-CE1 4.26Å
379S90.3Very high86.2Confident53 Ų5351.9 Ų51.937%0.37129%0.285SS..  trans-74.9121.8173.859.90000111.2I404 F405 V406S379-I404 WeakPolarHBondContact O-CG2 3.46Å; S379-F405 PolarHBondContact O-N 3.06Å; S379-F405 PolarHBondContact OG-N 2.95Å; S379-V406 PolarHBondContact O-N 2.94Å; S379-V406 VanDerWaalsContact O-N 3.1Å
380Y92.5Very high85.5Confident53 Ų5359.3 Ų59.321%0.20832%0.319CS..EExtended strand (participates in β ladder)trans-132.6163.1177.166.3-90.7000114Q370 M373 E374 Y378 V406 L408Q370-Y380 HydrophobicContact CB-CE2 4.44Å; Q370-Y380 HydrophobicContact CG-CD2 4.47Å; Q370-Y380 HydrophobicContact CG-CE2 3.86Å; Q370-Y380 VanDerWaalsContact NE2-CE2 3.32Å; M373-Y380 HydrophobicContact CB-CD1 3.42Å; M373-Y380 VanDerWaalsContact CB-CD1 3.42Å; M373-Y380 HydrophobicContact CB-CE1 3.72Å; M373-Y380 HydrophobicContact CB-CG 4.28Å; M373-Y380 HydrophobicContact CG-CD1 4.18Å; E374-Y380 HydrophobicContact CG-CE1 3.98Å; E374-Y380 WeakPolarHBondContact CG-OH 3.43Å; E374-Y380 PolarHBondContact OE1-OH 3.43Å; Y378-Y380 WeakPolarHBondContact O-CD1 3.4Å; Y378-Y380 PolarHBondContact O-N 3.2Å; Y380-V406 VanDerWaalsContact CA-O 3.23Å; Y380-V406 WeakPolarHBondContact CA-O 3.06Å; Y380-L408 HydrophobicContact CD2-CD1 4.11Å; Y380-L408 HydrophobicContact CG-CD1 4.43Å
381E91.8Very high84.9Confident40 Ų4062.1 Ų62.119%0.18733%0.332CS..EExtended strand (participates in β ladder)trans-122.1157.1159.8-71.8-90.4-176.500108.6N398 I404 V406 F407 L408E381-N398 HydrophobicContact CG-CB 4.45Å; E381-N398 WeakPolarHBondContact OE1-CB 3.22Å; E381-N398 PolarHBondContact OE1-ND2 3.24Å; E381-I404 HydrophobicContact CG-CD1 3.65Å; E381-I404 HydrophobicContact CG-CG2 4.35Å; E381-V406 PolarHBondContact N-O 2.64Å; E381-V406 VanDerWaalsContact N-O 3.16Å; E381-F407 HydrophobicContact CB-CD2 3.82Å; E381-F407 HydrophobicContact CB-CE2 3.73Å; E381-F407 HydrophobicContact CB-CG 4.5Å; E381-F407 HydrophobicContact CB-CZ 4.35Å; E381-F407 WeakPolarHBondContact O-CD2 3.45Å; E381-L408 PolarHBondContact O-N 3.06Å
382R90.8Very high84.5Confident47 Ų4760.9 Ų60.918%0.17732%0.323CS..EExtended strand (participates in β ladder)trans-126.2138.3-179.3-173.6-141.4173.3102.7-5.8111.2D367 D384 L408D367-R382 IonicContact OD1-CZ 3.74Å; D367-R382 IonicContact OD1-NH1 3.08Å; D367-R382 PolarHBondContact OD1-NH1 3.33Å; D367-R382 IonicContact OD1-NH2 3.9Å; D367-R382 PolarHBondContact OD1-NH2 2.91Å; R382-D384 IonicContact CZ-OD2 2.81Å; R382-D384 VanDerWaalsContact CZ-OD2 3.26Å; R382-D384 IonicContact NE-OD2 3.81Å; R382-D384 PolarHBondContact NE-OD2 3.48Å; R382-D384 IonicContact NH2-OD2 2.76Å; R382-D384 PolarHBondContact NH2-OD2 3.42Å; R382-L408 CarbonylContact C-O 3.59Å; R382-L408 WeakPolarHBondContact CA-O 3.49Å; R382-L408 HydrophobicContact CB-CB 4.42Å; R382-L408 HydrophobicContact CG-CB 4.35Å
383M87.5Confident84Confident0 Ų063.3 Ų63.30%034%0.336CS..EExtended strand (participates in β ladder)trans-142.6125.3171.5-173.1-163.1-51.900112.4R392 V396 F407 L408 L409 S410 A413 L418M383-R392 HydrophobicContact CE-CG 3.74Å; M383-R392 HydrophobicContact CG-CG 3.94Å; M383-R392 HydrophobicContact SD-CG 3.5Å; M383-R392 WeakPolarHBondContact SD-CG 3.35Å; M383-V396 HydrophobicContact CE-CG2 3.57Å; M383-F407 HydrophobicContact CB-CE2 4.02Å; M383-F407 HydrophobicContact CE-CE1 4.33Å; M383-F407 HydrophobicContact CE-CE2 4.09Å; M383-F407 HydrophobicContact CE-CZ 3.56Å; M383-L408 PolarHBondContact N-O 2.77Å; M383-L409 HydrophobicContact CB-CD2 3.76Å; M383-L409 HydrophobicContact CE-CD2 4.03Å; M383-L409 WeakPolarHBondContact O-CA 3.46Å; M383-L409 HydrophobicContact SD-CD2 4.27Å; M383-S410 PolarHBondContact O-N 3.09Å; M383-A413 HydrophobicContact CG-CB 4.47Å; M383-L418 HydrophobicContact CE-CD1 3.63Å; M383-L418 HydrophobicContact SD-CD1 3.51Å; M383-L418 VanDerWaalsContact SD-CD1 3.51Å
384D85.6Confident83.7Confident6 Ų668 Ų683%0.03236%0.361CS..  trans-135.5-163.817062.546.5000111.1T363 R382 S386T363-D384 HydrophobicContact CG2-CB 4.23Å; R382-D384 IonicContact CZ-OD2 2.81Å; R382-D384 VanDerWaalsContact CZ-OD2 3.26Å; R382-D384 IonicContact NE-OD2 3.81Å; R382-D384 PolarHBondContact NE-OD2 3.48Å; R382-D384 IonicContact NH2-OD2 2.76Å; R382-D384 PolarHBondContact NH2-OD2 3.42Å; D384-S386 VanDerWaalsContact C-N 3.34Å; D384-S386 WeakPolarHBondContact OD1-CA 3.32Å; D384-S386 VanDerWaalsContact OD1-CB 3.32Å; D384-S386 WeakPolarHBondContact OD1-CB 3.31Å; D384-S386 PolarHBondContact OD1-N 3.09Å; D384-S386 PolarHBondContact OD1-OG 3.11Å
385G77.8Confident83.6Confident64 Ų6462.6 Ų62.666%0.6634%0.336SS*.SBendtrans-73.5-18.1-17900000115.3
386S75.4Confident83.5Confident97 Ų9759.6 Ų59.668%0.67833%0.327SS*.SBendtrans-81.8-33.3-179.772.20000112.8D384 R388D384-S386 VanDerWaalsContact C-N 3.34Å; D384-S386 WeakPolarHBondContact OD1-CA 3.32Å; D384-S386 VanDerWaalsContact OD1-CB 3.32Å; D384-S386 WeakPolarHBondContact OD1-CB 3.31Å; D384-S386 PolarHBondContact OD1-N 3.09Å; D384-S386 PolarHBondContact OD1-OG 3.11Å; S386-R388 PolarHBondContact O-N 3.02Å
387V77.6Confident83.5Confident26 Ų2662.1 Ų62.116%0.15834%0.34CS..SBendtrans-60.3126.6-179.1-179.30000110.7E391 R392V387-E391 HydrophobicContact CG1-CB 3.62Å; V387-R392 HydrophobicContact CG1-CB 4.35Å; V387-R392 PolarHBondContact O-NH2 2.68Å
388R76.9Confident83.6Confident189 Ų18960.4 Ų60.471%0.71332%0.317SS*.  trans-67157-175.6-62.7179.8165-152.6-4.3111.2S386 E390 E391 R392S386-R388 PolarHBondContact O-N 3.02Å; R388-E390 PolarHBondContact O-N 3.06Å; R388-E390 VanDerWaalsContact O-N 3.13Å; R388-E391 HydrophobicContact CB-CG 4.38Å; R388-E391 VanDerWaalsContact CB-OE2 3.28Å; R388-E391 WeakPolarHBondContact CB-OE2 3.27Å; R388-E391 PolarHBondContact N-OE2 3.35Å; R388-E391 PolarHBondContact O-N 3.31Å; R388-R392 VanDerWaalsContact O-CB 3.29Å; R388-R392 WeakPolarHBondContact O-CB 3.48Å; R388-R392 PolarHBondContact O-N 2.93Å
389G71.1Confident83.5Confident30 Ų3059.2 Ų59.231%0.30931%0.312SS..Hα-helixtrans-58.5-29.7-175.400000114.8N393G389-N393 PolarHBondContact O-N 3.18Å; G389-N393 PolarHBondContact O-ND2 2.74Å
390E76.6Confident83.2Confident156 Ų15659.6 Ų59.673%0.72932%0.315SS*.Hα-helixtrans-80.2-44.5179-58-169.4155.600111.9R388 R392 N393 L394R388-E390 PolarHBondContact O-N 3.06Å; R388-E390 VanDerWaalsContact O-N 3.13Å; E390-R392 VanDerWaalsContact C-N 3.29Å; E390-R392 PolarHBondContact O-N 3.07Å; E390-N393 PolarHBondContact O-N 3.42Å; E390-L394 PolarHBondContact O-N 2.9Å
391E79.9Confident82.9Confident102 Ų10261.8 Ų61.848%0.47733%0.334SS..Hα-helixtrans-57.7-42.4171.6-65.3156.9-178.300111.1V387 R388 N393 L394 A395V387-E391 HydrophobicContact CG1-CB 3.62Å; R388-E391 HydrophobicContact CB-CG 4.38Å; R388-E391 VanDerWaalsContact CB-OE2 3.28Å; R388-E391 WeakPolarHBondContact CB-OE2 3.27Å; R388-E391 PolarHBondContact N-OE2 3.35Å; R388-E391 PolarHBondContact O-N 3.31Å; E391-N393 PolarHBondContact O-N 3.4Å; E391-L394 CarbonylContact O-C 3.57Å; E391-L394 WeakPolarHBondContact O-CB 3.46Å; E391-L394 PolarHBondContact O-N 3.01Å; E391-L394 VanDerWaalsContact O-N 3.11Å; E391-A395 PolarHBondContact O-N 3.35Å
392R81.1Confident82.5Confident39 Ų3964.7 Ų64.715%0.14735%0.346CS..Hα-helixtrans-57.7-46.2174.7-171.9174.7-55.1163.37.9112.3M383 V387 R388 E390 L394 A395 V396M383-R392 HydrophobicContact CE-CG 3.74Å; M383-R392 HydrophobicContact CG-CG 3.94Å; M383-R392 HydrophobicContact SD-CG 3.5Å; M383-R392 WeakPolarHBondContact SD-CG 3.35Å; V387-R392 HydrophobicContact CG1-CB 4.35Å; V387-R392 PolarHBondContact O-NH2 2.68Å; R388-R392 VanDerWaalsContact O-CB 3.29Å; R388-R392 WeakPolarHBondContact O-CB 3.48Å; R388-R392 PolarHBondContact O-N 2.93Å; E390-R392 VanDerWaalsContact C-N 3.29Å; E390-R392 PolarHBondContact O-N 3.07Å; R392-L394 VanDerWaalsContact C-N 3.32Å; R392-A395 PolarHBondContact O-N 3.44Å; R392-V396 WeakPolarHBondContact O-CG2 3.43Å; R392-V396 PolarHBondContact O-N 3.44Å; R392-V396 VanDerWaalsContact O-N 3.12Å
393N80.6Confident82.1Confident51 Ų5169 Ų6927%0.27337%0.372SS..Hα-helixtrans-67.3-33176.2-78.3-50.3000112.1G389 E390 E391 K397G389-N393 PolarHBondContact O-N 3.18Å; G389-N393 PolarHBondContact O-ND2 2.74Å; E390-N393 PolarHBondContact O-N 3.42Å; E391-N393 PolarHBondContact O-N 3.4Å; N393-K397 WeakPolarHBondContact O-CB 3.44Å; N393-K397 PolarHBondContact O-N 3.34Å
394L84.3Confident82.1Confident100 Ų10069.6 Ų69.652%0.52438%0.375SS..Hα-helixtrans-68.7-43.6174.5-177.860.5000111.9E390 E391 R392 K397 N398E390-L394 PolarHBondContact O-N 2.9Å; E391-L394 CarbonylContact O-C 3.57Å; E391-L394 WeakPolarHBondContact O-CB 3.46Å; E391-L394 PolarHBondContact O-N 3.01Å; E391-L394 VanDerWaalsContact O-N 3.11Å; R392-L394 VanDerWaalsContact C-N 3.32Å; L394-K397 PolarHBondContact O-N 3.33Å; L394-N398 WeakPolarHBondContact O-CB 3.27Å; L394-N398 PolarHBondContact O-N 3.1Å; L394-N398 PolarHBondContact O-OD1 3.13Å
395A85.9Confident82.4Confident6 Ų669.8 Ų69.85%0.0538%0.376CS..Hα-helixtrans-61.8-44.6176.300000111.9E391 R392 K397 N398 F399 F407E391-A395 PolarHBondContact O-N 3.35Å; R392-A395 PolarHBondContact O-N 3.44Å; A395-K397 PolarHBondContact O-N 3.03Å; A395-N398 WeakPolarHBondContact O-CB 3.12Å; A395-N398 PolarHBondContact O-N 2.9Å; A395-F399 PolarHBondContact O-N 3.04Å; A395-F407 HydrophobicContact CB-CE2 4.3Å; A395-F407 HydrophobicContact CB-CZ 3.95Å
396V85Confident83.1Confident22 Ų2266.8 Ų66.813%0.13335%0.345CS..Hα-helixtrans-62.2-42.6174.1174.40000111.7M383 R392 F399 S400 F407 L418 L420M383-V396 HydrophobicContact CE-CG2 3.57Å; R392-V396 WeakPolarHBondContact O-CG2 3.43Å; R392-V396 PolarHBondContact O-N 3.44Å; R392-V396 VanDerWaalsContact O-N 3.12Å; V396-F399 PolarHBondContact O-N 3.34Å; V396-S400 WeakPolarHBondContact O-CB 3.48Å; V396-S400 PolarHBondContact O-N 3.36Å; V396-S400 PolarHBondContact O-OG 2.93Å; V396-F407 HydrophobicContact CG2-CE1 4.28Å; V396-F407 HydrophobicContact CG2-CZ 4.32Å; V396-L418 HydrophobicContact CG2-CD1 4.39Å; V396-L418 HydrophobicContact CG2-CD2 4.37Å; V396-L420 HydrophobicContact CG1-CD2 4.26Å; V396-L420 HydrophobicContact CG2-CD2 4.34Å
397K85.7Confident83.9Confident138 Ų13862.1 Ų62.160%0.631%0.312SS*.Hα-helixtrans-64.6-40.9175.9-172.9178.6179.5-177.40111.4N393 L394 A395 S400 T401N393-K397 WeakPolarHBondContact O-CB 3.44Å; N393-K397 PolarHBondContact O-N 3.34Å; L394-K397 PolarHBondContact O-N 3.33Å; A395-K397 PolarHBondContact O-N 3.03Å; K397-S400 PolarHBondContact O-N 3.13Å; K397-T401 HydrophobicContact CG-CG2 4.38Å; K397-T401 WeakPolarHBondContact O-CB 3.46Å; K397-T401 WeakPolarHBondContact O-CG2 3.25Å; K397-T401 PolarHBondContact O-N 3.02Å; K397-T401 VanDerWaalsContact O-N 3.08Å; K397-T401 PolarHBondContact O-OG1 3Å
398N88.6Confident84.7Confident25 Ų2560.9 Ų60.913%0.13431%0.305CS..Hα-helixtrans-59.9-54175.4-76.2-11.3000110.7E381 L394 A395 S400 T401 K402 I404E381-N398 HydrophobicContact CG-CB 4.45Å; E381-N398 WeakPolarHBondContact OE1-CB 3.22Å; E381-N398 PolarHBondContact OE1-ND2 3.24Å; L394-N398 WeakPolarHBondContact O-CB 3.27Å; L394-N398 PolarHBondContact O-N 3.1Å; L394-N398 PolarHBondContact O-OD1 3.13Å; A395-N398 WeakPolarHBondContact O-CB 3.12Å; A395-N398 PolarHBondContact O-N 2.9Å; N398-S400 PolarHBondContact O-N 3.3Å; N398-T401 PolarHBondContact O-N 3.04Å; N398-T401 VanDerWaalsContact O-N 3.1Å; N398-K402 HydrophobicContact CB-CD 3.96Å; N398-K402 PolarHBondContact ND2-NZ 3.16Å; N398-K402 WeakPolarHBondContact O-CB 3.38Å; N398-K402 PolarHBondContact O-N 2.73Å; N398-K402 VanDerWaalsContact OD1-CE 3.29Å; N398-K402 WeakPolarHBondContact OD1-CE 3.48Å; N398-K402 PolarHBondContact OD1-NZ 2.85Å; N398-I404 HydrophobicContact CB-CD1 4.2Å
399F88.1Confident85.4Confident0 Ų051.9 Ų51.90%027%0.271CS..Hα-helixtrans-58.3-35.4178.9-175.3-102.9000112.7R355 L357 A395 V396 I404 F407 L420 A422 A423R355-F399 HydrophobicContact CB-CZ 4.21Å; R355-F399 PolarHBondContact NH1-O 2.8Å; L357-F399 HydrophobicContact CD2-CE1 3.87Å; L357-F399 HydrophobicContact CD2-CZ 3.8Å; A395-F399 PolarHBondContact O-N 3.04Å; V396-F399 PolarHBondContact O-N 3.34Å; F399-I404 HydrophobicContact CD2-CB 4.19Å; F399-I404 HydrophobicContact CD2-CG2 4.2Å; F399-F407 HydrophobicContact CB-CD1 3.73Å; F399-F407 HydrophobicContact CB-CE1 3.72Å; F399-F407 AromaticContact CD1-CD1 3.74Å; F399-F407 HydrophobicContact CD1-CD1 3.74Å; F399-F407 HydrophobicContact CD1-CE1 4.3Å; F399-F407 HydrophobicContact CD2-CB 3.94Å; F399-F407 AromaticContact CD2-CD1 3.82Å; F399-F407 HydrophobicContact CD2-CD1 3.82Å; F399-F407 HydrophobicContact CD2-CG 4.15Å; F399-F407 HydrophobicContact CE1-CD1 4.3Å; F399-F407 HydrophobicContact CE2-CB 3.89Å; F399-F407 HydrophobicContact CE2-CD1 4.38Å; F399-F407 HydrophobicContact CG-CB 4.44Å; F399-F407 AromaticContact CG-CD1 3.47Å; F399-F407 HydrophobicContact CG-CD1 3.47Å; F399-F407 VanDerWaalsContact CG-CD1 3.47Å; F399-F407 AromaticContact CG-CE1 3.99Å; F399-F407 HydrophobicContact CG-CE1 3.99Å; F399-F407 HydrophobicContact CG-CG 4.26Å; F399-F407 HydrophobicContact CZ-CB 4.32Å; F399-L420 HydrophobicContact CD1-CD2 4.34Å; F399-A422 HydrophobicContact CD1-CB 4.27Å; F399-A422 HydrophobicContact CE1-CB 4.09Å; F399-A423 HydrophobicContact CE1-CB 4.06Å; F399-A423 HydrophobicContact CZ-CB 4.02Å
400S85.3Confident86.3Confident61 Ų6150.9 Ų50.943%0.42726%0.259SS..Hα-helixtrans-79.5-16.6178.7-53.50000114.8V396 K397 N398V396-S400 WeakPolarHBondContact O-CB 3.48Å; V396-S400 PolarHBondContact O-N 3.36Å; V396-S400 PolarHBondContact O-OG 2.93Å; K397-S400 PolarHBondContact O-N 3.13Å; N398-S400 PolarHBondContact O-N 3.3Å
401T85Confident86.7Confident98 Ų9843.6 Ų43.660%0.60123%0.225SC*.Hα-helixtrans-120.2-28.3-17356.50000114.9K397 N398K397-T401 HydrophobicContact CG-CG2 4.38Å; K397-T401 WeakPolarHBondContact O-CB 3.46Å; K397-T401 WeakPolarHBondContact O-CG2 3.25Å; K397-T401 PolarHBondContact O-N 3.02Å; K397-T401 VanDerWaalsContact O-N 3.08Å; K397-T401 PolarHBondContact O-OG1 3Å; N398-T401 PolarHBondContact O-N 3.04Å; N398-T401 VanDerWaalsContact O-N 3.1Å
402K83.6Confident86.8Confident101 Ų10145.5 Ų45.544%0.43923%0.232SC..SBendtrans-91.3171.9173.6-59.2171-178.2174.10109.8R355 N398 I404R355-K402 PolarHBondContact NH1-O 2.86Å; R355-K402 VanDerWaalsContact NH1-O 3.16Å; R355-K402 PolarHBondContact NH2-O 3.45Å; N398-K402 HydrophobicContact CB-CD 3.96Å; N398-K402 PolarHBondContact ND2-NZ 3.16Å; N398-K402 WeakPolarHBondContact O-CB 3.38Å; N398-K402 PolarHBondContact O-N 2.73Å; N398-K402 VanDerWaalsContact OD1-CE 3.29Å; N398-K402 WeakPolarHBondContact OD1-CE 3.48Å; N398-K402 PolarHBondContact OD1-NZ 2.85Å; K402-I404 HydrophobicContact CB-CD1 3.9Å; K402-I404 HydrophobicContact CB-CG1 3.88Å; K402-I404 HydrophobicContact CD-CD1 3.82Å; K402-I404 HydrophobicContact CD-CG1 4.5Å
403D83.1Confident86.5Confident138 Ų13844.1 Ų44.174%0.73823%0.229SC*.  trans-97.392.8168.5-146.425.3000109.3R355R355-D403 IonicContact CZ-OD1 2.82Å; R355-D403 IonicContact NE-OD1 3.59Å; R355-D403 PolarHBondContact NE-OD1 3.1Å; R355-D403 IonicContact NH2-OD1 3.44Å; R355-D403 PolarHBondContact NH2-OD1 3.1Å
404I87.8Confident86.1Confident12 Ų1241.7 Ų41.76%0.06222%0.216CC..  trans-119.4122.4-177.8-63173.7000107S379 E381 N398 F399 K402 V406S379-I404 WeakPolarHBondContact O-CG2 3.46Å; E381-I404 HydrophobicContact CG-CD1 3.65Å; E381-I404 HydrophobicContact CG-CG2 4.35Å; N398-I404 HydrophobicContact CB-CD1 4.2Å; F399-I404 HydrophobicContact CD2-CB 4.19Å; F399-I404 HydrophobicContact CD2-CG2 4.2Å; K402-I404 HydrophobicContact CB-CD1 3.9Å; K402-I404 HydrophobicContact CB-CG1 3.88Å; K402-I404 HydrophobicContact CD-CD1 3.82Å; K402-I404 HydrophobicContact CD-CG1 4.5Å; I404-V406 WeakPolarHBondContact CG2-O 3.49Å
405F90.1Very high85.3Confident11 Ų1137 Ų375%0.04819%0.192CC..SBendtrans-68.3-43.7-174.9-177.8-129.6000113.1L344 L347 Y348 H354 V356 Y378 S379L344-F405 HydrophobicContact CB-CE1 4.39Å; L344-F405 HydrophobicContact CD2-CE1 4.09Å; L344-F405 HydrophobicContact CD2-CZ 4.28Å; L347-F405 HydrophobicContact CB-CE2 4.22Å; L347-F405 HydrophobicContact CB-CZ 4Å; Y348-F405 AromaticContact CD2-CD1 3.87Å; Y348-F405 HydrophobicContact CD2-CD1 3.87Å; Y348-F405 HydrophobicContact CD2-CD2 4.06Å; Y348-F405 AromaticContact CD2-CE1 3.9Å; Y348-F405 HydrophobicContact CD2-CE1 3.9Å; Y348-F405 HydrophobicContact CD2-CE2 4.1Å; Y348-F405 AromaticContact CD2-CG 3.98Å; Y348-F405 HydrophobicContact CD2-CG 3.98Å; Y348-F405 HydrophobicContact CD2-CZ 4.03Å; Y348-F405 HydrophobicContact CG-CE1 4.4Å; Y348-F405 HydrophobicContact CG-CZ 4.36Å; H354-F405 VanDerWaalsContact O-CD2 3.22Å; H354-F405 WeakPolarHBondContact O-CD2 3.47Å; H354-F405 WeakPolarHBondContact O-CE2 3.31Å; V356-F405 HydrophobicContact CG2-CE2 4.13Å; V356-F405 HydrophobicContact CG2-CZ 4.28Å; V356-F405 PolarHBondContact N-O 3.2Å; Y378-F405 AromaticContact CD1-CD1 3.84Å; Y378-F405 HydrophobicContact CD1-CD1 3.84Å; Y378-F405 AromaticContact CD1-CE1 3.98Å; Y378-F405 HydrophobicContact CD1-CE1 3.98Å; Y378-F405 HydrophobicContact CE1-CD1 4.42Å; Y378-F405 HydrophobicContact CE1-CE1 4.11Å; Y378-F405 HydrophobicContact CG-CD1 4.03Å; Y378-F405 HydrophobicContact CG-CE1 4.26Å; S379-F405 PolarHBondContact O-N 3.06Å; S379-F405 PolarHBondContact OG-N 2.95Å
406V92.6Very high84.3Confident0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-123.5143-172.4167.40000112.3L344 V356 L358 M373 S379 Y380 E381 I404 L408L344-V406 HydrophobicContact CD2-CG2 4.26Å; V356-V406 HydrophobicContact CB-CG2 4.33Å; V356-V406 CarbonylContact O-C 3.6Å; V356-V406 WeakPolarHBondContact O-CA 3.11Å; L358-V406 HydrophobicContact CD1-CG1 3.9Å; M373-V406 HydrophobicContact CE-CB 4.41Å; M373-V406 HydrophobicContact CE-CG1 3.9Å; M373-V406 HydrophobicContact CE-CG2 3.94Å; M373-V406 HydrophobicContact SD-CB 4.2Å; M373-V406 HydrophobicContact SD-CG1 4.16Å; M373-V406 HydrophobicContact SD-CG2 3.87Å; S379-V406 PolarHBondContact O-N 2.94Å; S379-V406 VanDerWaalsContact O-N 3.1Å; Y380-V406 VanDerWaalsContact CA-O 3.23Å; Y380-V406 WeakPolarHBondContact CA-O 3.06Å; E381-V406 PolarHBondContact N-O 2.64Å; E381-V406 VanDerWaalsContact N-O 3.16Å; I404-V406 WeakPolarHBondContact CG2-O 3.49Å; V406-L408 HydrophobicContact CG1-CD2 3.8Å; V406-L408 HydrophobicContact CG1-CG 4.03Å
407F93.5Very high83.3Confident0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-119.8112162.1-150.6160.4000109.2V356 L357 L358 E381 M383 A395 V396 F399 L409 L420V356-F407 PolarHBondContact O-N 3.46Å; L357-F407 HydrophobicContact CD2-CB 3.69Å; L357-F407 HydrophobicContact CD2-CD1 4.28Å; L357-F407 HydrophobicContact CD2-CG 4.43Å; L358-F407 PolarHBondContact N-O 3.44Å; E381-F407 HydrophobicContact CB-CD2 3.82Å; E381-F407 HydrophobicContact CB-CE2 3.73Å; E381-F407 HydrophobicContact CB-CG 4.5Å; E381-F407 HydrophobicContact CB-CZ 4.35Å; E381-F407 WeakPolarHBondContact O-CD2 3.45Å; M383-F407 HydrophobicContact CB-CE2 4.02Å; M383-F407 HydrophobicContact CE-CE1 4.33Å; M383-F407 HydrophobicContact CE-CE2 4.09Å; M383-F407 HydrophobicContact CE-CZ 3.56Å; A395-F407 HydrophobicContact CB-CE2 4.3Å; A395-F407 HydrophobicContact CB-CZ 3.95Å; V396-F407 HydrophobicContact CG2-CE1 4.28Å; V396-F407 HydrophobicContact CG2-CZ 4.32Å; F399-F407 HydrophobicContact CB-CD1 3.73Å; F399-F407 HydrophobicContact CB-CE1 3.72Å; F399-F407 AromaticContact CD1-CD1 3.74Å; F399-F407 HydrophobicContact CD1-CD1 3.74Å; F399-F407 HydrophobicContact CD1-CE1 4.3Å; F399-F407 HydrophobicContact CD2-CB 3.94Å; F399-F407 AromaticContact CD2-CD1 3.82Å; F399-F407 HydrophobicContact CD2-CD1 3.82Å; F399-F407 HydrophobicContact CD2-CG 4.15Å; F399-F407 HydrophobicContact CE1-CD1 4.3Å; F399-F407 HydrophobicContact CE2-CB 3.89Å; F399-F407 HydrophobicContact CE2-CD1 4.38Å; F399-F407 HydrophobicContact CG-CB 4.44Å; F399-F407 AromaticContact CG-CD1 3.47Å; F399-F407 HydrophobicContact CG-CD1 3.47Å; F399-F407 VanDerWaalsContact CG-CD1 3.47Å; F399-F407 AromaticContact CG-CE1 3.99Å; F399-F407 HydrophobicContact CG-CE1 3.99Å; F399-F407 HydrophobicContact CG-CG 4.26Å; F399-F407 HydrophobicContact CZ-CB 4.32Å; F407-L409 HydrophobicContact CB-CG 4.35Å; F407-L409 HydrophobicContact CD1-CD2 4.17Å; F407-L409 HydrophobicContact CD2-CD2 3.45Å; F407-L409 VanDerWaalsContact CD2-CD2 3.45Å; F407-L409 HydrophobicContact CD2-CG 4.04Å; F407-L409 HydrophobicContact CE1-CD2 4.26Å; F407-L409 HydrophobicContact CE2-CD2 3.56Å; F407-L409 HydrophobicContact CG-CD1 4.44Å; F407-L409 HydrophobicContact CG-CD2 3.8Å; F407-L409 HydrophobicContact CG-CG 4.09Å; F407-L409 HydrophobicContact CZ-CD2 3.99Å; F407-L420 HydrophobicContact CD1-CD2 3.98Å; F407-L420 HydrophobicContact CE1-CD2 3.77Å
408L93.6Very high82.8Confident0 Ų031.6 Ų31.60%017%0.17CC..EExtended strand (participates in β ladder)trans-79.5118.1172.2-60.4177.6000108.8L358 L366 L369 Q370 M373 Y380 E381 R382 M383 V406L358-L408 HydrophobicContact CB-CD2 3.91Å; L358-L408 HydrophobicContact CD1-CD2 4.01Å; L366-L408 HydrophobicContact CD2-CB 4.38Å; L369-L408 HydrophobicContact CB-CD1 4.4Å; L369-L408 HydrophobicContact CB-CD2 4.04Å; Q370-L408 HydrophobicContact CG-CD1 3.48Å; Q370-L408 VanDerWaalsContact CG-CD1 3.48Å; M373-L408 HydrophobicContact CE-CD2 4.4Å; Y380-L408 HydrophobicContact CD2-CD1 4.11Å; Y380-L408 HydrophobicContact CG-CD1 4.43Å; E381-L408 PolarHBondContact O-N 3.06Å; R382-L408 CarbonylContact C-O 3.59Å; R382-L408 WeakPolarHBondContact CA-O 3.49Å; R382-L408 HydrophobicContact CB-CB 4.42Å; R382-L408 HydrophobicContact CG-CB 4.35Å; M383-L408 PolarHBondContact N-O 2.77Å; V406-L408 HydrophobicContact CG1-CD2 3.8Å; V406-L408 HydrophobicContact CG1-CG 4.03Å
409L92.1Very high82.4Confident0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-130.3131.2-173.6-62.1176.1000109.9L357 L358 F359 S360 M383 F407 L420L357-L409 HydrophobicContact CB-CD1 4.28Å; L357-L409 HydrophobicContact CD1-CD1 4.4Å; L357-L409 HydrophobicContact CD2-CD1 4.15Å; L358-L409 PolarHBondContact O-N 2.96Å; F359-L409 WeakPolarHBondContact CA-O 3.23Å; F359-L409 HydrophobicContact CD1-CB 3.61Å; F359-L409 HydrophobicContact CD1-CD1 4.27Å; F359-L409 HydrophobicContact CE1-CB 3.51Å; F359-L409 HydrophobicContact CE1-CD1 3.42Å; F359-L409 VanDerWaalsContact CE1-CD1 3.42Å; F359-L409 HydrophobicContact CE1-CG 4.11Å; F359-L409 HydrophobicContact CZ-CB 4.46Å; F359-L409 HydrophobicContact CZ-CD1 3.6Å; S360-L409 PolarHBondContact N-O 2.84Å; M383-L409 HydrophobicContact CB-CD2 3.76Å; M383-L409 HydrophobicContact CE-CD2 4.03Å; M383-L409 WeakPolarHBondContact O-CA 3.46Å; M383-L409 HydrophobicContact SD-CD2 4.27Å; F407-L409 HydrophobicContact CB-CG 4.35Å; F407-L409 HydrophobicContact CD1-CD2 4.17Å; F407-L409 HydrophobicContact CD2-CD2 3.45Å; F407-L409 VanDerWaalsContact CD2-CD2 3.45Å; F407-L409 HydrophobicContact CD2-CG 4.04Å; F407-L409 HydrophobicContact CE1-CD2 4.26Å; F407-L409 HydrophobicContact CE2-CD2 3.56Å; F407-L409 HydrophobicContact CG-CD1 4.44Å; F407-L409 HydrophobicContact CG-CD2 3.8Å; F407-L409 HydrophobicContact CG-CG 4.09Å; F407-L409 HydrophobicContact CZ-CD2 3.99Å; L409-L420 HydrophobicContact CD1-CD1 3.59Å
410S90.9Very high82.3Confident9 Ų932.5 Ų32.56%0.06318%0.175CC..EExtended strand (participates in β ladder)trans-72.8135.3164.887.50000109.8S360 M383 K412 A413 G414S360-S410 CarbonylContact O-C 3.59Å; S360-S410 WeakPolarHBondContact O-CA 3.23Å; M383-S410 PolarHBondContact O-N 3.09Å; S410-K412 PolarHBondContact O-N 3.21Å; S410-K412 VanDerWaalsContact O-N 3.11Å; S410-A413 PolarHBondContact O-N 2.71Å; S410-A413 VanDerWaalsContact OG-CB 3.24Å; S410-A413 WeakPolarHBondContact OG-CB 3.34Å; S410-A413 PolarHBondContact OG-N 3.04Å; S410-G414 PolarHBondContact O-N 3.12Å
411T84.9Confident82.3Confident2 Ų231.8 Ų31.81%0.01217%0.168CC..Hα-helixtrans-56.3-35.3-174.9-47.80000111.6S360 G415 F428 A441S360-T411 PolarHBondContact O-N 2.84Å; S360-T411 PolarHBondContact O-OG1 3.21Å; T411-G415 PolarHBondContact O-N 3.42Å; T411-F428 HydrophobicContact CG2-CE1 4.38Å; T411-A441 HydrophobicContact CG2-CB 4.4Å
412K80.5Confident82.3Confident142 Ų14228.6 Ų28.662%0.61715%0.152SC*.Hα-helixtrans-72-30.9175.2-68.7170.7-179155.40114.3S410S410-K412 PolarHBondContact O-N 3.21Å; S410-K412 VanDerWaalsContact O-N 3.11Å
413A75.9Confident82.6Confident11 Ų1123.9 Ų23.99%0.09113%0.132CC..Hα-helixtrans-80.1-44.717500000111.5M383 S410M383-A413 HydrophobicContact CG-CB 4.47Å; S410-A413 PolarHBondContact O-N 2.71Å; S410-A413 VanDerWaalsContact OG-CB 3.24Å; S410-A413 WeakPolarHBondContact OG-CB 3.34Å; S410-A413 PolarHBondContact OG-N 3.04Å
414G71Confident82.9Confident0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-70.6-33.5179.900000114S410 V416 R444S410-G414 PolarHBondContact O-N 3.12Å; G414-V416 PolarHBondContact O-N 3.18Å; G414-R444 WeakPolarHBondContact O-CG 3.29Å
415G67.4Low83Confident2 Ų216.8 Ų16.82%0.0219%0.094CC..THydrogen-bonded Turntrans-56.7-33176.100000113.3T411 G417 Q440 R444T411-G415 PolarHBondContact O-N 3.42Å; G415-G417 PolarHBondContact O-N 3.47Å; G415-Q440 WeakPolarHBondContact O-CG 3.48Å; G415-Q440 PolarHBondContact O-NE2 2.77Å; G415-Q440 PolarHBondContact O-OE1 3.07Å; G415-R444 VanDerWaalsContact O-CZ 3.23Å; G415-R444 PolarHBondContact O-NE 2.89Å; G415-R444 PolarHBondContact O-NH2 3.34Å
416V66.3Low83Confident36 Ų3616.2 Ų16.222%0.2189%0.091CC..THydrogen-bonded Turntrans-90.887.4-174.4-163.30000112.7P92 S94 G414 L418P92-V416 HydrophobicContact CB-CG1 3.78Å; P92-V416 HydrophobicContact CG-CG1 4.22Å; S94-V416 WeakPolarHBondContact CB-O 3.49Å; S94-V416 VanDerWaalsContact OG-CG1 3.31Å; S94-V416 WeakPolarHBondContact OG-CG1 3.24Å; S94-V416 PolarHBondContact OG-O 2.72Å; G414-V416 PolarHBondContact O-N 3.18Å; V416-L418 PolarHBondContact O-N 3.01Å
417G63.5Low83Confident5 Ų516.2 Ų16.25%0.0529%0.091CC..THydrogen-bonded Turntrans96-13.9147.600000118.7G415 R444G415-G417 PolarHBondContact O-N 3.47Å; G417-R444 VanDerWaalsContact C-NH1 3.31Å; G417-R444 VanDerWaalsContact CA-CZ 3.47Å; G417-R444 VanDerWaalsContact CA-NH1 3.28Å; G417-R444 VanDerWaalsContact N-NH2 3.1Å
418L74.9Confident83Confident10 Ų1016.2 Ų16.25%0.0529%0.091CC..  trans-72.4165-168.9-55175.4000114.2M383 V396 V416 L420 R444M383-L418 HydrophobicContact CE-CD1 3.63Å; M383-L418 HydrophobicContact SD-CD1 3.51Å; M383-L418 VanDerWaalsContact SD-CD1 3.51Å; V396-L418 HydrophobicContact CG2-CD1 4.39Å; V396-L418 HydrophobicContact CG2-CD2 4.37Å; V416-L418 PolarHBondContact O-N 3.01Å; L418-L420 HydrophobicContact CB-CG 4.38Å; L418-R444 WeakPolarHBondContact O-CD 3.22Å
419N80.8Confident83Confident45 Ų4516.2 Ų16.224%0.2419%0.091CC..  trans-118.2115.2172.1-72.3-29.9000108.7N98 R447N98-N419 PolarHBondContact OD1-ND2 2.84Å; N419-R447 VanDerWaalsContact OD1-CD 3.27Å; N419-R447 WeakPolarHBondContact OD1-CD 3.32Å; N419-R447 PolarHBondContact OD1-NE 2.98Å; N419-R447 PolarHBondContact OD1-NH1 3.17Å
420L84.5Confident82.8Confident0 Ų016.2 Ų16.20%09%0.091CC..  trans-131.435.8-173.2-63.3174.4000111.7L357 V396 F399 F407 L409 L418 A422 A423 R444L357-L420 HydrophobicContact CD1-CB 3.91Å; L357-L420 HydrophobicContact CD1-CD1 3.86Å; L357-L420 HydrophobicContact CD2-CB 4.47Å; L357-L420 HydrophobicContact CD2-CD1 4.23Å; V396-L420 HydrophobicContact CG1-CD2 4.26Å; V396-L420 HydrophobicContact CG2-CD2 4.34Å; F399-L420 HydrophobicContact CD1-CD2 4.34Å; F407-L420 HydrophobicContact CD1-CD2 3.98Å; F407-L420 HydrophobicContact CE1-CD2 3.77Å; L409-L420 HydrophobicContact CD1-CD1 3.59Å; L418-L420 HydrophobicContact CB-CG 4.38Å; L420-A422 PolarHBondContact O-N 3.35Å; L420-A423 PolarHBondContact O-N 3.29Å; L420-A423 VanDerWaalsContact O-N 3.13Å; L420-R444 CarbonylContact C-O 3.56Å; L420-R444 WeakPolarHBondContact CA-O 3.43Å; L420-R444 HydrophobicContact CB-CB 4.47Å; L420-R444 HydrophobicContact CD1-CB 4.36Å; L420-R444 PolarHBondContact N-O 2.76Å
421T85.7Confident82.6Confident45 Ų4515.9 Ų15.928%0.2769%0.089SC..THydrogen-bonded Turntrans-65.9-3.1179.755.10000114.5A423 R447 Q450T421-A423 VanDerWaalsContact C-N 3.32Å; T421-R447 HydrophobicContact CG2-CB 4.13Å; T421-Q450 HydrophobicContact CG2-CB 4.23Å; T421-Q450 PolarHBondContact O-NE2 2.87Å
422A86.6Confident82.5Confident32 Ų3216.7 Ų16.726%0.2649%0.093SC..THydrogen-bonded Turntrans-76.3-17.5170.900000113.3R355 F399 L420R355-A422 VanDerWaalsContact CD-O 3.28Å; R355-A422 WeakPolarHBondContact CD-O 3.49Å; F399-A422 HydrophobicContact CD1-CB 4.27Å; F399-A422 HydrophobicContact CE1-CB 4.09Å; L420-A422 PolarHBondContact O-N 3.35Å
423A88.9Confident82.3Confident1 Ų114.7 Ų14.71%0.0089%0.085CC..  trans-81.4161171.600000111.6R355 L357 F399 L420 T421 C445 Q450R355-A423 WeakPolarHBondContact O-CA 3.09Å; R355-A423 WeakPolarHBondContact O-CB 3.27Å; L357-A423 HydrophobicContact CD1-CB 4.03Å; L357-A423 HydrophobicContact CD2-CB 3.76Å; L357-A423 HydrophobicContact CG-CB 3.56Å; F399-A423 HydrophobicContact CE1-CB 4.06Å; F399-A423 HydrophobicContact CZ-CB 4.02Å; L420-A423 PolarHBondContact O-N 3.29Å; L420-A423 VanDerWaalsContact O-N 3.13Å; T421-A423 VanDerWaalsContact C-N 3.32Å; A423-C445 PolarHBondContact O-SG 3.21Å; A423-C445 VanDerWaalsContact O-SG 3.36Å; A423-Q450 PolarHBondContact O-NE2 3.26Å
424D88.8Confident82.4Confident1 Ų116.5 Ų16.51%0.0059%0.093CC..  trans-124.6-21.1167.455.421.9000113.2H354 R355 R452 V454 K455H354-D424 WeakPolarHBondContact CB-OD1 3.38Å; H354-D424 IonicContact CE1-OD2 3.25Å; H354-D424 IonicContact CG-OD1 2.8Å; H354-D424 IonicContact CG-OD2 3.08Å; H354-D424 IonicContact ND1-OD1 2.76Å; H354-D424 PolarHBondContact ND1-OD1 2.85Å; H354-D424 IonicContact ND1-OD2 3.38Å; H354-D424 PolarHBondContact ND1-OD2 2.92Å; R355-D424 PolarHBondContact N-OD1 2.93Å; R355-D424 PolarHBondContact O-N 3.3Å; D424-R452 HydrophobicContact CB-CB 4.05Å; D424-R452 WeakPolarHBondContact OD2-CD 3.25Å; D424-R452 IonicContact OD2-CZ 3.3Å; D424-R452 IonicContact OD2-NH1 2.7Å; D424-R452 PolarHBondContact OD2-NH1 3.04Å; D424-V454 WeakPolarHBondContact O-CA 3.23Å; D424-K455 PolarHBondContact O-N 3.28Å
425T89.4Confident82.7Confident0 Ų016.9 Ų16.90%010%0.096CC..EExtended strand (participates in β ladder)trans-122.5135.2-175-50.40000109.5L347 R355 V356 L357 V427 K455 I457 W540L347-T425 HydrophobicContact CD1-CG2 4Å; L347-T425 HydrophobicContact CD2-CG2 4.48Å; R355-T425 PolarHBondContact O-N 2.77Å; R355-T425 VanDerWaalsContact O-N 3.13Å; V356-T425 CarbonylContact C-O 3.57Å; V356-T425 WeakPolarHBondContact CA-O 3.44Å; L357-T425 PolarHBondContact N-O 3.41Å; T425-V427 HydrophobicContact CG2-CG2 4.43Å; T425-K455 CarbonylContact C-O 3.49Å; T425-K455 WeakPolarHBondContact CA-O 3.32Å; T425-I457 HydrophobicContact CG2-CD1 4Å; T425-W540 HydrophobicContact CG2-CZ2 4.3Å; T425-W540 PolarHBondContact OG1-NE1 2.94Å
426V92.2Very high83.1Confident0 Ų017.8 Ų17.80%010%0.099CC..EExtended strand (participates in β ladder)trans-123.7126.5179.5176.70000107.7L357 F359 F428 C445 V454 K455 V456 I457L357-V426 HydrophobicContact CB-CG2 4.39Å; L357-V426 HydrophobicContact CD1-CG2 4.28Å; L357-V426 CarbonylContact O-C 3.3Å; L357-V426 WeakPolarHBondContact O-CA 3.42Å; F359-V426 HydrophobicContact CD2-CG1 3.65Å; F359-V426 HydrophobicContact CE2-CG1 3.61Å; V426-F428 HydrophobicContact CG1-CD2 4.16Å; V426-F428 HydrophobicContact CG1-CE2 3.67Å; V426-F428 HydrophobicContact CG1-CZ 4.17Å; V426-C445 HydrophobicContact CG2-CB 3.85Å; V426-V454 HydrophobicContact CG2-CG1 4.48Å; V426-K455 PolarHBondContact N-O 3.37Å; V426-V456 HydrophobicContact CB-CG2 4.32Å; V426-V456 CarbonylContact O-C 3.55Å; V426-V456 WeakPolarHBondContact O-CA 3.23Å; V426-I457 PolarHBondContact O-N 3.29Å
427V92.6Very high83.8Confident0 Ų018.3 Ų18.30%010%0.101CC..EExtended strand (participates in β ladder)trans-122117.2178.9-177.80000108.8L340 V356 L357 L358 F359 T425 I457 L459L340-V427 HydrophobicContact CD1-CG1 4.19Å; V356-V427 HydrophobicContact CG1-CB 4.46Å; V356-V427 HydrophobicContact CG1-CG2 3.77Å; L357-V427 PolarHBondContact O-N 2.76Å; L358-V427 WeakPolarHBondContact CA-O 3.5Å; L358-V427 HydrophobicContact CD2-CB 3.66Å; L358-V427 HydrophobicContact CD2-CG1 3.67Å; L358-V427 HydrophobicContact CG-CB 4.32Å; F359-V427 PolarHBondContact N-O 2.85Å; T425-V427 HydrophobicContact CG2-CG2 4.43Å; V427-I457 CarbonylContact C-O 3.41Å; V427-I457 WeakPolarHBondContact CA-O 3.25Å; V427-I457 HydrophobicContact CG2-CB 4.24Å; V427-I457 HydrophobicContact CG2-CD1 4.33Å; V427-L459 HydrophobicContact CG1-CD1 4.26Å; V427-L459 HydrophobicContact CG1-CG 4.21Å
428F92.9Very high84.9Confident0 Ų018.1 Ų18.10%010%0.099CC..EExtended strand (participates in β ladder)trans-88.6112.4167.5-70.3-83.3000108.5F359 T411 V426 D438 A441 A442 V456 I457 R458 L459F359-F428 HydrophobicContact CB-CD1 3.64Å; F359-F428 HydrophobicContact CB-CE1 3.79Å; F359-F428 HydrophobicContact CB-CG 4.43Å; F359-F428 HydrophobicContact CD2-CD1 4.27Å; F359-F428 AromaticContact CD2-CE1 3.78Å; F359-F428 HydrophobicContact CD2-CE1 3.78Å; F359-F428 HydrophobicContact CD2-CE2 4.49Å; F359-F428 AromaticContact CD2-CZ 3.9Å; F359-F428 HydrophobicContact CD2-CZ 3.9Å; F359-F428 HydrophobicContact CE2-CZ 4.43Å; F359-F428 HydrophobicContact CG-CD1 4.26Å; F359-F428 AromaticContact CG-CE1 3.92Å; F359-F428 HydrophobicContact CG-CE1 3.92Å; F359-F428 HydrophobicContact CG-CZ 4.48Å; T411-F428 HydrophobicContact CG2-CE1 4.38Å; V426-F428 HydrophobicContact CG1-CD2 4.16Å; V426-F428 HydrophobicContact CG1-CE2 3.67Å; V426-F428 HydrophobicContact CG1-CZ 4.17Å; F428-D438 HydrophobicContact CD1-CB 4.39Å; F428-D438 HydrophobicContact CE1-CB 3.79Å; F428-D438 HydrophobicContact CZ-CB 3.92Å; F428-D438 WeakPolarHBondContact CZ-O 3.41Å; F428-A441 HydrophobicContact CE1-CB 4.22Å; F428-A441 HydrophobicContact CZ-CB 4.17Å; F428-A442 HydrophobicContact CE2-CB 4.35Å; F428-A442 HydrophobicContact CZ-CB 4.36Å; F428-V456 HydrophobicContact CD2-CG1 3.81Å; F428-V456 HydrophobicContact CE2-CG1 3.7Å; F428-I457 PolarHBondContact N-O 3.49Å; F428-R458 HydrophobicContact CB-CG 4.24Å; F428-R458 HydrophobicContact CD2-CG 4.25Å; F428-L459 PolarHBondContact O-N 3Å
429V92.3Very high85.1Confident0 Ų020.8 Ų20.80%011%0.112CC..SBendtrans-73.3-44.6175.1-178.80000109.1K336 L358 F359 M365 L369K336-V429 HydrophobicContact CD-CG1 3.7Å; K336-V429 VanDerWaalsContact CD-O 3.29Å; K336-V429 WeakPolarHBondContact CD-O 3.21Å; K336-V429 WeakPolarHBondContact CE-O 3.5Å; K336-V429 HydrophobicContact CG-CG1 4.36Å; K336-V429 PolarHBondContact NZ-O 3.38Å; L358-V429 HydrophobicContact CD2-CG2 3.45Å; L358-V429 VanDerWaalsContact CD2-CG2 3.45Å; F359-V429 WeakPolarHBondContact O-CB 3.25Å; F359-V429 PolarHBondContact O-N 3.15Å; M365-V429 HydrophobicContact CE-CG1 4.12Å; M365-V429 HydrophobicContact CG-CG1 4.33Å; L369-V429 HydrophobicContact CD1-CG2 4.14Å
430D89.4Confident85.2Confident0 Ų020 Ų200%011%0.107CC..SBendtrans-125.3163.6170.265.347.6000109.5R307 S360 Q361R307-D430 IonicContact NH2-OD1 3.65Å; S360-D430 WeakPolarHBondContact CA-OD2 3.45Å; S360-D430 WeakPolarHBondContact CB-OD2 3.4Å; S360-D430 PolarHBondContact OG-OD2 3.29Å; Q361-D430 WeakPolarHBondContact CB-OD1 3.41Å; Q361-D430 WeakPolarHBondContact CG-OD1 3.36Å; Q361-D430 PolarHBondContact N-OD1 3.14Å; Q361-D430 PolarHBondContact N-OD2 2.97Å
431S85.4Confident85.2Confident2 Ų220 Ų201%0.01411%0.107CC..  trans-112.9152.7177.2-63.20000112R307 R458 M469R307-S431 VanDerWaalsContact CZ-O 3.27Å; R307-S431 PolarHBondContact NH1-O 3.15Å; R307-S431 PolarHBondContact NH2-O 2.87Å; S431-R458 PolarHBondContact OG-NH1 3.02Å; S431-M469 WeakPolarHBondContact O-CE 3.43Å
432D83.7Confident85.2Confident18 Ų1818.4 Ų18.410%0.09610%0.099CC..  trans-76158.1172.3-154-50.8000111.5Q361 N434 N437 D438Q361-D432 VanDerWaalsContact NE2-CB 3.3Å; Q361-D432 PolarHBondContact NE2-OD2 3.18Å; D432-N434 VanDerWaalsContact C-N 3.28Å; D432-N434 WeakPolarHBondContact CB-O 3.39Å; D432-N434 PolarHBondContact OD1-N 3.23Å; D432-N437 HydrophobicContact CB-CB 4.22Å; D432-N437 WeakPolarHBondContact OD2-CB 3.42Å; D432-N437 PolarHBondContact OD2-ND2 2.92Å; D432-D438 WeakPolarHBondContact CB-OD1 3.47Å; D432-D438 PolarHBondContact N-OD1 3.21Å; D432-D438 PolarHBondContact N-OD2 3.44Å
433F77.1Confident84.9Confident101 Ų10117.2 Ų17.244%0.4439%0.089SC..SBendtrans-71.2-26.2164.1-69.9-81.7000111.8L303 P435 M469L303-F433 HydrophobicContact CD2-CE1 3.76Å; L303-F433 HydrophobicContact CD2-CZ 3.5Å; L303-F433 HydrophobicContact CG-CZ 4.24Å; F433-P435 WeakPolarHBondContact O-CD 3.47Å; F433-M469 HydrophobicContact CD1-CG 3.71Å; F433-M469 HydrophobicContact CD1-SD 3.73Å; F433-M469 HydrophobicContact CD2-SD 4.35Å; F433-M469 HydrophobicContact CE1-CG 3.72Å; F433-M469 HydrophobicContact CE1-SD 3.45Å; F433-M469 WeakPolarHBondContact CE1-SD 3.42Å; F433-M469 HydrophobicContact CE2-SD 4.12Å; F433-M469 HydrophobicContact CG-CG 4.5Å; F433-M469 HydrophobicContact CG-SD 4.17Å; F433-M469 HydrophobicContact CZ-SD 3.66Å
434N77.8Confident84.6Confident48 Ų4817.7 Ų17.726%0.2579%0.09SC..SBendtrans-10099.1170.1-178.224.6000110.7D432 Q436 N437D432-N434 VanDerWaalsContact C-N 3.28Å; D432-N434 WeakPolarHBondContact CB-O 3.39Å; D432-N434 PolarHBondContact OD1-N 3.23Å; N434-Q436 PolarHBondContact O-N 3.18Å; N434-Q436 WeakPolarHBondContact OD1-CB 3.36Å; N434-Q436 PolarHBondContact OD1-N 3.33Å; N434-N437 PolarHBondContact ND2-OD1 2.79Å; N434-N437 WeakPolarHBondContact O-CB 3.36Å; N434-N437 PolarHBondContact O-N 2.9Å
435P77.1Confident84.5Confident9 Ų917.6 Ų17.66%0.0589%0.09CC..Hα-helixtrans-63.7-16.4-177.927.6-36.9000113.7F433 N437 D438 L439 A473 L477F433-P435 WeakPolarHBondContact O-CD 3.47Å; P435-N437 PolarHBondContact O-N 3.45Å; P435-D438 PolarHBondContact O-N 3.24Å; P435-L439 PolarHBondContact O-N 3.04Å; P435-A473 HydrophobicContact CB-CB 4.06Å; P435-A473 HydrophobicContact CG-CB 3.94Å; P435-A473 WeakPolarHBondContact CG-O 3.26Å; P435-L477 HydrophobicContact CB-CD1 3.87Å; P435-L477 HydrophobicContact CB-CD2 3.95Å; P435-L477 HydrophobicContact CB-CG 3.71Å; P435-L477 HydrophobicContact CG-CD1 4.37Å; P435-L477 HydrophobicContact CG-CD2 3.77Å; P435-L477 HydrophobicContact CG-CG 3.64Å
436Q76.3Confident84.2Confident20 Ų2018.7 Ų18.79%0.09310%0.095CC..Hα-helixtrans-62.4-30.4171.4-57.7-176.99.800111.8N434 Q440N434-Q436 PolarHBondContact O-N 3.18Å; N434-Q436 WeakPolarHBondContact OD1-CB 3.36Å; N434-Q436 PolarHBondContact OD1-N 3.33Å; Q436-Q440 WeakPolarHBondContact O-CB 3.24Å; Q436-Q440 PolarHBondContact O-N 3.43Å
437N80.9Confident83.7Confident47 Ų4720.2 Ų20.225%0.25110%0.101SC..Hα-helixtrans-68.2-43.6177.4-64.1-4.5000111.1D432 N434 P435 Q440 A441D432-N437 HydrophobicContact CB-CB 4.22Å; D432-N437 WeakPolarHBondContact OD2-CB 3.42Å; D432-N437 PolarHBondContact OD2-ND2 2.92Å; N434-N437 PolarHBondContact ND2-OD1 2.79Å; N434-N437 WeakPolarHBondContact O-CB 3.36Å; N434-N437 PolarHBondContact O-N 2.9Å; P435-N437 PolarHBondContact O-N 3.45Å; N437-Q440 VanDerWaalsContact O-CB 3.25Å; N437-Q440 WeakPolarHBondContact O-CB 3.36Å; N437-Q440 PolarHBondContact O-N 3.47Å; N437-A441 PolarHBondContact O-N 2.89Å
438D84.7Confident82.9Confident2 Ų222.6 Ų22.61%0.01111%0.113CC..Hα-helixtrans-65.6-41.1176.2-63.8-5.3000110.9F428 D432 P435 Q440 A441 A442 R458F428-D438 HydrophobicContact CD1-CB 4.39Å; F428-D438 HydrophobicContact CE1-CB 3.79Å; F428-D438 HydrophobicContact CZ-CB 3.92Å; F428-D438 WeakPolarHBondContact CZ-O 3.41Å; D432-D438 WeakPolarHBondContact CB-OD1 3.47Å; D432-D438 PolarHBondContact N-OD1 3.21Å; D432-D438 PolarHBondContact N-OD2 3.44Å; P435-D438 PolarHBondContact O-N 3.24Å; D438-Q440 VanDerWaalsContact C-N 3.3Å; D438-Q440 PolarHBondContact O-N 3.33Å; D438-A441 PolarHBondContact O-N 3.08Å; D438-A442 WeakPolarHBondContact O-CB 3.36Å; D438-A442 PolarHBondContact O-N 3.06Å; D438-R458 IonicContact OD2-CZ 3.85Å; D438-R458 IonicContact OD2-NH1 2.74Å; D438-R458 PolarHBondContact OD2-NH1 3.44Å
439L80.8Confident82.2Confident65 Ų6525 Ų2534%0.3414%0.138SC..Hα-helixtrans-62.3-38.7172.6-174.263.3000111.4P435 A441 A442 A443P435-L439 PolarHBondContact O-N 3.04Å; L439-A441 VanDerWaalsContact C-N 3.28Å; L439-A441 PolarHBondContact O-N 3.1Å; L439-A442 PolarHBondContact O-N 2.62Å; L439-A443 VanDerWaalsContact O-CB 3.23Å; L439-A443 WeakPolarHBondContact O-CB 3.32Å; L439-A443 PolarHBondContact O-N 2.79Å
440Q81.7Confident81.7Confident29 Ų2925.5 Ų25.514%0.13614%0.14CC..Hα-helixtrans-61.3-36.4174.4-148.9-166.616.900112M62 E163 G415 Q436 N437 D438 R444M62-Q440 HydrophobicContact CE-CG 3.42Å; M62-Q440 VanDerWaalsContact CE-CG 3.42Å; M62-Q440 HydrophobicContact SD-CB 4.29Å; M62-Q440 HydrophobicContact SD-CG 3.57Å; M62-Q440 VanDerWaalsContact SD-CG 3.57Å; E163-Q440 PolarHBondContact OE1-NE2 2.78Å; E163-Q440 VanDerWaalsContact OE1-NE2 3.15Å; G415-Q440 WeakPolarHBondContact O-CG 3.48Å; G415-Q440 PolarHBondContact O-NE2 2.77Å; G415-Q440 PolarHBondContact O-OE1 3.07Å; Q436-Q440 WeakPolarHBondContact O-CB 3.24Å; Q436-Q440 PolarHBondContact O-N 3.43Å; N437-Q440 VanDerWaalsContact O-CB 3.25Å; N437-Q440 WeakPolarHBondContact O-CB 3.36Å; N437-Q440 PolarHBondContact O-N 3.47Å; D438-Q440 VanDerWaalsContact C-N 3.3Å; D438-Q440 PolarHBondContact O-N 3.33Å; Q440-R444 WeakPolarHBondContact O-CG 3.33Å; Q440-R444 PolarHBondContact O-NE 2.91Å; Q440-R444 VanDerWaalsContact O-NE 3.12Å
441A85.1Confident81.3Confident0 Ų032.5 Ų32.50%018%0.177CC..Hα-helixtrans-76.7-45.917800000112.3F359 T411 F428 N437 D438 L439 A443 R444F359-A441 HydrophobicContact CD1-CB 4.26Å; F359-A441 HydrophobicContact CD2-CB 4.43Å; F359-A441 HydrophobicContact CE1-CB 3.9Å; F359-A441 HydrophobicContact CE2-CB 4.07Å; F359-A441 HydrophobicContact CZ-CB 3.8Å; T411-A441 HydrophobicContact CG2-CB 4.4Å; F428-A441 HydrophobicContact CE1-CB 4.22Å; F428-A441 HydrophobicContact CZ-CB 4.17Å; N437-A441 PolarHBondContact O-N 2.89Å; D438-A441 PolarHBondContact O-N 3.08Å; L439-A441 VanDerWaalsContact C-N 3.28Å; L439-A441 PolarHBondContact O-N 3.1Å; A441-A443 VanDerWaalsContact C-N 3.3Å; A441-A443 PolarHBondContact O-N 2.98Å; A441-R444 VanDerWaalsContact O-CB 3.25Å; A441-R444 WeakPolarHBondContact O-CB 3.44Å; A441-R444 VanDerWaalsContact O-CG 3.26Å; A441-R444 WeakPolarHBondContact O-CG 3.42Å; A441-R444 PolarHBondContact O-N 3.28Å
442A85.4Confident81.2Confident11 Ų1135.7 Ų35.79%0.09119%0.189CC..Hα-helixtrans-61.5-37.2175.800000112.3F428 D438 L439 R444 C445 H446 V456F428-A442 HydrophobicContact CE2-CB 4.35Å; F428-A442 HydrophobicContact CZ-CB 4.36Å; D438-A442 WeakPolarHBondContact O-CB 3.36Å; D438-A442 PolarHBondContact O-N 3.06Å; L439-A442 PolarHBondContact O-N 2.62Å; A442-R444 PolarHBondContact O-N 3Å; A442-R444 VanDerWaalsContact O-N 3.1Å; A442-C445 PolarHBondContact O-N 3.4Å; A442-C445 VanDerWaalsContact O-N 3.1Å; A442-H446 PolarHBondContact O-N 3.16Å; A442-V456 HydrophobicContact CB-CG2 4.09Å
443A81.3Confident81.2Confident7 Ų736.5 Ų36.56%0.05820%0.196CC..THydrogen-bonded Turntrans-66-5.4175.100000114.6M62 L439 A441M62-A443 HydrophobicContact CB-CB 3.87Å; L439-A443 VanDerWaalsContact O-CB 3.23Å; L439-A443 WeakPolarHBondContact O-CB 3.32Å; L439-A443 PolarHBondContact O-N 2.79Å; A441-A443 VanDerWaalsContact C-N 3.3Å; A441-A443 PolarHBondContact O-N 2.98Å
444R82.4Confident81.7Confident11 Ų1131.8 Ų31.84%0.04218%0.175CC..THydrogen-bonded Turntrans-78.6-26.1171.3-52.3-66.6159.8-164.22.9112.5E163 G414 G415 G417 L418 L420 Q440 A441 A442E163-R444 IonicContact OE1-NH2 3.12Å; G414-R444 WeakPolarHBondContact O-CG 3.29Å; G415-R444 VanDerWaalsContact O-CZ 3.23Å; G415-R444 PolarHBondContact O-NE 2.89Å; G415-R444 PolarHBondContact O-NH2 3.34Å; G417-R444 VanDerWaalsContact C-NH1 3.31Å; G417-R444 VanDerWaalsContact CA-CZ 3.47Å; G417-R444 VanDerWaalsContact CA-NH1 3.28Å; G417-R444 VanDerWaalsContact N-NH2 3.1Å; L418-R444 WeakPolarHBondContact O-CD 3.22Å; L420-R444 CarbonylContact C-O 3.56Å; L420-R444 WeakPolarHBondContact CA-O 3.43Å; L420-R444 HydrophobicContact CB-CB 4.47Å; L420-R444 HydrophobicContact CD1-CB 4.36Å; L420-R444 PolarHBondContact N-O 2.76Å; Q440-R444 WeakPolarHBondContact O-CG 3.33Å; Q440-R444 PolarHBondContact O-NE 2.91Å; Q440-R444 VanDerWaalsContact O-NE 3.12Å; A441-R444 VanDerWaalsContact O-CB 3.25Å; A441-R444 WeakPolarHBondContact O-CB 3.44Å; A441-R444 VanDerWaalsContact O-CG 3.26Å; A441-R444 WeakPolarHBondContact O-CG 3.42Å; A441-R444 PolarHBondContact O-N 3.28Å; A442-R444 PolarHBondContact O-N 3Å; A442-R444 VanDerWaalsContact O-N 3.1Å
445C85.6Confident82.2Confident0 Ų029.9 Ų29.90%016%0.164CC..THydrogen-bonded Turntrans-94.2-44.3171.7-178.40000111.1L357 A423 V426 A442 R447 Q450 V454L357-C445 HydrophobicContact CD1-CB 4.01Å; A423-C445 PolarHBondContact O-SG 3.21Å; A423-C445 VanDerWaalsContact O-SG 3.36Å; V426-C445 HydrophobicContact CG2-CB 3.85Å; A442-C445 PolarHBondContact O-N 3.4Å; A442-C445 VanDerWaalsContact O-N 3.1Å; C445-R447 VanDerWaalsContact C-N 3.31Å; C445-R447 PolarHBondContact O-N 3.08Å; C445-Q450 PolarHBondContact O-NE2 3.16Å; C445-V454 HydrophobicContact CB-CG1 4.32Å
446H84.1Confident82.8Confident23 Ų2329.7 Ų29.711%0.10616%0.163CC..SBendtrans-84.169.2176.1-165.7-113000112.1K251 L258 P259 K261 A442 V454K251-H446 VanDerWaalsContact CD-CE1 3.48Å; K251-H446 WeakPolarHBondContact CD-CE1 3.47Å; K251-H446 PolarHBondContact NZ-O 2.86Å; L258-H446 VanDerWaalsContact CD2-CE1 3.46Å; L258-H446 WeakPolarHBondContact CD2-CE1 2.98Å; P259-H446 PolarHBondContact O-NE2 3.44Å; K261-H446 PolarHBondContact N-NE2 3.41Å; A442-H446 PolarHBondContact O-N 3.16Å; H446-V454 HydrophobicContact CB-CB 4.46Å; H446-V454 HydrophobicContact CB-CG1 4.39Å; H446-V454 HydrophobicContact CB-CG2 4.41Å
447R81.8Confident83.4Confident32 Ų3228.7 Ų28.712%0.12116%0.158CC..SBendtrans-129.9155.1179.3177.8163.7-178.1167.62.1110.7N419 T421 C445 G449 Q450N419-R447 VanDerWaalsContact OD1-CD 3.27Å; N419-R447 WeakPolarHBondContact OD1-CD 3.32Å; N419-R447 PolarHBondContact OD1-NE 2.98Å; N419-R447 PolarHBondContact OD1-NH1 3.17Å; T421-R447 HydrophobicContact CG2-CB 4.13Å; C445-R447 VanDerWaalsContact C-N 3.31Å; C445-R447 PolarHBondContact O-N 3.08Å; R447-G449 PolarHBondContact O-N 3.11Å; R447-Q450 WeakPolarHBondContact O-CB 3.46Å; R447-Q450 PolarHBondContact O-N 3.05Å
448I75.6Confident83.9Confident50 Ų5027 Ų2726%0.25615%0.148SC..THydrogen-bonded Turntrans-53.5131.1172.6-61176.6000109.7Y38 L64Y38-I448 WeakPolarHBondContact OH-CD1 3.49Å; L64-I448 HydrophobicContact CD2-CD1 4.33Å
449G76.7Confident84.1Confident50 Ų5026.9 Ų26.952%0.51515%0.148SC..THydrogen-bonded Turntrans100.3-3.2-166.600000113.9R447R447-G449 PolarHBondContact O-N 3.11Å
450Q82.3Confident84.4Confident10 Ų1023.8 Ų23.85%0.04713%0.131CC..  trans-80.9130163.2177.157.9-91.100110.5L258 T421 A423 C445 R447 R452 V454L258-Q450 HydrophobicContact CD1-CB 4.38Å; T421-Q450 HydrophobicContact CG2-CB 4.23Å; T421-Q450 PolarHBondContact O-NE2 2.87Å; A423-Q450 PolarHBondContact O-NE2 3.26Å; C445-Q450 PolarHBondContact O-NE2 3.16Å; R447-Q450 WeakPolarHBondContact O-CB 3.46Å; R447-Q450 PolarHBondContact O-N 3.05Å; Q450-R452 VanDerWaalsContact CG-O 3.27Å; Q450-R452 WeakPolarHBondContact CG-O 3.46Å; Q450-R452 PolarHBondContact OE1-O 2.87Å; Q450-V454 HydrophobicContact CG-CG2 3.56Å
451N80.8Confident84.5Confident147 Ų14722.4 Ų22.479%0.78613%0.125SC*.  trans-114-8.6-178-63.6-12.5000113.3
452R83.4Confident84.2Confident69 Ų6927.2 Ų27.226%0.2614%0.143SC..SBendtrans-107.2149176.4-64.8-177.3-175.9-168.56.5110.7D424 Q450 V454 G538D424-R452 HydrophobicContact CB-CB 4.05Å; D424-R452 WeakPolarHBondContact OD2-CD 3.25Å; D424-R452 IonicContact OD2-CZ 3.3Å; D424-R452 IonicContact OD2-NH1 2.7Å; D424-R452 PolarHBondContact OD2-NH1 3.04Å; Q450-R452 VanDerWaalsContact CG-O 3.27Å; Q450-R452 WeakPolarHBondContact CG-O 3.46Å; Q450-R452 PolarHBondContact OE1-O 2.87Å; R452-V454 PolarHBondContact O-N 3.13Å; R452-G538 PolarHBondContact NH1-O 2.82Å
453P83.8Confident83.8Confident36 Ų3628.5 Ų28.523%0.23415%0.148CC..  trans-59126.8167.222.6-29.7000110.4P259 W540P259-P453 HydrophobicContact CB-CB 4.3Å; P453-W540 HydrophobicContact CB-CB 4.49Å; P453-W540 HydrophobicContact CG-CB 4.09Å; P453-W540 WeakPolarHBondContact CG-O 3.31Å
454V87.8Confident83.9Confident1 Ų128.1 Ų28.11%0.00615%0.146CC..  trans-92.8132.2-176178.60000110.2K261 T262 D424 V426 C445 H446 Q450 R452K261-V454 WeakPolarHBondContact CA-O 3.42Å; T262-V454 PolarHBondContact N-O 3.44Å; D424-V454 WeakPolarHBondContact O-CA 3.23Å; V426-V454 HydrophobicContact CG2-CG1 4.48Å; C445-V454 HydrophobicContact CB-CG1 4.32Å; H446-V454 HydrophobicContact CB-CB 4.46Å; H446-V454 HydrophobicContact CB-CG1 4.39Å; H446-V454 HydrophobicContact CB-CG2 4.41Å; Q450-V454 HydrophobicContact CG-CG2 3.56Å; R452-V454 PolarHBondContact O-N 3.13Å
455K87.8Confident83.8Confident9 Ų927.8 Ų27.84%0.03914%0.144CC..EExtended strand (participates in β ladder)trans-117.9123.6178.5-168.5167.3-169-177.90112D424 T425 V426 I457 L532 W540D424-K455 PolarHBondContact O-N 3.28Å; T425-K455 CarbonylContact C-O 3.49Å; T425-K455 WeakPolarHBondContact CA-O 3.32Å; V426-K455 PolarHBondContact N-O 3.37Å; K455-I457 HydrophobicContact CG-CG1 4.3Å; K455-L532 VanDerWaalsContact NZ-C 3.35Å; K455-L532 VanDerWaalsContact NZ-CA 3.3Å; K455-L532 PolarHBondContact NZ-O 3.36Å; K455-W540 HydrophobicContact CB-CD2 4.39Å; K455-W540 HydrophobicContact CB-CG 4.29Å; K455-W540 HydrophobicContact CD-CD2 3.61Å; K455-W540 VanDerWaalsContact CD-CE2 3.49Å; K455-W540 HydrophobicContact CD-CE3 3.86Å; K455-W540 HydrophobicContact CD-CG 4.18Å; K455-W540 HydrophobicContact CD-CH2 3.93Å; K455-W540 HydrophobicContact CD-CZ2 3.66Å; K455-W540 HydrophobicContact CD-CZ3 4.02Å
456V89.9Confident83.7Confident4 Ų427.8 Ų27.82%0.02414%0.144CC..EExtended strand (participates in β ladder)trans-100.3129.9173.2-1780000108.6T262 E263 L264 V426 F428 A442T262-V456 PolarHBondContact O-N 3.13Å; E263-V456 CarbonylContact C-O 3.41Å; E263-V456 WeakPolarHBondContact CA-O 3.45Å; E263-V456 HydrophobicContact CB-CB 4.25Å; E263-V456 HydrophobicContact CG-CB 4.09Å; E263-V456 HydrophobicContact CG-CG1 4.04Å; L264-V456 PolarHBondContact N-O 3.13Å; V426-V456 HydrophobicContact CB-CG2 4.32Å; V426-V456 CarbonylContact O-C 3.55Å; V426-V456 WeakPolarHBondContact O-CA 3.23Å; F428-V456 HydrophobicContact CD2-CG1 3.81Å; F428-V456 HydrophobicContact CE2-CG1 3.7Å; A442-V456 HydrophobicContact CB-CG2 4.09Å
457I89.9Confident83.6Confident0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-123.2129.3178.2-59.9173.1000106.8L264 V266 T425 V426 V427 F428 K455 L459 L532L264-I457 CarbonylContact O-C 3.58Å; L264-I457 WeakPolarHBondContact O-CA 3.42Å; V266-I457 HydrophobicContact CG2-CG2 3.85Å; T425-I457 HydrophobicContact CG2-CD1 4Å; V426-I457 PolarHBondContact O-N 3.29Å; V427-I457 CarbonylContact C-O 3.41Å; V427-I457 WeakPolarHBondContact CA-O 3.25Å; V427-I457 HydrophobicContact CG2-CB 4.24Å; V427-I457 HydrophobicContact CG2-CD1 4.33Å; F428-I457 PolarHBondContact N-O 3.49Å; K455-I457 HydrophobicContact CG-CG1 4.3Å; I457-L459 HydrophobicContact CG2-CD2 4.1Å; I457-L532 HydrophobicContact CD1-CD2 3.8Å; I457-L532 HydrophobicContact CG1-CD2 4.45Å
458R90.1Very high83.4Confident10 Ų1027.3 Ų27.34%0.03814%0.144CC..EExtended strand (participates in β ladder)trans-113.5128.4172.4-62.4-178.7179.1-89.7-2109.5E263 L264 V266 F428 S431 D438E263-R458 IonicContact OE1-CZ 2.82Å; E263-R458 VanDerWaalsContact OE1-CZ 3.28Å; E263-R458 IonicContact OE1-NE 3.98Å; E263-R458 PolarHBondContact OE1-NE 2.84Å; E263-R458 IonicContact OE1-NH2 2.99Å; E263-R458 PolarHBondContact OE1-NH2 3.41Å; L264-R458 PolarHBondContact O-N 3.1Å; V266-R458 PolarHBondContact N-O 3.29Å; F428-R458 HydrophobicContact CB-CG 4.24Å; F428-R458 HydrophobicContact CD2-CG 4.25Å; S431-R458 PolarHBondContact OG-NH1 3.02Å; D438-R458 IonicContact OD2-CZ 3.85Å; D438-R458 IonicContact OD2-NH1 2.74Å; D438-R458 PolarHBondContact OD2-NH1 3.44Å
459L89.9Confident83.6Confident0 Ų025.4 Ų25.40%013%0.134CC..EExtended strand (participates in β ladder)trans-91.4127.5172.2-50.4-175.1000108.5V266 K336 L339 L340 I343 V427 F428 I457V266-L459 HydrophobicContact CB-CD2 4.41Å; K336-L459 HydrophobicContact CD-CB 4.46Å; K336-L459 HydrophobicContact CG-CB 4.22Å; K336-L459 HydrophobicContact CG-CD1 3.95Å; L339-L459 HydrophobicContact CD2-CD2 3.86Å; L339-L459 HydrophobicContact CG-CD2 4.4Å; L340-L459 HydrophobicContact CB-CD1 4.33Å; L340-L459 HydrophobicContact CD1-CD1 4.48Å; I343-L459 HydrophobicContact CD1-CD2 3.97Å; V427-L459 HydrophobicContact CG1-CD1 4.26Å; V427-L459 HydrophobicContact CG1-CG 4.21Å; F428-L459 PolarHBondContact O-N 3Å; I457-L459 HydrophobicContact CG2-CD2 4.1Å
460L86.7Confident83.9Confident0 Ų025 Ų250%012%0.117CC..EExtended strand (participates in β ladder)trans-135.5140.1174.3-61.3177.7000109.9V265 V266 Y267 H268 E466 Y470V265-L460 HydrophobicContact CG1-CD1 3.49Å; V265-L460 VanDerWaalsContact CG1-CD1 3.49Å; V265-L460 HydrophobicContact CG1-CG 4.1Å; V266-L460 PolarHBondContact O-N 3.03Å; Y267-L460 CarbonylContact C-O 3.56Å; Y267-L460 WeakPolarHBondContact CA-O 3.39Å; Y267-L460 HydrophobicContact CD1-CB 4.45Å; Y267-L460 HydrophobicContact CE1-CD1 4.49Å; H268-L460 VanDerWaalsContact CD2-C 3.47Å; H268-L460 PolarHBondContact CD2-O 2.72Å; H268-L460 PolarHBondContact N-O 2.87Å; L460-E466 HydrophobicContact CD2-CB 4.09Å; L460-Y470 HydrophobicContact CD1-CD1 3.6Å; L460-Y470 HydrophobicContact CD1-CD2 4.38Å; L460-Y470 HydrophobicContact CD1-CE1 4.34Å; L460-Y470 HydrophobicContact CD1-CG 3.63Å; L460-Y470 HydrophobicContact CD2-CG 4.47Å
461A83.3Confident83.6Confident0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans-84129.1170.200000111.9H268 M270 V310 T464H268-A461 WeakPolarHBondContact O-CA 3.47Å; M270-A461 HydrophobicContact CG-CB 4.31Å; V310-A461 HydrophobicContact CG1-CB 3.43Å; V310-A461 VanDerWaalsContact CG1-CB 3.43Å; A461-T464 HydrophobicContact CB-CG2 3.54Å; A461-T464 PolarHBondContact O-OG1 3.32Å
462R80.5Confident83.3Confident102 Ų10222.5 Ų22.539%0.38510%0.103SC..THydrogen-bonded Turntrans-60.4141.5176.6-65.8-177.8-176.7154.16112Y267 H268 T464Y267-R462 HydrophobicContact CD1-CG 3.93Å; Y267-R462 HydrophobicContact CG-CG 4.28Å; H268-R462 PolarHBondContact O-N 3.13Å; R462-T464 WeakPolarHBondContact O-CG2 3.34Å; R462-T464 PolarHBondContact O-N 2.87Å
463D77.1Confident82.8Confident37 Ų3719.6 Ų19.620%0.1989%0.093CC..THydrogen-bonded Turntrans60.628.8175.6-56.8-56.9000113.4E467 K514 L515D463-E467 PolarHBondContact N-OE2 3.44Å; D463-K514 HydrophobicContact CB-CD 4.2Å; D463-K514 WeakPolarHBondContact OD1-CD 3.3Å; D463-K514 WeakPolarHBondContact OD1-CE 3.43Å; D463-K514 IonicContact OD1-NZ 3.95Å; D463-K514 PolarHBondContact OD1-NZ 3.33Å; D463-K514 WeakPolarHBondContact OD2-CD 3.39Å; D463-K514 IonicContact OD2-NZ 2.92Å; D463-L515 WeakPolarHBondContact O-CD1 3.42Å
464T81.8Confident82.3Confident0 Ų018.9 Ų18.90%09%0.088CC..SBendtrans-119.7169.2179.875.20000113.5M270 V310 A461 R462 E466 E467M270-T464 HydrophobicContact CG-CG2 4.41Å; M270-T464 HydrophobicContact SD-CG2 3.55Å; M270-T464 VanDerWaalsContact SD-CG2 3.55Å; V310-T464 HydrophobicContact CG2-CG2 4.02Å; A461-T464 HydrophobicContact CB-CG2 3.54Å; A461-T464 PolarHBondContact O-OG1 3.32Å; R462-T464 WeakPolarHBondContact O-CG2 3.34Å; R462-T464 PolarHBondContact O-N 2.87Å; T464-E466 PolarHBondContact O-N 3.33Å; T464-E466 VanDerWaalsContact O-N 3.11Å; T464-E466 PolarHBondContact OG1-N 2.99Å; T464-E467 WeakPolarHBondContact O-CB 3.23Å; T464-E467 PolarHBondContact O-N 3.42Å
465V81.6Confident81.4Confident3 Ų321.1 Ų21.12%0.01810%0.104CC..Hα-helixtrans-48-33.3169.6165.30000113.7Y278 L303 L306 E467 M469 I507 L508Y278-V465 PolarHBondContact OH-N 3.29Å; L303-V465 HydrophobicContact CD1-CG1 3.51Å; L303-V465 HydrophobicContact CD1-CG2 4.39Å; L303-V465 HydrophobicContact CG-CG1 4.3Å; L306-V465 HydrophobicContact CB-CG2 4.47Å; L306-V465 HydrophobicContact CD1-CG2 3.92Å; V465-E467 VanDerWaalsContact C-N 3.29Å; V465-E467 PolarHBondContact O-N 2.88Å; V465-M469 VanDerWaalsContact O-CB 3.25Å; V465-M469 WeakPolarHBondContact O-CB 3.46Å; V465-M469 PolarHBondContact O-N 3.5Å; V465-I507 HydrophobicContact CB-CG2 4.44Å; V465-I507 HydrophobicContact CG1-CG2 4.02Å; V465-I507 HydrophobicContact CG2-CG2 4.04Å; V465-L508 HydrophobicContact CG2-CD2 4.22Å
466E82.8Confident80.5Confident0 Ų024.7 Ų24.70%012%0.119CC..Hα-helixtrans-64.8-33.9-179.9-67.2-157.4123.600112.7V310 K336 L460 T464 M469 Y470V310-E466 HydrophobicContact CG1-CG 3.95Å; V310-E466 WeakPolarHBondContact CG1-OE2 3.3Å; K336-E466 VanDerWaalsContact NZ-CD 3.26Å; K336-E466 IonicContact NZ-OE1 2.76Å; K336-E466 PolarHBondContact NZ-OE1 2.68Å; K336-E466 IonicContact NZ-OE2 3.91Å; K336-E466 PolarHBondContact NZ-OE2 3.29Å; L460-E466 HydrophobicContact CD2-CB 4.09Å; T464-E466 PolarHBondContact O-N 3.33Å; T464-E466 VanDerWaalsContact O-N 3.11Å; T464-E466 PolarHBondContact OG1-N 2.99Å; E466-M469 PolarHBondContact O-N 3.02Å; E466-Y470 WeakPolarHBondContact O-CB 3.47Å; E466-Y470 PolarHBondContact O-N 3.07Å
467E82.4Confident79.4Confident28 Ų2826.4 Ų26.413%0.13113%0.128CC..Hα-helixtrans-69.3-43.9-177-175.6163.9-164.700111.7Y267 D463 T464 V465 Y470 S471Y267-E467 HydrophobicContact CE1-CG 4.13Å; Y267-E467 WeakPolarHBondContact CE1-OE1 3.45Å; D463-E467 PolarHBondContact N-OE2 3.44Å; T464-E467 WeakPolarHBondContact O-CB 3.23Å; T464-E467 PolarHBondContact O-N 3.42Å; V465-E467 VanDerWaalsContact C-N 3.29Å; V465-E467 PolarHBondContact O-N 2.88Å; E467-Y470 PolarHBondContact O-N 3.45Å; E467-S471 PolarHBondContact O-N 3.22Å
468I77.6Confident78.2Confident17 Ų1730.8 Ų30.89%0.08715%0.149CC..Hα-helixtrans-70.6-38.5175-45.8164.3000111.1Y470 S471 R472 I507 F510I468-Y470 VanDerWaalsContact C-N 3.27Å; I468-Y470 PolarHBondContact O-N 3.4Å; I468-S471 PolarHBondContact O-N 3.36Å; I468-S471 PolarHBondContact O-OG 2.85Å; I468-R472 HydrophobicContact CG2-CG 4.14Å; I468-R472 VanDerWaalsContact O-CB 3.31Å; I468-R472 WeakPolarHBondContact O-CB 3.22Å; I468-R472 WeakPolarHBondContact O-CG 3.41Å; I468-R472 PolarHBondContact O-N 2.67Å; I468-I507 HydrophobicContact CD1-CB 4.41Å; I468-I507 HydrophobicContact CD1-CG2 4.31Å; I468-I507 WeakPolarHBondContact CD1-O 3.44Å; I468-I507 HydrophobicContact CG2-CG1 3.95Å; I468-F510 HydrophobicContact CD1-CB 3.33Å; I468-F510 HydrophobicContact CD1-CD1 3.42Å; I468-F510 VanDerWaalsContact CD1-CD1 3.42Å; I468-F510 HydrophobicContact CD1-CD2 4.14Å; I468-F510 HydrophobicContact CD1-CE1 4.2Å; I468-F510 HydrophobicContact CD1-CG 3.38Å; I468-F510 HydrophobicContact CG1-CB 4.37Å; I468-F510 HydrophobicContact CG1-CD1 3.65Å; I468-F510 HydrophobicContact CG1-CD2 4.35Å; I468-F510 HydrophobicContact CG1-CE1 3.91Å; I468-F510 HydrophobicContact CG1-CG 3.89Å; I468-F510 HydrophobicContact CG1-CZ 4.36Å
469M78.9Confident76.6Confident10 Ų1034.4 Ų34.45%0.04917%0.168CC..Hα-helixtrans-60.3-42.9175.7-176.8-175.174.600110.1R307 S431 F433 V465 E466 A473R307-M469 PolarHBondContact NH1-SD 3.38Å; S431-M469 WeakPolarHBondContact O-CE 3.43Å; F433-M469 HydrophobicContact CD1-CG 3.71Å; F433-M469 HydrophobicContact CD1-SD 3.73Å; F433-M469 HydrophobicContact CD2-SD 4.35Å; F433-M469 HydrophobicContact CE1-CG 3.72Å; F433-M469 HydrophobicContact CE1-SD 3.45Å; F433-M469 WeakPolarHBondContact CE1-SD 3.42Å; F433-M469 HydrophobicContact CE2-SD 4.12Å; F433-M469 HydrophobicContact CG-CG 4.5Å; F433-M469 HydrophobicContact CG-SD 4.17Å; F433-M469 HydrophobicContact CZ-SD 3.66Å; V465-M469 VanDerWaalsContact O-CB 3.25Å; V465-M469 WeakPolarHBondContact O-CB 3.46Å; V465-M469 PolarHBondContact O-N 3.5Å; E466-M469 PolarHBondContact O-N 3.02Å; M469-A473 WeakPolarHBondContact O-CB 3.34Å; M469-A473 PolarHBondContact O-N 3.1Å
470Y82.8Confident75.2Confident42 Ų4235.4 Ų35.417%0.16518%0.175CC..Hα-helixtrans-67.7-45.9174.7-178-106.6000112.5V265 L460 E466 E467 I468 R472 A473 V474V265-Y470 HydrophobicContact CG2-CE1 3.65Å; V265-Y470 WeakPolarHBondContact CG2-OH 3.3Å; L460-Y470 HydrophobicContact CD1-CD1 3.6Å; L460-Y470 HydrophobicContact CD1-CD2 4.38Å; L460-Y470 HydrophobicContact CD1-CE1 4.34Å; L460-Y470 HydrophobicContact CD1-CG 3.63Å; L460-Y470 HydrophobicContact CD2-CG 4.47Å; E466-Y470 WeakPolarHBondContact O-CB 3.47Å; E466-Y470 PolarHBondContact O-N 3.07Å; E467-Y470 PolarHBondContact O-N 3.45Å; I468-Y470 VanDerWaalsContact C-N 3.27Å; I468-Y470 PolarHBondContact O-N 3.4Å; Y470-R472 PolarHBondContact O-N 3.21Å; Y470-A473 CarbonylContact O-C 3.59Å; Y470-A473 WeakPolarHBondContact O-CA 3.31Å; Y470-A473 WeakPolarHBondContact O-CB 3.26Å; Y470-A473 PolarHBondContact O-N 2.74Å; Y470-A473 VanDerWaalsContact O-N 3.09Å; Y470-V474 HydrophobicContact CD1-CG2 4.06Å; Y470-V474 HydrophobicContact CD2-CG2 4.26Å; Y470-V474 HydrophobicContact CE1-CG2 3.54Å; Y470-V474 HydrophobicContact CE2-CG2 3.76Å; Y470-V474 HydrophobicContact CG-CG2 4.39Å; Y470-V474 WeakPolarHBondContact O-CG2 3.49Å; Y470-V474 PolarHBondContact O-N 3.4Å
471S76.8Confident73.9Confident41 Ų4138.9 Ų38.929%0.28719%0.193SC..Hα-helixtrans-62.8-45.1179.473.50000111.9E467 I468 A473 V474 S475E467-S471 PolarHBondContact O-N 3.22Å; I468-S471 PolarHBondContact O-N 3.36Å; I468-S471 PolarHBondContact O-OG 2.85Å; S471-A473 VanDerWaalsContact C-N 3.25Å; S471-A473 PolarHBondContact O-N 3.09Å; S471-V474 PolarHBondContact O-N 2.83Å; S471-S475 PolarHBondContact O-N 3.22Å; S471-S475 PolarHBondContact O-OG 3.12Å; S471-S475 VanDerWaalsContact O-OG 3.14Å
472R73.4Confident72.5Confident64 Ų6442 Ų4224%0.24221%0.212CC..Hα-helixtrans-63.8-29.2173.8-68.9-177.3173.4-170.9-4.3111.9I468 Y470 K476 Q503 E506 D571I468-R472 HydrophobicContact CG2-CG 4.14Å; I468-R472 VanDerWaalsContact O-CB 3.31Å; I468-R472 WeakPolarHBondContact O-CB 3.22Å; I468-R472 WeakPolarHBondContact O-CG 3.41Å; I468-R472 PolarHBondContact O-N 2.67Å; Y470-R472 PolarHBondContact O-N 3.21Å; R472-K476 VanDerWaalsContact O-CG 3.26Å; R472-K476 WeakPolarHBondContact O-CG 3.44Å; R472-K476 PolarHBondContact O-N 3.04Å; R472-Q503 PolarHBondContact NH1-O 2.99Å; R472-E506 IonicContact CZ-OE2 3.94Å; R472-E506 IonicContact NH1-OE2 2.78Å; R472-E506 IonicContact NH2-OE2 3.16Å; R472-E506 PolarHBondContact NH2-OE2 2.95Å; R472-D571 IonicContact NH2-OD1 2.72Å
473A73.3Confident71.2Confident7 Ų737.9 Ų37.96%0.05820%0.199CC..Hα-helixtrans-73.9-42.5172.300000112.8P435 M469 Y470 S471 K476 L477P435-A473 HydrophobicContact CB-CB 4.06Å; P435-A473 HydrophobicContact CG-CB 3.94Å; P435-A473 WeakPolarHBondContact CG-O 3.26Å; M469-A473 WeakPolarHBondContact O-CB 3.34Å; M469-A473 PolarHBondContact O-N 3.1Å; Y470-A473 CarbonylContact O-C 3.59Å; Y470-A473 WeakPolarHBondContact O-CA 3.31Å; Y470-A473 WeakPolarHBondContact O-CB 3.26Å; Y470-A473 PolarHBondContact O-N 2.74Å; Y470-A473 VanDerWaalsContact O-N 3.09Å; S471-A473 VanDerWaalsContact C-N 3.25Å; S471-A473 PolarHBondContact O-N 3.09Å; A473-K476 WeakPolarHBondContact O-CB 3.27Å; A473-K476 PolarHBondContact O-N 3.32Å; A473-L477 PolarHBondContact O-N 2.75Å
474V74.3Confident70.3Confident21 Ų2138.4 Ų38.413%0.12720%0.201CC..Hα-helixtrans-61.1-46.5174.4170.10000110.7Y470 S471 K476 L477 Q478Y470-V474 HydrophobicContact CD1-CG2 4.06Å; Y470-V474 HydrophobicContact CD2-CG2 4.26Å; Y470-V474 HydrophobicContact CE1-CG2 3.54Å; Y470-V474 HydrophobicContact CE2-CG2 3.76Å; Y470-V474 HydrophobicContact CG-CG2 4.39Å; Y470-V474 WeakPolarHBondContact O-CG2 3.49Å; Y470-V474 PolarHBondContact O-N 3.4Å; S471-V474 PolarHBondContact O-N 2.83Å; V474-K476 VanDerWaalsContact C-N 3.27Å; V474-K476 PolarHBondContact O-N 3.35Å; V474-L477 WeakPolarHBondContact O-CB 3.14Å; V474-L477 PolarHBondContact O-N 3.25Å; V474-Q478 HydrophobicContact CG1-CG 4.27Å; V474-Q478 WeakPolarHBondContact O-CG 3.38Å; V474-Q478 PolarHBondContact O-N 2.91Å
475S69Low68.8Low48 Ų4845.6 Ų45.634%0.33623%0.234SC..Hα-helixtrans-60.6-37175.6-56.70000111.9S471 Q478 L479S471-S475 PolarHBondContact O-N 3.22Å; S471-S475 PolarHBondContact O-OG 3.12Å; S471-S475 VanDerWaalsContact O-OG 3.14Å; S475-Q478 PolarHBondContact O-N 3.04Å; S475-L479 VanDerWaalsContact O-CB 3.29Å; S475-L479 WeakPolarHBondContact O-CB 3.39Å; S475-L479 WeakPolarHBondContact O-CG 3.39Å; S475-L479 PolarHBondContact O-N 3.04Å
476K67.8Low67Low84 Ų8450.6 Ų50.637%0.36526%0.258SS..Hα-helixtrans-64.6-39172.1-77.3176.8179.6-163.30112.7R472 A473 V474 T480 Q496R472-K476 VanDerWaalsContact O-CG 3.26Å; R472-K476 WeakPolarHBondContact O-CG 3.44Å; R472-K476 PolarHBondContact O-N 3.04Å; A473-K476 WeakPolarHBondContact O-CB 3.27Å; A473-K476 PolarHBondContact O-N 3.32Å; V474-K476 VanDerWaalsContact C-N 3.27Å; V474-K476 PolarHBondContact O-N 3.35Å; K476-T480 WeakPolarHBondContact O-CB 3.14Å; K476-T480 PolarHBondContact O-N 3.17Å; K476-T480 PolarHBondContact O-OG1 2.76Å; K476-Q496 VanDerWaalsContact CE-OE1 3.25Å
477L67.4Low65.3Low40 Ų4051.1 Ų51.121%0.20926%0.263CS..Hα-helixtrans-66.6-47.2173.1-75.2-175.2000112.2P435 A473 V474 L479 T480 N481P435-L477 HydrophobicContact CB-CD1 3.87Å; P435-L477 HydrophobicContact CB-CD2 3.95Å; P435-L477 HydrophobicContact CB-CG 3.71Å; P435-L477 HydrophobicContact CG-CD1 4.37Å; P435-L477 HydrophobicContact CG-CD2 3.77Å; P435-L477 HydrophobicContact CG-CG 3.64Å; A473-L477 PolarHBondContact O-N 2.75Å; V474-L477 WeakPolarHBondContact O-CB 3.14Å; V474-L477 PolarHBondContact O-N 3.25Å; L477-L479 PolarHBondContact O-N 3.43Å; L477-T480 CarbonylContact O-C 3.58Å; L477-T480 WeakPolarHBondContact O-CA 3.28Å; L477-T480 WeakPolarHBondContact O-CB 3.37Å; L477-T480 PolarHBondContact O-N 3.5Å; L477-N481 PolarHBondContact O-N 3.46Å; L477-N481 PolarHBondContact O-OD1 3.27Å
478Q64.1Low63.4Low92 Ų9255.7 Ų55.743%0.4328%0.279SS..Hα-helixtrans-59.3-48179.9-73174-18.300110.9V474 S475 T480 N481 T482V474-Q478 HydrophobicContact CG1-CG 4.27Å; V474-Q478 WeakPolarHBondContact O-CG 3.38Å; V474-Q478 PolarHBondContact O-N 2.91Å; S475-Q478 PolarHBondContact O-N 3.04Å; Q478-T480 PolarHBondContact O-N 2.63Å; Q478-N481 PolarHBondContact O-N 3.42Å; Q478-T482 PolarHBondContact O-N 3.31Å; Q478-T482 PolarHBondContact O-OG1 3.08Å
479L58Low61.8Low86 Ų8655.7 Ų55.745%0.4528%0.278SS..Hα-helixtrans-63.2-23.5172.6-70170.3000113.5S475 L477 V483 L492S475-L479 VanDerWaalsContact O-CB 3.29Å; S475-L479 WeakPolarHBondContact O-CB 3.39Å; S475-L479 WeakPolarHBondContact O-CG 3.39Å; S475-L479 PolarHBondContact O-N 3.04Å; L477-L479 PolarHBondContact O-N 3.43Å; L479-V483 WeakPolarHBondContact O-CB 3.48Å; L479-V483 WeakPolarHBondContact O-CG2 3.33Å; L479-L492 HydrophobicContact CD1-CD2 4.23Å
480T59.8Low60Low22 Ų2256.5 Ų56.514%0.13529%0.285CS..Hα-helixtrans-79.9-38.4173.6-58.50000111K476 L477 Q478 V483 I484K476-T480 WeakPolarHBondContact O-CB 3.14Å; K476-T480 PolarHBondContact O-N 3.17Å; K476-T480 PolarHBondContact O-OG1 2.76Å; L477-T480 CarbonylContact O-C 3.58Å; L477-T480 WeakPolarHBondContact O-CA 3.28Å; L477-T480 WeakPolarHBondContact O-CB 3.37Å; L477-T480 PolarHBondContact O-N 3.5Å; Q478-T480 PolarHBondContact O-N 2.63Å; T480-V483 WeakPolarHBondContact O-CB 3.49Å; T480-I484 HydrophobicContact CG2-CD1 3.78Å; T480-I484 WeakPolarHBondContact O-CD1 3.47Å; T480-I484 WeakPolarHBondContact O-CG1 2.96Å; T480-I484 PolarHBondContact O-N 3.5Å
481N59.1Low58.3Low72 Ų7255.5 Ų55.539%0.38528%0.282SS..Hα-helixtrans-73.7-48.2-177.1-68.9-4.1000112.1L477 Q478 V483 I484 E485L477-N481 PolarHBondContact O-N 3.46Å; L477-N481 PolarHBondContact O-OD1 3.27Å; Q478-N481 PolarHBondContact O-N 3.42Å; N481-V483 PolarHBondContact O-N 3.26Å; N481-I484 WeakPolarHBondContact O-CA 3.49Å; N481-I484 PolarHBondContact O-N 3.13Å; N481-E485 WeakPolarHBondContact O-CB 3.5Å; N481-E485 WeakPolarHBondContact O-CG 3.45Å; N481-E485 PolarHBondContact O-N 3.12Å
482T54.8Low56.9Low66 Ų6654.9 Ų54.941%0.40528%0.276SS..Hα-helixtrans-59.6-37.3178.154.60000111.9Q478 I484 E485 E486Q478-T482 PolarHBondContact O-N 3.31Å; Q478-T482 PolarHBondContact O-OG1 3.08Å; T482-I484 VanDerWaalsContact C-N 3.3Å; T482-I484 PolarHBondContact O-N 2.94Å; T482-E485 PolarHBondContact O-N 3.17Å; T482-E486 VanDerWaalsContact O-CB 3.3Å; T482-E486 WeakPolarHBondContact O-CB 3.5Å; T482-E486 WeakPolarHBondContact O-CG 3.26Å; T482-E486 PolarHBondContact O-N 3.5Å
483V52.3Low55.4Low16 Ų1655.7 Ų55.710%0.09729%0.285CS..Hα-helixtrans-57.8-38.9171.7161.10000113.3L479 T480 N481 G487 R488 S490L479-V483 WeakPolarHBondContact O-CB 3.48Å; L479-V483 WeakPolarHBondContact O-CG2 3.33Å; T480-V483 WeakPolarHBondContact O-CB 3.49Å; N481-V483 PolarHBondContact O-N 3.26Å; V483-G487 CarbonylContact O-C 3.47Å; V483-G487 VanDerWaalsContact O-C 3.3Å; V483-G487 WeakPolarHBondContact O-CA 3.23Å; V483-G487 PolarHBondContact O-N 2.96Å; V483-R488 WeakPolarHBondContact CG2-O 3.32Å; V483-R488 PolarHBondContact O-N 2.98Å; V483-R488 VanDerWaalsContact O-N 3.12Å; V483-S490 VanDerWaalsContact CG2-OG 3.26Å; V483-S490 WeakPolarHBondContact CG2-OG 3.46Å
484I57.3Low53.7Low48 Ų4863.3 Ų63.325%0.24632%0.319CS..Hα-helixtrans-82-38.2-177.1-70.8162.2000110.8T480 N481 T482T480-I484 HydrophobicContact CG2-CD1 3.78Å; T480-I484 WeakPolarHBondContact O-CD1 3.47Å; T480-I484 WeakPolarHBondContact O-CG1 2.96Å; T480-I484 PolarHBondContact O-N 3.5Å; N481-I484 WeakPolarHBondContact O-CA 3.49Å; N481-I484 PolarHBondContact O-N 3.13Å; T482-I484 VanDerWaalsContact C-N 3.3Å; T482-I484 PolarHBondContact O-N 2.94Å
485E52.3Low51.9Low150 Ų15067 Ų6770%0.70134%0.342SS*.Hα-helixtrans-80.6-39.6-176.2-70166.4-173.900112.4N481 T482 G487N481-E485 WeakPolarHBondContact O-CB 3.5Å; N481-E485 WeakPolarHBondContact O-CG 3.45Å; N481-E485 PolarHBondContact O-N 3.12Å; T482-E485 PolarHBondContact O-N 3.17Å; E485-G487 VanDerWaalsContact C-N 3.3Å
486E43.6Very low50.6Low109 Ų10966.7 Ų66.751%0.50934%0.335SS..SBendtrans-83.7-3.6172.5-58.8-168.712700113.3T482 R488T482-E486 VanDerWaalsContact O-CB 3.3Å; T482-E486 WeakPolarHBondContact O-CB 3.5Å; T482-E486 WeakPolarHBondContact O-CG 3.26Å; T482-E486 PolarHBondContact O-N 3.5Å; E486-R488 HydrophobicContact CB-CB 4.35Å; E486-R488 HydrophobicContact CB-CG 3.97Å; E486-R488 PolarHBondContact O-N 3.18Å; E486-R488 VanDerWaalsContact O-N 3.1Å; E486-R488 IonicContact OE1-CZ 2.73Å; E486-R488 IonicContact OE1-NH1 3.38Å; E486-R488 PolarHBondContact OE1-NH1 3.33Å; E486-R488 WeakPolarHBondContact OE2-CD 3.06Å; E486-R488 IonicContact OE2-CZ 3.68Å; E486-R488 IonicContact OE2-NE 3.21Å; E486-R488 IonicContact OE2-NH1 3.14Å; E486-R488 PolarHBondContact OE2-NH1 2.81Å
487G45.5Very low49.1Very low10 Ų1067.2 Ų67.210%0.10335%0.349CS..  trans65.72.9-171.600000115A235 V483 E485 F489A235-G487 WeakPolarHBondContact CB-O 3.44Å; V483-G487 CarbonylContact O-C 3.47Å; V483-G487 VanDerWaalsContact O-C 3.3Å; V483-G487 WeakPolarHBondContact O-CA 3.23Å; V483-G487 PolarHBondContact O-N 2.96Å; E485-G487 VanDerWaalsContact C-N 3.3Å; G487-F489 WeakPolarHBondContact O-CD2 3.24Å; G487-F489 WeakPolarHBondContact O-CE2 3.09Å; G487-F489 PolarHBondContact O-N 3.31Å; G487-F489 VanDerWaalsContact O-N 3.11Å
488R42.5Very low47.3Very low124 Ų12469.2 Ų69.247%0.46837%0.372SS..  trans-82.281.6-174.4-66.3-174.8-173.5142.7-1.8112.2V483 E486 S490V483-R488 WeakPolarHBondContact CG2-O 3.32Å; V483-R488 PolarHBondContact O-N 2.98Å; V483-R488 VanDerWaalsContact O-N 3.12Å; E486-R488 HydrophobicContact CB-CB 4.35Å; E486-R488 HydrophobicContact CB-CG 3.97Å; E486-R488 PolarHBondContact O-N 3.18Å; E486-R488 VanDerWaalsContact O-N 3.1Å; E486-R488 IonicContact OE1-CZ 2.73Å; E486-R488 IonicContact OE1-NH1 3.38Å; E486-R488 PolarHBondContact OE1-NH1 3.33Å; E486-R488 WeakPolarHBondContact OE2-CD 3.06Å; E486-R488 IonicContact OE2-CZ 3.68Å; E486-R488 IonicContact OE2-NE 3.21Å; E486-R488 IonicContact OE2-NH1 3.14Å; E486-R488 PolarHBondContact OE2-NH1 2.81Å; R488-S490 PolarHBondContact O-N 3.27Å
489F45.3Very low45.9Very low17 Ų1766 Ų668%0.07536%0.36CS..  trans-4899.6180-56.1-94.3000114.2I194 V228 A235 L238 Q239 L242 G487I194-F489 HydrophobicContact CD1-CD1 4.25Å; I194-F489 HydrophobicContact CD1-CE1 3.82Å; V228-F489 HydrophobicContact CB-CB 4.47Å; V228-F489 HydrophobicContact CG1-CB 3.81Å; V228-F489 HydrophobicContact CG1-CD2 4.35Å; V228-F489 WeakPolarHBondContact CG1-O 3.09Å; A235-F489 HydrophobicContact CB-CD2 4.32Å; L238-F489 HydrophobicContact CB-CD2 4.13Å; L238-F489 HydrophobicContact CB-CE2 3.98Å; L238-F489 HydrophobicContact CD2-CB 4.18Å; L238-F489 HydrophobicContact CD2-CD1 3.96Å; L238-F489 HydrophobicContact CD2-CD2 3.64Å; L238-F489 HydrophobicContact CD2-CE1 4.28Å; L238-F489 HydrophobicContact CD2-CE2 4Å; L238-F489 HydrophobicContact CD2-CG 3.65Å; L238-F489 HydrophobicContact CD2-CZ 4.31Å; L238-F489 HydrophobicContact CG-CD2 3.96Å; L238-F489 HydrophobicContact CG-CE1 4.39Å; L238-F489 HydrophobicContact CG-CE2 3.8Å; L238-F489 HydrophobicContact CG-CG 4.36Å; L238-F489 HydrophobicContact CG-CZ 4.04Å; Q239-F489 HydrophobicContact CB-CE2 4.38Å; L242-F489 HydrophobicContact CD1-CE1 3.75Å; L242-F489 HydrophobicContact CD1-CZ 3.6Å; G487-F489 WeakPolarHBondContact O-CD2 3.24Å; G487-F489 WeakPolarHBondContact O-CE2 3.09Å; G487-F489 PolarHBondContact O-N 3.31Å; G487-F489 VanDerWaalsContact O-N 3.11Å
490S40.1Very low45.4Very low27 Ų2763.7 Ų63.719%0.18935%0.354CS..  trans-96.4131.3168.7107.80000110.6V483 R488V483-S490 VanDerWaalsContact CG2-OG 3.26Å; V483-S490 WeakPolarHBondContact CG2-OG 3.46Å; R488-S490 PolarHBondContact O-N 3.27Å
491L47.2Very low44.7Very low21 Ų2163.5 Ų63.511%0.1136%0.356CS..  trans-119.1100-163.8-61.2166.4000108.8L198 Y225 R229 D493L198-L491 HydrophobicContact CD1-CD1 3.49Å; L198-L491 VanDerWaalsContact CD1-CD1 3.49Å; L198-L491 HydrophobicContact CD2-CD1 4.04Å; L198-L491 HydrophobicContact CD2-CD2 3.85Å; L198-L491 HydrophobicContact CG-CD1 3.5Å; L198-L491 HydrophobicContact CG-CD2 3.7Å; L198-L491 HydrophobicContact CG-CG 4.22Å; Y225-L491 WeakPolarHBondContact O-CD1 3.44Å; R229-L491 PolarHBondContact NH1-O 2.86Å; R229-L491 PolarHBondContact NH2-O 3.18Å; L491-D493 PolarHBondContact O-N 3.33Å
492L48.4Very low44Very low28 Ų2864.7 Ų64.715%0.14736%0.362CS..  trans-83.5-17.9-149.1-74.2165.9000116.2L479 Q496L479-L492 HydrophobicContact CD1-CD2 4.23Å; L492-Q496 PolarHBondContact O-NE2 3.25Å
493D41.9Very low44.3Very low81 Ų8164.8 Ų64.843%0.43336%0.358SS..SBendtrans-90.5-29.4-158.1-96.5-16.5000117.8L491 V495 Q496L491-D493 PolarHBondContact O-N 3.33Å; D493-V495 PolarHBondContact O-N 3.18Å; D493-Q496 PolarHBondContact O-N 2.97Å
494Q38.2Very low44.9Very low167 Ų16765 Ų6578%0.7836%0.359SS*.THydrogen-bonded Turntrans-62.4-21.8-170-84.3-173.8-16.200114.9
495V34.6Very low45.2Very low99 Ų9964.3 Ų64.360%0.636%0.358SS*.THydrogen-bonded Turntrans-86.5-27.7174.7-1770000111.9D493 A499D493-V495 PolarHBondContact O-N 3.18Å; V495-A499 WeakPolarHBondContact O-CB 3.33Å; V495-A499 PolarHBondContact O-N 3Å
496Q41.7Very low45.8Very low41 Ų4160.2 Ų60.219%0.19234%0.339CS..Hα-helixtrans-79.9-32.3-166.5-69.3-176.85500113.8K476 L492 D493 A498 A499 A500K476-Q496 VanDerWaalsContact CE-OE1 3.25Å; L492-Q496 PolarHBondContact O-NE2 3.25Å; D493-Q496 PolarHBondContact O-N 2.97Å; Q496-A498 VanDerWaalsContact C-N 3.3Å; Q496-A498 PolarHBondContact O-N 3.48Å; Q496-A499 PolarHBondContact O-N 2Å; Q496-A500 WeakPolarHBondContact O-CB 3.45Å; Q496-A500 PolarHBondContact O-N 2.78Å
497S37Very low47Very low96 Ų9655.9 Ų55.967%0.67132%0.319SS*.Hα-helixtrans-64.6-33.1-176.9-167.60000113.6K296K296-S497 PolarHBondContact NZ-O 3.08Å
498A30.2Very low48Very low82 Ų8255.4 Ų55.468%0.67831%0.314SS*.Hα-helixtrans-75.8-53.7170.200000111.2Q496 A500Q496-A498 VanDerWaalsContact C-N 3.3Å; Q496-A498 PolarHBondContact O-N 3.48Å; A498-A500 VanDerWaalsContact C-N 3.27Å; A498-A500 PolarHBondContact O-N 2.88Å
499A35Very low49.2Very low23 Ų2351.9 Ų51.919%0.1930%0.302CS..Hα-helixtrans-62.5-28-175.100000114.2V495 Q496 G501 L502 Q503V495-A499 WeakPolarHBondContact O-CB 3.33Å; V495-A499 PolarHBondContact O-N 3Å; Q496-A499 PolarHBondContact O-N 2Å; A499-G501 PolarHBondContact O-N 3.21Å; A499-L502 PolarHBondContact O-N 2.9Å; A499-L502 VanDerWaalsContact O-N 3.09Å; A499-Q503 HydrophobicContact CB-CG 4.22Å; A499-Q503 WeakPolarHBondContact O-CB 3.36Å; A499-Q503 WeakPolarHBondContact O-CG 3.44Å; A499-Q503 PolarHBondContact O-N 3.1Å
500A46.2Very low50.3Low38 Ų3852.6 Ų52.631%0.31431%0.305SS..THydrogen-bonded Turntrans-58.6-15.6-176.500000115.5Q496 A498 L504Q496-A500 WeakPolarHBondContact O-CB 3.45Å; Q496-A500 PolarHBondContact O-N 2.78Å; A498-A500 VanDerWaalsContact C-N 3.27Å; A498-A500 PolarHBondContact O-N 2.88Å; A500-L504 WeakPolarHBondContact O-CD1 3.34Å; A500-L504 VanDerWaalsContact O-CG 3.24Å; A500-L504 WeakPolarHBondContact O-CG 3.25Å
501G45.5Very low51.4Low18 Ų1851.3 Ų51.319%0.18630%0.297CS..THydrogen-bonded Turntrans-72.6-57.6169.700000111.9A499 L504A499-G501 PolarHBondContact O-N 3.21Å; G501-L504 PolarHBondContact O-N 3.44Å
502L44.7Very low52.4Low97 Ų9750.6 Ų50.651%0.50829%0.293SS..Hα-helixtrans-64.3-41.9179-60.6169000111.2A499 L504 S505 E506A499-L502 PolarHBondContact O-N 2.9Å; A499-L502 VanDerWaalsContact O-N 3.09Å; L502-L504 PolarHBondContact O-N 3.04Å; L502-L504 VanDerWaalsContact O-N 3.09Å; L502-S505 PolarHBondContact O-N 2.91Å; L502-S505 VanDerWaalsContact O-N 3.14Å; L502-S505 PolarHBondContact O-OG 2.78Å; L502-E506 WeakPolarHBondContact O-CG 3.29Å; L502-E506 PolarHBondContact O-N 3.44Å
503Q59.9Low53.1Low68 Ų6851.9 Ų51.932%0.31830%0.3SS..Hα-helixtrans-62.5-18.3177.7-75.7-178.2-1000114.5R472 A499 E506 I507R472-Q503 PolarHBondContact NH1-O 2.99Å; A499-Q503 HydrophobicContact CB-CG 4.22Å; A499-Q503 WeakPolarHBondContact O-CB 3.36Å; A499-Q503 WeakPolarHBondContact O-CG 3.44Å; A499-Q503 PolarHBondContact O-N 3.1Å; Q503-E506 WeakPolarHBondContact CA-OE2 3.4Å; Q503-I507 VanDerWaalsContact O-CD1 3.32Å; Q503-I507 WeakPolarHBondContact O-CD1 3.35Å; Q503-I507 VanDerWaalsContact O-CG1 3.29Å; Q503-I507 WeakPolarHBondContact O-CG1 3.48Å; Q503-I507 PolarHBondContact O-N 3.18Å
504L64.8Low54.2Low22 Ų2252 Ų5212%0.11530%0.296CS..Hα-helixtrans-85.1-37.3174.5-81173000112.5L299 L300 L303 A500 G501 L502 E506 I507 L508L299-L504 HydrophobicContact CB-CB 4.46Å; L299-L504 HydrophobicContact CB-CD1 4.44Å; L299-L504 HydrophobicContact CD1-CB 4.3Å; L300-L504 HydrophobicContact CD2-CD1 3.95Å; L300-L504 HydrophobicContact CG-CD1 4.18Å; L303-L504 HydrophobicContact CD1-CD2 4.37Å; L303-L504 HydrophobicContact CD2-CD2 3.75Å; A500-L504 WeakPolarHBondContact O-CD1 3.34Å; A500-L504 VanDerWaalsContact O-CG 3.24Å; A500-L504 WeakPolarHBondContact O-CG 3.25Å; G501-L504 PolarHBondContact O-N 3.44Å; L502-L504 PolarHBondContact O-N 3.04Å; L502-L504 VanDerWaalsContact O-N 3.09Å; L504-E506 VanDerWaalsContact C-N 3.32Å; L504-I507 HydrophobicContact CD2-CD1 4.34Å; L504-I507 PolarHBondContact O-N 2.87Å; L504-L508 WeakPolarHBondContact O-CD1 3.45Å; L504-L508 WeakPolarHBondContact O-CG 3.2Å; L504-L508 PolarHBondContact O-N 2.81Å
505S64.1Low55.4Low33 Ų3344.8 Ų44.823%0.23126%0.263CS..Hα-helixtrans-68.7-34175.259.40000111.5L502 L508 K509L502-S505 PolarHBondContact O-N 2.91Å; L502-S505 VanDerWaalsContact O-N 3.14Å; L502-S505 PolarHBondContact O-OG 2.78Å; S505-L508 PolarHBondContact O-N 2.86Å; S505-K509 WeakPolarHBondContact O-CG 3.38Å; S505-K509 PolarHBondContact O-N 3.37Å; S505-K509 VanDerWaalsContact O-N 3.15Å
506E66.3Low56.6Low63 Ų6342 Ų4229%0.29425%0.245SC..Hα-helixtrans-57.2-50.9168.7-69.3163.6-171.100112.6R472 L502 Q503 L504 L508 K509 F510 P572R472-E506 IonicContact CZ-OE2 3.94Å; R472-E506 IonicContact NH1-OE2 2.78Å; R472-E506 IonicContact NH2-OE2 3.16Å; R472-E506 PolarHBondContact NH2-OE2 2.95Å; L502-E506 WeakPolarHBondContact O-CG 3.29Å; L502-E506 PolarHBondContact O-N 3.44Å; Q503-E506 WeakPolarHBondContact CA-OE2 3.4Å; L504-E506 VanDerWaalsContact C-N 3.32Å; E506-L508 PolarHBondContact O-N 3.5Å; E506-K509 PolarHBondContact O-N 2.85Å; E506-F510 PolarHBondContact O-N 2.9Å; E506-P572 HydrophobicContact CB-CG 4.31Å
507I67.8Low57.7Low18 Ų1844.5 Ų44.59%0.09227%0.267CS..Hα-helixtrans-56.7-39.5179.1-76.6164.8000111.3L303 V465 I468 Q503 L504L303-I507 HydrophobicContact CD1-CG2 3.68Å; V465-I507 HydrophobicContact CB-CG2 4.44Å; V465-I507 HydrophobicContact CG1-CG2 4.02Å; V465-I507 HydrophobicContact CG2-CG2 4.04Å; I468-I507 HydrophobicContact CD1-CB 4.41Å; I468-I507 HydrophobicContact CD1-CG2 4.31Å; I468-I507 WeakPolarHBondContact CD1-O 3.44Å; I468-I507 HydrophobicContact CG2-CG1 3.95Å; Q503-I507 VanDerWaalsContact O-CD1 3.32Å; Q503-I507 WeakPolarHBondContact O-CD1 3.35Å; Q503-I507 VanDerWaalsContact O-CG1 3.29Å; Q503-I507 WeakPolarHBondContact O-CG1 3.48Å; Q503-I507 PolarHBondContact O-N 3.18Å; L504-I507 HydrophobicContact CD2-CD1 4.34Å; L504-I507 PolarHBondContact O-N 2.87Å
508L67.6Low58.7Low1 Ų142.4 Ų42.41%0.00525%0.252CS..Hα-helixtrans-81.3-17.5-174.1-66.6168.9000113.6F289 L299 I302 L303 L306 V465 L504 S505 E506F289-L508 HydrophobicContact CE1-CB 3.63Å; F289-L508 HydrophobicContact CE1-CD1 3.71Å; F289-L508 HydrophobicContact CE1-CG 4.29Å; F289-L508 HydrophobicContact CZ-CB 4.15Å; F289-L508 HydrophobicContact CZ-CD1 4.08Å; L299-L508 HydrophobicContact CB-CD1 4.38Å; L299-L508 HydrophobicContact CD2-CD1 3.99Å; I302-L508 HydrophobicContact CG2-CD1 4.43Å; I302-L508 HydrophobicContact CG2-CD2 4.03Å; L303-L508 HydrophobicContact CB-CD2 4.46Å; L303-L508 HydrophobicContact CD1-CD2 3.88Å; L303-L508 HydrophobicContact CD1-CG 4.43Å; L306-L508 HydrophobicContact CD1-CD2 3.44Å; L306-L508 VanDerWaalsContact CD1-CD2 3.44Å; V465-L508 HydrophobicContact CG2-CD2 4.22Å; L504-L508 WeakPolarHBondContact O-CD1 3.45Å; L504-L508 WeakPolarHBondContact O-CG 3.2Å; L504-L508 PolarHBondContact O-N 2.81Å; S505-L508 PolarHBondContact O-N 2.86Å; E506-L508 PolarHBondContact O-N 3.5Å
509K67.4Low60Low49 Ų4944 Ų4421%0.21325%0.25CC..Hα-helixtrans-88.9-18.2177-75.7-174.3179.2-162.60114.2S505 E506 V512 F580S505-K509 WeakPolarHBondContact O-CG 3.38Å; S505-K509 PolarHBondContact O-N 3.37Å; S505-K509 VanDerWaalsContact O-N 3.15Å; E506-K509 PolarHBondContact O-N 2.85Å; K509-V512 VanDerWaalsContact O-CG2 3.29Å; K509-V512 WeakPolarHBondContact O-CG2 3.45Å; K509-F580 HydrophobicContact CG-CD2 4.44Å
510F66.7Low61.2Low32 Ų3250.7 Ų50.714%0.1428%0.277CS..THydrogen-bonded Turntrans-71.2144-177.5172.8-86.2000113.4I468 E506 V512 P572I468-F510 HydrophobicContact CD1-CB 3.33Å; I468-F510 HydrophobicContact CD1-CD1 3.42Å; I468-F510 VanDerWaalsContact CD1-CD1 3.42Å; I468-F510 HydrophobicContact CD1-CD2 4.14Å; I468-F510 HydrophobicContact CD1-CE1 4.2Å; I468-F510 HydrophobicContact CD1-CG 3.38Å; I468-F510 HydrophobicContact CG1-CB 4.37Å; I468-F510 HydrophobicContact CG1-CD1 3.65Å; I468-F510 HydrophobicContact CG1-CD2 4.35Å; I468-F510 HydrophobicContact CG1-CE1 3.91Å; I468-F510 HydrophobicContact CG1-CG 3.89Å; I468-F510 HydrophobicContact CG1-CZ 4.36Å; E506-F510 PolarHBondContact O-N 2.9Å; F510-V512 PolarHBondContact O-N 2.98Å; F510-V512 VanDerWaalsContact O-N 3.14Å; F510-P572 HydrophobicContact CB-CB 4.21Å
511G63.3Low61.9Low1 Ų152.3 Ų52.31%0.0129%0.286CS..THydrogen-bonded Turntrans74.4-4.4174.700000114.4D513 K514 L515 D576G511-D513 VanDerWaalsContact C-N 3.32Å; G511-D513 PolarHBondContact O-N 3.42Å; G511-K514 PolarHBondContact O-N 2.66Å; G511-L515 WeakPolarHBondContact O-CB 3.39Å; G511-L515 WeakPolarHBondContact O-CG 3.46Å; G511-L515 PolarHBondContact O-N 3.41Å; G511-D576 PolarHBondContact N-OD1 3.43Å; G511-D576 VanDerWaalsContact N-OD1 3.13Å
512V68.7Low62.6Low5 Ų553.7 Ų53.73%0.0329%0.293CS..Hα-helixtrans-61-39.8-176.7174.80000111.2L282 K509 F510 L516 D576 F580L282-V512 HydrophobicContact CD1-CG2 4.01Å; K509-V512 VanDerWaalsContact O-CG2 3.29Å; K509-V512 WeakPolarHBondContact O-CG2 3.45Å; F510-V512 PolarHBondContact O-N 2.98Å; F510-V512 VanDerWaalsContact O-N 3.14Å; V512-L516 HydrophobicContact CG1-CD1 3.68Å; V512-L516 HydrophobicContact CG1-CG 4.44Å; V512-L516 VanDerWaalsContact O-CB 3.29Å; V512-L516 WeakPolarHBondContact O-CB 3.27Å; V512-L516 WeakPolarHBondContact O-CG 3.4Å; V512-L516 PolarHBondContact O-N 3.46Å; V512-D576 PolarHBondContact N-OD1 2.92Å; V512-F580 HydrophobicContact CG1-CD2 4.34Å
513D63.7Low63.3Low56 Ų5652.1 Ų52.130%0.29928%0.284SS..Hα-helixtrans-64.1-49.3178.5-175.455.8000111.5G511 L516 S517 D576 S579G511-D513 VanDerWaalsContact C-N 3.32Å; G511-D513 PolarHBondContact O-N 3.42Å; D513-L516 PolarHBondContact O-N 3.31Å; D513-S517 PolarHBondContact O-N 3.3Å; D513-D576 PolarHBondContact N-OD1 3.08Å; D513-S579 WeakPolarHBondContact OD1-CB 3.16Å; D513-S579 PolarHBondContact OD1-OG 2.62Å
514K65.4Low63.2Low82 Ų8254.7 Ų54.736%0.35730%0.296SS..Hα-helixtrans-63.7-46.9179.9-62.7177.7-173.8178.70112.5D463 G511 L516 S517D463-K514 HydrophobicContact CB-CD 4.2Å; D463-K514 WeakPolarHBondContact OD1-CD 3.3Å; D463-K514 WeakPolarHBondContact OD1-CE 3.43Å; D463-K514 IonicContact OD1-NZ 3.95Å; D463-K514 PolarHBondContact OD1-NZ 3.33Å; D463-K514 WeakPolarHBondContact OD2-CD 3.39Å; D463-K514 IonicContact OD2-NZ 2.92Å; G511-K514 PolarHBondContact O-N 2.66Å; K514-L516 PolarHBondContact O-N 3.22Å; K514-S517 PolarHBondContact O-N 3.14Å; K514-S517 PolarHBondContact O-OG 3.2Å
515L63.5Low62.5Low17 Ų1763.1 Ų63.19%0.08934%0.335CS..Hα-helixtrans-62.2-29.2180-73.6176.6000112.3M270 Y278 D463 G511M270-L515 HydrophobicContact SD-CD2 3.8Å; Y278-L515 HydrophobicContact CD1-CD1 3.8Å; Y278-L515 HydrophobicContact CE1-CD1 3.39Å; D463-L515 WeakPolarHBondContact O-CD1 3.42Å; G511-L515 WeakPolarHBondContact O-CB 3.39Å; G511-L515 WeakPolarHBondContact O-CG 3.46Å; G511-L515 PolarHBondContact O-N 3.41Å
516L59.8Low62.3Low41 Ų4164.1 Ų64.122%0.21534%0.339CS..Hα-helixtrans-99-6.8-177.5-57-177.1000113.8K279 V512 D513 K514 S518 I583K279-L516 HydrophobicContact CB-CD2 3.92Å; K279-L516 HydrophobicContact CD-CD2 3.54Å; K279-L516 HydrophobicContact CG-CD2 3.6Å; V512-L516 HydrophobicContact CG1-CD1 3.68Å; V512-L516 HydrophobicContact CG1-CG 4.44Å; V512-L516 VanDerWaalsContact O-CB 3.29Å; V512-L516 WeakPolarHBondContact O-CB 3.27Å; V512-L516 WeakPolarHBondContact O-CG 3.4Å; V512-L516 PolarHBondContact O-N 3.46Å; D513-L516 PolarHBondContact O-N 3.31Å; K514-L516 PolarHBondContact O-N 3.22Å; L516-S518 PolarHBondContact O-N 3.5Å; L516-I583 HydrophobicContact CB-CD1 4.38Å; L516-I583 HydrophobicContact CD1-CD1 3.4Å; L516-I583 VanDerWaalsContact CD1-CD1 3.4Å
517S63.9Low61.8Low93 Ų9371 Ų7165%0.6536%0.362SS*.SBendtrans-68-17.9169.274.40000114.3D513 K514D513-S517 PolarHBondContact O-N 3.3Å; K514-S517 PolarHBondContact O-N 3.14Å; K514-S517 PolarHBondContact O-OG 3.2Å
518S58.6Low61.5Low52 Ų5271 Ų7136%0.36436%0.363SS..  trans-149118.1-175520000112.7K275 L516 E520K275-S518 WeakPolarHBondContact CD-O 3.22Å; K275-S518 PolarHBondContact NZ-O 2.97Å; K275-S518 PolarHBondContact NZ-OG 2.91Å; L516-S518 PolarHBondContact O-N 3.5Å; S518-E520 VanDerWaalsContact C-N 3.33Å
519D56.6Low61.1Low116 Ų11678 Ų7862%0.6240%0.395SS*.  trans-80.4-12174.2-65.9-52.9000113K279K279-D519 IonicContact NZ-OD1 3.55Å
520E61Low60.6Low163 Ų16384.3 Ų84.376%0.76242%0.423SS*.SBendtrans-75.6154.3178.6-63.7-174.1165.100112.8K275 S518 S522K275-E520 WeakPolarHBondContact CE-O 3.43Å; K275-E520 PolarHBondContact NZ-O 2.83Å; S518-E520 VanDerWaalsContact C-N 3.33Å; E520-S522 PolarHBondContact O-N 3.11Å
521S60.3Low60.3Low72 Ų7286.8 Ų86.850%0.50344%0.437SS..  trans-64.3128.3-179.451.90000112.4I523S521-I523 VanDerWaalsContact C-N 3.29Å; S521-I523 PolarHBondContact O-N 3.25Å
522S60.4Low60.2Low47 Ų4787.1 Ų87.133%0.32944%0.438SS..  trans-90.617.7179.755.60000114.2G269 M270 E520 Q524G269-S522 WeakPolarHBondContact CA-O 3.47Å; G269-S522 WeakPolarHBondContact CA-OG 3.44Å; M270-S522 PolarHBondContact N-OG 2.81Å; M270-S522 PolarHBondContact O-N 2.88Å; M270-S522 VanDerWaalsContact O-N 3.08Å; E520-S522 PolarHBondContact O-N 3.11Å; S522-Q524 PolarHBondContact O-N 2.86Å
523I60.3Low59.7Low64 Ų6487.9 Ų87.933%0.32845%0.447SS..  trans-71.2122.5178.1-56.3175.1000108.9S521S521-I523 VanDerWaalsContact C-N 3.29Å; S521-I523 PolarHBondContact O-N 3.25Å
524Q56.7Low59.6Low121 Ų12188.8 Ų88.857%0.56546%0.456SS*.  trans-109.9141.7178.6-66.9177.1-28.800109.6S522 V526S522-Q524 PolarHBondContact O-N 2.86Å; Q524-V526 WeakPolarHBondContact O-CG2 3.37Å; Q524-V526 PolarHBondContact O-N 2.98Å; Q524-V526 VanDerWaalsContact O-N 3.09Å
525E51Low58.9Low200 Ų20086.6 Ų86.694%0.93545%0.451SS*.  trans-66.1107.9172.3-72.2-170.8164.800110.7
526V58.6Low58.6Low54 Ų5494.1 Ų94.133%0.32748%0.478SS..  trans-85.5119.8-175.4-173.30000110.8L339 Q524 L528 I531L339-V526 HydrophobicContact CD1-CG2 4.17Å; Q524-V526 WeakPolarHBondContact O-CG2 3.37Å; Q524-V526 PolarHBondContact O-N 2.98Å; Q524-V526 VanDerWaalsContact O-N 3.09Å; V526-L528 HydrophobicContact CB-CD2 4.3Å; V526-L528 HydrophobicContact CG1-CD2 3.85Å; V526-L528 HydrophobicContact CG1-CG 4.39Å; V526-L528 PolarHBondContact O-N 3.19Å; V526-I531 HydrophobicContact CG1-CD1 3.57Å
527R56.2Low58.3Low206 Ų20696.9 Ų96.978%0.77749%0.493SS*.  trans-74.474.7171-68.1-173.1179.9-179.81111.1E529 K530R527-E529 VanDerWaalsContact C-N 3.26Å; R527-E529 PolarHBondContact O-N 2.91Å; R527-E529 VanDerWaalsContact O-N 3.11Å; R527-K530 PolarHBondContact O-N 3.07Å
528L62.7Low58Low18 Ų1892.5 Ų92.59%0.09446%0.463CS..Hα-helixtrans-50.7-37.7-170.6-72.6177.4000114.5L339 S342 I343 F346 V526 K530 I531 L532L339-L528 HydrophobicContact CD1-CD2 4.24Å; S342-L528 VanDerWaalsContact O-CD1 3.22Å; S342-L528 WeakPolarHBondContact O-CD1 3.05Å; I343-L528 HydrophobicContact CG1-CD1 4.14Å; I343-L528 HydrophobicContact CG1-CD2 3.82Å; F346-L528 HydrophobicContact CB-CD1 4.34Å; V526-L528 HydrophobicContact CB-CD2 4.3Å; V526-L528 HydrophobicContact CG1-CD2 3.85Å; V526-L528 HydrophobicContact CG1-CG 4.39Å; V526-L528 PolarHBondContact O-N 3.19Å; L528-K530 PolarHBondContact O-N 2.92Å; L528-I531 PolarHBondContact O-N 3.07Å; L528-L532 HydrophobicContact CB-CD1 4.22Å; L528-L532 HydrophobicContact CD2-CD1 4.28Å; L528-L532 WeakPolarHBondContact O-CB 3.36Å; L528-L532 PolarHBondContact O-N 3.13Å
529E57.7Low57.9Low148 Ų14894.1 Ų94.169%0.69246%0.464SS*.Hα-helixtrans-57.3-31.6179.6-65.2178.8170.600113.6F346 R527 G533F346-E529 HydrophobicContact CE2-CG 3.86Å; R527-E529 VanDerWaalsContact C-N 3.26Å; R527-E529 PolarHBondContact O-N 2.91Å; R527-E529 VanDerWaalsContact O-N 3.11Å; E529-G533 VanDerWaalsContact O-CA 3.25Å; E529-G533 WeakPolarHBondContact O-CA 3.47Å; E529-G533 PolarHBondContact O-N 2.85Å
530K57.8Low58.5Low182 Ų18289.4 Ų89.479%0.79144%0.438SS*.Hα-helixtrans-82.3-23.8177.5-71.9-160.9170.5-157.80113.9R527 L528R527-K530 PolarHBondContact O-N 3.07Å; L528-K530 PolarHBondContact O-N 2.92Å
531I61Low58.5Low84 Ų8486.6 Ų86.643%0.43142%0.424SS..Hα-helixtrans-96-37.8-177.6-56.5-172.2000110.6L264 V526 L528L264-I531 VanDerWaalsContact CD1-O 3.25Å; L264-I531 WeakPolarHBondContact CD1-O 3.5Å; V526-I531 HydrophobicContact CG1-CD1 3.57Å; L528-I531 PolarHBondContact O-N 3.07Å
532L60.4Low58Low8 Ų887 Ų874%0.04243%0.426CS..Hα-helixtrans-83.4-18.8173.7-63176.5000112.4L264 F346 K455 I457 L528 W540L264-L532 HydrophobicContact CD1-CD2 4.34Å; F346-L532 HydrophobicContact CD1-CD1 3.8Å; F346-L532 HydrophobicContact CE1-CD1 4.07Å; K455-L532 VanDerWaalsContact NZ-C 3.35Å; K455-L532 VanDerWaalsContact NZ-CA 3.3Å; K455-L532 PolarHBondContact NZ-O 3.36Å; I457-L532 HydrophobicContact CD1-CD2 3.8Å; I457-L532 HydrophobicContact CG1-CD2 4.45Å; L528-L532 HydrophobicContact CB-CD1 4.22Å; L528-L532 HydrophobicContact CD2-CD1 4.28Å; L528-L532 WeakPolarHBondContact O-CB 3.36Å; L528-L532 PolarHBondContact O-N 3.13Å; L532-W540 HydrophobicContact CB-CH2 4.17Å; L532-W540 HydrophobicContact CB-CZ3 4.01Å; L532-W540 HydrophobicContact CD1-CH2 4.43Å
533G58.2Low57.2Low21 Ų2189.8 Ų89.822%0.21644%0.443CS..  trans68.7-179-17600000113.1E529 S535E529-G533 VanDerWaalsContact O-CA 3.25Å; E529-G533 WeakPolarHBondContact O-CA 3.47Å; E529-G533 PolarHBondContact O-N 2.85Å; G533-S535 PolarHBondContact O-N 3.19Å
534P60.9Low56.2Low75 Ų7593.1 Ų93.149%0.48746%0.461SS..  trans-72.4121.2-173.228.2-33.9000112.7F541P534-F541 HydrophobicContact CG-CB 4.45Å; P534-F541 PolarHBondContact O-N 3.41Å; P534-F541 VanDerWaalsContact O-N 3.17Å
535S52.3Low55.3Low36 Ų3693.9 Ų93.925%0.25247%0.465SS..EExtended strand (participates in β ladder)trans-99.4139.3155.8177.40000109.2H354 G533 Q539H354-S535 PolarHBondContact NE2-OG 3.14Å; G533-S535 PolarHBondContact O-N 3.19Å; S535-Q539 WeakPolarHBondContact CA-O 3.24Å; S535-Q539 PolarHBondContact OG-O 3.45Å
536R56.3Low54.3Low176 Ų17691.6 Ų91.666%0.66445%0.454SS*.EExtended strand (participates in β ladder)trans-130.3134.4167.7-63.3-178.7175.6175.70.4108.7G538 Q539 F541R536-G538 PolarHBondContact O-N 3Å; R536-Q539 PolarHBondContact N-O 3.34Å; R536-Q539 VanDerWaalsContact N-O 3.12Å; R536-Q539 PolarHBondContact O-N 2.87Å; R536-F541 HydrophobicContact CB-CD2 4.2Å; R536-F541 HydrophobicContact CB-CE2 3.69Å; R536-F541 HydrophobicContact CB-CZ 4.41Å; R536-F541 HydrophobicContact CG-CE2 4.39Å
537D53.3Low53Low99 Ų9998.3 Ų98.353%0.52948%0.482SS..THydrogen-bonded Turntrans46.437.5176.7-63.5-57.2000116R352R352-D537 WeakPolarHBondContact CD-O 3.33Å
538G57Low51.9Low1 Ų194.2 Ų94.21%0.0148%0.48CS..THydrogen-bonded Turntrans7925.8177.500000114.2R352 H354 R452 R536R352-G538 WeakPolarHBondContact O-CA 3.4Å; H354-G538 PolarHBondContact CE1-O 3.42Å; R452-G538 PolarHBondContact NH1-O 2.82Å; R536-G538 PolarHBondContact O-N 3Å
539Q57.8Low50.2Low85 Ų85101.7 Ų101.740%0.39751%0.514SS..EExtended strand (participates in β ladder)trans-133.7135.3174.9-61.6-174.8-0.400110.7S535 R536 F541S535-Q539 WeakPolarHBondContact CA-O 3.24Å; S535-Q539 PolarHBondContact OG-O 3.45Å; R536-Q539 PolarHBondContact N-O 3.34Å; R536-Q539 VanDerWaalsContact N-O 3.12Å; R536-Q539 PolarHBondContact O-N 2.87Å; Q539-F541 HydrophobicContact CB-CE2 4.32Å; Q539-F541 WeakPolarHBondContact O-CD2 3.44Å
540W69.8Low48.7Very low17 Ų17101.9 Ų101.96%0.06452%0.52CS..EExtended strand (participates in β ladder)trans-73.1131.1172.4-62.7110.3000110.3F346 L347 H354 T425 P453 K455 L532F346-W540 HydrophobicContact CE1-CH2 4.29Å; F346-W540 HydrophobicContact CE1-CZ3 4.41Å; L347-W540 HydrophobicContact CD2-CH2 3.74Å; L347-W540 HydrophobicContact CD2-CZ2 3.47Å; L347-W540 VanDerWaalsContact CD2-CZ2 3.47Å; H354-W540 AromaticContact CE1-NE1 3.89Å; T425-W540 HydrophobicContact CG2-CZ2 4.3Å; T425-W540 PolarHBondContact OG1-NE1 2.94Å; P453-W540 HydrophobicContact CB-CB 4.49Å; P453-W540 HydrophobicContact CG-CB 4.09Å; P453-W540 WeakPolarHBondContact CG-O 3.31Å; K455-W540 HydrophobicContact CB-CD2 4.39Å; K455-W540 HydrophobicContact CB-CG 4.29Å; K455-W540 HydrophobicContact CD-CD2 3.61Å; K455-W540 VanDerWaalsContact CD-CE2 3.49Å; K455-W540 HydrophobicContact CD-CE3 3.86Å; K455-W540 HydrophobicContact CD-CG 4.18Å; K455-W540 HydrophobicContact CD-CH2 3.93Å; K455-W540 HydrophobicContact CD-CZ2 3.66Å; K455-W540 HydrophobicContact CD-CZ3 4.02Å; L532-W540 HydrophobicContact CB-CH2 4.17Å; L532-W540 HydrophobicContact CB-CZ3 4.01Å; L532-W540 HydrophobicContact CD1-CH2 4.43Å
541F60.8Low47.2Very low105 Ų105102.5 Ų102.546%0.46153%0.525SS..PPolyproline II helixtrans-100.9124.1171-75.2-104000109.1P534 R536 Q539P534-F541 HydrophobicContact CG-CB 4.45Å; P534-F541 PolarHBondContact O-N 3.41Å; P534-F541 VanDerWaalsContact O-N 3.17Å; R536-F541 HydrophobicContact CB-CD2 4.2Å; R536-F541 HydrophobicContact CB-CE2 3.69Å; R536-F541 HydrophobicContact CB-CZ 4.41Å; R536-F541 HydrophobicContact CG-CE2 4.39Å; Q539-F541 HydrophobicContact CB-CE2 4.32Å; Q539-F541 WeakPolarHBondContact O-CD2 3.44Å
542S49Very low45.6Very low79 Ų79103.5 Ų103.555%0.55254%0.54SS*.PPolyproline II helixtrans-67.6138.7157.650.80000108.4L544S542-L544 PolarHBondContact O-N 2.76Å
543P44.2Very low44.2Very low107 Ų107111.1 Ų111.170%0.69558%0.581SS**PPolyproline II helixtrans-50.4140158.7-2334.3000109.5
544L38.9Very low42.5Very low134 Ų134115.2 Ų115.270%0.70261%0.606SS**PPolyproline II helixtrans-70.1146.5167.7-75.9162.2000108.3S542 E546S542-L544 PolarHBondContact O-N 2.76Å; L544-E546 HydrophobicContact CB-CG 4.3Å; L544-E546 PolarHBondContact O-N 2.81Å
545E37.6Very low41.1Very low136 Ų136120 Ų12064%0.63663%0.628SS**G310 helixtrans-77.312.6-170.7-71.2154.816200112.4K260K260-E545 VanDerWaalsContact NZ-CD 3.35Å; K260-E545 IonicContact NZ-OE1 2.77Å; K260-E545 PolarHBondContact NZ-OE1 2.85Å; K260-E545 IonicContact NZ-OE2 3.83Å; K260-E545 PolarHBondContact NZ-OE2 2.66Å
546E30.8Very low39.8Very low153 Ų153126.4 Ų126.472%0.71565%0.654SS**G310 helixtrans-82.3-9.7-167.8-63.2-179.6146.700116L544L544-E546 HydrophobicContact CB-CG 4.3Å; L544-E546 PolarHBondContact O-N 2.81Å
547E30.5Very low38.6Very low194 Ų194125.5 Ų125.591%0.90766%0.657SS**G310 helixtrans-101.13.4178.3-72.4-168.7154.800114.3
548V33.7Very low37.2Very low121 Ų121129 Ų12973%0.73368%0.676SS**SBendtrans-108.3-18.7-173.4-170.10000113.8N550V548-N550 PolarHBondContact O-N 3.23Å; V548-N550 VanDerWaalsContact O-N 3.09Å
549E26.9Very low36Very low174 Ų174134.1 Ų134.181%0.81370%0.699SS**THydrogen-bonded Turntrans-76.78.7-173.1-62.7-165.1137.600115.9
550N26.2Very low35Very low153 Ų153137.8 Ų137.882%0.81872%0.718SS**THydrogen-bonded Turntrans-111.39.6-175.5-80.9-63.7000115.8V548V548-N550 PolarHBondContact O-N 3.23Å; V548-N550 VanDerWaalsContact O-N 3.09Å
551E26.5Very low33.6Very low194 Ų194140.1 Ų140.191%0.90773%0.727SS**  trans-12584.5167.9-70-16815200110.7
552S26.7Very low32Very low105 Ų105140.8 Ų140.873%0.73473%0.73SS**  trans-88.5139.417558.80000112.5
553D30.2Very low31.1Very low169 Ų169144.6 Ų144.690%0.90474%0.737SS**  trans64.869.6163.3-61-5.4000117.9
554S23.1Very low30.5Very low107 Ų107147.4 Ų147.475%0.74874%0.741SS**  trans-137.8118.5142.564.30000111E556S554-E556 PolarHBondContact O-N 2.9Å
555D32Very low30.1Very low176 Ų176144.3 Ų144.394%0.94174%0.741SS**  trans-71.462.2-178-80.8-55.5000113.7
556E24.9Very low29.9Very low170 Ų170144.4 Ų144.479%0.79474%0.74SS**  trans-92.2113161.5-68.8-152155.800110.2S554 N558S554-E556 PolarHBondContact O-N 2.9Å; E556-N558 PolarHBondContact O-N 2.96Å
557Q30.1Very low30.2Very low156 Ų156139.6 Ų139.673%0.72972%0.719SS**  trans-67.4105.6-175.2-65.5169.3-15.600110.3H559Q557-H559 PolarHBondContact O-N 3.11Å
558N25.5Very low30.8Very low174 Ų174134.6 Ų134.693%0.9369%0.693SS**  trans-68.762.2172-96.3-54000112.1E556 M560E556-N558 PolarHBondContact O-N 2.96Å; N558-M560 PolarHBondContact O-N 3.24Å
559H30.1Very low31.2Very low108 Ų108133.1 Ų133.150%0.569%0.688SS.*  trans-68.2112.8169.5-86.8-69.4000109.4Q557 Y561 F562Q557-H559 PolarHBondContact O-N 3.11Å; H559-Y561 PolarHBondContact O-N 3.35Å; H559-F562 HydrophobicContact CB-CD2 4.08Å; H559-F562 PolarHBondContact O-N 3.09Å; H559-F562 VanDerWaalsContact O-N 3.09Å
560M36.9Very low31.8Very low162 Ų162131.8 Ų131.880%0.79868%0.679SS**THydrogen-bonded Turntrans-57.77.3176.1-166.9169.760.400115.3N558N558-M560 PolarHBondContact O-N 3.24Å
561Y40.3Very low33.1Very low66 Ų66129.8 Ų129.826%0.25967%0.668SS.*THydrogen-bonded Turntrans-107.31.4177.6-66.1-75.2000113.9H559 K566 Y568H559-Y561 PolarHBondContact O-N 3.35Å; Y561-K566 VanDerWaalsContact O-O 3.1Å; Y561-Y568 PolarHBondContact O-N 3Å
562F27.9Very low34.3Very low118 Ų118121.3 Ų121.352%0.51863%0.63SS.*EExtended strand (participates in β ladder)trans-101.8110.5172.2-80.9-85.5000111.7H559 D567H559-F562 HydrophobicContact CB-CD2 4.08Å; H559-F562 PolarHBondContact O-N 3.09Å; H559-F562 VanDerWaalsContact O-N 3.09Å; F562-D567 HydrophobicContact CE1-CB 3.89Å; F562-D567 HydrophobicContact CE2-CB 4.44Å; F562-D567 HydrophobicContact CZ-CB 3.77Å
563F30.3Very low35.8Very low159 Ų159118.3 Ų118.370%0.69761%0.609SS**EExtended strand (participates in β ladder)trans-136.1142.7164.9-161.9-103.3000108.3G565 K566F563-G565 PolarHBondContact O-N 3.11Å; F563-K566 PolarHBondContact O-N 3.33Å; F563-K566 VanDerWaalsContact O-N 3.16Å
564E30.8Very low37.1Very low166 Ų166113.3 Ų113.378%0.77659%0.587SS**THydrogen-bonded Turntrans5027.2-170-61.5-173.6170.100114.8K566E564-K566 VanDerWaalsContact C-N 3.29Å; E564-K566 PolarHBondContact O-N 3.05Å
565G31.2Very low38.7Very low69 Ų69114 Ų11471%0.71158%0.578SS**THydrogen-bonded Turntrans71.915.1178.400000115.2F563F563-G565 PolarHBondContact O-N 3.11Å
566K34.1Very low39.9Very low139 Ų139106.2 Ų106.260%0.60454%0.537SS*.EExtended strand (participates in β ladder)trans-106.8140.8174.7-69.9-177.3179.2-179.90111.5Y561 F563 E564 Y568Y561-K566 VanDerWaalsContact O-O 3.1Å; F563-K566 PolarHBondContact O-N 3.33Å; F563-K566 VanDerWaalsContact O-N 3.16Å; E564-K566 VanDerWaalsContact C-N 3.29Å; E564-K566 PolarHBondContact O-N 3.05Å; K566-Y568 HydrophobicContact CB-CD2 4.34Å; K566-Y568 HydrophobicContact CB-CE2 3.79Å; K566-Y568 WeakPolarHBondContact O-CD2 3.34Å
567D37.2Very low41.5Very low52 Ų52102 Ų10228%0.27852%0.518SS..EExtended strand (participates in β ladder)trans-91.2109.6176.4167.419.4000109.8F562 S569 K570F562-D567 HydrophobicContact CE1-CB 3.89Å; F562-D567 HydrophobicContact CE2-CB 4.44Å; F562-D567 HydrophobicContact CZ-CB 3.77Å; D567-S569 VanDerWaalsContact C-N 3.28Å; D567-S569 PolarHBondContact O-N 3.35Å; D567-S569 WeakPolarHBondContact OD1-CB 3.38Å; D567-S569 PolarHBondContact OD1-N 3.48Å; D567-K570 WeakPolarHBondContact OD2-CE 3.36Å; D567-K570 IonicContact OD2-NZ 2.62Å; D567-K570 PolarHBondContact OD2-NZ 3.25Å
568Y43.1Very low43.1Very low89 Ų89102.7 Ų102.735%0.34951%0.513SS..  trans-87.312.5-179.2-71.5-104.7000113.6Y561 K566 K570Y561-Y568 PolarHBondContact O-N 3Å; K566-Y568 HydrophobicContact CB-CD2 4.34Å; K566-Y568 HydrophobicContact CB-CE2 3.79Å; K566-Y568 WeakPolarHBondContact O-CD2 3.34Å; Y568-K570 PolarHBondContact O-N 3.5Å
569S41.3Very low44.7Very low90 Ų9094.9 Ų94.963%0.62947%0.472SS*.  trans-74.7-2.4177.1-171.50000114.5D567D567-S569 VanDerWaalsContact C-N 3.28Å; D567-S569 PolarHBondContact O-N 3.35Å; D567-S569 WeakPolarHBondContact OD1-CB 3.38Å; D567-S569 PolarHBondContact OD1-N 3.48Å
570K40.6Very low46Very low146 Ų14690.8 Ų90.864%0.63545%0.453SS*.SBendtrans-110144.8-163.8-69.5172.3179.2137.50113.8D567 Y568D567-K570 WeakPolarHBondContact OD2-CE 3.36Å; D567-K570 IonicContact OD2-NZ 2.62Å; D567-K570 PolarHBondContact OD2-NZ 3.25Å; Y568-K570 PolarHBondContact O-N 3.5Å
571D51.5Low47.3Very low110 Ų11086.4 Ų86.459%0.58843%0.433SS*.  trans-56.9159.2173.8-65-63.6000112.6R472 S573R472-D571 IonicContact NH2-OD1 2.72Å; D571-S573 PolarHBondContact O-N 2.9Å
572P52Low48.5Very low16 Ų1689 Ų8910%0.10444%0.442CS..SBendtrans-44132.5-171.513.7-33000114.6E506 F510 Q577E506-P572 HydrophobicContact CB-CG 4.31Å; F510-P572 HydrophobicContact CB-CB 4.21Å; P572-Q577 PolarHBondContact O-NE2 3.12Å; P572-Q577 VanDerWaalsContact O-NE2 3.16Å
573S58.5Low50.1Low42 Ų4284.7 Ų84.729%0.29442%0.424SS..  trans-57.8148.6-172.9-178.80000111.1D571 E575 D576 Q577D571-S573 PolarHBondContact O-N 2.9Å; S573-E575 PolarHBondContact O-N 2.78Å; S573-E575 WeakPolarHBondContact OG-CB 3.37Å; S573-E575 PolarHBondContact OG-N 2.81Å; S573-E575 VanDerWaalsContact OG-N 3.08Å; S573-E575 PolarHBondContact OG-OE2 1.92Å; S573-E575 VanDerWaalsContact OG-OE2 3.13Å; S573-D576 WeakPolarHBondContact CB-OD2 3.49Å; S573-D576 PolarHBondContact N-OD2 2.97Å; S573-D576 VanDerWaalsContact N-OD2 3.13Å; S573-D576 WeakPolarHBondContact O-CB 3.48Å; S573-D576 PolarHBondContact O-N 3.16Å; S573-Q577 WeakPolarHBondContact O-CG 3.08Å; S573-Q577 PolarHBondContact O-N 3.37Å
574S57.8Low51.3Low64 Ų6478.9 Ų78.945%0.44840%0.401SS..Hα-helixtrans-58.6-17.2166.669.90000112.5R578S574-R578 WeakPolarHBondContact O-CB 3.44Å; S574-R578 VanDerWaalsContact O-CD 3.26Å; S574-R578 WeakPolarHBondContact O-CD 3.45Å; S574-R578 WeakPolarHBondContact O-CG 3.31Å; S574-R578 PolarHBondContact O-N 3.29Å
575E55.8Low52.7Low121 Ų12177.9 Ų77.957%0.56540%0.396SS*.Hα-helixtrans-79.4-42.9171.7-62162.4140.800112S573 Q577 R578 S579S573-E575 PolarHBondContact O-N 2.78Å; S573-E575 WeakPolarHBondContact OG-CB 3.37Å; S573-E575 PolarHBondContact OG-N 2.81Å; S573-E575 VanDerWaalsContact OG-N 3.08Å; S573-E575 PolarHBondContact OG-OE2 1.92Å; S573-E575 VanDerWaalsContact OG-OE2 3.13Å; E575-Q577 VanDerWaalsContact C-N 3.3Å; E575-Q577 PolarHBondContact O-N 3.5Å; E575-R578 PolarHBondContact O-N 2.77Å; E575-S579 WeakPolarHBondContact O-CB 3.17Å; E575-S579 PolarHBondContact O-N 2.95Å
576D57.5Low54.1Low13 Ų1379.3 Ų79.37%0.0738%0.384CS..Hα-helixtrans-57.4-45.3172.2-74.1-60.4000110.8G511 V512 D513 S573 S579 F580G511-D576 PolarHBondContact N-OD1 3.43Å; G511-D576 VanDerWaalsContact N-OD1 3.13Å; V512-D576 PolarHBondContact N-OD1 2.92Å; D513-D576 PolarHBondContact N-OD1 3.08Å; S573-D576 WeakPolarHBondContact CB-OD2 3.49Å; S573-D576 PolarHBondContact N-OD2 2.97Å; S573-D576 VanDerWaalsContact N-OD2 3.13Å; S573-D576 WeakPolarHBondContact O-CB 3.48Å; S573-D576 PolarHBondContact O-N 3.16Å; D576-S579 PolarHBondContact O-N 2.92Å; D576-F580 WeakPolarHBondContact O-CB 3.43Å; D576-F580 PolarHBondContact O-N 3.48Å
577Q59.4Low54.9Low83 Ų8376.6 Ų76.639%0.38837%0.373SS..Hα-helixtrans-60.1-50.9176.8-63.6174.124.700110.8P572 S573 E575 S579 F580 D581P572-Q577 PolarHBondContact O-NE2 3.12Å; P572-Q577 VanDerWaalsContact O-NE2 3.16Å; S573-Q577 WeakPolarHBondContact O-CG 3.08Å; S573-Q577 PolarHBondContact O-N 3.37Å; E575-Q577 VanDerWaalsContact C-N 3.3Å; E575-Q577 PolarHBondContact O-N 3.5Å; Q577-S579 PolarHBondContact O-N 3.06Å; Q577-F580 WeakPolarHBondContact O-CB 3.3Å; Q577-F580 PolarHBondContact O-N 2.71Å; Q577-D581 WeakPolarHBondContact O-CB 3.4Å; Q577-D581 PolarHBondContact O-N 3.25Å
578R62.7Low55.6Low170 Ų17078.5 Ų78.564%0.64238%0.382SS*.Hα-helixtrans-64.5-35.2179-75.4168.2-176.41672.5114S574 E575 D581 R582S574-R578 WeakPolarHBondContact O-CB 3.44Å; S574-R578 VanDerWaalsContact O-CD 3.26Å; S574-R578 WeakPolarHBondContact O-CD 3.45Å; S574-R578 WeakPolarHBondContact O-CG 3.31Å; S574-R578 PolarHBondContact O-N 3.29Å; E575-R578 PolarHBondContact O-N 2.77Å; R578-D581 PolarHBondContact O-N 3.49Å; R578-R582 VanDerWaalsContact O-CB 3.31Å; R578-R582 WeakPolarHBondContact O-CB 3.4Å; R578-R582 PolarHBondContact O-N 2.92Å
579S60.3Low56.3Low9 Ų976.3 Ų76.36%0.06338%0.382CS..Hα-helixtrans-76.3-32.1177-87.10000112.4D513 E575 D576 Q577 R582 I583D513-S579 WeakPolarHBondContact OD1-CB 3.16Å; D513-S579 PolarHBondContact OD1-OG 2.62Å; E575-S579 WeakPolarHBondContact O-CB 3.17Å; E575-S579 PolarHBondContact O-N 2.95Å; D576-S579 PolarHBondContact O-N 2.92Å; Q577-S579 PolarHBondContact O-N 3.06Å; S579-R582 PolarHBondContact OG-NH1 3.44Å; S579-I583 WeakPolarHBondContact O-CB 3.31Å; S579-I583 WeakPolarHBondContact O-CD1 3.36Å; S579-I583 VanDerWaalsContact O-CG1 3.24Å; S579-I583 WeakPolarHBondContact O-CG1 3.29Å; S579-I583 PolarHBondContact O-N 3.12Å; S579-I583 VanDerWaalsContact O-N 3.15Å
580F57.6Low56.9Low22 Ų2277.8 Ų77.810%0.09638%0.379CS..Hα-helixtrans-60.9-49.1166.2-174.1-85.4000110.7F289 K509 V512 D576 Q577 R582 I583 L584F289-F580 HydrophobicContact CB-CE1 4.46Å; F289-F580 HydrophobicContact CB-CZ 4.09Å; F289-F580 HydrophobicContact CD1-CZ 4.4Å; F289-F580 HydrophobicContact CD2-CZ 4.11Å; F289-F580 AromaticContact CG-CZ 3.95Å; F289-F580 HydrophobicContact CG-CZ 3.95Å; K509-F580 HydrophobicContact CG-CD2 4.44Å; V512-F580 HydrophobicContact CG1-CD2 4.34Å; D576-F580 WeakPolarHBondContact O-CB 3.43Å; D576-F580 PolarHBondContact O-N 3.48Å; Q577-F580 WeakPolarHBondContact O-CB 3.3Å; Q577-F580 PolarHBondContact O-N 2.71Å; F580-R582 PolarHBondContact O-N 2.93Å; F580-I583 PolarHBondContact O-N 2.93Å; F580-L584 PolarHBondContact O-N 2.67Å
581D64Low57.3Low71 Ų7178.7 Ų78.738%0.3838%0.383SS..Hα-helixtrans-67.2-34.9-179-62.3-21.2000112.6Q577 R578 L584 E585Q577-D581 WeakPolarHBondContact O-CB 3.4Å; Q577-D581 PolarHBondContact O-N 3.25Å; R578-D581 PolarHBondContact O-N 3.49Å; D581-L584 VanDerWaalsContact O-CB 3.27Å; D581-L584 WeakPolarHBondContact O-CB 3.45Å; D581-L584 PolarHBondContact O-N 3.12Å; D581-E585 PolarHBondContact O-N 2.88Å
582R64.7Low57.2Low119 Ų11979.5 Ų79.545%0.44938%0.384SS..Hα-helixtrans-67.4-40.4174.6-167.3-172.675.8-116.9-3.6112.2R578 S579 F580 L584 E585 E586R578-R582 VanDerWaalsContact O-CB 3.31Å; R578-R582 WeakPolarHBondContact O-CB 3.4Å; R578-R582 PolarHBondContact O-N 2.92Å; S579-R582 PolarHBondContact OG-NH1 3.44Å; F580-R582 PolarHBondContact O-N 2.93Å; R582-L584 VanDerWaalsContact C-N 3.27Å; R582-L584 PolarHBondContact O-N 3.02Å; R582-E585 PolarHBondContact O-N 3.17Å; R582-E585 VanDerWaalsContact O-N 3.17Å; R582-E586 IonicContact NE-OE1 3Å; R582-E586 PolarHBondContact NE-OE1 2.64Å; R582-E586 WeakPolarHBondContact O-CG 3.5Å; R582-E586 PolarHBondContact O-N 3.47Å
583I60.8Low57.1Low28 Ų2885.4 Ų85.414%0.14441%0.408CS..Hα-helixtrans-67.3-34177.3-71.6170.9000110.7M283 L516 S579 F580 Q587M283-I583 HydrophobicContact CE-CG2 3.54Å; L516-I583 HydrophobicContact CB-CD1 4.38Å; L516-I583 HydrophobicContact CD1-CD1 3.4Å; L516-I583 VanDerWaalsContact CD1-CD1 3.4Å; S579-I583 WeakPolarHBondContact O-CB 3.31Å; S579-I583 WeakPolarHBondContact O-CD1 3.36Å; S579-I583 VanDerWaalsContact O-CG1 3.24Å; S579-I583 WeakPolarHBondContact O-CG1 3.29Å; S579-I583 PolarHBondContact O-N 3.12Å; S579-I583 VanDerWaalsContact O-N 3.15Å; F580-I583 PolarHBondContact O-N 2.93Å; I583-Q587 WeakPolarHBondContact O-CG 3.33Å; I583-Q587 PolarHBondContact O-N 2.63Å
584L57Low56.7Low38 Ų3886.2 Ų86.220%0.19942%0.417CS..Hα-helixtrans-58.2-52.5166.415461.4000111.5Y286 F580 D581 R582 E586 Q587 M588Y286-L584 HydrophobicContact CE1-CD1 3.88Å; Y286-L584 HydrophobicContact CE2-CB 4.38Å; Y286-L584 HydrophobicContact CE2-CD1 3.65Å; Y286-L584 HydrophobicContact CE2-CD2 3.93Å; Y286-L584 HydrophobicContact CE2-CG 4.2Å; Y286-L584 WeakPolarHBondContact OH-CD1 3.47Å; Y286-L584 WeakPolarHBondContact OH-CD2 3.4Å; F580-L584 PolarHBondContact O-N 2.67Å; D581-L584 VanDerWaalsContact O-CB 3.27Å; D581-L584 WeakPolarHBondContact O-CB 3.45Å; D581-L584 PolarHBondContact O-N 3.12Å; R582-L584 VanDerWaalsContact C-N 3.27Å; R582-L584 PolarHBondContact O-N 3.02Å; L584-E586 VanDerWaalsContact C-N 3.31Å; L584-E586 PolarHBondContact O-N 3.02Å; L584-Q587 PolarHBondContact O-N 2.87Å; L584-M588 HydrophobicContact CD1-CG 3.76Å; L584-M588 HydrophobicContact CD1-SD 3.55Å; L584-M588 VanDerWaalsContact CD1-SD 3.55Å; L584-M588 WeakPolarHBondContact O-CB 3.35Å; L584-M588 PolarHBondContact O-N 2.95Å
585E60.2Low56Low144 Ų14486 Ų8667%0.67342%0.418SS*.Hα-helixtrans-58.4-42.6177.5-71.2-174.8158.400112.3D581 R582 M588 A589D581-E585 PolarHBondContact O-N 2.88Å; R582-E585 PolarHBondContact O-N 3.17Å; R582-E585 VanDerWaalsContact O-N 3.17Å; E585-M588 PolarHBondContact O-N 3.15Å; E585-A589 WeakPolarHBondContact O-CB 3.42Å; E585-A589 PolarHBondContact O-N 3.49Å
586E59.8Low55.4Low100 Ų10082 Ų8247%0.46741%0.41SS..Hα-helixtrans-59.6-48.3175.4-71.8170.2-157.800111.5R582 L584 A589 E590R582-E586 IonicContact NE-OE1 3Å; R582-E586 PolarHBondContact NE-OE1 2.64Å; R582-E586 WeakPolarHBondContact O-CG 3.5Å; R582-E586 PolarHBondContact O-N 3.47Å; L584-E586 VanDerWaalsContact C-N 3.31Å; L584-E586 PolarHBondContact O-N 3.02Å; E586-A589 WeakPolarHBondContact O-CB 3.47Å; E586-A589 PolarHBondContact O-N 3.35Å; E586-E590 PolarHBondContact O-N 3.26Å
587Q51.6Low54.8Low81 Ų8188.8 Ų88.838%0.37944%0.441SS..Hα-helixtrans-73.6-32.2179.1-70.5-134.9-5800113.9I583 L584 A589 E590 F591I583-Q587 WeakPolarHBondContact O-CG 3.33Å; I583-Q587 PolarHBondContact O-N 2.63Å; L584-Q587 PolarHBondContact O-N 2.87Å; Q587-A589 VanDerWaalsContact C-N 3.27Å; Q587-A589 PolarHBondContact O-N 2.95Å; Q587-E590 PolarHBondContact O-N 3.15Å; Q587-F591 WeakPolarHBondContact O-CB 3.12Å; Q587-F591 PolarHBondContact O-N 2.59Å
588M52.3Low53.9Low93 Ų9386.9 Ų86.946%0.45844%0.443SS..Hα-helixtrans-63.3-36.6170.4-83.9-175.471.500111.1L584 E585 Q592L584-M588 HydrophobicContact CD1-CG 3.76Å; L584-M588 HydrophobicContact CD1-SD 3.55Å; L584-M588 VanDerWaalsContact CD1-SD 3.55Å; L584-M588 WeakPolarHBondContact O-CB 3.35Å; L584-M588 PolarHBondContact O-N 2.95Å; E585-M588 PolarHBondContact O-N 3.15Å; M588-Q592 VanDerWaalsContact O-CB 3.24Å; M588-Q592 WeakPolarHBondContact O-CB 3.48Å; M588-Q592 WeakPolarHBondContact O-CG 3.34Å; M588-Q592 PolarHBondContact O-N 3.48Å
589A57.4Low52.8Low43 Ų4389 Ų8936%0.35545%0.451SS..Hα-helixtrans-68.1-36.4173.500000112.8E585 E586 Q587 K593E585-A589 WeakPolarHBondContact O-CB 3.42Å; E585-A589 PolarHBondContact O-N 3.49Å; E586-A589 WeakPolarHBondContact O-CB 3.47Å; E586-A589 PolarHBondContact O-N 3.35Å; Q587-A589 VanDerWaalsContact C-N 3.27Å; Q587-A589 PolarHBondContact O-N 2.95Å; A589-K593 WeakPolarHBondContact O-CD 3.2Å; A589-K593 VanDerWaalsContact O-CG 3.24Å; A589-K593 WeakPolarHBondContact O-CG 3.41Å; A589-K593 PolarHBondContact O-N 3.15Å; A589-K593 VanDerWaalsContact O-N 3.14Å
590E54.1Low51.8Low121 Ų12192.9 Ų92.957%0.56548%0.484SS*.Hα-helixtrans-68.6-45.9173-69.7-170.1144.400112.3E586 Q587 Q592 K593 A594E586-E590 PolarHBondContact O-N 3.26Å; Q587-E590 PolarHBondContact O-N 3.15Å; E590-Q592 VanDerWaalsContact C-N 3.34Å; E590-Q592 PolarHBondContact O-N 2.8Å; E590-K593 WeakPolarHBondContact O-CB 3.17Å; E590-K593 PolarHBondContact O-N 3.48Å; E590-K593 VanDerWaalsContact O-N 3.16Å; E590-A594 PolarHBondContact O-N 2.82Å
591F47.9Very low50.9Low164 Ų16499.2 Ų99.272%0.71952%0.518SS*.Hα-helixtrans-65.8-36.1179-160.1-90.1000112Q587 A594 A595Q587-F591 WeakPolarHBondContact O-CB 3.12Å; Q587-F591 PolarHBondContact O-N 2.59Å; F591-A594 PolarHBondContact O-N 3.44Å; F591-A595 VanDerWaalsContact O-CB 3.25Å; F591-A595 WeakPolarHBondContact O-CB 3.21Å; F591-A595 PolarHBondContact O-N 2.84Å
592Q48.8Very low49.6Very low128 Ų128106.9 Ų106.960%0.59854%0.542SS*.Hα-helixtrans-68.9-32.5172.9-74.2176.42600113M588 E590 G596M588-Q592 VanDerWaalsContact O-CB 3.24Å; M588-Q592 WeakPolarHBondContact O-CB 3.48Å; M588-Q592 WeakPolarHBondContact O-CG 3.34Å; M588-Q592 PolarHBondContact O-N 3.48Å; E590-Q592 VanDerWaalsContact C-N 3.34Å; E590-Q592 PolarHBondContact O-N 2.8Å; Q592-G596 PolarHBondContact O-N 2.62Å
593K50Low48.2Very low140 Ų140112.9 Ų112.961%0.60957%0.565SS**Hα-helixtrans-65.6-50.5170.8-74.2164.5-173.9168.80111A589 E590 A595 G596 E597A589-K593 WeakPolarHBondContact O-CD 3.2Å; A589-K593 VanDerWaalsContact O-CG 3.24Å; A589-K593 WeakPolarHBondContact O-CG 3.41Å; A589-K593 PolarHBondContact O-N 3.15Å; A589-K593 VanDerWaalsContact O-N 3.14Å; E590-K593 WeakPolarHBondContact O-CB 3.17Å; E590-K593 PolarHBondContact O-N 3.48Å; E590-K593 VanDerWaalsContact O-N 3.16Å; K593-A595 VanDerWaalsContact C-N 3.31Å; K593-A595 PolarHBondContact O-N 2.78Å; K593-G596 WeakPolarHBondContact O-CA 3.49Å; K593-G596 PolarHBondContact O-N 2.92Å; K593-E597 PolarHBondContact O-N 2.87Å
594A50.2Low46.7Very low59 Ų59121.7 Ų121.749%0.48860%0.602SS.*Hα-helixtrans-58.8-40.6176.900000112.3E590 F591 G596 E597 G598E590-A594 PolarHBondContact O-N 2.82Å; F591-A594 PolarHBondContact O-N 3.44Å; A594-G596 VanDerWaalsContact C-N 3.3Å; A594-G596 PolarHBondContact O-N 3.44Å; A594-E597 PolarHBondContact O-N 2.81Å; A594-G598 PolarHBondContact O-N 3.49Å
595A42.8Very low45.5Very low58 Ų58125.1 Ų125.148%0.47964%0.636SS.*Hα-helixtrans-71.7-20.7173.900000113.9F591 K593F591-A595 VanDerWaalsContact O-CB 3.25Å; F591-A595 WeakPolarHBondContact O-CB 3.21Å; F591-A595 PolarHBondContact O-N 2.84Å; K593-A595 VanDerWaalsContact C-N 3.31Å; K593-A595 PolarHBondContact O-N 2.78Å
596G44.9Very low44.1Very low37 Ų37121.8 Ų121.838%0.38164%0.64SS.*Hα-helixtrans-70.9-49.3169.800000111.8Q592 K593 A594 R599Q592-G596 PolarHBondContact O-N 2.62Å; K593-G596 WeakPolarHBondContact O-CA 3.49Å; K593-G596 PolarHBondContact O-N 2.92Å; A594-G596 VanDerWaalsContact C-N 3.3Å; A594-G596 PolarHBondContact O-N 3.44Å; G596-R599 WeakPolarHBondContact O-CG 3.44Å
597E43.7Very low42.5Very low157 Ų157123 Ų12373%0.73466%0.66SS**Hα-helixtrans-69.2-36.5178.6-66.6174.3171.800112K593 A594 R599 A600K593-E597 PolarHBondContact O-N 2.87Å; A594-E597 PolarHBondContact O-N 2.81Å; E597-R599 PolarHBondContact O-N 3.48Å; E597-A600 PolarHBondContact O-N 3.18Å
598G41Very low41.6Very low42 Ų42124 Ų12443%0.43368%0.676SS.*G310 helixtrans-61.9-4.7179.800000116.4A594 A600A594-G598 PolarHBondContact O-N 3.49Å; G598-A600 PolarHBondContact O-N 3.46Å
599R39.2Very low40.5Very low214 Ų214126.9 Ų126.981%0.80869%0.692SS**G310 helixtrans-68.6-20.7176.4-62.2-173.6-167.1-169.37.3113.6G596 E597G596-R599 WeakPolarHBondContact O-CG 3.44Å; E597-R599 PolarHBondContact O-N 3.48Å
600A40.1Very low39.5Very low92 Ų92129.9 Ų129.976%0.7671%0.71SS**G310 helixtrans-83.2-20.6-178.300000114.7E597 G598E597-A600 PolarHBondContact O-N 3.18Å; G598-A600 PolarHBondContact O-N 3.46Å
601L39.3Very low38.2Very low154 Ų154129.1 Ų129.181%0.80671%0.714SS**  trans-115.326.9-165.8-84.9163.4000114.7R603L601-R603 VanDerWaalsContact C-N 3.32Å; L601-R603 PolarHBondContact O-N 3.47Å; L601-R603 VanDerWaalsContact O-N 3.1Å
602R35.1Very low37.6Very low232 Ų232126.1 Ų126.188%0.87572%0.72SS**  trans-88.445.8-172.9-144.9174.7-164.5-176.95.2115.2
603R35.4Very low36.7Very low246 Ų246128.7 Ų128.793%0.92873%0.729SS**SBendtrans-143.741.2174.8-90.1-157.5179.6-168.41.8116L601L601-R603 VanDerWaalsContact C-N 3.32Å; L601-R603 PolarHBondContact O-N 3.47Å; L601-R603 VanDerWaalsContact O-N 3.1Å
604K30.9Very low35.7Very low212 Ų212126.9 Ų126.992%0.92274%0.74SS**  trans-161.7133.5147.1-111.4175.6177.5-171.40107.8
605A30.8Very low34.7Very low110 Ų110131.1 Ų131.191%0.90975%0.753SS**  trans-136.9124.5174.600000107.6
606G30.5Very low34.2Very low74 Ų74134.2 Ų134.276%0.76377%0.768SS**  trans148.2143.7-170.900000110.5
607S25.5Very low33.6Very low126 Ų126138.6 Ų138.688%0.88179%0.787SS**  trans71.9154.2-170-1520000117.3
608S33.9Very low33Very low103 Ų103142.7 Ų142.772%0.7280%0.796SS**  trans-75.9170.1173.1-172.80000110.9
609L28.5Very low32.6Very low153 Ų153150.3 Ų150.380%0.80182%0.817SS**  trans-167146.8141-110.8166.2000112.3
610S35.9Very low32.3Very low105 Ų105151.9 Ų151.973%0.73482%0.823SS**  trans-65.5137.8168.650.10000111.9
611V28.2Very low32.2Very low105 Ų105156.9 Ų156.964%0.63683%0.827SS**  trans-113.4108.9170.3-178.70000109.7F613V611-F613 HydrophobicContact CB-CE2 3.94Å; V611-F613 HydrophobicContact CB-CZ 4.42Å; V611-F613 HydrophobicContact CG1-CD2 4.14Å; V611-F613 HydrophobicContact CG1-CE1 4.37Å; V611-F613 HydrophobicContact CG1-CE2 3.63Å; V611-F613 HydrophobicContact CG1-CZ 3.76Å; V611-F613 VanDerWaalsContact O-CD2 3.3Å; V611-F613 WeakPolarHBondContact O-CD2 3.39Å
612A35.5Very low32.2Very low102 Ų102155.5 Ų155.584%0.84383%0.828SS**  trans-74.5122.7171.800000110.2
613F29.2Very low32.9Very low182 Ų182148.6 Ų148.680%0.79881%0.808SS**  trans-96.5109.1-179.9-78.5-85.5000111.8V611V611-F613 HydrophobicContact CB-CE2 3.94Å; V611-F613 HydrophobicContact CB-CZ 4.42Å; V611-F613 HydrophobicContact CG1-CD2 4.14Å; V611-F613 HydrophobicContact CG1-CE1 4.37Å; V611-F613 HydrophobicContact CG1-CE2 3.63Å; V611-F613 HydrophobicContact CG1-CZ 3.76Å; V611-F613 VanDerWaalsContact O-CD2 3.3Å; V611-F613 WeakPolarHBondContact O-CD2 3.39Å
614A29.7Very low34Very low101 Ų101141.5 Ų141.584%0.83579%0.792SS**  trans-71.1155.8177.300000113.1
615I28.8Very low35.3Very low149 Ų149139.1 Ų139.176%0.76478%0.784SS**  trans-105.4123.2-169.2-53.8168.6000111.7V617I615-V617 HydrophobicContact CG2-CG2 3.87Å
616P32.1Very low36.9Very low123 Ų123137.4 Ų137.480%0.79977%0.77SS**  trans-99.398.7170.734-28.5000112.7
617V31.8Very low38.3Very low129 Ų129138.3 Ų138.378%0.78276%0.755SS**  trans-83.3136178.1-177.40000112.1I615 K619I615-V617 HydrophobicContact CG2-CG2 3.87Å; V617-K619 PolarHBondContact O-N 2.87Å
618R32.5Very low39.8Very low243 Ų243135.7 Ų135.792%0.91773%0.73SS**  trans-82.7104.3-177.2-76.9-174.6172.9-177.9-0114.4
619K31.2Very low41.4Very low202 Ų202136.7 Ų136.788%0.87872%0.724SS**  trans27.9118.8144-59.9-174.6178.8-175.80119.4V617V617-K619 PolarHBondContact O-N 2.87Å
620R33.3Very low43.4Very low247 Ų247133.9 Ų133.993%0.93271%0.709SS**  trans-114.4173.1140.1-77.5-174.1171.7-175.9-1.4109.4
621K39.1Very low44.7Very low196 Ų196135.9 Ų135.985%0.85270%0.7SS**SBendtrans-45138.4-164.8-69.5-177.6177.3-179.30114.1L623K621-L623 PolarHBondContact O-N 2.91Å
622P39.3Very low46.3Very low126 Ų126136.3 Ų136.382%0.81870%0.695SS**PPolyproline II helixtrans-70126.1-174.928.8-34.7000112.1
623L48.6Very low48.2Very low87 Ų87139.5 Ų139.546%0.45569%0.686SS.*PPolyproline II helixtrans-85.1157.2138.6-70.598.3000107.7K621 E625 L628K621-L623 PolarHBondContact O-N 2.91Å; L623-E625 PolarHBondContact O-N 3.39Å; L623-L628 HydrophobicContact CB-CD1 4.06Å; L623-L628 HydrophobicContact CB-CG 4Å
624T58.8Low50.3Low97 Ų97138.8 Ų138.860%0.59568%0.678SS**PPolyproline II helixtrans-56.7129.9177.33.90000111.4A626 E627 L628T624-A626 PolarHBondContact O-N 3.24Å; T624-E627 WeakPolarHBondContact O-CA 3.19Å; T624-E627 WeakPolarHBondContact O-CB 3.42Å; T624-E627 PolarHBondContact O-N 2.89Å; T624-E627 PolarHBondContact OG1-OE2 3.03Å; T624-L628 PolarHBondContact O-N 2.74Å; T624-L628 VanDerWaalsContact O-N 3.13Å
625E57.7Low52.2Low161 Ų161143.6 Ų143.675%0.75267%0.674SS**Hα-helixtrans-56.8-47.4-170.2-69.5169.3146.700112.1L623 E627 L628 E629L623-E625 PolarHBondContact O-N 3.39Å; E625-E627 PolarHBondContact O-N 3.42Å; E625-E627 VanDerWaalsContact O-N 3.11Å; E625-L628 PolarHBondContact O-N 3.44Å; E625-L628 VanDerWaalsContact O-N 3.08Å; E625-E629 WeakPolarHBondContact O-CG 3.48Å; E625-E629 PolarHBondContact O-N 3.13Å
626A64.3Low54.1Low75 Ų75142.6 Ų142.662%0.6267%0.666SS**Hα-helixtrans-57.6-26.3175.300000114.5T624 L630T624-A626 PolarHBondContact O-N 3.24Å; A626-L630 VanDerWaalsContact O-CB 3.24Å; A626-L630 WeakPolarHBondContact O-CB 3.39Å; A626-L630 PolarHBondContact O-N 3.17Å
627E60.7Low56.2Low93 Ų93141.1 Ų141.144%0.43565%0.649SS.*Hα-helixtrans-85.5-32.2178.1-162.8-175.4173.500112.1T624 E625 R631T624-E627 WeakPolarHBondContact O-CA 3.19Å; T624-E627 WeakPolarHBondContact O-CB 3.42Å; T624-E627 PolarHBondContact O-N 2.89Å; T624-E627 PolarHBondContact OG1-OE2 3.03Å; E625-E627 PolarHBondContact O-N 3.42Å; E625-E627 VanDerWaalsContact O-N 3.11Å; E627-R631 WeakPolarHBondContact O-CB 3.17Å; E627-R631 PolarHBondContact O-N 2.95Å; E627-R631 VanDerWaalsContact O-N 3.12Å
628L57.1Low58.3Low71 Ų71137.1 Ų137.137%0.37263%0.629SS.*Hα-helixtrans-67.7-47.9170.2-83.1168000111.2L623 T624 E625 L630 R631 Q632L623-L628 HydrophobicContact CB-CD1 4.06Å; L623-L628 HydrophobicContact CB-CG 4Å; T624-L628 PolarHBondContact O-N 2.74Å; T624-L628 VanDerWaalsContact O-N 3.13Å; E625-L628 PolarHBondContact O-N 3.44Å; E625-L628 VanDerWaalsContact O-N 3.08Å; L628-L630 PolarHBondContact O-N 3.45Å; L628-R631 CarbonylContact O-C 3.59Å; L628-R631 PolarHBondContact O-N 2.96Å; L628-Q632 WeakPolarHBondContact O-CG 3.33Å; L628-Q632 PolarHBondContact O-N 3.36Å
629E66.7Low60.4Low123 Ų123128.3 Ų128.358%0.57561%0.608SS**Hα-helixtrans-58.9-47.4176.2-72.1-178.9173.900111.5E625 R631 Q632 R633E625-E629 WeakPolarHBondContact O-CG 3.48Å; E625-E629 PolarHBondContact O-N 3.13Å; E629-R631 VanDerWaalsContact C-N 3.27Å; E629-R631 PolarHBondContact O-N 3.39Å; E629-Q632 PolarHBondContact O-N 3.02Å; E629-Q632 VanDerWaalsContact O-N 3.11Å; E629-R633 WeakPolarHBondContact O-CB 3.4Å; E629-R633 PolarHBondContact O-N 3.37Å
630L71.9Confident62.7Low94 Ų94121.6 Ų121.649%0.49259%0.591SS.*Hα-helixtrans-61.7-34.6177.3-176.262.9000112.3A626 L628 R634A626-L630 VanDerWaalsContact O-CB 3.24Å; A626-L630 WeakPolarHBondContact O-CB 3.39Å; A626-L630 PolarHBondContact O-N 3.17Å; L628-L630 PolarHBondContact O-N 3.45Å; L630-R634 VanDerWaalsContact O-CB 3.27Å; L630-R634 WeakPolarHBondContact O-CB 3.49Å; L630-R634 VanDerWaalsContact O-CG 3.27Å; L630-R634 WeakPolarHBondContact O-CG 3.39Å; L630-R634 PolarHBondContact O-N 2.92Å
631R61.7Low64.9Low147 Ų147116.7 Ų116.756%0.55558%0.576SS**Hα-helixtrans-73.3-34.7172.9-92.6179.4159.7159.4-2.9113.2E627 L628 E629 R635E627-R631 WeakPolarHBondContact O-CB 3.17Å; E627-R631 PolarHBondContact O-N 2.95Å; E627-R631 VanDerWaalsContact O-N 3.12Å; L628-R631 CarbonylContact O-C 3.59Å; L628-R631 PolarHBondContact O-N 2.96Å; E629-R631 VanDerWaalsContact C-N 3.27Å; E629-R631 PolarHBondContact O-N 3.39Å; R631-R635 WeakPolarHBondContact O-CB 3.35Å; R631-R635 WeakPolarHBondContact O-CG 3.5Å; R631-R635 PolarHBondContact O-N 3.37Å
632Q62.3Low66.7Low114 Ų114116.1 Ų116.153%0.53357%0.568SS.*Hα-helixtrans-70.2-50.3176.3-74.9177.3-5.100110.7L628 E629 R634 R635 Q636L628-Q632 WeakPolarHBondContact O-CG 3.33Å; L628-Q632 PolarHBondContact O-N 3.36Å; E629-Q632 PolarHBondContact O-N 3.02Å; E629-Q632 VanDerWaalsContact O-N 3.11Å; Q632-R634 PolarHBondContact O-N 3.04Å; Q632-R635 PolarHBondContact O-N 3.37Å; Q632-Q636 WeakPolarHBondContact O-CG 3.45Å; Q632-Q636 PolarHBondContact O-N 2.86Å
633R74.5Confident68.6Low170 Ų170112.9 Ų112.964%0.64255%0.553SS**Hα-helixtrans-52.6-52.9171.5-103.7-177.7167.5152.6-4111.7E629 R635 Q636 E637E629-R633 WeakPolarHBondContact O-CB 3.4Å; E629-R633 PolarHBondContact O-N 3.37Å; R633-R635 PolarHBondContact O-N 3.38Å; R633-Q636 PolarHBondContact O-N 3.26Å; R633-Q636 VanDerWaalsContact O-N 3.11Å; R633-E637 WeakPolarHBondContact O-CB 3.33Å; R633-E637 VanDerWaalsContact O-CG 3.29Å; R633-E637 WeakPolarHBondContact O-CG 3.42Å; R633-E637 PolarHBondContact O-N 2.95Å
634R74.7Confident70.4Confident167 Ų167114.9 Ų114.963%0.6356%0.558SS**Hα-helixtrans-60.9-29177.8-77.8178.6165.9-170.4-3.9114L630 Q632 A638L630-R634 VanDerWaalsContact O-CB 3.27Å; L630-R634 WeakPolarHBondContact O-CB 3.49Å; L630-R634 VanDerWaalsContact O-CG 3.27Å; L630-R634 WeakPolarHBondContact O-CG 3.39Å; L630-R634 PolarHBondContact O-N 2.92Å; Q632-R634 PolarHBondContact O-N 3.04Å; R634-A638 WeakPolarHBondContact O-CB 3.45Å; R634-A638 PolarHBondContact O-N 2.86Å; R634-A638 VanDerWaalsContact O-N 3.16Å
635R68.4Low71.3Confident201 Ų201116.6 Ų116.676%0.75856%0.561SS**Hα-helixtrans-75.9-42.3173.1-80.7178.3171.2-168.4-2.8112.1R631 Q632 R633 A638 A639R631-R635 WeakPolarHBondContact O-CB 3.35Å; R631-R635 WeakPolarHBondContact O-CG 3.5Å; R631-R635 PolarHBondContact O-N 3.37Å; Q632-R635 PolarHBondContact O-N 3.37Å; R633-R635 PolarHBondContact O-N 3.38Å; R635-A638 PolarHBondContact O-N 3.48Å; R635-A639 WeakPolarHBondContact O-CB 3.5Å; R635-A639 PolarHBondContact O-N 3.44Å
636Q68.9Low72Confident128 Ų128115.6 Ų115.660%0.59856%0.558SS**Hα-helixtrans-65.4-47.6176.5-72.3166.7-32.400111.2Q632 R633 A638 A639 A640Q632-Q636 WeakPolarHBondContact O-CG 3.45Å; Q632-Q636 PolarHBondContact O-N 2.86Å; R633-Q636 PolarHBondContact O-N 3.26Å; R633-Q636 VanDerWaalsContact O-N 3.11Å; Q636-A638 VanDerWaalsContact C-N 3.34Å; Q636-A638 PolarHBondContact O-N 3Å; Q636-A639 PolarHBondContact O-N 3.08Å; Q636-A640 WeakPolarHBondContact O-CB 3.48Å; Q636-A640 PolarHBondContact O-N 2.76Å
637E77.4Confident72.6Confident93 Ų93118.3 Ų118.344%0.43556%0.557SS.*Hα-helixtrans-59-41.4173.6-70.7167-145.400112.3R633 K641R633-E637 WeakPolarHBondContact O-CB 3.33Å; R633-E637 VanDerWaalsContact O-CG 3.29Å; R633-E637 WeakPolarHBondContact O-CG 3.42Å; R633-E637 PolarHBondContact O-N 2.95Å; E637-K641 VanDerWaalsContact O-CB 3.3Å; E637-K641 WeakPolarHBondContact O-CB 3.44Å; E637-K641 VanDerWaalsContact O-CG 3.29Å; E637-K641 WeakPolarHBondContact O-CG 3.5Å; E637-K641 PolarHBondContact O-N 2.77Å
638A75Confident73.4Confident45 Ų45116.6 Ų116.637%0.37255%0.551SS.*Hα-helixtrans-71.7-31.3176.800000112.8R634 R635 Q636 R642R634-A638 WeakPolarHBondContact O-CB 3.45Å; R634-A638 PolarHBondContact O-N 2.86Å; R634-A638 VanDerWaalsContact O-N 3.16Å; R635-A638 PolarHBondContact O-N 3.48Å; Q636-A638 VanDerWaalsContact C-N 3.34Å; Q636-A638 PolarHBondContact O-N 3Å; A638-R642 WeakPolarHBondContact O-CB 3.44Å; A638-R642 WeakPolarHBondContact O-CD 3.48Å; A638-R642 WeakPolarHBondContact O-CG 3.39Å; A638-R642 PolarHBondContact O-N 2.8Å
639A76Confident74.4Confident57 Ų57118.6 Ų118.647%0.47156%0.557SS.*Hα-helixtrans-70-49.7172.600000110.9R635 Q636 K641 R642 A643R635-A639 WeakPolarHBondContact O-CB 3.5Å; R635-A639 PolarHBondContact O-N 3.44Å; Q636-A639 PolarHBondContact O-N 3.08Å; A639-K641 PolarHBondContact O-N 2.92Å; A639-R642 CarbonylContact O-C 3.59Å; A639-R642 WeakPolarHBondContact O-CB 3.46Å; A639-R642 PolarHBondContact O-N 3.2Å; A639-A643 PolarHBondContact O-N 3.01Å
640A80.3Confident74.8Confident62 Ų62118.3 Ų118.351%0.51255%0.554SS.*Hα-helixtrans-59.6-44.4177.300000112.2Q636 R642 A643 K644Q636-A640 WeakPolarHBondContact O-CB 3.48Å; Q636-A640 PolarHBondContact O-N 2.76Å; A640-R642 VanDerWaalsContact C-N 3.29Å; A640-R642 PolarHBondContact O-N 2.96Å; A640-A643 PolarHBondContact O-N 3.21Å; A640-K644 WeakPolarHBondContact O-CB 3.29Å; A640-K644 PolarHBondContact O-N 3.28Å
641K80.6Confident75Confident143 Ų143121 Ų12162%0.62256%0.557SS**Hα-helixtrans-65-29.8174.6-74.7175.3178.6174.60113.2E637 A639 M645E637-K641 VanDerWaalsContact O-CB 3.3Å; E637-K641 WeakPolarHBondContact O-CB 3.44Å; E637-K641 VanDerWaalsContact O-CG 3.29Å; E637-K641 WeakPolarHBondContact O-CG 3.5Å; E637-K641 PolarHBondContact O-N 2.77Å; A639-K641 PolarHBondContact O-N 2.92Å; K641-M645 WeakPolarHBondContact O-CB 3.45Å; K641-M645 WeakPolarHBondContact O-CG 3.16Å; K641-M645 PolarHBondContact O-N 2.95Å; K641-M645 VanDerWaalsContact O-N 3.11Å
642R76.6Confident75.6Confident184 Ų184119.6 Ų119.669%0.69456%0.557SS**Hα-helixtrans-76.3-40.2173.8-78172.3176.4-166.4-2.6112.4A638 A639 A640 M646A638-R642 WeakPolarHBondContact O-CB 3.44Å; A638-R642 WeakPolarHBondContact O-CD 3.48Å; A638-R642 WeakPolarHBondContact O-CG 3.39Å; A638-R642 PolarHBondContact O-N 2.8Å; A639-R642 CarbonylContact O-C 3.59Å; A639-R642 WeakPolarHBondContact O-CB 3.46Å; A639-R642 PolarHBondContact O-N 3.2Å; A640-R642 VanDerWaalsContact C-N 3.29Å; A640-R642 PolarHBondContact O-N 2.96Å; R642-M646 WeakPolarHBondContact O-CB 3.48Å; R642-M646 WeakPolarHBondContact O-CG 3.2Å; R642-M646 PolarHBondContact O-N 3.33Å
643A78.3Confident76.2Confident59 Ų59118.1 Ų118.149%0.48855%0.55SS.*Hα-helixtrans-58.7-55.4172.800000109.9A639 A640 M645 M646 E647A639-A643 PolarHBondContact O-N 3.01Å; A640-A643 PolarHBondContact O-N 3.21Å; A643-M645 PolarHBondContact O-N 3.4Å; A643-M646 WeakPolarHBondContact O-CB 3.31Å; A643-M646 PolarHBondContact O-N 3.12Å; A643-E647 WeakPolarHBondContact O-CB 3.31Å; A643-E647 PolarHBondContact O-N 2.86Å
644K87.3Confident76.2Confident129 Ų129114 Ų11456%0.56154%0.538SS*.Hα-helixtrans-58.9-43.9179.3-175.4153-172.3158.90113.2A640 M646 E647 D648A640-K644 WeakPolarHBondContact O-CB 3.29Å; A640-K644 PolarHBondContact O-N 3.28Å; K644-M646 VanDerWaalsContact C-N 3.32Å; K644-M646 PolarHBondContact O-N 2.59Å; K644-E647 PolarHBondContact O-N 2.73Å; K644-D648 WeakPolarHBondContact CG-OD2 3.38Å; K644-D648 VanDerWaalsContact O-CB 3.32Å; K644-D648 WeakPolarHBondContact O-CB 3.49Å; K644-D648 PolarHBondContact O-N 2.73Å
645M76.8Confident76.3Confident133 Ų133110.1 Ų110.166%0.65553%0.527SS*.Hα-helixtrans-67.7-26.7175.2-74.3-159.5-48.200114.5K641 A643 K649K641-M645 WeakPolarHBondContact O-CB 3.45Å; K641-M645 WeakPolarHBondContact O-CG 3.16Å; K641-M645 PolarHBondContact O-N 2.95Å; K641-M645 VanDerWaalsContact O-N 3.11Å; A643-M645 PolarHBondContact O-N 3.4Å; M645-K649 WeakPolarHBondContact O-CB 3.47Å; M645-K649 PolarHBondContact O-N 2.89Å
646M72.7Confident76.7Confident140 Ų140104.2 Ų104.269%0.6951%0.508SS*.Hα-helixtrans-73.3-37.6172.9-74-73.6-67.400111.2R642 A643 K644 K650R642-M646 WeakPolarHBondContact O-CB 3.48Å; R642-M646 WeakPolarHBondContact O-CG 3.2Å; R642-M646 PolarHBondContact O-N 3.33Å; A643-M646 WeakPolarHBondContact O-CB 3.31Å; A643-M646 PolarHBondContact O-N 3.12Å; K644-M646 VanDerWaalsContact C-N 3.32Å; K644-M646 PolarHBondContact O-N 2.59Å; M646-K650 WeakPolarHBondContact O-CB 3.4Å; M646-K650 PolarHBondContact O-N 2.86Å
647E77.1Confident77.1Confident131 Ų131103.5 Ų103.561%0.61250%0.503SS*.Hα-helixtrans-71-52.5177.7-176.7166.2-125.300112.1A643 K644 K649 K650 R651A643-E647 WeakPolarHBondContact O-CB 3.31Å; A643-E647 PolarHBondContact O-N 2.86Å; K644-E647 PolarHBondContact O-N 2.73Å; E647-K649 PolarHBondContact O-N 3.37Å; E647-K650 WeakPolarHBondContact O-CB 3.25Å; E647-K650 PolarHBondContact O-N 3.21Å; E647-R651 PolarHBondContact O-N 2.7Å
648D77.3Confident77.1Confident57 Ų57103.7 Ų103.731%0.30550%0.504SS..Hα-helixtrans-52.2-42.7172.1-69.9-33.1000110.7K644 Q652K644-D648 WeakPolarHBondContact CG-OD2 3.38Å; K644-D648 VanDerWaalsContact O-CB 3.32Å; K644-D648 WeakPolarHBondContact O-CB 3.49Å; K644-D648 PolarHBondContact O-N 2.73Å; D648-Q652 WeakPolarHBondContact O-CB 3.25Å; D648-Q652 VanDerWaalsContact O-CG 3.3Å; D648-Q652 WeakPolarHBondContact O-CG 3.22Å; D648-Q652 PolarHBondContact O-N 3.15Å
649K77.6Confident77.3Confident113 Ų113108.3 Ų108.349%0.49151%0.512SS..Hα-helixtrans-69.1-41.7176.9-178.1174.5-177.9-78.30112.6M645 E647 R651 Q652 E653M645-K649 WeakPolarHBondContact O-CB 3.47Å; M645-K649 PolarHBondContact O-N 2.89Å; E647-K649 PolarHBondContact O-N 3.37Å; K649-R651 VanDerWaalsContact C-N 3.32Å; K649-Q652 PolarHBondContact O-N 3.38Å; K649-E653 IonicContact NZ-OE1 3.2Å; K649-E653 PolarHBondContact NZ-OE1 3.36Å; K649-E653 WeakPolarHBondContact O-CG 3.46Å; K649-E653 PolarHBondContact O-N 3.22Å
650K76.1Confident77.7Confident117 Ų117111.4 Ų111.451%0.50951%0.514SS..Hα-helixtrans-60.8-44.6175.5179.4-178.8172.7-65.10110.2M646 E647 E653 E654M646-K650 WeakPolarHBondContact O-CB 3.4Å; M646-K650 PolarHBondContact O-N 2.86Å; E647-K650 WeakPolarHBondContact O-CB 3.25Å; E647-K650 PolarHBondContact O-N 3.21Å; K650-E653 PolarHBondContact O-N 3.32Å; K650-E654 WeakPolarHBondContact CE-OE1 3.48Å; K650-E654 WeakPolarHBondContact CG-OE1 3.48Å; K650-E654 IonicContact NZ-OE1 2.71Å; K650-E654 PolarHBondContact NZ-OE1 2.94Å; K650-E654 IonicContact NZ-OE2 2.68Å; K650-E654 PolarHBondContact NZ-OE2 3.41Å; K650-E654 WeakPolarHBondContact O-CB 3.25Å; K650-E654 WeakPolarHBondContact O-CG 3.39Å; K650-E654 PolarHBondContact O-N 3.13Å
651R76Confident77.6Confident151 Ų151110.4 Ų110.457%0.5750%0.499SS*.Hα-helixtrans-62.3-46.6176.5-149.5-172.677.5-166.75.8111.6E647 K649 E653 E654 E655E647-R651 PolarHBondContact O-N 2.7Å; K649-R651 VanDerWaalsContact C-N 3.32Å; R651-E653 VanDerWaalsContact C-N 3.34Å; R651-E653 PolarHBondContact O-N 3.31Å; R651-E654 CarbonylContact O-C 3.53Å; R651-E654 WeakPolarHBondContact O-CA 3.3Å; R651-E654 PolarHBondContact O-N 2.95Å; R651-E655 IonicContact CZ-OE1 3.61Å; R651-E655 IonicContact NE-OE1 2.81Å; R651-E655 PolarHBondContact NE-OE1 3.39Å; R651-E655 IonicContact NH2-OE1 3.46Å; R651-E655 PolarHBondContact NH2-OE1 2.78Å; R651-E655 VanDerWaalsContact NH2-OE1 3.08Å; R651-E655 WeakPolarHBondContact O-CB 3.33Å; R651-E655 VanDerWaalsContact O-CG 3.29Å; R651-E655 WeakPolarHBondContact O-CG 3.31Å; R651-E655 PolarHBondContact O-N 3.42Å
652Q74.4Confident77.3Confident118 Ų118105.3 Ų105.355%0.55148%0.479SS*.Hα-helixtrans-59.5-40.6173.4-75.6173.312.400112.8D648 K649 E654 E656D648-Q652 WeakPolarHBondContact O-CB 3.25Å; D648-Q652 VanDerWaalsContact O-CG 3.3Å; D648-Q652 WeakPolarHBondContact O-CG 3.22Å; D648-Q652 PolarHBondContact O-N 3.15Å; K649-Q652 PolarHBondContact O-N 3.38Å; Q652-E654 VanDerWaalsContact C-N 3.26Å; Q652-E654 PolarHBondContact O-N 3.22Å; Q652-E656 VanDerWaalsContact O-CB 3.24Å; Q652-E656 WeakPolarHBondContact O-CB 3.39Å; Q652-E656 WeakPolarHBondContact O-CG 3.42Å; Q652-E656 PolarHBondContact O-N 3.19Å
653E73.9Confident77.6Confident83 Ų8399 Ų9939%0.38847%0.467SS..Hα-helixtrans-66.7-27.7174.5-76.1-174.6-153.100112.8K649 K650 R651 K657K649-E653 IonicContact NZ-OE1 3.2Å; K649-E653 PolarHBondContact NZ-OE1 3.36Å; K649-E653 WeakPolarHBondContact O-CG 3.46Å; K649-E653 PolarHBondContact O-N 3.22Å; K650-E653 PolarHBondContact O-N 3.32Å; R651-E653 VanDerWaalsContact C-N 3.34Å; R651-E653 PolarHBondContact O-N 3.31Å; E653-K657 WeakPolarHBondContact O-CD 3.38Å; E653-K657 WeakPolarHBondContact O-CE 3.44Å; E653-K657 WeakPolarHBondContact O-CG 3.47Å; E653-K657 PolarHBondContact O-N 3.39Å; E653-K657 PolarHBondContact O-NZ 2.93Å; E653-K657 IonicContact OE2-NZ 3.79Å
654E74.6Confident77.7Confident82 Ų82101.2 Ų101.238%0.38346%0.462SS..Hα-helixtrans-81.7-43.8177.1-75.9160.9-179.300111.6K650 R651 Q652 E656 K657 H658K650-E654 WeakPolarHBondContact CE-OE1 3.48Å; K650-E654 WeakPolarHBondContact CG-OE1 3.48Å; K650-E654 IonicContact NZ-OE1 2.71Å; K650-E654 PolarHBondContact NZ-OE1 2.94Å; K650-E654 IonicContact NZ-OE2 2.68Å; K650-E654 PolarHBondContact NZ-OE2 3.41Å; K650-E654 WeakPolarHBondContact O-CB 3.25Å; K650-E654 WeakPolarHBondContact O-CG 3.39Å; K650-E654 PolarHBondContact O-N 3.13Å; R651-E654 CarbonylContact O-C 3.53Å; R651-E654 WeakPolarHBondContact O-CA 3.3Å; R651-E654 PolarHBondContact O-N 2.95Å; Q652-E654 VanDerWaalsContact C-N 3.26Å; Q652-E654 PolarHBondContact O-N 3.22Å; E654-E656 VanDerWaalsContact C-N 3.32Å; E654-E656 PolarHBondContact O-N 2.98Å; E654-K657 PolarHBondContact O-N 3.11Å; E654-K657 VanDerWaalsContact O-N 3.14Å; E654-H658 WeakPolarHBondContact O-CB 3.48Å; E654-H658 PolarHBondContact O-N 3.05Å
655E76.5Confident77.4Confident87 Ų8796 Ų9641%0.40744%0.439SS..Hα-helixtrans-53.8-45.5167-70.1168.1-158.100111.3R651 H658 R659R651-E655 IonicContact CZ-OE1 3.61Å; R651-E655 IonicContact NE-OE1 2.81Å; R651-E655 PolarHBondContact NE-OE1 3.39Å; R651-E655 IonicContact NH2-OE1 3.46Å; R651-E655 PolarHBondContact NH2-OE1 2.78Å; R651-E655 VanDerWaalsContact NH2-OE1 3.08Å; R651-E655 WeakPolarHBondContact O-CB 3.33Å; R651-E655 VanDerWaalsContact O-CG 3.29Å; R651-E655 WeakPolarHBondContact O-CG 3.31Å; R651-E655 PolarHBondContact O-N 3.42Å; E655-H658 PolarHBondContact O-N 2.77Å; E655-R659 VanDerWaalsContact O-CB 3.29Å; E655-R659 WeakPolarHBondContact O-CB 3.49Å; E655-R659 PolarHBondContact O-N 3.17Å
656E78.1Confident77.5Confident76 Ų7696.5 Ų96.536%0.35544%0.44SS..Hα-helixtrans-61.7-41.7174.9-83.5-104.3130.400112.9Q652 E654 R659 K660Q652-E656 VanDerWaalsContact O-CB 3.24Å; Q652-E656 WeakPolarHBondContact O-CB 3.39Å; Q652-E656 WeakPolarHBondContact O-CG 3.42Å; Q652-E656 PolarHBondContact O-N 3.19Å; E654-E656 VanDerWaalsContact C-N 3.32Å; E654-E656 PolarHBondContact O-N 2.98Å; E656-R659 IonicContact OE1-CZ 2.77Å; E656-R659 IonicContact OE1-NH1 3.62Å; E656-R659 IonicContact OE1-NH2 3.36Å; E656-R659 PolarHBondContact OE1-NH2 3.11Å; E656-K660 WeakPolarHBondContact O-CB 3.1Å; E656-K660 VanDerWaalsContact O-CD 3.23Å; E656-K660 WeakPolarHBondContact O-CD 3.5Å; E656-K660 WeakPolarHBondContact O-CG 3.19Å; E656-K660 PolarHBondContact O-N 2.88Å; E656-K660 IonicContact OE2-NZ 3.76Å; E656-K660 PolarHBondContact OE2-NZ 3.21Å
657K76.9Confident77.8Confident114 Ų11494.2 Ų94.250%0.49644%0.438SS..Hα-helixtrans-68.3-44.1177.4-71.9156.3-157.1151.70110.2E653 E654 K660 K661E653-K657 WeakPolarHBondContact O-CD 3.38Å; E653-K657 WeakPolarHBondContact O-CE 3.44Å; E653-K657 WeakPolarHBondContact O-CG 3.47Å; E653-K657 PolarHBondContact O-N 3.39Å; E653-K657 PolarHBondContact O-NZ 2.93Å; E653-K657 IonicContact OE2-NZ 3.79Å; E654-K657 PolarHBondContact O-N 3.11Å; E654-K657 VanDerWaalsContact O-N 3.14Å; K657-K660 PolarHBondContact O-N 3.01Å; K657-K661 PolarHBondContact O-N 3.43Å
658H76.4Confident77.6Confident96 Ų9691.2 Ų91.244%0.44443%0.43SS..Hα-helixtrans-61.4-49.6177.6-170.7-107.7000111.3E654 E655 K660 K661 T662E654-H658 WeakPolarHBondContact O-CB 3.48Å; E654-H658 PolarHBondContact O-N 3.05Å; E655-H658 PolarHBondContact O-N 2.77Å; H658-K660 PolarHBondContact O-N 2.99Å; H658-K661 CarbonylContact O-C 3.57Å; H658-K661 WeakPolarHBondContact O-CA 3.36Å; H658-K661 WeakPolarHBondContact O-CB 3.47Å; H658-K661 PolarHBondContact O-N 2.84Å; H658-T662 PolarHBondContact O-N 3.34Å; H658-T662 PolarHBondContact O-OG1 3.05Å
659R80.8Confident77.3Confident143 Ų14392 Ų9254%0.5445%0.452SS..Hα-helixtrans-58.7-31.5176.3-167.9177.574-133.6-1.4113.3E655 E656 T662 A663E655-R659 VanDerWaalsContact O-CB 3.29Å; E655-R659 WeakPolarHBondContact O-CB 3.49Å; E655-R659 PolarHBondContact O-N 3.17Å; E656-R659 IonicContact OE1-CZ 2.77Å; E656-R659 IonicContact OE1-NH1 3.62Å; E656-R659 IonicContact OE1-NH2 3.36Å; E656-R659 PolarHBondContact OE1-NH2 3.11Å; R659-T662 PolarHBondContact O-OG1 3.04Å; R659-A663 WeakPolarHBondContact O-CB 3.18Å; R659-A663 PolarHBondContact O-N 2.81Å
660K82.9Confident77.3Confident122 Ų12287.7 Ų87.753%0.5343%0.433SS..Hα-helixtrans-77.2-32.6173.3-70.2162.4-166.3161.30112.1E656 K657 H658 W664E656-K660 WeakPolarHBondContact O-CB 3.1Å; E656-K660 VanDerWaalsContact O-CD 3.23Å; E656-K660 WeakPolarHBondContact O-CD 3.5Å; E656-K660 WeakPolarHBondContact O-CG 3.19Å; E656-K660 PolarHBondContact O-N 2.88Å; E656-K660 IonicContact OE2-NZ 3.76Å; E656-K660 PolarHBondContact OE2-NZ 3.21Å; K657-K660 PolarHBondContact O-N 3.01Å; H658-K660 PolarHBondContact O-N 2.99Å; K660-W664 WeakPolarHBondContact O-CB 3.49Å; K660-W664 PolarHBondContact O-N 3Å
661K78.9Confident77Confident41 Ų4190.2 Ų90.218%0.17845%0.446CS..Hα-helixtrans-68.9-47.3174.8-156.3-173.7-170.2-166.30111.1K657 H658 W664 W665 K763 D764 E766K657-K661 PolarHBondContact O-N 3.43Å; H658-K661 CarbonylContact O-C 3.57Å; H658-K661 WeakPolarHBondContact O-CA 3.36Å; H658-K661 WeakPolarHBondContact O-CB 3.47Å; H658-K661 PolarHBondContact O-N 2.84Å; K661-W664 PolarHBondContact O-N 3.15Å; K661-W665 HydrophobicContact CD-CH2 3.89Å; K661-W665 HydrophobicContact CD-CZ2 3.59Å; K661-W665 HydrophobicContact CG-CD2 4.33Å; K661-W665 HydrophobicContact CG-CH2 4.37Å; K661-W665 HydrophobicContact CG-CZ2 3.89Å; K661-W665 VanDerWaalsContact O-CG 3.26Å; K661-W665 PolarHBondContact O-N 2.87Å; K661-K763 WeakPolarHBondContact CE-O 3.44Å; K661-K763 PolarHBondContact NZ-O 3.33Å; K661-D764 IonicContact NZ-OD1 3.63Å; K661-E766 IonicContact NZ-OE1 3.2Å; K661-E766 PolarHBondContact NZ-OE1 2.75Å
662T75Confident76.9Confident35 Ų3585.1 Ų85.122%0.21543%0.434CS..Hα-helixtrans-65.3-47.2179.258.80000112.3H658 R659 W664 W665 E666H658-T662 PolarHBondContact O-N 3.34Å; H658-T662 PolarHBondContact O-OG1 3.05Å; R659-T662 PolarHBondContact O-OG1 3.04Å; T662-W664 PolarHBondContact O-N 2.82Å; T662-W665 HydrophobicContact CG2-CE3 4.32Å; T662-W665 WeakPolarHBondContact O-CB 3.35Å; T662-W665 PolarHBondContact O-N 3.31Å; T662-E666 WeakPolarHBondContact O-CG 3.5Å; T662-E666 PolarHBondContact O-N 3.47Å
663A81.6Confident76.7Confident52 Ų5282.8 Ų82.843%0.4343%0.425SS..Hα-helixtrans-61.2-32.3176.400000112.7R659 S667R659-A663 WeakPolarHBondContact O-CB 3.18Å; R659-A663 PolarHBondContact O-N 2.81Å; A663-S667 WeakPolarHBondContact O-CB 3.25Å; A663-S667 PolarHBondContact O-N 2.86Å; A663-S667 VanDerWaalsContact O-N 3.09Å
664W80.1Confident76.8Confident105 Ų10579.9 Ų79.940%0.39841%0.414SS..Hα-helixtrans-69.4-44171.9173.152.1000112K660 K661 T662 S667 C668 M762K660-W664 WeakPolarHBondContact O-CB 3.49Å; K660-W664 PolarHBondContact O-N 3Å; K661-W664 PolarHBondContact O-N 3.15Å; T662-W664 PolarHBondContact O-N 2.82Å; W664-S667 PolarHBondContact O-N 2.78Å; W664-S667 PolarHBondContact O-OG 3.16Å; W664-C668 PolarHBondContact O-N 2.88Å; W664-C668 PolarHBondContact O-SG 3.11Å; W664-M762 HydrophobicContact CH2-CE 4.25Å; W664-M762 HydrophobicContact CH2-SD 4.44Å; W664-M762 HydrophobicContact CZ2-CE 4.15Å; W664-M762 HydrophobicContact CZ2-SD 4.43Å; W664-M762 VanDerWaalsContact CZ3-O 3.28Å; W664-M762 WeakPolarHBondContact CZ3-O 3.41Å
665W81.9Confident76.8Confident21 Ų2178 Ų788%0.0841%0.406CS..Hα-helixtrans-60.3-45.5174.8-67.9-16.4000112.6K661 T662 S667 C668 G669 Y670 M762 D764K661-W665 HydrophobicContact CD-CH2 3.89Å; K661-W665 HydrophobicContact CD-CZ2 3.59Å; K661-W665 HydrophobicContact CG-CD2 4.33Å; K661-W665 HydrophobicContact CG-CH2 4.37Å; K661-W665 HydrophobicContact CG-CZ2 3.89Å; K661-W665 VanDerWaalsContact O-CG 3.26Å; K661-W665 PolarHBondContact O-N 2.87Å; T662-W665 HydrophobicContact CG2-CE3 4.32Å; T662-W665 WeakPolarHBondContact O-CB 3.35Å; T662-W665 PolarHBondContact O-N 3.31Å; W665-S667 VanDerWaalsContact C-N 3.35Å; W665-S667 PolarHBondContact O-N 2.88Å; W665-C668 CarbonylContact O-C 3.53Å; W665-C668 WeakPolarHBondContact O-CA 3.29Å; W665-C668 PolarHBondContact O-N 3.47Å; W665-G669 PolarHBondContact O-N 2.98Å; W665-G669 VanDerWaalsContact O-N 3.07Å; W665-Y670 HydrophobicContact CB-CD1 4.04Å; W665-Y670 AromaticContact CD1-CD1 3.8Å; W665-Y670 AromaticContact CD2-CD1 3.96Å; W665-Y670 HydrophobicContact CD2-CD1 3.96Å; W665-Y670 HydrophobicContact CD2-CE1 4.2Å; W665-Y670 AromaticContact CE2-CE1 3.99Å; W665-Y670 AromaticContact CG-CD1 3.68Å; W665-Y670 HydrophobicContact CG-CD1 3.68Å; W665-Y670 HydrophobicContact CG-CE1 4.37Å; W665-Y670 HydrophobicContact CZ2-CE1 4.33Å; W665-Y670 AromaticContact NE1-CD1 3.97Å; W665-Y670 PolarHBondContact O-N 3Å; W665-M762 PolarHBondContact NE1-O 3.48Å; W665-D764 WeakPolarHBondContact CH2-OD1 3.44Å; W665-D764 HydrophobicContact CZ2-CB 4.02Å; W665-D764 WeakPolarHBondContact CZ2-OD1 3.4Å
666E78.2Confident76.2Confident142 Ų14281.4 Ų81.466%0.66442%0.422SS*.Hα-helixtrans-56.7-46.1173.3-72.8167.1-163.800111.4T662 C668 G669T662-E666 WeakPolarHBondContact O-CG 3.5Å; T662-E666 PolarHBondContact O-N 3.47Å; E666-C668 PolarHBondContact O-N 3.01Å; E666-C668 VanDerWaalsContact O-N 3.12Å; E666-G669 PolarHBondContact O-N 3.09Å
667S78.8Confident74.9Confident92 Ų9282.9 Ų82.964%0.64343%0.432SS*.Hα-helixtrans-63-17.8176.477.60000114.2A663 W664 W665A663-S667 WeakPolarHBondContact O-CB 3.25Å; A663-S667 PolarHBondContact O-N 2.86Å; A663-S667 VanDerWaalsContact O-N 3.09Å; W664-S667 PolarHBondContact O-N 2.78Å; W664-S667 PolarHBondContact O-OG 3.16Å; W665-S667 VanDerWaalsContact C-N 3.35Å; W665-S667 PolarHBondContact O-N 2.88Å
668C74.3Confident73.3Confident68 Ų6881.8 Ų81.846%0.45943%0.434SS..THydrogen-bonded Turntrans-103.82.6176.1-62.40000113.3W664 W665 E666 Y670 M762W664-C668 PolarHBondContact O-N 2.88Å; W664-C668 PolarHBondContact O-SG 3.11Å; W665-C668 CarbonylContact O-C 3.53Å; W665-C668 WeakPolarHBondContact O-CA 3.29Å; W665-C668 PolarHBondContact O-N 3.47Å; E666-C668 PolarHBondContact O-N 3.01Å; E666-C668 VanDerWaalsContact O-N 3.12Å; C668-Y670 VanDerWaalsContact C-N 3.31Å; C668-Y670 PolarHBondContact O-N 3.14Å; C668-M762 HydrophobicContact CB-CE 3.41Å; C668-M762 VanDerWaalsContact CB-CE 3.41Å; C668-M762 HydrophobicContact CB-SD 4.39Å
669G71.4Confident71.7Confident74 Ų7484.3 Ų84.376%0.76345%0.451SS*.THydrogen-bonded Turntrans67.724.7-176.800000114.7W665 E666W665-G669 PolarHBondContact O-N 2.98Å; W665-G669 VanDerWaalsContact O-N 3.07Å; E666-G669 PolarHBondContact O-N 3.09Å
670Y76.3Confident69.6Low22 Ų2279.6 Ų79.69%0.08644%0.44CS..  trans-101.6138.7-179.3178.7-120.7000111.8W665 C668 L758 M762 D764W665-Y670 HydrophobicContact CB-CD1 4.04Å; W665-Y670 AromaticContact CD1-CD1 3.8Å; W665-Y670 AromaticContact CD2-CD1 3.96Å; W665-Y670 HydrophobicContact CD2-CD1 3.96Å; W665-Y670 HydrophobicContact CD2-CE1 4.2Å; W665-Y670 AromaticContact CE2-CE1 3.99Å; W665-Y670 AromaticContact CG-CD1 3.68Å; W665-Y670 HydrophobicContact CG-CD1 3.68Å; W665-Y670 HydrophobicContact CG-CE1 4.37Å; W665-Y670 HydrophobicContact CZ2-CE1 4.33Å; W665-Y670 AromaticContact NE1-CD1 3.97Å; W665-Y670 PolarHBondContact O-N 3Å; C668-Y670 VanDerWaalsContact C-N 3.31Å; C668-Y670 PolarHBondContact O-N 3.14Å; Y670-L758 HydrophobicContact CD2-CD2 3.19Å; Y670-L758 HydrophobicContact CE2-CD2 3.39Å; Y670-L758 HydrophobicContact CG-CD2 4.02Å; Y670-M762 HydrophobicContact CD1-CB 3.66Å; Y670-M762 HydrophobicContact CD1-CE 4.19Å; Y670-M762 HydrophobicContact CD1-CG 3.76Å; Y670-M762 HydrophobicContact CD2-CG 4.25Å; Y670-M762 HydrophobicContact CE1-CB 3.66Å; Y670-M762 HydrophobicContact CE1-CG 4.14Å; Y670-M762 HydrophobicContact CG-CB 4.25Å; Y670-M762 HydrophobicContact CG-CE 4.28Å; Y670-M762 HydrophobicContact CG-CG 3.82Å; Y670-D764 HydrophobicContact CE1-CB 4.28Å; Y670-D764 PolarHBondContact OH-OD2 2.77Å
671Q71.1Confident67.4Low170 Ų17082.1 Ų82.179%0.79445%0.454SS*.  trans-118.3132.9166.3-69.2179.8-25.700108
672S73.1Confident65.5Low45 Ų4587.3 Ų87.332%0.31548%0.479SS..  trans-67.3143.5175.8-176.70000110.7C674 D764S672-C674 WeakPolarHBondContact OG-CB 3.42Å; S672-C674 PolarHBondContact OG-N 3.45Å; S672-D764 VanDerWaalsContact CB-OD2 3.24Å; S672-D764 WeakPolarHBondContact CB-OD2 3.43Å; S672-D764 PolarHBondContact OG-OD2 3.04Å
673L69.6Low63.9Low68 Ų6889.8 Ų89.836%0.35649%0.488SS..  trans-11217.3174.2-68.7162.2000111.1L771 L772 F773L673-L771 HydrophobicContact CB-CD2 4.16Å; L673-L771 WeakPolarHBondContact O-CA 3.16Å; L673-L772 PolarHBondContact O-N 3.49Å; L673-L772 VanDerWaalsContact O-N 3.14Å; L673-F773 HydrophobicContact CB-CD1 4.45Å; L673-F773 HydrophobicContact CB-CE1 3.97Å; L673-F773 HydrophobicContact CD1-CD1 3.96Å; L673-F773 HydrophobicContact CD1-CE1 3.69Å; L673-F773 HydrophobicContact CG-CE1 4.45Å
674C77.1Confident61.9Low23 Ų2394.7 Ų94.716%0.15550%0.502CS..BIsolated β-bridgetrans-75.7134.7173.3-70.10000110.8S672 Q676 V770 L771S672-C674 WeakPolarHBondContact OG-CB 3.42Å; S672-C674 PolarHBondContact OG-N 3.45Å; C674-Q676 PolarHBondContact O-N 2.84Å; C674-V770 CarbonylContact C-O 3.57Å; C674-V770 VanDerWaalsContact CA-O 3.31Å; C674-V770 WeakPolarHBondContact CA-O 3.34Å; C674-L771 WeakPolarHBondContact SG-CD2 3.39Å
675L74.8Confident59.8Low41 Ų4197 Ų9722%0.21552%0.517CS..  trans-64.4115.1168.8-67.6175.4000109.5V770 L772 K816 A820L675-V770 HydrophobicContact CD1-CB 4.2Å; L675-V770 HydrophobicContact CD1-CG1 4.04Å; L675-V770 PolarHBondContact N-O 3.11Å; L675-L772 HydrophobicContact CD1-CB 4.36Å; L675-L772 HydrophobicContact CD1-CD2 4.47Å; L675-L772 HydrophobicContact CD2-CB 4.2Å; L675-L772 HydrophobicContact CD2-CD2 3.98Å; L675-L772 HydrophobicContact CG-CB 4.16Å; L675-K816 HydrophobicContact CB-CB 4.24Å; L675-K816 HydrophobicContact CD1-CB 4.37Å; L675-A820 HydrophobicContact CD1-CB 3.83Å; L675-A820 HydrophobicContact CD2-CB 4.29Å
676Q62.1Low57.8Low159 Ų159100.7 Ų100.774%0.74354%0.538SS*.  trans-70.4145.6168.5-66.8-177.1-39.400109.4C674C674-Q676 PolarHBondContact O-N 2.84Å
677L51.4Low56.1Low107 Ų10799.5 Ų99.556%0.5653%0.533SS*.  trans-65.3135.8159.1-73.4159.7000107.1D679 K816L677-D679 PolarHBondContact O-N 3.47Å; L677-K816 HydrophobicContact CD2-CG 4.18Å; L677-K816 HydrophobicContact CG-CG 4.5Å
678V44.6Very low54.2Low91 Ų91102.9 Ų102.955%0.55254%0.538SS*.  trans-98.289174.8-171.80000105.6S680V678-S680 PolarHBondContact O-N 2.84Å; V678-S680 PolarHBondContact O-OG 2.96Å
679D41.4Very low52.4Low150 Ų150106.6 Ų106.680%0.80255%0.554SS**  trans-72.462.5173.8-53.5-17.8000108.7L677L677-D679 PolarHBondContact O-N 3.47Å
680S37.4Very low51.2Low43 Ų43109.3 Ų109.330%0.30155%0.546SS..  trans-93.1128.9172.644.50000109V678 E682 E683V678-S680 PolarHBondContact O-N 2.84Å; V678-S680 PolarHBondContact O-OG 2.96Å; S680-E682 PolarHBondContact O-N 3Å; S680-E683 PolarHBondContact O-N 3.17Å
681E37.3Very low49.6Very low176 Ų176116.2 Ų116.282%0.82258%0.579SS**THydrogen-bonded Turntrans-56.4-14.3-174.7-60.7166.7151.100113.3E684E681-E684 PolarHBondContact O-N 3.17Å
682E37.9Very low48Very low150 Ų150116.3 Ų116.370%0.70158%0.58SS**Hα-helixtrans-65-29.6171.5-59.3176.4173.500114.1S680 D686S680-E682 PolarHBondContact O-N 3Å; E682-D686 PolarHBondContact O-N 3.32Å
683E42.7Very low46.2Very low87 Ų87120.7 Ų120.741%0.40760%0.6SS.*Hα-helixtrans-79.8-14.9177.4-72.9-163.8170.300113.1S680 E687S680-E683 PolarHBondContact O-N 3.17Å; E683-E687 PolarHBondContact O-N 3.28Å
684E38.5Very low44.6Very low154 Ų154124.2 Ų124.272%0.7262%0.619SS**Hα-helixtrans-80.3-33.4172.8-69.9-168.8162.800112E681 E688E681-E684 PolarHBondContact O-N 3.17Å; E684-E688 PolarHBondContact O-N 3.37Å
685E37.1Very low42.7Very low154 Ų154128.2 Ų128.272%0.7265%0.647SS**Hα-helixtrans-70.3-40.6172.4-64.6-171.7155.100111.4E687 E688 D689E685-E687 VanDerWaalsContact C-N 3.34Å; E685-E687 PolarHBondContact O-N 2.93Å; E685-E688 PolarHBondContact O-N 3.26Å; E685-D689 PolarHBondContact O-N 3.39Å
686D39.2Very low40.8Very low98 Ų98130.7 Ų130.752%0.52467%0.668SS.*Hα-helixtrans-62.2-33174.2-98.910.8000112.7E682 K822E682-D686 PolarHBondContact O-N 3.32Å; D686-K822 IonicContact OD2-NZ 3.61Å
687E43.2Very low39.3Very low117 Ų117129.5 Ų129.555%0.54767%0.671SS.*Hα-helixtrans-86.8-21.7178.5-69.6-155.7153.200114.3E683 E685 R856E683-E687 PolarHBondContact O-N 3.28Å; E685-E687 VanDerWaalsContact C-N 3.34Å; E685-E687 PolarHBondContact O-N 2.93Å; E687-R856 IonicContact OE1-NH2 3.71Å; E687-R856 PolarHBondContact OE1-NH2 3.12Å; E687-R856 VanDerWaalsContact OE1-NH2 3.11Å
688E37.9Very low38.3Very low164 Ų164130.7 Ų130.777%0.76669%0.687SS**Hα-helixtrans-77.8-37.4171.3-74.1-160.7160.900113E684 E685E684-E688 PolarHBondContact O-N 3.37Å; E685-E688 PolarHBondContact O-N 3.26Å
689D37.3Very low37.7Very low145 Ų145130.3 Ų130.378%0.77569%0.688SS**Hα-helixtrans-75-26.9-177.7-94.9-8.6000113.9E685E685-D689 PolarHBondContact O-N 3.39Å
690E46Very low37.2Very low131 Ų131129.1 Ų129.161%0.61269%0.687SS**Hα-helixtrans-83.1-11.3-179.7-80.1-161.2174.600115.3N694E690-N694 PolarHBondContact O-ND2 3.11Å; E690-N694 VanDerWaalsContact O-ND2 3.16Å
691E41.8Very low37.4Very low167 Ų167134.4 Ų134.478%0.7871%0.712SS**Hα-helixtrans-77.2-28.4179-75.5-144.7150.900114
692E38.9Very low37.2Very low173 Ų173131.4 Ų131.481%0.80871%0.71SS**Hα-helixtrans-70.8-38.7-178.7-69.4-145.3139.200113.3S695E692-S695 PolarHBondContact O-OG 3.1Å; E692-S695 VanDerWaalsContact O-OG 3.14Å
693D33.8Very low37.6Very low137 Ų137131.2 Ų131.273%0.73372%0.72SS**Hα-helixtrans-82.1-15.7-169.8-129.37.6000113.7S695 S696D693-S695 PolarHBondContact O-N 3.07Å; D693-S696 PolarHBondContact O-N 3.24Å
694N36.1Very low37.7Very low142 Ų142131 Ų13176%0.75973%0.728SS**THydrogen-bonded Turntrans-65.6-1.4175.9-97.4-74.4000114.5E690E690-N694 PolarHBondContact O-ND2 3.11Å; E690-N694 VanDerWaalsContact O-ND2 3.16Å
695S36.9Very low38.4Very low107 Ų107125.3 Ų125.375%0.74870%0.703SS**THydrogen-bonded Turntrans-81.9-8.2177.5660000114.9E692 D693E692-S695 PolarHBondContact O-OG 3.1Å; E692-S695 VanDerWaalsContact O-OG 3.14Å; D693-S695 PolarHBondContact O-N 3.07Å
696S36.5Very low39.5Very low93 Ų93123 Ų12365%0.6570%0.696SS**  trans-149.9101-174171.50000115.6D693D693-S696 PolarHBondContact O-N 3.24Å
697V29.9Very low41.3Very low133 Ų133118.9 Ų118.981%0.80667%0.674SS**  trans-157.6137.8133.5135.90000110.4
698C29.8Very low42.8Very low133 Ų133120 Ų12090%0.89967%0.673SS**  trans-149.264.9164.5-177.80000110.4
699S32.7Very low44.7Very low82 Ų82116.7 Ų116.757%0.57365%0.654SS**SBendtrans-172.8149.1165-178.60000111.6
700T31.1Very low46.3Very low125 Ų125111.3 Ų111.377%0.76763%0.626SS**  trans66.5136.1154.1320000120
701D41.1Very low47.2Very low154 Ų154111.5 Ų111.582%0.82463%0.631SS**  trans-55.6140.4-169-55.2-81.3000116.9
702S32.9Very low48.3Very low113 Ų113104.8 Ų104.879%0.7961%0.606SS**  trans-145.5141.6157-71.60000108.3
703T46.4Very low49.8Very low147 Ų14799.5 Ų99.590%0.90258%0.584SS**  trans-111.359.4-159.739.20000115.2
704S43.9Very low51.7Low83 Ų8393.5 Ų93.558%0.5855%0.552SS**  trans-153.2146.3172.959.20000110.4D857S704-D857 WeakPolarHBondContact CB-OD1 3.45Å
705T52.9Low53.3Low33 Ų3386.9 Ų86.920%0.20252%0.517CS..  cis-137.898.9-17.4-64.20000109.5D857T705-D857 VanDerWaalsContact CB-OD1 3.31Å; T705-D857 WeakPolarHBondContact CB-OD1 3.07Å; T705-D857 PolarHBondContact OG1-OD1 3.49Å
706D61.6Low54.9Low106 Ų10686.6 Ų86.657%0.56750%0.503SS*.  trans-80.8149.9-174.7-142.9-10.9000113.4R708 R850D706-R708 WeakPolarHBondContact O-CG 3.33Å; D706-R708 PolarHBondContact O-N 2.92Å; D706-R850 IonicContact OD1-CZ 2.66Å; D706-R850 IonicContact OD1-NH1 2.68Å; D706-R850 PolarHBondContact OD1-NH1 3.44Å; D706-R850 IonicContact OD1-NH2 3.32Å; D706-R850 PolarHBondContact OD1-NH2 3.43Å
707I76Confident56.5Low12 Ų1282.6 Ų82.66%0.06248%0.475CS..  trans-62.2121.9-178.2-63.5175.6000110.3Y709 E846 I849 R850 A854 I862I707-Y709 HydrophobicContact CG2-CE2 4.32Å; I707-E846 HydrophobicContact CD1-CG 4.43Å; I707-I849 HydrophobicContact CD1-CG2 4.1Å; I707-R850 HydrophobicContact CD1-CB 4.03Å; I707-A854 HydrophobicContact CD1-CB 4.29Å; I707-A854 HydrophobicContact CG1-CB 3.61Å; I707-I862 HydrophobicContact CG2-CD1 3.56Å; I707-I862 HydrophobicContact CG2-CG1 3.79Å
708R74.8Confident57.9Low141 Ų14182.3 Ų82.353%0.53247%0.465SS..EExtended strand (participates in β ladder)trans-91.3114.5-174.5-60.7-175.9-176.6-177.12.6111.4D706 T860 F861 I862D706-R708 WeakPolarHBondContact O-CG 3.33Å; D706-R708 PolarHBondContact O-N 2.92Å; R708-T860 PolarHBondContact N-O 2.73Å; R708-F861 HydrophobicContact CB-CD1 3.68Å; R708-F861 HydrophobicContact CB-CE1 3.97Å; R708-F861 HydrophobicContact CB-CG 4.4Å; R708-F861 HydrophobicContact CG-CE1 4.36Å; R708-F861 CarbonylContact O-C 3.51Å; R708-F861 VanDerWaalsContact O-CA 3.28Å; R708-F861 WeakPolarHBondContact O-CA 3.44Å; R708-I862 PolarHBondContact O-N 3.31Å
709Y78.9Confident59.2Low94 Ų9477.1 Ų77.137%0.36943%0.429SS..EExtended strand (participates in β ladder)trans-89.1125.4177.5-74.6-67.9000111.7I707 E846 I862 Y864I707-Y709 HydrophobicContact CG2-CE2 4.32Å; Y709-E846 PolarHBondContact OH-OE1 2.95Å; Y709-E846 PolarHBondContact OH-OE2 3.37Å; Y709-I862 WeakPolarHBondContact CA-O 3.11Å; Y709-I862 HydrophobicContact CD1-CB 3.72Å; Y709-I862 HydrophobicContact CD1-CG2 4Å; Y709-I862 HydrophobicContact CE1-CB 3.67Å; Y709-I862 HydrophobicContact CE1-CD1 3.96Å; Y709-I862 HydrophobicContact CE1-CG1 4.33Å; Y709-I862 HydrophobicContact CE1-CG2 3.75Å; Y709-Y864 HydrophobicContact CD1-CD2 4.3Å; Y709-Y864 AromaticContact CD1-CE2 3.34Å; Y709-Y864 HydrophobicContact CD1-CE2 3.34Å; Y709-Y864 AromaticContact CD1-CZ 3.93Å; Y709-Y864 HydrophobicContact CE1-CE2 4.01Å; Y709-Y864 AromaticContact CG-CE2 3.97Å; Y709-Y864 HydrophobicContact CG-CE2 3.97Å
710V71.3Confident60.1Low31 Ų3177.9 Ų77.919%0.18844%0.44CS..EExtended strand (participates in β ladder)trans-124.7148.3-172.1-174.20000110.6F861 I862 Y863 Y864V710-F861 HydrophobicContact CG2-CB 4.5Å; V710-F861 HydrophobicContact CG2-CD1 3.88Å; V710-I862 PolarHBondContact N-O 2.82Å; V710-Y863 HydrophobicContact CB-CD1 4.28Å; V710-Y863 HydrophobicContact CB-CE1 4.25Å; V710-Y863 HydrophobicContact CB-CG 4.47Å; V710-Y863 HydrophobicContact CG1-CD1 4.2Å; V710-Y863 HydrophobicContact CG1-CE1 3.91Å; V710-Y863 CarbonylContact O-C 3.59Å; V710-Y863 WeakPolarHBondContact O-CA 3.29Å; V710-Y864 PolarHBondContact O-N 2.78Å
711L63.2Low61.3Low136 Ų13682 Ų8271%0.71244%0.442SS*.EExtended strand (participates in β ladder)trans-105.4117.6171-78.8157.4000108.8Y864L711-Y864 WeakPolarHBondContact CA-O 3.38Å
712G66.4Low62.6Low25 Ų2576.4 Ų76.426%0.25842%0.42SS..SBendtrans163.1-169.1-174.700000113.8Y864G712-Y864 PolarHBondContact N-O 3.05Å
713D69.3Low64.7Low63 Ų6373.1 Ų73.134%0.33739%0.393SS..  trans-97.3130.2173.5-163.5-42.9000110.4T715 H716D713-T715 PolarHBondContact O-N 3.4Å; D713-T715 WeakPolarHBondContact OD1-CB 3.38Å; D713-T715 WeakPolarHBondContact OD1-CG2 3.5Å; D713-T715 PolarHBondContact OD1-N 3.24Å; D713-T715 PolarHBondContact OD1-OG1 3.24Å; D713-H716 PolarHBondContact O-N 3.12Å
714V73.8Confident66.4Low10 Ų1066.1 Ų66.16%0.06135%0.35CS..THydrogen-bonded Turntrans-65.6-24.1-178.9-152.80000112.1H716 I726 L741 H829 P831 Y863V714-H716 PolarHBondContact O-N 3.02Å; V714-I726 HydrophobicContact CG1-CG2 4.25Å; V714-L741 HydrophobicContact CB-CD1 4.41Å; V714-H829 HydrophobicContact CG1-CB 4.33Å; V714-P831 HydrophobicContact CG2-CB 3.89Å; V714-Y863 HydrophobicContact CB-CG 4.36Å; V714-Y863 HydrophobicContact CG1-CD2 4.01Å; V714-Y863 HydrophobicContact CG1-CG 4.26Å; V714-Y863 HydrophobicContact CG2-CG 4.08Å
715T69.1Low68.4Low4 Ų462.2 Ų62.23%0.02532%0.323CS..THydrogen-bonded Turntrans-69.2-5.8179.457.20000113.8D713 L741 A744 L745 R748D713-T715 PolarHBondContact O-N 3.4Å; D713-T715 WeakPolarHBondContact OD1-CB 3.38Å; D713-T715 WeakPolarHBondContact OD1-CG2 3.5Å; D713-T715 PolarHBondContact OD1-N 3.24Å; D713-T715 PolarHBondContact OD1-OG1 3.24Å; T715-L741 HydrophobicContact CG2-CD1 3.67Å; T715-A744 HydrophobicContact CG2-CB 3.74Å; T715-L745 HydrophobicContact CG2-CD2 3.99Å; T715-L745 HydrophobicContact CG2-CG 4.27Å; T715-R748 WeakPolarHBondContact O-CD 3.28Å; T715-R748 PolarHBondContact O-NH1 3.1Å
716H71.6Confident69.9Low101 Ų10160.6 Ų60.647%0.46831%0.313SS..SBendtrans-134.784.8179.4-63.781.4000109.6D713 V714 H718D713-H716 PolarHBondContact O-N 3.12Å; V714-H716 PolarHBondContact O-N 3.02Å; H716-H718 PolarHBondContact O-N 2.81Å
717P69.1Low71.1Confident9 Ų955.6 Ų55.66%0.05829%0.286CS..  trans-67.5125-171.324.1-32.7000113T719 A724 R781 H829P717-T719 PolarHBondContact O-N 3.44Å; P717-A724 HydrophobicContact CB-CB 4.01Å; P717-A724 HydrophobicContact CG-CB 3.78Å; P717-R781 PolarHBondContact O-NH1 3.08Å; P717-H829 VanDerWaalsContact CB-CE1 3.46Å; P717-H829 WeakPolarHBondContact CB-CE1 2.9Å; P717-H829 WeakPolarHBondContact CB-ND1 3.39Å
718H59.9Low71.6Confident127 Ų12756.4 Ų56.459%0.58829%0.29SS*.  trans-77.660.8179.3-70.9-69.5000113.2H716 Y863H716-H718 PolarHBondContact O-N 2.81Å; H718-Y863 PolarHBondContact N-OH 2.88Å
719T57.8Low72Confident24 Ų2450.1 Ų50.115%0.14727%0.268CS..  trans-121128.6173.344.20000110.9P717 R781 H829 F861P717-T719 PolarHBondContact O-N 3.44Å; T719-R781 PolarHBondContact O-NH1 3.3Å; T719-R781 PolarHBondContact O-NH2 2.92Å; T719-R781 PolarHBondContact OG1-NH1 2.9Å; T719-H829 WeakPolarHBondContact CG2-NE2 3.28Å; T719-F861 HydrophobicContact CG2-CE2 3.81Å; T719-F861 HydrophobicContact CG2-CZ 3.93Å
720A51.8Low72.2Confident97 Ų9745.8 Ų45.880%0.80225%0.251SS*.SBendtrans-78.3-24.9-172.600000114.1
721R56Low72.8Confident213 Ų21344.9 Ų44.980%0.80425%0.245SC*.SBendtrans-150.2149.1175.8-67.2-173.5174158.10.6109.3
722G66.9Low73.7Confident36 Ų3640.7 Ų40.737%0.37122%0.223SC..SBendtrans100.2159.4-179.800000114.2R781G722-R781 PolarHBondContact O-NH2 2.87Å
723D78.8Confident74.3Confident43 Ų4341 Ų4123%0.2322%0.221CC..  trans-76.3154.5177.9-76.811.2000111.1G784 R785 A826 S827D723-G784 WeakPolarHBondContact OD1-CA 3.46Å; D723-R785 VanDerWaalsContact CA-O 3.31Å; D723-R785 WeakPolarHBondContact CA-O 3.26Å; D723-R785 WeakPolarHBondContact CB-O 3.36Å; D723-R785 PolarHBondContact OD1-N 2.91Å; D723-A826 HydrophobicContact CB-CB 4.09Å; D723-A826 CarbonylContact O-C 3.59Å; D723-A826 WeakPolarHBondContact O-CA 3.36Å; D723-S827 PolarHBondContact O-N 2.73Å; D723-S827 PolarHBondContact O-OG 2.85Å
724A81.8Confident74.6Confident0 Ų038.4 Ų38.40%021%0.21CC..EExtended strand (participates in β ladder)trans-133.1128.5-174.100000112.7P717 R785 D786 Q787 S827P717-A724 HydrophobicContact CB-CB 4.01Å; P717-A724 HydrophobicContact CG-CB 3.78Å; A724-R785 PolarHBondContact N-O 3.31Å; A724-D786 CarbonylContact O-C 3.57Å; A724-D786 WeakPolarHBondContact O-CA 3.35Å; A724-Q787 PolarHBondContact O-N 3.45Å; A724-S827 CarbonylContact C-O 3.57Å; A724-S827 WeakPolarHBondContact CA-O 3.26Å
725I85.6Confident74.9Confident1 Ų144.4 Ų44.41%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-102.3108.3175-61.3169.4000108.9V727 L772 Q787 A789 A821 A826 S827 H829I725-V727 HydrophobicContact CG2-CG2 4.06Å; I725-L772 HydrophobicContact CG2-CD1 4.41Å; I725-Q787 CarbonylContact C-O 3.53Å; I725-Q787 WeakPolarHBondContact CA-O 3.32Å; I725-Q787 HydrophobicContact CG1-CB 4.27Å; I725-A789 HydrophobicContact CG2-CB 3.68Å; I725-A821 HydrophobicContact CD1-CB 3.95Å; I725-A826 HydrophobicContact CD1-CB 3.86Å; I725-A826 HydrophobicContact CG1-CB 3.94Å; I725-S827 PolarHBondContact N-O 2.89Å; I725-H829 PolarHBondContact O-N 3.44Å
726I85.4Confident75.4Confident0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-82.1123.7171.9-61.8171.5000108.1V714 I775 Q787 L788 A789 H829V714-I726 HydrophobicContact CG1-CG2 4.25Å; I726-I775 HydrophobicContact CD1-CD1 4.05Å; I726-Q787 PolarHBondContact N-O 3.02Å; I726-L788 HydrophobicContact CB-CD1 4.16Å; I726-L788 HydrophobicContact CG2-CD1 3.88Å; I726-L788 WeakPolarHBondContact O-CA 3.44Å; I726-A789 PolarHBondContact O-N 3.2Å; I726-H829 WeakPolarHBondContact CA-O 3.4Å; I726-H829 HydrophobicContact CG1-CB 4.41Å
727V86.4Confident75.5Confident0 Ų041.7 Ų41.70%022%0.223CC..EExtended strand (participates in β ladder)trans-108.6132-174.8-178.70000111.2I725 A789 I791 I817 V828 H829 L830 P831I725-V727 HydrophobicContact CG2-CG2 4.06Å; V727-A789 WeakPolarHBondContact CA-O 3.5Å; V727-A789 HydrophobicContact CG2-CB 4.26Å; V727-I791 HydrophobicContact CG1-CD1 3.67Å; V727-I791 HydrophobicContact CG1-CG1 4.07Å; V727-I817 HydrophobicContact CG1-CD1 3.78Å; V727-I817 HydrophobicContact CG2-CD1 4Å; V727-I817 HydrophobicContact CG2-CG2 4.4Å; V727-V828 HydrophobicContact CG2-CG1 3.69Å; V727-H829 PolarHBondContact N-O 2.82Å; V727-L830 HydrophobicContact CB-CD2 3.64Å; V727-L830 HydrophobicContact CB-CG 4.11Å; V727-L830 HydrophobicContact CG1-CD2 3.72Å; V727-L830 HydrophobicContact CG2-CD2 4.39Å; V727-P831 WeakPolarHBondContact O-CD 3.46Å
728H84.9Confident75.4Confident30 Ų3052.9 Ų52.914%0.13927%0.265CS..EExtended strand (participates in β ladder)trans-138.5148.5173.4-166.650000113L741 F742 A789 L790 I791H728-L741 HydrophobicContact CB-CD2 4.24Å; H728-F742 AromaticContact CD2-CE1 3.95Å; H728-F742 AromaticContact CD2-CZ 3.81Å; H728-F742 AromaticContact NE2-CE1 3.88Å; H728-F742 AromaticContact NE2-CE2 3.53Å; H728-F742 AromaticContact NE2-CZ 3.32Å; H728-F742 VanDerWaalsContact NE2-CZ 3.32Å; H728-F742 WeakPolarHBondContact NE2-CZ 3.39Å; H728-A789 PolarHBondContact N-O 3.12Å; H728-L790 HydrophobicContact CB-CD2 3.86Å; H728-L790 WeakPolarHBondContact O-CA 3.42Å; H728-I791 PolarHBondContact O-N 3.14Å
729C84.1Confident75.7Confident9 Ų948.8 Ų48.86%0.06126%0.257CS..EExtended strand (participates in β ladder)trans-98.1132.9177.7-53.70000110.4I791 A793C729-I791 WeakPolarHBondContact CA-O 3.41Å; C729-A793 HydrophobicContact CB-CB 4.5Å
730V83.1Confident76.5Confident3 Ų350.8 Ų50.82%0.01828%0.282CS..EExtended strand (participates in β ladder)trans-132.5172.1-178.3-90.40000111.9F742 Y756 L790 I791 A793 Q794V730-F742 HydrophobicContact CG1-CE1 3.61Å; V730-F742 HydrophobicContact CG1-CZ 3.75Å; V730-Y756 HydrophobicContact CB-CE2 3.93Å; V730-Y756 HydrophobicContact CG1-CE2 4.3Å; V730-Y756 HydrophobicContact CG2-CE2 3.9Å; V730-L790 HydrophobicContact CG2-CB 3.79Å; V730-L790 HydrophobicContact CG2-CD1 4.45Å; V730-L790 HydrophobicContact CG2-CG 4.49Å; V730-I791 WeakPolarHBondContact CG2-O 3.39Å; V730-I791 PolarHBondContact N-O 3.08Å; V730-A793 PolarHBondContact O-N 3.32Å; V730-A793 VanDerWaalsContact O-N 3.13Å; V730-Q794 PolarHBondContact O-N 3.02Å
731D83.6Confident77.5Confident12 Ų1247.6 Ų47.66%0.06425%0.251CS..EExtended strand (participates in β ladder)trans-98.6172.7178.470.739000114S733 Y756 Q794 R796 L802D731-S733 VanDerWaalsContact C-N 3.25Å; D731-S733 PolarHBondContact O-N 2.94Å; D731-S733 WeakPolarHBondContact OD1-CA 3.49Å; D731-S733 WeakPolarHBondContact OD1-CB 3.37Å; D731-S733 PolarHBondContact OD1-N 2.68Å; D731-S733 PolarHBondContact OD1-OG 2.84Å; D731-S733 PolarHBondContact OD2-OG 2.77Å; D731-Y756 PolarHBondContact O-OH 2.93Å; D731-Y756 PolarHBondContact OD1-OH 3.06Å; D731-Q794 VanDerWaalsContact CA-O 3.31Å; D731-Q794 WeakPolarHBondContact CA-O 3.3Å; D731-Q794 HydrophobicContact CB-CB 3.97Å; D731-R796 IonicContact OD1-NE 3.36Å; D731-R796 IonicContact OD2-CZ 2.66Å; D731-R796 IonicContact OD2-NE 3.72Å; D731-R796 PolarHBondContact OD2-NE 3.06Å; D731-R796 IonicContact OD2-NH2 3.13Å; D731-R796 PolarHBondContact OD2-NH2 3.07Å; D731-L802 HydrophobicContact CB-CD1 3.81Å; D731-L802 WeakPolarHBondContact OD2-CD1 3.39Å
732D81.7Confident78.6Confident48 Ų4839.4 Ų39.426%0.25722%0.221SC..THydrogen-bonded Turntrans-79.44.6177.866-21.6000114.3V792 Q794 K795 R796D732-V792 HydrophobicContact CB-CG1 4.37Å; D732-Q794 PolarHBondContact N-O 2.88Å; D732-K795 WeakPolarHBondContact OD1-CA 3.29Å; D732-R796 PolarHBondContact OD1-N 3.47Å
733S79Confident79.1Confident30 Ų3040.4 Ų40.421%0.2122%0.22CC..THydrogen-bonded Turntrans-91-7.5-166.584.20000115.9D731 R735 R796D731-S733 VanDerWaalsContact C-N 3.25Å; D731-S733 PolarHBondContact O-N 2.94Å; D731-S733 WeakPolarHBondContact OD1-CA 3.49Å; D731-S733 WeakPolarHBondContact OD1-CB 3.37Å; D731-S733 PolarHBondContact OD1-N 2.68Å; D731-S733 PolarHBondContact OD1-OG 2.84Å; D731-S733 PolarHBondContact OD2-OG 2.77Å; S733-R735 PolarHBondContact O-N 3.12Å; S733-R796 PolarHBondContact OG-NE 3.26Å; S733-R796 PolarHBondContact OG-NH2 2.97Å
734G75.4Confident78.9Confident10 Ų1039.7 Ų39.710%0.10322%0.22CC..  trans6421.9175.900000115.1
735R79.9Confident78.7Confident135 Ų13539.9 Ų39.951%0.50922%0.221SC..  trans-122.4117.1-179.4-70.2176.2-64.5-158.94.1110.1S733 N800S733-R735 PolarHBondContact O-N 3.12Å; R735-N800 PolarHBondContact NH2-OD1 3.05Å
736W80.4Confident78.3Confident26 Ų2642.4 Ų42.410%0.09823%0.233CC..  trans-59.3141.2-179.2-159.9-107000112.1F742 L745 P752 R753 Y756 L790W736-F742 HydrophobicContact CD2-CD1 4.01Å; W736-F742 AromaticContact CE2-CD1 3.78Å; W736-F742 HydrophobicContact CE3-CD1 4.42Å; W736-F742 HydrophobicContact CG-CD1 4.45Å; W736-F742 HydrophobicContact CH2-CD1 4.43Å; W736-F742 HydrophobicContact CZ2-CD1 4.02Å; W736-F742 PolarHBondContact NE1-O 3.18Å; W736-L745 HydrophobicContact CZ2-CB 4.38Å; W736-P752 HydrophobicContact CH2-CB 3.75Å; W736-P752 HydrophobicContact CZ2-CB 4.44Å; W736-P752 HydrophobicContact CZ3-CB 4.33Å; W736-R753 HydrophobicContact CB-CG 3.84Å; W736-R753 HydrophobicContact CD2-CB 3.84Å; W736-R753 HydrophobicContact CD2-CG 4.01Å; W736-R753 HydrophobicContact CE3-CB 4.18Å; W736-R753 HydrophobicContact CE3-CG 4.49Å; W736-R753 HydrophobicContact CG-CB 4.07Å; W736-R753 HydrophobicContact CG-CG 3.72Å; W736-Y756 AromaticContact CE3-CD1 3.74Å; W736-Y756 HydrophobicContact CE3-CD1 3.74Å; W736-Y756 HydrophobicContact CE3-CE1 4.5Å; W736-Y756 HydrophobicContact CE3-CG 4.09Å; W736-Y756 HydrophobicContact CZ3-CD1 4.3Å; W736-Y756 HydrophobicContact CZ3-CG 4.2Å; W736-L790 HydrophobicContact CH2-CD1 4.24Å; W736-L790 HydrophobicContact CZ3-CD1 3.86Å
737G73.2Confident77.8Confident22 Ų2247.7 Ų47.723%0.22727%0.265CS..  trans-69.7166.6179.300000113.1
738R68.1Low77.2Confident245 Ų24548.7 Ų48.793%0.92527%0.269SS*.  trans-123125.6172-71.1-175.7178.9-99.42.6110.4
739G64.9Low76.8Confident41 Ų4147.6 Ų47.642%0.42327%0.265SS..SBendtrans86.9159.8179.600000114T743G739-T743 WeakPolarHBondContact CA-OG1 3.1Å; G739-T743 PolarHBondContact N-OG1 3.13Å
740G75.3Confident76.5Confident65 Ų6550.7 Ų50.767%0.6728%0.281SS*.THydrogen-bonded Turntrans65.2-144.8-174.800000112.2F742 T743 A744G740-F742 VanDerWaalsContact C-N 3.25Å; G740-F742 PolarHBondContact O-N 2.65Å; G740-T743 PolarHBondContact O-N 2.77Å; G740-A744 PolarHBondContact O-N 2.87Å
741L73.2Confident76.3Confident30 Ų3054.1 Ų54.116%0.15730%0.296CS..Hα-helixtrans-58-34.6-173.7-166.467.9000113.1V714 T715 H728 T743 A744 L745 P831V714-L741 HydrophobicContact CB-CD1 4.41Å; T715-L741 HydrophobicContact CG2-CD1 3.67Å; H728-L741 HydrophobicContact CB-CD2 4.24Å; L741-T743 PolarHBondContact O-N 2.71Å; L741-A744 PolarHBondContact O-N 3.45Å; L741-L745 HydrophobicContact CD2-CD1 4.41Å; L741-L745 HydrophobicContact CG-CD1 3.98Å; L741-L745 HydrophobicContact CG-CG 4.25Å; L741-L745 WeakPolarHBondContact O-CB 3.31Å; L741-L745 WeakPolarHBondContact O-CG 3.48Å; L741-L745 PolarHBondContact O-N 3.42Å; L741-P831 HydrophobicContact CD2-CG 4.19Å
742F78.1Confident76.2Confident42 Ų4253.7 Ų53.718%0.18430%0.295CS..Hα-helixtrans-56.6-36.2175.3-69.3-73000113.5H728 V730 W736 G740 E746H728-F742 AromaticContact CD2-CE1 3.95Å; H728-F742 AromaticContact CD2-CZ 3.81Å; H728-F742 AromaticContact NE2-CE1 3.88Å; H728-F742 AromaticContact NE2-CE2 3.53Å; H728-F742 AromaticContact NE2-CZ 3.32Å; H728-F742 VanDerWaalsContact NE2-CZ 3.32Å; H728-F742 WeakPolarHBondContact NE2-CZ 3.39Å; V730-F742 HydrophobicContact CG1-CE1 3.61Å; V730-F742 HydrophobicContact CG1-CZ 3.75Å; W736-F742 HydrophobicContact CD2-CD1 4.01Å; W736-F742 AromaticContact CE2-CD1 3.78Å; W736-F742 HydrophobicContact CE3-CD1 4.42Å; W736-F742 HydrophobicContact CG-CD1 4.45Å; W736-F742 HydrophobicContact CH2-CD1 4.43Å; W736-F742 HydrophobicContact CZ2-CD1 4.02Å; W736-F742 PolarHBondContact NE1-O 3.18Å; G740-F742 VanDerWaalsContact C-N 3.25Å; G740-F742 PolarHBondContact O-N 2.65Å; F742-E746 VanDerWaalsContact O-CB 3.29Å; F742-E746 WeakPolarHBondContact O-CB 3.34Å; F742-E746 PolarHBondContact O-N 3.14Å
743T78.3Confident76.2Confident56 Ų5656 Ų5634%0.34430%0.299SS..Hα-helixtrans-86.2-29.4179-61.40000111.8G739 G740 L741 V747G739-T743 WeakPolarHBondContact CA-OG1 3.1Å; G739-T743 PolarHBondContact N-OG1 3.13Å; G740-T743 PolarHBondContact O-N 2.77Å; L741-T743 PolarHBondContact O-N 2.71Å; T743-V747 WeakPolarHBondContact O-CG2 3.38Å; T743-V747 PolarHBondContact O-N 3.43Å; T743-V747 VanDerWaalsContact O-N 3.17Å
744A74.6Confident76.3Confident28 Ų2860.3 Ų60.323%0.23132%0.315CS..Hα-helixtrans-67-41.3171.600000111.7T715 G740 L741 V747 R748T715-A744 HydrophobicContact CG2-CB 3.74Å; G740-A744 PolarHBondContact O-N 2.87Å; L741-A744 PolarHBondContact O-N 3.45Å; A744-V747 PolarHBondContact O-N 2.97Å; A744-R748 PolarHBondContact O-N 3.43Å
745L76.8Confident76.6Confident5 Ų563 Ų633%0.02632%0.324CS..Hα-helixtrans-66.7-41.5174.3-69.4169.7000112.2T715 W736 L741 V747 R748 S749 L788T715-L745 HydrophobicContact CG2-CD2 3.99Å; T715-L745 HydrophobicContact CG2-CG 4.27Å; W736-L745 HydrophobicContact CZ2-CB 4.38Å; L741-L745 HydrophobicContact CD2-CD1 4.41Å; L741-L745 HydrophobicContact CG-CD1 3.98Å; L741-L745 HydrophobicContact CG-CG 4.25Å; L741-L745 WeakPolarHBondContact O-CB 3.31Å; L741-L745 WeakPolarHBondContact O-CG 3.48Å; L741-L745 PolarHBondContact O-N 3.42Å; L745-V747 PolarHBondContact O-N 3.46Å; L745-R748 PolarHBondContact O-N 3.05Å; L745-R748 VanDerWaalsContact O-N 3.09Å; L745-S749 PolarHBondContact O-N 2.74Å; L745-L788 HydrophobicContact CD1-CD1 3.87Å; L745-L788 HydrophobicContact CD1-CD2 4.09Å; L745-L788 HydrophobicContact CD2-CD1 4.03Å; L745-L788 HydrophobicContact CD2-CD2 4.5Å
746E78.1Confident76.8Confident53 Ų5356.7 Ų56.725%0.24830%0.301CS..Hα-helixtrans-62.3-24175.1-172.3171.4-138.300112.6F742 R753F742-E746 VanDerWaalsContact O-CB 3.29Å; F742-E746 WeakPolarHBondContact O-CB 3.34Å; F742-E746 PolarHBondContact O-N 3.14Å; E746-R753 WeakPolarHBondContact OE1-CD 3.41Å; E746-R753 IonicContact OE1-CZ 3.62Å; E746-R753 IonicContact OE1-NE 3.72Å; E746-R753 IonicContact OE1-NH1 2.74Å; E746-R753 PolarHBondContact OE1-NH1 3.16Å
747V75.3Confident77.1Confident112 Ų11257.9 Ų57.968%0.67931%0.307SS*.Hα-helixtrans-77.7-34.7172.1168.20000112.6T743 A744 L745T743-V747 WeakPolarHBondContact O-CG2 3.38Å; T743-V747 PolarHBondContact O-N 3.43Å; T743-V747 VanDerWaalsContact O-N 3.17Å; A744-V747 PolarHBondContact O-N 2.97Å; L745-V747 PolarHBondContact O-N 3.46Å
748R73.4Confident77.5Confident20 Ų2060.3 Ų60.38%0.07532%0.315CS..Hα-helixtrans-68.7-58.6171.2-88.8-175.870.3177.31.3111.2T715 A744 L745 I775 D777 D786T715-R748 WeakPolarHBondContact O-CD 3.28Å; T715-R748 PolarHBondContact O-NH1 3.1Å; A744-R748 PolarHBondContact O-N 3.43Å; L745-R748 PolarHBondContact O-N 3.05Å; L745-R748 VanDerWaalsContact O-N 3.09Å; R748-I775 HydrophobicContact CB-CG2 4.44Å; R748-D777 IonicContact CZ-OD1 1.92Å; R748-D777 IonicContact CZ-OD2 2.8Å; R748-D777 IonicContact NE-OD1 2.71Å; R748-D777 PolarHBondContact NE-OD1 2.87Å; R748-D777 IonicContact NE-OD2 2.79Å; R748-D777 VanDerWaalsContact NH2-CG 3.27Å; R748-D777 IonicContact NH2-OD1 3.16Å; R748-D777 PolarHBondContact NH2-OD1 2.66Å; R748-D777 VanDerWaalsContact NH2-OD1 3.13Å; R748-D777 IonicContact NH2-OD2 3.19Å; R748-D777 PolarHBondContact NH2-OD2 2.91Å; R748-D786 IonicContact CZ-OD2 3Å; R748-D786 VanDerWaalsContact CZ-OD2 3.24Å; R748-D786 IonicContact NH1-OD2 2.73Å; R748-D786 PolarHBondContact NH1-OD2 2.94Å; R748-D786 VanDerWaalsContact NH2-CB 3.32Å; R748-D786 IonicContact NH2-OD2 3.22Å; R748-D786 PolarHBondContact NH2-OD2 3.41Å
749S77.2Confident78.1Confident7 Ų748.7 Ų48.75%0.04927%0.271CS..  trans-144.8138.9-176-176.10000113.4L745 E751L745-S749 PolarHBondContact O-N 2.74Å; S749-E751 VanDerWaalsContact C-N 3.26Å; S749-E751 PolarHBondContact O-N 2.71Å; S749-E751 PolarHBondContact OG-N 3.4Å
750D78.1Confident78.9Confident74 Ų7447.9 Ų47.940%0.39626%0.263SS..SBendtrans-77.8-8.8175.6-61.2-89.4000112.7K754 K778D750-K754 WeakPolarHBondContact O-CE 3.19Å; D750-K754 WeakPolarHBondContact O-CG 3.35Å; D750-K754 PolarHBondContact O-N 2.85Å; D750-K778 IonicContact OD2-NZ 3.65Å; D750-K778 PolarHBondContact OD2-NZ 2.76Å
751E77.6Confident79.2Confident75 Ų7551.5 Ų51.535%0.3526%0.26SS..Hα-helixtrans-78.5-46.1-169.1-57.3-163.7135.300115S749 R753 K754 H755S749-E751 VanDerWaalsContact C-N 3.26Å; S749-E751 PolarHBondContact O-N 2.71Å; S749-E751 PolarHBondContact OG-N 3.4Å; E751-R753 PolarHBondContact O-N 3.31Å; E751-R753 VanDerWaalsContact O-N 3.09Å; E751-K754 WeakPolarHBondContact O-CB 3.33Å; E751-K754 PolarHBondContact O-N 3.09Å; E751-H755 PolarHBondContact O-CD2 3.44Å; E751-H755 PolarHBondContact O-N 2.97Å
752P80.9Confident79.6Confident4 Ų451 Ų513%0.02626%0.257CS..Hα-helixtrans-52-37.9176.6-31.238.2000113.4W736 Y756 L788W736-P752 HydrophobicContact CH2-CB 3.75Å; W736-P752 HydrophobicContact CZ2-CB 4.44Å; W736-P752 HydrophobicContact CZ3-CB 4.33Å; P752-Y756 VanDerWaalsContact O-CB 3.25Å; P752-Y756 WeakPolarHBondContact O-CB 3.24Å; P752-Y756 PolarHBondContact O-N 3.16Å; P752-L788 HydrophobicContact CB-CD2 3.62Å; P752-L788 HydrophobicContact CG-CD2 3.76Å
753R82.5Confident79.5Confident95 Ų9556.5 Ų56.536%0.35828%0.281SS..Hα-helixtrans-64.8-46.5175.8176.3167.5174.8-140.1-23.6112.3W736 E746 E751 E757W736-R753 HydrophobicContact CB-CG 3.84Å; W736-R753 HydrophobicContact CD2-CB 3.84Å; W736-R753 HydrophobicContact CD2-CG 4.01Å; W736-R753 HydrophobicContact CE3-CB 4.18Å; W736-R753 HydrophobicContact CE3-CG 4.49Å; W736-R753 HydrophobicContact CG-CB 4.07Å; W736-R753 HydrophobicContact CG-CG 3.72Å; E746-R753 WeakPolarHBondContact OE1-CD 3.41Å; E746-R753 IonicContact OE1-CZ 3.62Å; E746-R753 IonicContact OE1-NE 3.72Å; E746-R753 IonicContact OE1-NH1 2.74Å; E746-R753 PolarHBondContact OE1-NH1 3.16Å; E751-R753 PolarHBondContact O-N 3.31Å; E751-R753 VanDerWaalsContact O-N 3.09Å; R753-E757 HydrophobicContact CG-CG 4.49Å; R753-E757 IonicContact CZ-OE1 3.33Å; R753-E757 IonicContact NE-OE1 2.8Å; R753-E757 PolarHBondContact NE-OE1 3.42Å; R753-E757 IonicContact NH2-OE1 2.93Å; R753-E757 PolarHBondContact NH2-OE1 3.09Å; R753-E757 WeakPolarHBondContact O-CB 3.32Å; R753-E757 WeakPolarHBondContact O-CG 3.43Å; R753-E757 PolarHBondContact O-N 3.37Å
754K82Confident79.6Confident121 Ų12154 Ų5453%0.52627%0.266SS..Hα-helixtrans-61.1-47.2177.4-65.5165.4-161.6161.60110.9D750 E751 L758D750-K754 WeakPolarHBondContact O-CE 3.19Å; D750-K754 WeakPolarHBondContact O-CG 3.35Å; D750-K754 PolarHBondContact O-N 2.85Å; E751-K754 WeakPolarHBondContact O-CB 3.33Å; E751-K754 PolarHBondContact O-N 3.09Å; K754-L758 VanDerWaalsContact O-CB 3.26Å; K754-L758 WeakPolarHBondContact O-CB 3.42Å; K754-L758 PolarHBondContact O-N 3.41Å
755H81.9Confident79.9Confident67 Ų6753.5 Ų53.531%0.3126%0.259SS..Hα-helixtrans-67.1-41.6-178.8-69.9-73.1000112.3E751 L758 A759 F773E751-H755 PolarHBondContact O-CD2 3.44Å; E751-H755 PolarHBondContact O-N 2.97Å; H755-L758 PolarHBondContact O-N 2.89Å; H755-A759 WeakPolarHBondContact O-CB 3.41Å; H755-A759 PolarHBondContact O-N 3.48Å; H755-F773 HydrophobicContact CB-CD1 4.01Å; H755-F773 HydrophobicContact CB-CE1 3.33Å; H755-F773 HydrophobicContact CB-CZ 3.64Å; H755-F773 AromaticContact CG-CE1 3.88Å
756Y83.3Confident80.1Confident3 Ų358.4 Ų58.41%0.01228%0.282CS..Hα-helixtrans-67.1-42.7176.2-179.5-101.4000112.9V730 D731 W736 P752 L758 G760 L765 L771 L790V730-Y756 HydrophobicContact CB-CE2 3.93Å; V730-Y756 HydrophobicContact CG1-CE2 4.3Å; V730-Y756 HydrophobicContact CG2-CE2 3.9Å; D731-Y756 PolarHBondContact O-OH 2.93Å; D731-Y756 PolarHBondContact OD1-OH 3.06Å; W736-Y756 AromaticContact CE3-CD1 3.74Å; W736-Y756 HydrophobicContact CE3-CD1 3.74Å; W736-Y756 HydrophobicContact CE3-CE1 4.5Å; W736-Y756 HydrophobicContact CE3-CG 4.09Å; W736-Y756 HydrophobicContact CZ3-CD1 4.3Å; W736-Y756 HydrophobicContact CZ3-CG 4.2Å; P752-Y756 VanDerWaalsContact O-CB 3.25Å; P752-Y756 WeakPolarHBondContact O-CB 3.24Å; P752-Y756 PolarHBondContact O-N 3.16Å; Y756-L758 PolarHBondContact O-N 3.24Å; Y756-G760 PolarHBondContact O-N 3.35Å; Y756-L765 HydrophobicContact CD2-CD1 4.23Å; Y756-L765 HydrophobicContact CD2-CD2 3.99Å; Y756-L765 HydrophobicContact CE2-CD1 3.73Å; Y756-L765 HydrophobicContact CE2-CD2 3.87Å; Y756-L765 HydrophobicContact CE2-CG 4.49Å; Y756-L771 HydrophobicContact CD2-CD1 4.33Å; Y756-L790 HydrophobicContact CD2-CD1 4.17Å
757E85.4Confident80.2Confident51 Ų5158.9 Ų58.924%0.23829%0.285CS..Hα-helixtrans-64.3-24.2173.1-75.3-173-156.600112.7R753 K761R753-E757 HydrophobicContact CG-CG 4.49Å; R753-E757 IonicContact CZ-OE1 3.33Å; R753-E757 IonicContact NE-OE1 2.8Å; R753-E757 PolarHBondContact NE-OE1 3.42Å; R753-E757 IonicContact NH2-OE1 2.93Å; R753-E757 PolarHBondContact NH2-OE1 3.09Å; R753-E757 WeakPolarHBondContact O-CB 3.32Å; R753-E757 WeakPolarHBondContact O-CG 3.43Å; R753-E757 PolarHBondContact O-N 3.37Å; E757-K761 VanDerWaalsContact O-CD 3.27Å; E757-K761 WeakPolarHBondContact O-CD 3.29Å; E757-K761 VanDerWaalsContact O-CE 3.26Å; E757-K761 WeakPolarHBondContact O-CE 3.36Å; E757-K761 VanDerWaalsContact O-CG 3.31Å; E757-K761 WeakPolarHBondContact O-CG 3.22Å
758L82.7Confident80.2Confident72 Ų7253.5 Ų53.538%0.37725%0.253SS..Hα-helixtrans-85.4-45.6177.4-162.6154.9000111.4Y670 K754 H755 Y756 G760 K761 M762Y670-L758 HydrophobicContact CD2-CD2 3.19Å; Y670-L758 HydrophobicContact CE2-CD2 3.39Å; Y670-L758 HydrophobicContact CG-CD2 4.02Å; K754-L758 VanDerWaalsContact O-CB 3.26Å; K754-L758 WeakPolarHBondContact O-CB 3.42Å; K754-L758 PolarHBondContact O-N 3.41Å; H755-L758 PolarHBondContact O-N 2.89Å; Y756-L758 PolarHBondContact O-N 3.24Å; L758-G760 PolarHBondContact O-N 2.81Å; L758-K761 WeakPolarHBondContact O-CB 3.45Å; L758-K761 PolarHBondContact O-N 3.14Å; L758-M762 HydrophobicContact CD2-CG 3.74Å; L758-M762 WeakPolarHBondContact O-CG 3.48Å; L758-M762 PolarHBondContact O-N 2.68Å
759A81.6Confident80.7Confident1 Ų154 Ų541%0.00826%0.257CS..Hα-helixtrans-54.7-38.1172.100000112.2H755 M762 K763 D764 L765 L771H755-A759 WeakPolarHBondContact O-CB 3.41Å; H755-A759 PolarHBondContact O-N 3.48Å; A759-M762 CarbonylContact O-C 3.34Å; A759-M762 PolarHBondContact O-N 2.79Å; A759-K763 PolarHBondContact O-N 2.96Å; A759-D764 HydrophobicContact CB-CB 4.21Å; A759-D764 PolarHBondContact O-N 3.14Å; A759-L765 HydrophobicContact CB-CD2 3.99Å; A759-L765 HydrophobicContact CB-CG 4.3Å; A759-L771 HydrophobicContact CB-CD1 4.15Å; A759-L771 HydrophobicContact CB-CD2 4.49Å
760G81.4Confident81Confident24 Ų2453.7 Ų53.725%0.24726%0.255CS..Hα-helixtrans-62.9-42.5172.300000114Y756 L758 M762 K763Y756-G760 PolarHBondContact O-N 3.35Å; L758-G760 PolarHBondContact O-N 2.81Å; G760-M762 VanDerWaalsContact C-N 3.31Å; G760-M762 PolarHBondContact O-N 3.23Å; G760-K763 PolarHBondContact O-N 2.92Å
761K81.1Confident81.2Confident142 Ų14250.2 Ų50.262%0.61724%0.236SC*.Hα-helixtrans-65.5-36.5174.7-68160.6-167154.80111.6E757 L758 K763E757-K761 VanDerWaalsContact O-CD 3.27Å; E757-K761 WeakPolarHBondContact O-CD 3.29Å; E757-K761 VanDerWaalsContact O-CE 3.26Å; E757-K761 WeakPolarHBondContact O-CE 3.36Å; E757-K761 VanDerWaalsContact O-CG 3.31Å; E757-K761 WeakPolarHBondContact O-CG 3.22Å; L758-K761 WeakPolarHBondContact O-CB 3.45Å; L758-K761 PolarHBondContact O-N 3.14Å; K761-K763 VanDerWaalsContact C-N 3.31Å; K761-K763 PolarHBondContact O-N 3.19Å
762M80.9Confident81.4Confident20 Ų2048.2 Ų48.210%0.09923%0.228CC..THydrogen-bonded Turntrans-87.26.3-179-58.5-51.2-71.300114.1W664 W665 C668 Y670 L758 A759 G760 D764W664-M762 HydrophobicContact CH2-CE 4.25Å; W664-M762 HydrophobicContact CH2-SD 4.44Å; W664-M762 HydrophobicContact CZ2-CE 4.15Å; W664-M762 HydrophobicContact CZ2-SD 4.43Å; W664-M762 VanDerWaalsContact CZ3-O 3.28Å; W664-M762 WeakPolarHBondContact CZ3-O 3.41Å; W665-M762 PolarHBondContact NE1-O 3.48Å; C668-M762 HydrophobicContact CB-CE 3.41Å; C668-M762 VanDerWaalsContact CB-CE 3.41Å; C668-M762 HydrophobicContact CB-SD 4.39Å; Y670-M762 HydrophobicContact CD1-CB 3.66Å; Y670-M762 HydrophobicContact CD1-CE 4.19Å; Y670-M762 HydrophobicContact CD1-CG 3.76Å; Y670-M762 HydrophobicContact CD2-CG 4.25Å; Y670-M762 HydrophobicContact CE1-CB 3.66Å; Y670-M762 HydrophobicContact CE1-CG 4.14Å; Y670-M762 HydrophobicContact CG-CB 4.25Å; Y670-M762 HydrophobicContact CG-CE 4.28Å; Y670-M762 HydrophobicContact CG-CG 3.82Å; L758-M762 HydrophobicContact CD2-CG 3.74Å; L758-M762 WeakPolarHBondContact O-CG 3.48Å; L758-M762 PolarHBondContact O-N 2.68Å; A759-M762 CarbonylContact O-C 3.34Å; A759-M762 PolarHBondContact O-N 2.79Å; G760-M762 VanDerWaalsContact C-N 3.31Å; G760-M762 PolarHBondContact O-N 3.23Å; M762-D764 VanDerWaalsContact C-N 3.34Å; M762-D764 PolarHBondContact O-N 3.09Å
763K77.5Confident81.5Confident156 Ų15648.2 Ų48.268%0.67823%0.227SC*.THydrogen-bonded Turntrans51.947.9179.2-60.8-179.3179.7175.50113.3K661 A759 G760 K761K661-K763 WeakPolarHBondContact CE-O 3.44Å; K661-K763 PolarHBondContact NZ-O 3.33Å; A759-K763 PolarHBondContact O-N 2.96Å; G760-K763 PolarHBondContact O-N 2.92Å; K761-K763 VanDerWaalsContact C-N 3.31Å; K761-K763 PolarHBondContact O-N 3.19Å
764D80.2Confident81.2Confident5 Ų548.1 Ų48.13%0.02724%0.239CC..  trans-102.1-8.5178.9-150.417.2000113.2K661 W665 Y670 S672 A759 M762 E766 N769K661-D764 IonicContact NZ-OD1 3.63Å; W665-D764 WeakPolarHBondContact CH2-OD1 3.44Å; W665-D764 HydrophobicContact CZ2-CB 4.02Å; W665-D764 WeakPolarHBondContact CZ2-OD1 3.4Å; Y670-D764 HydrophobicContact CE1-CB 4.28Å; Y670-D764 PolarHBondContact OH-OD2 2.77Å; S672-D764 VanDerWaalsContact CB-OD2 3.24Å; S672-D764 WeakPolarHBondContact CB-OD2 3.43Å; S672-D764 PolarHBondContact OG-OD2 3.04Å; A759-D764 HydrophobicContact CB-CB 4.21Å; A759-D764 PolarHBondContact O-N 3.14Å; M762-D764 VanDerWaalsContact C-N 3.34Å; M762-D764 PolarHBondContact O-N 3.09Å; D764-E766 VanDerWaalsContact C-N 3.32Å; D764-E766 PolarHBondContact O-N 3.24Å; D764-N769 PolarHBondContact O-ND2 3.03Å
765L80.8Confident80.8Confident16 Ų1643 Ų438%0.08422%0.217CC..  trans-82.172177-56.4-179.6000111.3Y756 A759 L771 V792Y756-L765 HydrophobicContact CD2-CD1 4.23Å; Y756-L765 HydrophobicContact CD2-CD2 3.99Å; Y756-L765 HydrophobicContact CE2-CD1 3.73Å; Y756-L765 HydrophobicContact CE2-CD2 3.87Å; Y756-L765 HydrophobicContact CE2-CG 4.49Å; A759-L765 HydrophobicContact CB-CD2 3.99Å; A759-L765 HydrophobicContact CB-CG 4.3Å; L765-L771 HydrophobicContact CD2-CD1 3.53Å; L765-V792 HydrophobicContact CB-CG2 4.4Å; L765-V792 HydrophobicContact CD2-CG2 3.93Å
766E81.3Confident79.9Confident109 Ų10945.6 Ų45.651%0.50923%0.234SC..  trans-93.3150.3170.1-63.4-179.7-137.700110K661 D764 N769 V792K661-E766 IonicContact NZ-OE1 3.2Å; K661-E766 PolarHBondContact NZ-OE1 2.75Å; D764-E766 VanDerWaalsContact C-N 3.32Å; D764-E766 PolarHBondContact O-N 3.24Å; E766-N769 WeakPolarHBondContact O-CB 3.15Å; E766-N769 PolarHBondContact O-N 2.92Å; E766-V792 WeakPolarHBondContact O-CB 3.47Å
767L80.2Confident78.9Confident62 Ų6247 Ų4733%0.32524%0.241SC..THydrogen-bonded Turntrans-62139.1-178.6-73.4171.3000110.3N769 V792 K795 L806 A809L767-N769 VanDerWaalsContact C-N 3.27Å; L767-N769 PolarHBondContact O-N 3.02Å; L767-V792 WeakPolarHBondContact CA-O 3.41Å; L767-V792 HydrophobicContact CD2-CG1 4.42Å; L767-K795 HydrophobicContact CD1-CD 4.2Å; L767-L806 HydrophobicContact CD1-CD1 3.74Å; L767-L806 HydrophobicContact CD2-CD1 4.18Å; L767-A809 HydrophobicContact CB-CB 4.24Å; L767-A809 HydrophobicContact CD2-CB 4.5Å
768G74.9Confident77.5Confident0 Ų051.3 Ų51.30%026%0.259CS..THydrogen-bonded Turntrans82.4-3.9-176.800000114.3V792 K816G768-V792 PolarHBondContact N-O 3.26Å; G768-K816 PolarHBondContact O-NZ 3.37Å
769N83.1Confident76.2Confident31 Ų3155.6 Ų55.617%0.16628%0.277CS..  trans-75.2143169.8-77.1-5.9000111.6D764 E766 L767 V792D764-N769 PolarHBondContact O-ND2 3.03Å; E766-N769 WeakPolarHBondContact O-CB 3.15Å; E766-N769 PolarHBondContact O-N 2.92Å; L767-N769 VanDerWaalsContact C-N 3.27Å; L767-N769 PolarHBondContact O-N 3.02Å; N769-V792 PolarHBondContact O-N 2.98Å
770V82.7Confident74.9Confident0 Ų059.5 Ų59.50%030%0.304CS..EExtended strand (participates in β ladder)trans-118.9116.9172-174.90000108.2C674 L675 A789 L790 I791 G813 K816 I817C674-V770 CarbonylContact C-O 3.57Å; C674-V770 VanDerWaalsContact CA-O 3.31Å; C674-V770 WeakPolarHBondContact CA-O 3.34Å; L675-V770 HydrophobicContact CD1-CB 4.2Å; L675-V770 HydrophobicContact CD1-CG1 4.04Å; L675-V770 PolarHBondContact N-O 3.11Å; V770-A789 HydrophobicContact CG1-CB 3.98Å; V770-L790 WeakPolarHBondContact CA-O 3.45Å; V770-I791 HydrophobicContact CG2-CG1 4.14Å; V770-I791 HydrophobicContact CG2-CG2 4.33Å; V770-G813 VanDerWaalsContact CG2-CA 3.49Å; V770-G813 WeakPolarHBondContact CG2-O 3.37Å; V770-K816 HydrophobicContact CB-CB 4.49Å; V770-K816 HydrophobicContact CG2-CB 4.05Å; V770-K816 HydrophobicContact CG2-CD 4.34Å; V770-I817 HydrophobicContact CG1-CD1 4.17Å; V770-I817 HydrophobicContact CG1-CG1 3.93Å; V770-I817 HydrophobicContact CG2-CG1 4.4Å
771L82.8Confident74Confident1 Ų161.6 Ų61.61%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-87.5126.9170.5-70.3160.9000108.9L673 C674 Y756 A759 L765 F773 A789 L790L673-L771 HydrophobicContact CB-CD2 4.16Å; L673-L771 WeakPolarHBondContact O-CA 3.16Å; C674-L771 WeakPolarHBondContact SG-CD2 3.39Å; Y756-L771 HydrophobicContact CD2-CD1 4.33Å; A759-L771 HydrophobicContact CB-CD1 4.15Å; A759-L771 HydrophobicContact CB-CD2 4.49Å; L765-L771 HydrophobicContact CD2-CD1 3.53Å; L771-F773 HydrophobicContact CB-CE1 4.32Å; L771-F773 HydrophobicContact CB-CE2 3.77Å; L771-F773 HydrophobicContact CB-CZ 3.56Å; L771-F773 HydrophobicContact CD1-CZ 4.13Å; L771-F773 HydrophobicContact CD2-CZ 4.27Å; L771-F773 HydrophobicContact CG-CZ 4.21Å; L771-A789 CarbonylContact O-C 3.57Å; L771-A789 WeakPolarHBondContact O-CA 3.22Å; L771-L790 HydrophobicContact CB-CB 4.34Å; L771-L790 PolarHBondContact N-O 3.02Å; L771-L790 PolarHBondContact O-N 2.83Å
772L83.2Confident72.7Confident32 Ų3263.3 Ų63.317%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-113.4126.3178.5-17367.3000110.3L673 L675 I725 Q787 A789 A820L673-L772 PolarHBondContact O-N 3.49Å; L673-L772 VanDerWaalsContact O-N 3.14Å; L675-L772 HydrophobicContact CD1-CB 4.36Å; L675-L772 HydrophobicContact CD1-CD2 4.47Å; L675-L772 HydrophobicContact CD2-CB 4.2Å; L675-L772 HydrophobicContact CD2-CD2 3.98Å; L675-L772 HydrophobicContact CG-CB 4.16Å; I725-L772 HydrophobicContact CG2-CD1 4.41Å; L772-Q787 HydrophobicContact CD1-CB 3.99Å; L772-A789 HydrophobicContact CD1-CB 4.01Å; L772-A820 HydrophobicContact CD2-CB 4.5Å
773F82.2Confident71.5Confident5 Ų567.2 Ų67.22%0.02234%0.341CS..EExtended strand (participates in β ladder)trans-127139.3179.2-47.9-68000110.6L673 H755 L771 Q787 L788 L790L673-F773 HydrophobicContact CB-CD1 4.45Å; L673-F773 HydrophobicContact CB-CE1 3.97Å; L673-F773 HydrophobicContact CD1-CD1 3.96Å; L673-F773 HydrophobicContact CD1-CE1 3.69Å; L673-F773 HydrophobicContact CG-CE1 4.45Å; H755-F773 HydrophobicContact CB-CD1 4.01Å; H755-F773 HydrophobicContact CB-CE1 3.33Å; H755-F773 HydrophobicContact CB-CZ 3.64Å; H755-F773 AromaticContact CG-CE1 3.88Å; L771-F773 HydrophobicContact CB-CE1 4.32Å; L771-F773 HydrophobicContact CB-CE2 3.77Å; L771-F773 HydrophobicContact CB-CZ 3.56Å; L771-F773 HydrophobicContact CD1-CZ 4.13Å; L771-F773 HydrophobicContact CD2-CZ 4.27Å; L771-F773 HydrophobicContact CG-CZ 4.21Å; F773-Q787 CarbonylContact O-C 3.49Å; F773-Q787 VanDerWaalsContact O-CA 3.23Å; F773-Q787 WeakPolarHBondContact O-CA 3.25Å; F773-L788 PolarHBondContact N-O 3.37Å; F773-L788 PolarHBondContact O-N 2.89Å; F773-L790 HydrophobicContact CE2-CD1 3.93Å; F773-L790 HydrophobicContact CE2-CG 4.19Å
774P76.6Confident70.8Confident93 Ų9361.4 Ų61.460%0.60433%0.325SS*.EExtended strand (participates in β ladder)trans-65.1145.7159.231.1-33.5000109.3
775I72.9Confident70.5Confident13 Ų1370.3 Ų70.37%0.06736%0.358CS..  trans-97.596.4169.9-48.9-179.9000107.5I726 R748 D786 L788I726-I775 HydrophobicContact CD1-CD1 4.05Å; R748-I775 HydrophobicContact CB-CG2 4.44Å; I775-D786 HydrophobicContact CB-CB 4.41Å; I775-D786 HydrophobicContact CD1-CB 4.2Å; I775-D786 HydrophobicContact CG1-CB 4.5Å; I775-D786 PolarHBondContact N-O 2.88Å; I775-L788 HydrophobicContact CD1-CB 4Å; I775-L788 HydrophobicContact CG1-CB 3.97Å
776D63Low70.5Confident122 Ų12270 Ų7065%0.65236%0.357SS*.  trans-75.4125.6170.6-159.415.9000109.6
777D63.1Low70.6Confident31 Ų3166.2 Ų66.217%0.16634%0.339CS..  trans-110.9140-154.8-98.5-32.3000113.7R748 Q779R748-D777 IonicContact CZ-OD1 1.92Å; R748-D777 IonicContact CZ-OD2 2.8Å; R748-D777 IonicContact NE-OD1 2.71Å; R748-D777 PolarHBondContact NE-OD1 2.87Å; R748-D777 IonicContact NE-OD2 2.79Å; R748-D777 VanDerWaalsContact NH2-CG 3.27Å; R748-D777 IonicContact NH2-OD1 3.16Å; R748-D777 PolarHBondContact NH2-OD1 2.66Å; R748-D777 VanDerWaalsContact NH2-OD1 3.13Å; R748-D777 IonicContact NH2-OD2 3.19Å; R748-D777 PolarHBondContact NH2-OD2 2.91Å; D777-Q779 VanDerWaalsContact C-N 3.27Å
778K55.1Low70.8Confident143 Ų14363.3 Ų63.362%0.62232%0.324SS*.SBendtrans-79.8-9.6164.6-65.1163.3-1701560112.7D750D750-K778 IonicContact OD2-NZ 3.65Å; D750-K778 PolarHBondContact OD2-NZ 2.76Å
779Q56.8Low71.4Confident162 Ų16263.3 Ų63.376%0.75732%0.324SS*.SBendtrans-14761.6-178.6-66.5-172.1-15.800111.1D777D777-Q779 VanDerWaalsContact C-N 3.27Å
780S52.6Low71.6Confident82 Ų8261.8 Ų61.857%0.57332%0.316SS*.  trans-60.9145.6-175.2-40.20000113.1
781R62.2Low71.8Confident69 Ų6961.8 Ų61.826%0.2632%0.316SS..  trans-63.5153.2160.9-77.1169.943.3163.5-16.5110.4P717 T719 G722 D783P717-R781 PolarHBondContact O-NH1 3.08Å; T719-R781 PolarHBondContact O-NH1 3.3Å; T719-R781 PolarHBondContact O-NH2 2.92Å; T719-R781 PolarHBondContact OG1-NH1 2.9Å; G722-R781 PolarHBondContact O-NH2 2.87Å; R781-D783 PolarHBondContact NE-O 2.82Å; R781-D783 VanDerWaalsContact NE-O 3.1Å; R781-D783 PolarHBondContact NH2-O 2.99Å
782L53.7Low71.9Confident178 Ų17861.8 Ų61.893%0.93232%0.316SS*.SBendtrans-74.1-30.9175.6-69.3170.8000112.9
783D56.8Low71.9Confident102 Ų10260.2 Ų60.255%0.54531%0.308SS..SBendtrans-129.9133.5177.2-78.9-49.4000111R781R781-D783 PolarHBondContact NE-O 2.82Å; R781-D783 VanDerWaalsContact NE-O 3.1Å; R781-D783 PolarHBondContact NH2-O 2.99Å
784G63.3Low71.9Confident34 Ų3461 Ų6135%0.35131%0.312SS..  trans88.9154.1178.300000114.9D723D723-G784 WeakPolarHBondContact OD1-CA 3.46Å
785R73.1Confident72.2Confident191 Ų19161.3 Ų61.372%0.72130%0.303SS*.  trans-107.1137.6174.1-65.5177.1171.6176.6-2.5111.3D723 A724D723-R785 VanDerWaalsContact CA-O 3.31Å; D723-R785 WeakPolarHBondContact CA-O 3.26Å; D723-R785 WeakPolarHBondContact CB-O 3.36Å; D723-R785 PolarHBondContact OD1-N 2.91Å; A724-R785 PolarHBondContact N-O 3.31Å
786D80.8Confident72.4Confident10 Ų1064 Ų645%0.05331%0.313CS..EExtended strand (participates in β ladder)trans-94.4138.8172.5-75.210.1000110.8A724 R748 I775A724-D786 CarbonylContact O-C 3.57Å; A724-D786 WeakPolarHBondContact O-CA 3.35Å; R748-D786 IonicContact CZ-OD2 3Å; R748-D786 VanDerWaalsContact CZ-OD2 3.24Å; R748-D786 IonicContact NH1-OD2 2.73Å; R748-D786 PolarHBondContact NH1-OD2 2.94Å; R748-D786 VanDerWaalsContact NH2-CB 3.32Å; R748-D786 IonicContact NH2-OD2 3.22Å; R748-D786 PolarHBondContact NH2-OD2 3.41Å; I775-D786 HydrophobicContact CB-CB 4.41Å; I775-D786 HydrophobicContact CD1-CB 4.2Å; I775-D786 HydrophobicContact CG1-CB 4.5Å; I775-D786 PolarHBondContact N-O 2.88Å
787Q83.6Confident72.9Confident30 Ų3062.6 Ų62.614%0.1431%0.305CS..EExtended strand (participates in β ladder)trans-126.1146.2175.2-62.1178-000109.7A724 I725 I726 L772 F773 N824A724-Q787 PolarHBondContact O-N 3.45Å; I725-Q787 CarbonylContact C-O 3.53Å; I725-Q787 WeakPolarHBondContact CA-O 3.32Å; I725-Q787 HydrophobicContact CG1-CB 4.27Å; I726-Q787 PolarHBondContact N-O 3.02Å; L772-Q787 HydrophobicContact CD1-CB 3.99Å; F773-Q787 CarbonylContact O-C 3.49Å; F773-Q787 VanDerWaalsContact O-CA 3.23Å; F773-Q787 WeakPolarHBondContact O-CA 3.25Å; Q787-N824 PolarHBondContact NE2-ND2 3.47Å; Q787-N824 PolarHBondContact OE1-ND2 3.2Å
788L84.9Confident73.1Confident0 Ų071.1 Ų71.10%034%0.341CS..EExtended strand (participates in β ladder)trans-109.1117.9174.7-17670.5000109.9I726 L745 P752 F773 I775 L790I726-L788 HydrophobicContact CB-CD1 4.16Å; I726-L788 HydrophobicContact CG2-CD1 3.88Å; I726-L788 WeakPolarHBondContact O-CA 3.44Å; L745-L788 HydrophobicContact CD1-CD1 3.87Å; L745-L788 HydrophobicContact CD1-CD2 4.09Å; L745-L788 HydrophobicContact CD2-CD1 4.03Å; L745-L788 HydrophobicContact CD2-CD2 4.5Å; P752-L788 HydrophobicContact CB-CD2 3.62Å; P752-L788 HydrophobicContact CG-CD2 3.76Å; F773-L788 PolarHBondContact N-O 3.37Å; F773-L788 PolarHBondContact O-N 2.89Å; I775-L788 HydrophobicContact CD1-CB 4Å; I775-L788 HydrophobicContact CG1-CB 3.97Å; L788-L790 HydrophobicContact CD1-CD2 4.23Å; L788-L790 HydrophobicContact CD2-CD2 3.96Å; L788-L790 HydrophobicContact CD2-CG 4.18Å; L788-L790 HydrophobicContact CG-CD2 3.94Å; L788-L790 HydrophobicContact CG-CG 4.23Å
789A87.2Confident73.6Confident0 Ų067.2 Ų67.20%034%0.335CS..EExtended strand (participates in β ladder)trans-99.9115.8172.100000110.4I725 I726 V727 H728 V770 L771 L772 I817I725-A789 HydrophobicContact CG2-CB 3.68Å; I726-A789 PolarHBondContact O-N 3.2Å; V727-A789 WeakPolarHBondContact CA-O 3.5Å; V727-A789 HydrophobicContact CG2-CB 4.26Å; H728-A789 PolarHBondContact N-O 3.12Å; V770-A789 HydrophobicContact CG1-CB 3.98Å; L771-A789 CarbonylContact O-C 3.57Å; L771-A789 WeakPolarHBondContact O-CA 3.22Å; L772-A789 HydrophobicContact CD1-CB 4.01Å; A789-I817 HydrophobicContact CB-CD1 4.14Å; A789-I817 HydrophobicContact CB-CG1 4.25Å
790L86.6Confident74.2Confident0 Ų063.7 Ų63.70%032%0.321CS..EExtended strand (participates in β ladder)trans-104.2108.5176.6-65.9-168.7000110.7H728 V730 W736 Y756 V770 L771 F773 L788H728-L790 HydrophobicContact CB-CD2 3.86Å; H728-L790 WeakPolarHBondContact O-CA 3.42Å; V730-L790 HydrophobicContact CG2-CB 3.79Å; V730-L790 HydrophobicContact CG2-CD1 4.45Å; V730-L790 HydrophobicContact CG2-CG 4.49Å; W736-L790 HydrophobicContact CH2-CD1 4.24Å; W736-L790 HydrophobicContact CZ3-CD1 3.86Å; Y756-L790 HydrophobicContact CD2-CD1 4.17Å; V770-L790 WeakPolarHBondContact CA-O 3.45Å; L771-L790 HydrophobicContact CB-CB 4.34Å; L771-L790 PolarHBondContact N-O 3.02Å; L771-L790 PolarHBondContact O-N 2.83Å; F773-L790 HydrophobicContact CE2-CD1 3.93Å; F773-L790 HydrophobicContact CE2-CG 4.19Å; L788-L790 HydrophobicContact CD1-CD2 4.23Å; L788-L790 HydrophobicContact CD2-CD2 3.96Å; L788-L790 HydrophobicContact CD2-CG 4.18Å; L788-L790 HydrophobicContact CG-CD2 3.94Å; L788-L790 HydrophobicContact CG-CG 4.23Å
791I86.8Confident75.2Confident0 Ų065 Ų650%032%0.322CS..EExtended strand (participates in β ladder)trans-87.7123.4177.1-46.1177.4000109.9V727 H728 C729 V730 V770 A793 L810 I817V727-I791 HydrophobicContact CG1-CD1 3.67Å; V727-I791 HydrophobicContact CG1-CG1 4.07Å; H728-I791 PolarHBondContact O-N 3.14Å; C729-I791 WeakPolarHBondContact CA-O 3.41Å; V730-I791 WeakPolarHBondContact CG2-O 3.39Å; V730-I791 PolarHBondContact N-O 3.08Å; V770-I791 HydrophobicContact CG2-CG1 4.14Å; V770-I791 HydrophobicContact CG2-CG2 4.33Å; I791-A793 HydrophobicContact CG2-CB 4.09Å; I791-A793 PolarHBondContact O-N 3.22Å; I791-A793 VanDerWaalsContact O-N 3.09Å; I791-L810 HydrophobicContact CD1-CD1 3.72Å; I791-L810 HydrophobicContact CG2-CD1 4.46Å; I791-I817 HydrophobicContact CD1-CD1 3.57Å; I791-I817 HydrophobicContact CG1-CD1 3.74Å
792V85.9Confident75.7Confident0 Ų065.8 Ų65.80%033%0.331CS..EExtended strand (participates in β ladder)trans-8187.4172.6-1730000109.2D732 L765 E766 L767 G768 N769D732-V792 HydrophobicContact CB-CG1 4.37Å; L765-V792 HydrophobicContact CB-CG2 4.4Å; L765-V792 HydrophobicContact CD2-CG2 3.93Å; E766-V792 WeakPolarHBondContact O-CB 3.47Å; L767-V792 WeakPolarHBondContact CA-O 3.41Å; L767-V792 HydrophobicContact CD2-CG1 4.42Å; G768-V792 PolarHBondContact N-O 3.26Å; N769-V792 PolarHBondContact O-N 2.98Å
793A82.6Confident76.6Confident0 Ų059.7 Ų59.70%030%0.301CS..EExtended strand (participates in β ladder)trans-117.83-17400000113.9C729 V730 I791 I805 L806C729-A793 HydrophobicContact CB-CB 4.5Å; V730-A793 PolarHBondContact O-N 3.32Å; V730-A793 VanDerWaalsContact O-N 3.13Å; I791-A793 HydrophobicContact CG2-CB 4.09Å; I791-A793 PolarHBondContact O-N 3.22Å; I791-A793 VanDerWaalsContact O-N 3.09Å; A793-I805 HydrophobicContact CB-CG2 3.97Å; A793-I805 WeakPolarHBondContact O-CA 3.19Å; A793-L806 PolarHBondContact O-N 3.43Å
794Q83.4Confident77.4Confident22 Ų2256.8 Ų56.810%0.10330%0.295CS..EExtended strand (participates in β ladder)trans-125.2151175.7-65.6-175.6-5800110.8V730 D731 D732 L802 I805V730-Q794 PolarHBondContact O-N 3.02Å; D731-Q794 VanDerWaalsContact CA-O 3.31Å; D731-Q794 WeakPolarHBondContact CA-O 3.3Å; D731-Q794 HydrophobicContact CB-CB 3.97Å; D732-Q794 PolarHBondContact N-O 2.88Å; Q794-L802 HydrophobicContact CB-CD1 4.43Å; Q794-I805 HydrophobicContact CG-CB 4.43Å; Q794-I805 HydrophobicContact CG-CG1 3.73Å
795K82.3Confident78.1Confident98 Ų9856.1 Ų56.143%0.42628%0.283SS..  trans-120.4149.6177.7-177150.4-166.5165.70110.6D732 L767 T803D732-K795 WeakPolarHBondContact OD1-CA 3.29Å; L767-K795 HydrophobicContact CD1-CD 4.2Å; K795-T803 HydrophobicContact CB-CG2 4.03Å; K795-T803 PolarHBondContact N-OG1 3.22Å; K795-T803 WeakPolarHBondContact O-CG2 3.48Å; K795-T803 PolarHBondContact O-N 3.46Å; K795-T803 PolarHBondContact O-OG1 3.04Å
796R77.7Confident78.5Confident71 Ų7150.2 Ų50.227%0.26827%0.266SS..BIsolated β-bridgetrans-101.9129.9163.5-62.9-160.3-170.5-160.63.4111.3D731 D732 S733 N800 N801 L802D731-R796 IonicContact OD1-NE 3.36Å; D731-R796 IonicContact OD2-CZ 2.66Å; D731-R796 IonicContact OD2-NE 3.72Å; D731-R796 PolarHBondContact OD2-NE 3.06Å; D731-R796 IonicContact OD2-NH2 3.13Å; D731-R796 PolarHBondContact OD2-NH2 3.07Å; D732-R796 PolarHBondContact OD1-N 3.47Å; S733-R796 PolarHBondContact OG-NE 3.26Å; S733-R796 PolarHBondContact OG-NH2 2.97Å; R796-N800 WeakPolarHBondContact CD-OD1 3.35Å; R796-N800 PolarHBondContact NH1-OD1 2.98Å; R796-N801 WeakPolarHBondContact CA-O 3.34Å; R796-L802 HydrophobicContact CG-CD1 4.07Å
797D72.7Confident78.4Confident92 Ų9253 Ų5349%0.49228%0.28SS..  trans-71.4163.7166.4177.147.5000110.8A799 N800 N801D797-A799 PolarHBondContact O-N 3.45Å; D797-A799 VanDerWaalsContact O-N 3.11Å; D797-A799 WeakPolarHBondContact OD2-CB 3.47Å; D797-A799 PolarHBondContact OD2-N 3.13Å; D797-N800 WeakPolarHBondContact O-CA 3.31Å; D797-N800 PolarHBondContact O-N 2.92Å; D797-N801 PolarHBondContact N-O 3.44Å
798K68.1Low78.4Confident210 Ų21055.4 Ų55.491%0.91330%0.301SS*.THydrogen-bonded Turntrans-55.8-25.1176.1-65.7175.2-179.6172.70113.1N800K798-N800 PolarHBondContact O-N 3Å
799A65.6Low78.2Confident61 Ų6155.6 Ų55.650%0.50430%0.302SS..THydrogen-bonded Turntrans-75.25170.400000114.6D797 N801D797-A799 PolarHBondContact O-N 3.45Å; D797-A799 VanDerWaalsContact O-N 3.11Å; D797-A799 WeakPolarHBondContact OD2-CB 3.47Å; D797-A799 PolarHBondContact OD2-N 3.13Å; A799-N801 PolarHBondContact O-N 3.49Å
800N69.2Low78.1Confident87 Ų8755.7 Ų55.747%0.46530%0.303SS..SBendtrans60.617.8-172.9-170.249.2000114.2R735 R796 D797 K798R735-N800 PolarHBondContact NH2-OD1 3.05Å; R796-N800 WeakPolarHBondContact CD-OD1 3.35Å; R796-N800 PolarHBondContact NH1-OD1 2.98Å; D797-N800 WeakPolarHBondContact O-CA 3.31Å; D797-N800 PolarHBondContact O-N 2.92Å; K798-N800 PolarHBondContact O-N 3Å
801N73.1Confident77.9Confident109 Ų10957.2 Ų57.258%0.58331%0.311SS*.PPolyproline II helixtrans-78.3136.7170.9-69.9-37.4000110.2R796 D797 A799R796-N801 WeakPolarHBondContact CA-O 3.34Å; D797-N801 PolarHBondContact N-O 3.44Å; A799-N801 PolarHBondContact O-N 3.49Å
802L71.7Confident77.7Confident86 Ų8661.6 Ų61.645%0.4533%0.332SS..BIsolated β-bridgetrans-83134.2177.4-161.383.4000110.3D731 Q794 R796D731-L802 HydrophobicContact CB-CD1 3.81Å; D731-L802 WeakPolarHBondContact OD2-CD1 3.39Å; Q794-L802 HydrophobicContact CB-CD1 4.43Å; R796-L802 HydrophobicContact CG-CD1 4.07Å
803T73.9Confident77.6Confident51 Ų5161.6 Ų61.631%0.31333%0.332SS..PPolyproline II helixtrans-73.4168.7170.564.90000112K795K795-T803 HydrophobicContact CB-CG2 4.03Å; K795-T803 PolarHBondContact N-OG1 3.22Å; K795-T803 WeakPolarHBondContact O-CG2 3.48Å; K795-T803 PolarHBondContact O-N 3.46Å; K795-T803 PolarHBondContact O-OG1 3.04Å
804G73.3Confident77.8Confident41 Ų4161.7 Ų61.742%0.42333%0.332SS..PPolyproline II helixtrans-57.9164.3156.600000111.6L806G804-L806 PolarHBondContact O-N 2.82Å
805I78.1Confident77.9Confident19 Ų1964.9 Ų64.910%0.09735%0.346CS..PPolyproline II helixtrans-71124.3172.3-60.4175.2000107.9A793 Q794 L810 I833 F840A793-I805 HydrophobicContact CB-CG2 3.97Å; A793-I805 WeakPolarHBondContact O-CA 3.19Å; Q794-I805 HydrophobicContact CG-CB 4.43Å; Q794-I805 HydrophobicContact CG-CG1 3.73Å; I805-L810 HydrophobicContact CG2-CD2 4.37Å; I805-I833 HydrophobicContact CD1-CG2 3.41Å; I805-I833 VanDerWaalsContact CD1-CG2 3.41Å; I805-F840 HydrophobicContact CB-CD2 4.08Å; I805-F840 HydrophobicContact CB-CE2 3.79Å; I805-F840 HydrophobicContact CD1-CD2 4.19Å; I805-F840 HydrophobicContact CD1-CE2 3.83Å; I805-F840 HydrophobicContact CD1-CZ 4.33Å; I805-F840 HydrophobicContact CG1-CD2 4.41Å; I805-F840 HydrophobicContact CG1-CE2 4.27Å; I805-F840 HydrophobicContact CG2-CE2 4.19Å
806L80.8Confident77.9Confident67 Ų6761.2 Ų61.235%0.35133%0.33SS..PPolyproline II helixtrans-83.3120.2-178.2-66170.6000109.8L767 A793 G804 S808 A809 L810L767-L806 HydrophobicContact CD1-CD1 3.74Å; L767-L806 HydrophobicContact CD2-CD1 4.18Å; A793-L806 PolarHBondContact O-N 3.43Å; G804-L806 PolarHBondContact O-N 2.82Å; L806-S808 PolarHBondContact O-N 2.86Å; L806-A809 HydrophobicContact CB-CB 4.16Å; L806-A809 PolarHBondContact O-N 2.98Å; L806-L810 PolarHBondContact O-N 3.42Å; L806-L810 VanDerWaalsContact O-N 3.08Å
807L80.1Confident78.3Confident68 Ų6858 Ų5836%0.35632%0.317SS..Hα-helixtrans-68-30.8-174.5-67.3177.7000113.4L810 D811 L848L807-L810 HydrophobicContact CD2-CD2 4.46Å; L807-L810 PolarHBondContact O-N 3.42Å; L807-D811 PolarHBondContact O-N 3.33Å; L807-L848 HydrophobicContact CB-CD1 4.32Å; L807-L848 HydrophobicContact CD2-CD1 4.35Å
808S82.1Confident78.9Confident81 Ų8154.9 Ų54.957%0.56630%0.299SS*.Hα-helixtrans-66.3-48.6174.648.80000112.4L806 L810 D811 E812L806-S808 PolarHBondContact O-N 2.86Å; S808-L810 PolarHBondContact O-N 2.93Å; S808-D811 WeakPolarHBondContact O-CB 3.41Å; S808-D811 PolarHBondContact O-N 3.05Å; S808-D811 VanDerWaalsContact O-N 3.1Å; S808-E812 PolarHBondContact O-N 2.99Å
809A81.4Confident79.6Confident5 Ų546.8 Ų46.84%0.04127%0.269CS..Hα-helixtrans-62.4-26.317400000112.6L767 L806 G813L767-A809 HydrophobicContact CB-CB 4.24Å; L767-A809 HydrophobicContact CD2-CB 4.5Å; L806-A809 HydrophobicContact CB-CB 4.16Å; L806-A809 PolarHBondContact O-N 2.98Å; A809-G813 PolarHBondContact O-N 3.32Å
810L83.9Confident80.4Confident1 Ų144.5 Ų44.51%0.00525%0.25CC..Hα-helixtrans-77.9-36.5172.9-169.663.1000112.5I791 I805 L806 L807 S808 G813 L814 T845I791-L810 HydrophobicContact CD1-CD1 3.72Å; I791-L810 HydrophobicContact CG2-CD1 4.46Å; I805-L810 HydrophobicContact CG2-CD2 4.37Å; L806-L810 PolarHBondContact O-N 3.42Å; L806-L810 VanDerWaalsContact O-N 3.08Å; L807-L810 HydrophobicContact CD2-CD2 4.46Å; L807-L810 PolarHBondContact O-N 3.42Å; S808-L810 PolarHBondContact O-N 2.93Å; L810-G813 PolarHBondContact O-N 3.19Å; L810-L814 HydrophobicContact CG-CD1 4.15Å; L810-L814 WeakPolarHBondContact O-CB 3.38Å; L810-L814 VanDerWaalsContact O-CG 3.25Å; L810-L814 WeakPolarHBondContact O-CG 3.49Å; L810-L814 PolarHBondContact O-N 3.37Å; L810-T845 HydrophobicContact CD2-CG2 3.83Å
811D84.4Confident81.1Confident32 Ų3240.4 Ų40.417%0.17123%0.229CC..Hα-helixtrans-62.1-52.3174.2-168.777.6000110.9L807 S808 G813 L814 K815 L848 H852L807-D811 PolarHBondContact O-N 3.33Å; S808-D811 WeakPolarHBondContact O-CB 3.41Å; S808-D811 PolarHBondContact O-N 3.05Å; S808-D811 VanDerWaalsContact O-N 3.1Å; D811-G813 VanDerWaalsContact C-N 3.26Å; D811-G813 PolarHBondContact O-N 3.28Å; D811-L814 PolarHBondContact O-N 3.05Å; D811-L814 VanDerWaalsContact O-N 3.13Å; D811-K815 WeakPolarHBondContact O-CG 3.36Å; D811-K815 PolarHBondContact O-N 3.04Å; D811-K815 WeakPolarHBondContact OD2-CE 3.44Å; D811-L848 HydrophobicContact CB-CD1 4.33Å; D811-L848 WeakPolarHBondContact OD1-CD2 3.4Å; D811-H852 IonicContact OD1-CD2 3.28Å; D811-H852 PolarHBondContact OD1-CD2 3.21Å; D811-H852 IonicContact OD1-NE2 2.65Å; D811-H852 PolarHBondContact OD1-NE2 3.48Å; D811-H852 IonicContact OD2-NE2 2.75Å; D811-H852 PolarHBondContact OD2-NE2 3.41Å
812E82.5Confident81.5Confident93 Ų9340.8 Ų40.844%0.43523%0.225SC..Hα-helixtrans-56.6-39.6174.1-69.1173.5-152.600112.3S808 K816S808-E812 PolarHBondContact O-N 2.99Å; E812-K816 WeakPolarHBondContact O-CG 3.47Å; E812-K816 PolarHBondContact O-N 3.45Å; E812-K816 VanDerWaalsContact O-N 3.16Å
813G83.6Confident82Confident0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-67-40.7176.500000113.3V770 A809 L810 D811 K816 I817V770-G813 VanDerWaalsContact CG2-CA 3.49Å; V770-G813 WeakPolarHBondContact CG2-O 3.37Å; A809-G813 PolarHBondContact O-N 3.32Å; L810-G813 PolarHBondContact O-N 3.19Å; D811-G813 VanDerWaalsContact C-N 3.26Å; D811-G813 PolarHBondContact O-N 3.28Å; G813-K816 PolarHBondContact O-N 2.95Å; G813-I817 WeakPolarHBondContact O-CG1 3.38Å; G813-I817 PolarHBondContact O-N 3.14Å
814L86.1Confident82.1Confident2 Ų245.7 Ų45.71%0.0124%0.241CC..Hα-helixtrans-68.9-37177.3-73.4168.6000111.8L810 D811 I817 Y818 L848 I849 H852 L853L810-L814 HydrophobicContact CG-CD1 4.15Å; L810-L814 WeakPolarHBondContact O-CB 3.38Å; L810-L814 VanDerWaalsContact O-CG 3.25Å; L810-L814 WeakPolarHBondContact O-CG 3.49Å; L810-L814 PolarHBondContact O-N 3.37Å; D811-L814 PolarHBondContact O-N 3.05Å; D811-L814 VanDerWaalsContact O-N 3.13Å; L814-I817 PolarHBondContact O-N 3.43Å; L814-Y818 PolarHBondContact O-N 3.08Å; L814-L848 HydrophobicContact CD1-CB 3.93Å; L814-I849 HydrophobicContact CD1-CG1 3.99Å; L814-I849 HydrophobicContact CD2-CG1 4.3Å; L814-H852 HydrophobicContact CB-CB 4.27Å; L814-L853 HydrophobicContact CD2-CD1 3.84Å
815K85.3Confident82.5Confident89 Ų8950.6 Ų50.639%0.38726%0.258SS..Hα-helixtrans-58.5-49.5170.9-69.6-176.4-179.9-1630112D811 I817 Y818 S819 H852D811-K815 WeakPolarHBondContact O-CG 3.36Å; D811-K815 PolarHBondContact O-N 3.04Å; D811-K815 WeakPolarHBondContact OD2-CE 3.44Å; K815-I817 VanDerWaalsContact C-N 3.28Å; K815-I817 PolarHBondContact O-N 3.39Å; K815-Y818 WeakPolarHBondContact O-CB 3.46Å; K815-Y818 PolarHBondContact O-N 3.01Å; K815-Y818 VanDerWaalsContact O-N 3.13Å; K815-S819 PolarHBondContact O-N 2.75Å; K815-H852 WeakPolarHBondContact CE-CE1 3.37Å
816K83.3Confident82.6Confident21 Ų2149.9 Ų49.99%0.09125%0.254CS..Hα-helixtrans-61.3-35.8177.2-69.9167.3-173.5168.40112.4L675 L677 G768 V770 E812 G813 A820L675-K816 HydrophobicContact CB-CB 4.24Å; L675-K816 HydrophobicContact CD1-CB 4.37Å; L677-K816 HydrophobicContact CD2-CG 4.18Å; L677-K816 HydrophobicContact CG-CG 4.5Å; G768-K816 PolarHBondContact O-NZ 3.37Å; V770-K816 HydrophobicContact CB-CB 4.49Å; V770-K816 HydrophobicContact CG2-CB 4.05Å; V770-K816 HydrophobicContact CG2-CD 4.34Å; E812-K816 WeakPolarHBondContact O-CG 3.47Å; E812-K816 PolarHBondContact O-N 3.45Å; E812-K816 VanDerWaalsContact O-N 3.16Å; G813-K816 PolarHBondContact O-N 2.95Å; K816-A820 PolarHBondContact O-N 3.24Å
817I85.7Confident82.9Confident2 Ų247.2 Ų47.21%0.0124%0.241CC..Hα-helixtrans-70.4-37.5174.9-70.8165000111.7V727 V770 A789 I791 G813 L814 K815 A820 A821 V828 L853V727-I817 HydrophobicContact CG1-CD1 3.78Å; V727-I817 HydrophobicContact CG2-CD1 4Å; V727-I817 HydrophobicContact CG2-CG2 4.4Å; V770-I817 HydrophobicContact CG1-CD1 4.17Å; V770-I817 HydrophobicContact CG1-CG1 3.93Å; V770-I817 HydrophobicContact CG2-CG1 4.4Å; A789-I817 HydrophobicContact CB-CD1 4.14Å; A789-I817 HydrophobicContact CB-CG1 4.25Å; I791-I817 HydrophobicContact CD1-CD1 3.57Å; I791-I817 HydrophobicContact CG1-CD1 3.74Å; G813-I817 WeakPolarHBondContact O-CG1 3.38Å; G813-I817 PolarHBondContact O-N 3.14Å; L814-I817 PolarHBondContact O-N 3.43Å; K815-I817 VanDerWaalsContact C-N 3.28Å; K815-I817 PolarHBondContact O-N 3.39Å; I817-A820 PolarHBondContact O-N 2.79Å; I817-A821 VanDerWaalsContact O-CB 3.22Å; I817-A821 WeakPolarHBondContact O-CB 3.31Å; I817-A821 PolarHBondContact O-N 3.17Å; I817-V828 HydrophobicContact CG2-CG1 4.48Å; I817-V828 HydrophobicContact CG2-CG2 4.27Å; I817-L853 HydrophobicContact CG2-CD2 4.35Å
818Y85.5Confident83.2Confident27 Ų2744 Ų4411%0.10623%0.225CC..Hα-helixtrans-56.6-55175.6168.7-103.1000111.5L814 K815 A820 A821 K822 H852 R856 I858L814-Y818 PolarHBondContact O-N 3.08Å; K815-Y818 WeakPolarHBondContact O-CB 3.46Å; K815-Y818 PolarHBondContact O-N 3.01Å; K815-Y818 VanDerWaalsContact O-N 3.13Å; Y818-A820 VanDerWaalsContact C-N 3.3Å; Y818-A820 PolarHBondContact O-N 3.41Å; Y818-A821 PolarHBondContact O-N 3.33Å; Y818-A821 VanDerWaalsContact O-N 3.12Å; Y818-K822 HydrophobicContact CE1-CD 4.2Å; Y818-K822 WeakPolarHBondContact O-CB 3.36Å; Y818-K822 PolarHBondContact O-N 2.97Å; Y818-H852 WeakPolarHBondContact CB-O 3.46Å; Y818-H852 VanDerWaalsContact CD2-O 3.31Å; Y818-H852 WeakPolarHBondContact CD2-O 3.48Å; Y818-R856 HydrophobicContact CD2-CB 4.05Å; Y818-R856 HydrophobicContact CE2-CB 3.39Å; Y818-R856 HydrophobicContact CE2-CG 4.17Å; Y818-I858 HydrophobicContact CD2-CD1 3.41Å; Y818-I858 VanDerWaalsContact CD2-CD1 3.41Å; Y818-I858 HydrophobicContact CD2-CG1 4.03Å; Y818-I858 HydrophobicContact CE2-CD1 3.81Å; Y818-I858 HydrophobicContact CE2-CG1 4.12Å; Y818-I858 HydrophobicContact CG-CD1 4.38Å
819S83.1Confident83.4Confident41 Ų4140.1 Ų40.129%0.28720%0.198SC..Hα-helixtrans-64.1-34.8-178.2-46.30000112.1K815 K823K815-S819 PolarHBondContact O-N 2.75Å; S819-K823 VanDerWaalsContact O-CB 3.23Å; S819-K823 WeakPolarHBondContact O-CB 3.41Å; S819-K823 PolarHBondContact O-N 2.82Å; S819-K823 VanDerWaalsContact O-N 3.09Å
820A81.5Confident83.5Confident12 Ų1240 Ų4010%0.09920%0.196CC..Hα-helixtrans-68.2-38.9173.200000113.2L675 L772 K816 I817 Y818 N824L675-A820 HydrophobicContact CD1-CB 3.83Å; L675-A820 HydrophobicContact CD2-CB 4.29Å; L772-A820 HydrophobicContact CD2-CB 4.5Å; K816-A820 PolarHBondContact O-N 3.24Å; I817-A820 PolarHBondContact O-N 2.79Å; Y818-A820 VanDerWaalsContact C-N 3.3Å; Y818-A820 PolarHBondContact O-N 3.41Å; A820-N824 WeakPolarHBondContact O-CB 3.39Å; A820-N824 PolarHBondContact O-N 2.86Å
821A83Confident83.3Confident2 Ų240.9 Ų40.92%0.01720%0.202CC..Hα-helixtrans-73-40.2178.200000112.4I725 I817 Y818 K823 N824 N825 A826 V828 I858I725-A821 HydrophobicContact CD1-CB 3.95Å; I817-A821 VanDerWaalsContact O-CB 3.22Å; I817-A821 WeakPolarHBondContact O-CB 3.31Å; I817-A821 PolarHBondContact O-N 3.17Å; Y818-A821 PolarHBondContact O-N 3.33Å; Y818-A821 VanDerWaalsContact O-N 3.12Å; A821-K823 VanDerWaalsContact C-N 3.34Å; A821-K823 PolarHBondContact O-N 3.14Å; A821-N824 PolarHBondContact O-N 3.38Å; A821-N825 WeakPolarHBondContact O-CA 3.39Å; A821-N825 PolarHBondContact O-N 3.37Å; A821-A826 PolarHBondContact O-N 3.32Å; A821-A826 VanDerWaalsContact O-N 3.09Å; A821-V828 HydrophobicContact CB-CG2 4Å; A821-I858 HydrophobicContact CB-CD1 3.59Å; A821-I858 HydrophobicContact CB-CG2 4.22Å
822K82.8Confident83Confident117 Ų11743.8 Ų43.851%0.50921%0.21SC..Hα-helixtrans-56.3-47.9170.3-168.9-177.7-173.7-176.60110D686 Y818 N825D686-K822 IonicContact OD2-NZ 3.61Å; Y818-K822 HydrophobicContact CE1-CD 4.2Å; Y818-K822 WeakPolarHBondContact O-CB 3.36Å; Y818-K822 PolarHBondContact O-N 2.97Å; K822-N825 PolarHBondContact O-N 3.07Å
823K82.3Confident82.5Confident178 Ų17839.9 Ų39.977%0.77419%0.193SC*.Hα-helixtrans-67.3-35.8-179.1-172.9168.1-173.3164.30114.6S819 A821S819-K823 VanDerWaalsContact O-CB 3.23Å; S819-K823 WeakPolarHBondContact O-CB 3.41Å; S819-K823 PolarHBondContact O-N 2.82Å; S819-K823 VanDerWaalsContact O-N 3.09Å; A821-K823 VanDerWaalsContact C-N 3.34Å; A821-K823 PolarHBondContact O-N 3.14Å
824N76.3Confident81.4Confident61 Ų6140.5 Ų40.533%0.32620%0.199SC..Hα-helixtrans-94.5-2.8-180-66.3-11000113.4Q787 A820 A821 A826Q787-N824 PolarHBondContact NE2-ND2 3.47Å; Q787-N824 PolarHBondContact OE1-ND2 3.2Å; A820-N824 WeakPolarHBondContact O-CB 3.39Å; A820-N824 PolarHBondContact O-N 2.86Å; A821-N824 PolarHBondContact O-N 3.38Å; N824-A826 VanDerWaalsContact C-N 3.26Å; N824-A826 HydrophobicContact CB-CB 4.05Å; N824-A826 PolarHBondContact O-N 3.18Å
825N80Confident80.1Confident145 Ų14547.6 Ų47.678%0.77523%0.231SC*.THydrogen-bonded Turntrans47.347-169.5-165.918.6000112.7A821 K822A821-N825 WeakPolarHBondContact O-CA 3.39Å; A821-N825 PolarHBondContact O-N 3.37Å; K822-N825 PolarHBondContact O-N 3.07Å
826A82.1Confident78.6Confident3 Ų349 Ų493%0.02525%0.252CS..  trans-108142.9-167.400000113D723 I725 A821 N824D723-A826 HydrophobicContact CB-CB 4.09Å; D723-A826 CarbonylContact O-C 3.59Å; D723-A826 WeakPolarHBondContact O-CA 3.36Å; I725-A826 HydrophobicContact CD1-CB 3.86Å; I725-A826 HydrophobicContact CG1-CB 3.94Å; A821-A826 PolarHBondContact O-N 3.32Å; A821-A826 VanDerWaalsContact O-N 3.09Å; N824-A826 VanDerWaalsContact C-N 3.26Å; N824-A826 HydrophobicContact CB-CB 4.05Å; N824-A826 PolarHBondContact O-N 3.18Å
827S85.4Confident77.5Confident11 Ų1149.9 Ų49.98%0.07726%0.26CS..EExtended strand (participates in β ladder)trans-78.5145.6174.958.10000111.6D723 A724 I725 H829D723-S827 PolarHBondContact O-N 2.73Å; D723-S827 PolarHBondContact O-OG 2.85Å; A724-S827 CarbonylContact C-O 3.57Å; A724-S827 WeakPolarHBondContact CA-O 3.26Å; I725-S827 PolarHBondContact N-O 2.89Å; S827-H829 PolarHBondContact O-CD2 2.94Å
828V87.1Confident75.8Confident1 Ų159.8 Ų59.81%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-108.5123-174.9178.70000111.2V727 I817 A821 L830 L853 I858 P859 T860 F861V727-V828 HydrophobicContact CG2-CG1 3.69Å; I817-V828 HydrophobicContact CG2-CG1 4.48Å; I817-V828 HydrophobicContact CG2-CG2 4.27Å; A821-V828 HydrophobicContact CB-CG2 4Å; V828-L830 HydrophobicContact CG1-CD1 4.07Å; V828-L830 HydrophobicContact CG1-CG 4.35Å; V828-L853 HydrophobicContact CB-CD1 4.49Å; V828-L853 HydrophobicContact CG1-CD1 3.96Å; V828-I858 HydrophobicContact CB-CG2 4.42Å; V828-I858 HydrophobicContact CG2-CG2 3.71Å; V828-P859 PolarHBondContact N-O 2.82Å; V828-T860 HydrophobicContact CB-CG2 4.24Å; V828-T860 WeakPolarHBondContact O-CA 3.49Å; V828-F861 PolarHBondContact O-N 3.32Å
829H86Confident74.4Confident0 Ų062.8 Ų62.80%034%0.342CS..EExtended strand (participates in β ladder)trans-118.4118.9-172-66.1-104.3000111V714 P717 T719 I725 I726 V727 S827 F861 Y863V714-H829 HydrophobicContact CG1-CB 4.33Å; P717-H829 VanDerWaalsContact CB-CE1 3.46Å; P717-H829 WeakPolarHBondContact CB-CE1 2.9Å; P717-H829 WeakPolarHBondContact CB-ND1 3.39Å; T719-H829 WeakPolarHBondContact CG2-NE2 3.28Å; I725-H829 PolarHBondContact O-N 3.44Å; I726-H829 WeakPolarHBondContact CA-O 3.4Å; I726-H829 HydrophobicContact CG1-CB 4.41Å; V727-H829 PolarHBondContact N-O 2.82Å; S827-H829 PolarHBondContact O-CD2 2.94Å; H829-F861 AromaticContact NE2-CD2 3.54Å; H829-F861 AromaticContact NE2-CE2 3.82Å; H829-F861 AromaticContact NE2-CG 3.77Å; H829-Y863 HydrophobicContact CB-CE2 4.12Å; H829-Y863 AromaticContact CE1-CD2 3.91Å; H829-Y863 AromaticContact CE1-CE1 3.94Å; H829-Y863 AromaticContact CE1-CE2 2.62Å; H829-Y863 WeakPolarHBondContact CE1-CE2 3.32Å; H829-Y863 AromaticContact CE1-CZ 2.65Å; H829-Y863 PolarHBondContact CE1-OH 3.44Å; H829-Y863 AromaticContact ND1-CE2 3.44Å; H829-Y863 WeakPolarHBondContact ND1-CE2 3.3Å; H829-Y863 AromaticContact ND1-CZ 3.62Å; H829-Y863 PolarHBondContact ND1-OH 3.41Å; H829-Y863 PolarHBondContact NE2-OH 3.16Å
830L83.8Confident73.8Confident1 Ų162.6 Ų62.61%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-122133.3-170.4-77.6145.7000111.5V727 V828 I833 I849 F861 I862 Y863V727-L830 HydrophobicContact CB-CD2 3.64Å; V727-L830 HydrophobicContact CB-CG 4.11Å; V727-L830 HydrophobicContact CG1-CD2 3.72Å; V727-L830 HydrophobicContact CG2-CD2 4.39Å; V828-L830 HydrophobicContact CG1-CD1 4.07Å; V828-L830 HydrophobicContact CG1-CG 4.35Å; L830-I833 HydrophobicContact CD2-CD1 3.76Å; L830-I849 HydrophobicContact CD1-CD1 4.25Å; L830-I849 HydrophobicContact CD1-CG1 4.5Å; L830-I849 HydrophobicContact CD1-CG2 4.11Å; L830-F861 PolarHBondContact N-O 2.63Å; L830-I862 HydrophobicContact CB-CG1 4.25Å; L830-I862 WeakPolarHBondContact O-CA 3.44Å; L830-Y863 PolarHBondContact O-N 3.04Å
831P80.3Confident73.3Confident20 Ų2066.3 Ų66.313%0.1335%0.354CS..EExtended strand (participates in β ladder)trans-67.2162.7159.930.6-32.3000109.6V714 V727 L741 I833V714-P831 HydrophobicContact CG2-CB 3.89Å; V727-P831 WeakPolarHBondContact O-CD 3.46Å; L741-P831 HydrophobicContact CD2-CG 4.19Å; P831-I833 VanDerWaalsContact C-N 3.27Å; P831-I833 PolarHBondContact O-N 3.22Å
832R76.6Confident73Confident93 Ų9367.9 Ų67.935%0.35136%0.36SS..  trans-67.786.5164.6-163-175.5-166.7178.96.6111.4W842 Y863R832-W842 HydrophobicContact CB-CZ3 4.35Å; R832-W842 HydrophobicContact CG-CD2 4.28Å; R832-W842 HydrophobicContact CG-CE3 3.73Å; R832-W842 HydrophobicContact CG-CH2 3.84Å; R832-W842 HydrophobicContact CG-CZ2 4.34Å; R832-W842 HydrophobicContact CG-CZ3 3.51Å; R832-Y863 PolarHBondContact N-O 3.18Å
833I72.8Confident72.4Confident12 Ų1270.7 Ų70.76%0.06237%0.368CS..THydrogen-bonded Turntrans-47.3140.9176.6-63.8168.6000111I805 L830 P831 H835 F840 W842I805-I833 HydrophobicContact CD1-CG2 3.41Å; I805-I833 VanDerWaalsContact CD1-CG2 3.41Å; L830-I833 HydrophobicContact CD2-CD1 3.76Å; P831-I833 VanDerWaalsContact C-N 3.27Å; P831-I833 PolarHBondContact O-N 3.22Å; I833-H835 PolarHBondContact O-N 3.36Å; I833-F840 HydrophobicContact CB-CZ 4.44Å; I833-F840 HydrophobicContact CG2-CE1 4.35Å; I833-F840 HydrophobicContact CG2-CE2 4.35Å; I833-F840 HydrophobicContact CG2-CZ 3.73Å; I833-F840 VanDerWaalsContact O-CE1 3.22Å; I833-F840 WeakPolarHBondContact O-CE1 3.32Å; I833-W842 HydrophobicContact CB-CZ3 4.29Å
834G61Low71.9Confident12 Ų1263.1 Ų63.112%0.12434%0.34CS..THydrogen-bonded Turntrans681.4167.500000117.3S836 T837G834-S836 PolarHBondContact O-N 3.32Å; G834-T837 WeakPolarHBondContact O-CB 3.29Å; G834-T837 PolarHBondContact O-N 2.95Å
835H58.3Low72Confident151 Ų15160.2 Ų60.270%0.69933%0.325SS*.THydrogen-bonded Turntrans-56.2-27.3-179.1178.946.2000114.6I833I833-H835 PolarHBondContact O-N 3.36Å
836S54.7Low71.9Confident118 Ų11855.3 Ų55.383%0.82530%0.297SS*.THydrogen-bonded Turntrans-91.7-3.2174.851.10000114.7G834G834-S836 PolarHBondContact O-N 3.32Å
837T60.2Low71.6Confident40 Ų4063.9 Ų63.925%0.24533%0.329CS..SBendtrans-97.4122-171.9-55.90000110.3G834 G839 F840G834-T837 WeakPolarHBondContact O-CB 3.29Å; G834-T837 PolarHBondContact O-N 2.95Å; T837-G839 PolarHBondContact O-N 3.4Å; T837-F840 HydrophobicContact CG2-CB 4.21Å; T837-F840 WeakPolarHBondContact O-CB 3.37Å; T837-F840 PolarHBondContact O-N 3.05Å
838K50.1Low71.3Confident210 Ų21065 Ų6591%0.91333%0.334SS*.THydrogen-bonded Turntrans-65131.8178.7-66.4-179.8179.4177.10110.1
839G55.6Low71.1Confident90 Ų9065 Ų6593%0.92833%0.334SS*.THydrogen-bonded Turntrans78.59.9178.500000115.5T837T837-G839 PolarHBondContact O-N 3.4Å
840F70.3Confident70.7Confident38 Ų3869.8 Ų69.817%0.16735%0.352CS..  trans-78.8126.9-177.3178-102.2000113.6I805 I833 T837 W842 T845I805-F840 HydrophobicContact CB-CD2 4.08Å; I805-F840 HydrophobicContact CB-CE2 3.79Å; I805-F840 HydrophobicContact CD1-CD2 4.19Å; I805-F840 HydrophobicContact CD1-CE2 3.83Å; I805-F840 HydrophobicContact CD1-CZ 4.33Å; I805-F840 HydrophobicContact CG1-CD2 4.41Å; I805-F840 HydrophobicContact CG1-CE2 4.27Å; I805-F840 HydrophobicContact CG2-CE2 4.19Å; I833-F840 HydrophobicContact CB-CZ 4.44Å; I833-F840 HydrophobicContact CG2-CE1 4.35Å; I833-F840 HydrophobicContact CG2-CE2 4.35Å; I833-F840 HydrophobicContact CG2-CZ 3.73Å; I833-F840 VanDerWaalsContact O-CE1 3.22Å; I833-F840 WeakPolarHBondContact O-CE1 3.32Å; T837-F840 HydrophobicContact CG2-CB 4.21Å; T837-F840 WeakPolarHBondContact O-CB 3.37Å; T837-F840 PolarHBondContact O-N 3.05Å; F840-W842 HydrophobicContact CE1-CB 4.39Å; F840-W842 HydrophobicContact CE1-CE3 4.2Å; F840-W842 PolarHBondContact O-N 3.27Å; F840-T845 HydrophobicContact CZ-CG2 4.06Å; F840-T845 WeakPolarHBondContact CZ-OG1 3.5Å
841N71.7Confident70.6Confident90 Ų9075.3 Ų75.348%0.48138%0.376SS..  trans-86.793.6178.4-173-8.2000111.8Y843 G844 T845N841-Y843 VanDerWaalsContact C-N 3.33Å; N841-Y843 PolarHBondContact O-N 3.11Å; N841-Y843 PolarHBondContact OD1-N 3.03Å; N841-G844 PolarHBondContact OD1-N 2.89Å; N841-T845 PolarHBondContact O-N 3.25Å; N841-T845 PolarHBondContact O-OG1 2.84Å
842W75.9Confident70.6Confident34 Ų3474.7 Ų74.713%0.12937%0.371CS..Hα-helixtrans-61.7-37.5173.3175.8-93.3000112.8R832 I833 F840 T845 E846 I862R832-W842 HydrophobicContact CB-CZ3 4.35Å; R832-W842 HydrophobicContact CG-CD2 4.28Å; R832-W842 HydrophobicContact CG-CE3 3.73Å; R832-W842 HydrophobicContact CG-CH2 3.84Å; R832-W842 HydrophobicContact CG-CZ2 4.34Å; R832-W842 HydrophobicContact CG-CZ3 3.51Å; I833-W842 HydrophobicContact CB-CZ3 4.29Å; F840-W842 HydrophobicContact CE1-CB 4.39Å; F840-W842 HydrophobicContact CE1-CE3 4.2Å; F840-W842 PolarHBondContact O-N 3.27Å; W842-T845 WeakPolarHBondContact O-CB 3.24Å; W842-T845 PolarHBondContact O-N 3.04Å; W842-E846 HydrophobicContact CZ2-CB 4.49Å; W842-E846 PolarHBondContact NE1-OE2 2.83Å; W842-E846 WeakPolarHBondContact O-CB 3.36Å; W842-E846 PolarHBondContact O-N 3.22Å; W842-I862 HydrophobicContact CH2-CD1 4.02Å; W842-I862 HydrophobicContact CH2-CG2 3.89Å; W842-I862 HydrophobicContact CZ2-CD1 4Å; W842-I862 HydrophobicContact CZ2-CG2 4.24Å
843Y70.3Confident70.9Confident177 Ų17770.3 Ų70.369%0.69436%0.355SS*.Hα-helixtrans-67.3-41.8-175.8179.9-105.9000112.3N841 T845 E846 R847N841-Y843 VanDerWaalsContact C-N 3.33Å; N841-Y843 PolarHBondContact O-N 3.11Å; N841-Y843 PolarHBondContact OD1-N 3.03Å; Y843-T845 VanDerWaalsContact C-N 3.32Å; Y843-T845 PolarHBondContact O-N 3.39Å; Y843-E846 PolarHBondContact O-N 3.19Å; Y843-R847 PolarHBondContact O-N 3.36Å
844G71.8Confident70.9Confident18 Ų1869.9 Ų69.919%0.18635%0.353CS..Hα-helixtrans-60.4-42.7170.800000111.9N841 R847 L848N841-G844 PolarHBondContact OD1-N 2.89Å; G844-R847 PolarHBondContact O-N 2.88Å; G844-L848 WeakPolarHBondContact O-CG 3.32Å; G844-L848 PolarHBondContact O-N 3.32Å; G844-L848 VanDerWaalsContact O-N 3.1Å
845T78.6Confident71.6Confident0 Ų073.2 Ų73.20%037%0.374CS..Hα-helixtrans-63.2-45177.6-57.40000112.6L810 F840 N841 W842 Y843 R847 L848 I849L810-T845 HydrophobicContact CD2-CG2 3.83Å; F840-T845 HydrophobicContact CZ-CG2 4.06Å; F840-T845 WeakPolarHBondContact CZ-OG1 3.5Å; N841-T845 PolarHBondContact O-N 3.25Å; N841-T845 PolarHBondContact O-OG1 2.84Å; W842-T845 WeakPolarHBondContact O-CB 3.24Å; W842-T845 PolarHBondContact O-N 3.04Å; Y843-T845 VanDerWaalsContact C-N 3.32Å; Y843-T845 PolarHBondContact O-N 3.39Å; T845-R847 VanDerWaalsContact C-N 3.3Å; T845-R847 PolarHBondContact O-N 3.23Å; T845-L848 PolarHBondContact O-N 3.29Å; T845-I849 HydrophobicContact CG2-CD1 3.9Å; T845-I849 WeakPolarHBondContact O-CG1 3.5Å; T845-I849 PolarHBondContact O-N 2.99Å
846E77.8Confident72.4Confident42 Ų4270 Ų7020%0.19636%0.356CS..Hα-helixtrans-63.5-35.4176.6-174.9172.8175.700111.6I707 Y709 W842 Y843 R850I707-E846 HydrophobicContact CD1-CG 4.43Å; Y709-E846 PolarHBondContact OH-OE1 2.95Å; Y709-E846 PolarHBondContact OH-OE2 3.37Å; W842-E846 HydrophobicContact CZ2-CB 4.49Å; W842-E846 PolarHBondContact NE1-OE2 2.83Å; W842-E846 WeakPolarHBondContact O-CB 3.36Å; W842-E846 PolarHBondContact O-N 3.22Å; Y843-E846 PolarHBondContact O-N 3.19Å; E846-R850 VanDerWaalsContact O-CB 3.3Å; E846-R850 WeakPolarHBondContact O-CB 3.17Å; E846-R850 PolarHBondContact O-N 3.14Å
847R75.9Confident73.4Confident184 Ų18468.9 Ų68.969%0.69434%0.341SS*.Hα-helixtrans-65.4-39.8173.3-170.9177.2179.5-170.4-2.2112.5Y843 G844 T845 R850 K851Y843-R847 PolarHBondContact O-N 3.36Å; G844-R847 PolarHBondContact O-N 2.88Å; T845-R847 VanDerWaalsContact C-N 3.3Å; T845-R847 PolarHBondContact O-N 3.23Å; R847-R850 PolarHBondContact O-N 2.96Å; R847-K851 WeakPolarHBondContact O-CB 3.35Å; R847-K851 PolarHBondContact O-N 3.47Å
848L79.1Confident74.3Confident33 Ų3367.5 Ų67.517%0.17333%0.332CS..Hα-helixtrans-67.8-44.4175.7-63-177.8000112L807 D811 L814 G844 T845 R850 K851 H852L807-L848 HydrophobicContact CB-CD1 4.32Å; L807-L848 HydrophobicContact CD2-CD1 4.35Å; D811-L848 HydrophobicContact CB-CD1 4.33Å; D811-L848 WeakPolarHBondContact OD1-CD2 3.4Å; L814-L848 HydrophobicContact CD1-CB 3.93Å; G844-L848 WeakPolarHBondContact O-CG 3.32Å; G844-L848 PolarHBondContact O-N 3.32Å; G844-L848 VanDerWaalsContact O-N 3.1Å; T845-L848 PolarHBondContact O-N 3.29Å; L848-R850 VanDerWaalsContact C-N 3.29Å; L848-R850 PolarHBondContact O-N 3.31Å; L848-K851 PolarHBondContact O-N 3.33Å; L848-H852 PolarHBondContact O-N 3.37Å
849I81.9Confident75.7Confident1 Ų160 Ų601%0.00530%0.304CS..Hα-helixtrans-60.2-41.1174.5-67.7164.5000110.5I707 L814 L830 T845 L853 A854I707-I849 HydrophobicContact CD1-CG2 4.1Å; L814-I849 HydrophobicContact CD1-CG1 3.99Å; L814-I849 HydrophobicContact CD2-CG1 4.3Å; L830-I849 HydrophobicContact CD1-CD1 4.25Å; L830-I849 HydrophobicContact CD1-CG1 4.5Å; L830-I849 HydrophobicContact CD1-CG2 4.11Å; T845-I849 HydrophobicContact CG2-CD1 3.9Å; T845-I849 WeakPolarHBondContact O-CG1 3.5Å; T845-I849 PolarHBondContact O-N 2.99Å; I849-L853 WeakPolarHBondContact O-CB 3.12Å; I849-L853 PolarHBondContact O-N 3.03Å; I849-A854 PolarHBondContact O-N 3.11Å
850R79Confident77.1Confident101 Ų10155.7 Ų55.738%0.38126%0.26SS..Hα-helixtrans-63.4-50.3175.5-170.8172.9-74.6-92-1.8111.2D706 I707 E846 R847 L848 H852 A854 S855D706-R850 IonicContact OD1-CZ 2.66Å; D706-R850 IonicContact OD1-NH1 2.68Å; D706-R850 PolarHBondContact OD1-NH1 3.44Å; D706-R850 IonicContact OD1-NH2 3.32Å; D706-R850 PolarHBondContact OD1-NH2 3.43Å; I707-R850 HydrophobicContact CD1-CB 4.03Å; E846-R850 VanDerWaalsContact O-CB 3.3Å; E846-R850 WeakPolarHBondContact O-CB 3.17Å; E846-R850 PolarHBondContact O-N 3.14Å; R847-R850 PolarHBondContact O-N 2.96Å; L848-R850 VanDerWaalsContact C-N 3.29Å; L848-R850 PolarHBondContact O-N 3.31Å; R850-H852 PolarHBondContact O-N 3.02Å; R850-A854 HydrophobicContact CG-CB 4.44Å; R850-A854 PolarHBondContact O-N 2.83Å; R850-S855 PolarHBondContact O-N 2.73Å; R850-S855 PolarHBondContact O-OG 3.09Å
851K80.9Confident77.8Confident118 Ų11854.8 Ų54.851%0.51326%0.256SS..Hα-helixtrans-59-45.4-177.7-175.7-170.7174-164.70113.6R847 L848 S855R847-K851 WeakPolarHBondContact O-CB 3.35Å; R847-K851 PolarHBondContact O-N 3.47Å; L848-K851 PolarHBondContact O-N 3.33Å; K851-S855 WeakPolarHBondContact CA-OG 3.48Å; K851-S855 PolarHBondContact O-OG 3.28Å
852H81.2Confident78.3Confident7 Ų750.5 Ų50.53%0.03223%0.233CC..Hα-helixtrans-100.7-9.8-169-71.1-64.8000115.1D811 L814 K815 Y818 L848 R850D811-H852 IonicContact OD1-CD2 3.28Å; D811-H852 PolarHBondContact OD1-CD2 3.21Å; D811-H852 IonicContact OD1-NE2 2.65Å; D811-H852 PolarHBondContact OD1-NE2 3.48Å; D811-H852 IonicContact OD2-NE2 2.75Å; D811-H852 PolarHBondContact OD2-NE2 3.41Å; L814-H852 HydrophobicContact CB-CB 4.27Å; K815-H852 WeakPolarHBondContact CE-CE1 3.37Å; Y818-H852 WeakPolarHBondContact CB-O 3.46Å; Y818-H852 VanDerWaalsContact CD2-O 3.31Å; Y818-H852 WeakPolarHBondContact CD2-O 3.48Å; L848-H852 PolarHBondContact O-N 3.37Å; R850-H852 PolarHBondContact O-N 3.02Å
853L81Confident78.4Confident0 Ų049.1 Ų49.10%023%0.228CC..THydrogen-bonded Turntrans-128.6-58.3178.6-60.3172.2000112L814 I817 V828 I849 R856 I858 T860L814-L853 HydrophobicContact CD2-CD1 3.84Å; I817-L853 HydrophobicContact CG2-CD2 4.35Å; V828-L853 HydrophobicContact CB-CD1 4.49Å; V828-L853 HydrophobicContact CG1-CD1 3.96Å; I849-L853 WeakPolarHBondContact O-CB 3.12Å; I849-L853 PolarHBondContact O-N 3.03Å; L853-R856 CarbonylContact O-C 3.56Å; L853-R856 PolarHBondContact O-N 2.79Å; L853-I858 HydrophobicContact CB-CB 4.41Å; L853-I858 HydrophobicContact CD2-CD1 4.22Å; L853-I858 PolarHBondContact O-N 2.94Å; L853-T860 HydrophobicContact CB-CG2 3.51Å; L853-T860 HydrophobicContact CD1-CG2 3.95Å; L853-T860 HydrophobicContact CG-CG2 4.37Å
854A73.8Confident78.5Confident3 Ų344.2 Ų44.23%0.02521%0.209CC..G310 helixtrans-72-37-170.500000113.7I707 I849 R850 R856I707-A854 HydrophobicContact CD1-CB 4.29Å; I707-A854 HydrophobicContact CG1-CB 3.61Å; I849-A854 PolarHBondContact O-N 3.11Å; R850-A854 HydrophobicContact CG-CB 4.44Å; R850-A854 PolarHBondContact O-N 2.83Å; A854-R856 VanDerWaalsContact C-N 3.26Å; A854-R856 PolarHBondContact O-N 3.47Å
855S75.6Confident77.7Confident82 Ų8249.6 Ų49.657%0.57323%0.229SC*.G310 helixtrans-82.92.2173.359.10000114.1R850 K851R850-S855 PolarHBondContact O-N 2.73Å; R850-S855 PolarHBondContact O-OG 3.09Å; K851-S855 WeakPolarHBondContact CA-OG 3.48Å; K851-S855 PolarHBondContact O-OG 3.28Å
856R75.8Confident75.8Confident85 Ų8554.1 Ų54.132%0.32126%0.261SS..G310 helixtrans-115.636.2169-64.6-174.7163.4-174.4-5.3110.2E687 Y818 L853 A854 I858E687-R856 IonicContact OE1-NH2 3.71Å; E687-R856 PolarHBondContact OE1-NH2 3.12Å; E687-R856 VanDerWaalsContact OE1-NH2 3.11Å; Y818-R856 HydrophobicContact CD2-CB 4.05Å; Y818-R856 HydrophobicContact CE2-CB 3.39Å; Y818-R856 HydrophobicContact CE2-CG 4.17Å; L853-R856 CarbonylContact O-C 3.56Å; L853-R856 PolarHBondContact O-N 2.79Å; A854-R856 VanDerWaalsContact C-N 3.26Å; A854-R856 PolarHBondContact O-N 3.47Å; R856-I858 VanDerWaalsContact C-N 3.25Å; R856-I858 WeakPolarHBondContact O-CG1 3.49Å; R856-I858 PolarHBondContact O-N 2.76Å
857D74.1Confident74.1Confident94 Ų9462.5 Ų62.550%0.50329%0.291SS..THydrogen-bonded Turntrans51.918.8176.4-86.4-34.1000118.7S704 T705 P859S704-D857 WeakPolarHBondContact CB-OD1 3.45Å; T705-D857 VanDerWaalsContact CB-OD1 3.31Å; T705-D857 WeakPolarHBondContact CB-OD1 3.07Å; T705-D857 PolarHBondContact OG1-OD1 3.49Å; D857-P859 WeakPolarHBondContact O-CD 3.42Å
858I79.6Confident72Confident11 Ų1158.2 Ų58.26%0.05629%0.294CS..  trans-80.4124.6175.6-55.5-155.2000111Y818 A821 V828 L853 R856 T860Y818-I858 HydrophobicContact CD2-CD1 3.41Å; Y818-I858 VanDerWaalsContact CD2-CD1 3.41Å; Y818-I858 HydrophobicContact CD2-CG1 4.03Å; Y818-I858 HydrophobicContact CE2-CD1 3.81Å; Y818-I858 HydrophobicContact CE2-CG1 4.12Å; Y818-I858 HydrophobicContact CG-CD1 4.38Å; A821-I858 HydrophobicContact CB-CD1 3.59Å; A821-I858 HydrophobicContact CB-CG2 4.22Å; V828-I858 HydrophobicContact CB-CG2 4.42Å; V828-I858 HydrophobicContact CG2-CG2 3.71Å; L853-I858 HydrophobicContact CB-CB 4.41Å; L853-I858 HydrophobicContact CD2-CD1 4.22Å; L853-I858 PolarHBondContact O-N 2.94Å; R856-I858 VanDerWaalsContact C-N 3.25Å; R856-I858 WeakPolarHBondContact O-CG1 3.49Å; R856-I858 PolarHBondContact O-N 2.76Å; I858-T860 PolarHBondContact O-N 2.99Å
859P80.6Confident69.6Low51 Ų5163 Ų6333%0.33133%0.325SS..  trans-61.8105.1177.4-23.534.6000112V828 D857 F861V828-P859 PolarHBondContact N-O 2.82Å; D857-P859 WeakPolarHBondContact O-CD 3.42Å; P859-F861 HydrophobicContact CB-CE2 4.02Å
860T84Confident67.1Low1 Ų172 Ų721%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-107.5128.7-175.2380000111.8R708 V828 L853 I858R708-T860 PolarHBondContact N-O 2.73Å; V828-T860 HydrophobicContact CB-CG2 4.24Å; V828-T860 WeakPolarHBondContact O-CA 3.49Å; L853-T860 HydrophobicContact CB-CG2 3.51Å; L853-T860 HydrophobicContact CD1-CG2 3.95Å; L853-T860 HydrophobicContact CG-CG2 4.37Å; I858-T860 PolarHBondContact O-N 2.99Å
861F84.4Confident64.6Low18 Ų1876.9 Ų76.98%0.07939%0.387CS..EExtended strand (participates in β ladder)trans-123.7124.7-178.5-62.8-93.3000111R708 V710 T719 V828 H829 L830 P859 Y863R708-F861 HydrophobicContact CB-CD1 3.68Å; R708-F861 HydrophobicContact CB-CE1 3.97Å; R708-F861 HydrophobicContact CB-CG 4.4Å; R708-F861 HydrophobicContact CG-CE1 4.36Å; R708-F861 CarbonylContact O-C 3.51Å; R708-F861 VanDerWaalsContact O-CA 3.28Å; R708-F861 WeakPolarHBondContact O-CA 3.44Å; V710-F861 HydrophobicContact CG2-CB 4.5Å; V710-F861 HydrophobicContact CG2-CD1 3.88Å; T719-F861 HydrophobicContact CG2-CE2 3.81Å; T719-F861 HydrophobicContact CG2-CZ 3.93Å; V828-F861 PolarHBondContact O-N 3.32Å; H829-F861 AromaticContact NE2-CD2 3.54Å; H829-F861 AromaticContact NE2-CE2 3.82Å; H829-F861 AromaticContact NE2-CG 3.77Å; L830-F861 PolarHBondContact N-O 2.63Å; P859-F861 HydrophobicContact CB-CE2 4.02Å; F861-Y863 HydrophobicContact CB-CD2 4.4Å; F861-Y863 HydrophobicContact CB-CE2 3.66Å
862I83.1Confident62.1Low0 Ų078 Ų780%040%0.404CS..EExtended strand (participates in β ladder)trans-114.2123.7177.9-57.9-177.6000110.4I707 R708 Y709 V710 L830 W842I707-I862 HydrophobicContact CG2-CD1 3.56Å; I707-I862 HydrophobicContact CG2-CG1 3.79Å; R708-I862 PolarHBondContact O-N 3.31Å; Y709-I862 WeakPolarHBondContact CA-O 3.11Å; Y709-I862 HydrophobicContact CD1-CB 3.72Å; Y709-I862 HydrophobicContact CD1-CG2 4Å; Y709-I862 HydrophobicContact CE1-CB 3.67Å; Y709-I862 HydrophobicContact CE1-CD1 3.96Å; Y709-I862 HydrophobicContact CE1-CG1 4.33Å; Y709-I862 HydrophobicContact CE1-CG2 3.75Å; V710-I862 PolarHBondContact N-O 2.82Å; L830-I862 HydrophobicContact CB-CG1 4.25Å; L830-I862 WeakPolarHBondContact O-CA 3.44Å; W842-I862 HydrophobicContact CH2-CD1 4.02Å; W842-I862 HydrophobicContact CH2-CG2 3.89Å; W842-I862 HydrophobicContact CZ2-CD1 4Å; W842-I862 HydrophobicContact CZ2-CG2 4.24Å
863Y78.4Confident59.6Low5 Ų582 Ų822%0.0244%0.439CS..EExtended strand (participates in β ladder)trans-100.9133.8-169.1-74.3-110.2000113.2V710 V714 H718 H829 L830 R832 F861V710-Y863 HydrophobicContact CB-CD1 4.28Å; V710-Y863 HydrophobicContact CB-CE1 4.25Å; V710-Y863 HydrophobicContact CB-CG 4.47Å; V710-Y863 HydrophobicContact CG1-CD1 4.2Å; V710-Y863 HydrophobicContact CG1-CE1 3.91Å; V710-Y863 CarbonylContact O-C 3.59Å; V710-Y863 WeakPolarHBondContact O-CA 3.29Å; V714-Y863 HydrophobicContact CB-CG 4.36Å; V714-Y863 HydrophobicContact CG1-CD2 4.01Å; V714-Y863 HydrophobicContact CG1-CG 4.26Å; V714-Y863 HydrophobicContact CG2-CG 4.08Å; H718-Y863 PolarHBondContact N-OH 2.88Å; H829-Y863 HydrophobicContact CB-CE2 4.12Å; H829-Y863 AromaticContact CE1-CD2 3.91Å; H829-Y863 AromaticContact CE1-CE1 3.94Å; H829-Y863 AromaticContact CE1-CE2 2.62Å; H829-Y863 WeakPolarHBondContact CE1-CE2 3.32Å; H829-Y863 AromaticContact CE1-CZ 2.65Å; H829-Y863 PolarHBondContact CE1-OH 3.44Å; H829-Y863 AromaticContact ND1-CE2 3.44Å; H829-Y863 WeakPolarHBondContact ND1-CE2 3.3Å; H829-Y863 AromaticContact ND1-CZ 3.62Å; H829-Y863 PolarHBondContact ND1-OH 3.41Å; H829-Y863 PolarHBondContact NE2-OH 3.16Å; L830-Y863 PolarHBondContact O-N 3.04Å; R832-Y863 PolarHBondContact N-O 3.18Å; F861-Y863 HydrophobicContact CB-CD2 4.4Å; F861-Y863 HydrophobicContact CB-CE2 3.66Å
864Y71.6Confident57Low74 Ų7487.4 Ų87.429%0.2948%0.477SS..EExtended strand (participates in β ladder)trans-106.2118.4169.8-67.5-82.2000110.8Y709 V710 L711 G712Y709-Y864 HydrophobicContact CD1-CD2 4.3Å; Y709-Y864 AromaticContact CD1-CE2 3.34Å; Y709-Y864 HydrophobicContact CD1-CE2 3.34Å; Y709-Y864 AromaticContact CD1-CZ 3.93Å; Y709-Y864 HydrophobicContact CE1-CE2 4.01Å; Y709-Y864 AromaticContact CG-CE2 3.97Å; Y709-Y864 HydrophobicContact CG-CE2 3.97Å; V710-Y864 PolarHBondContact O-N 2.78Å; L711-Y864 WeakPolarHBondContact CA-O 3.38Å; G712-Y864 PolarHBondContact N-O 3.05Å
865H54.7Low54.8Low132 Ų13296.3 Ų96.361%0.61152%0.517SS*.  trans-93.5107.4171.4179-59.1000110.3R867H865-R867 PolarHBondContact O-N 3.08Å
866S40.4Very low52.5Low95 Ų95100.9 Ų100.966%0.66453%0.53SS*.  trans-68.2122.4172.4-173.20000111A868S866-A868 PolarHBondContact O-N 3.46Å
867R40.6Very low50.1Low218 Ų218103.2 Ų103.282%0.82355%0.554SS**  trans-79.7107.3171.3-75.4-174.4176.3-176.2-0109H865 V869H865-R867 PolarHBondContact O-N 3.08Å; R867-V869 PolarHBondContact O-N 3.14Å
868A32.6Very low47.8Very low93 Ų93104.7 Ų104.777%0.76957%0.568SS**  trans-51.6115.8170.400000110.3S866 K870S866-A868 PolarHBondContact O-N 3.46Å; A868-K870 PolarHBondContact O-N 3.1Å
869V29Very low45.2Very low134 Ų134108.6 Ų108.681%0.81260%0.602SS**  trans-69.4104.1-179.9179.10000108.1R867 K871R867-V869 PolarHBondContact O-N 3.14Å; V869-K871 PolarHBondContact O-N 3.48Å
870K29.1Very low42.7Very low190 Ų190113 Ų11383%0.82663%0.628SS**  trans-57111.2167.3-80.2-173.1173.5-175.90108A868 T872A868-K870 PolarHBondContact O-N 3.1Å; K870-T872 PolarHBondContact O-N 3.37Å
871K26.9Very low40.1Very low203 Ų203118.9 Ų118.988%0.88367%0.67SS**  trans-51.5115.8167.3-77.1-179.4174.9176.90107.6V869 A873V869-K871 PolarHBondContact O-N 3.48Å; K871-A873 PolarHBondContact O-N 3.02Å
872T27.3Very low37.3Very low141 Ų141122.9 Ų122.987%0.86571%0.706SS**  trans-68.4101.8176.145.70000108.5K870K870-T872 PolarHBondContact O-N 3.37Å
873A28.1Very low34.7Very low93 Ų93127.9 Ų127.977%0.76975%0.747SS**  trans-55.4146.2163.600000109.2K871 H875K871-A873 PolarHBondContact O-N 3.02Å; A873-H875 PolarHBondContact O-N 3.15Å
874S27.7Very low32.2Very low112 Ų112131.9 Ų131.978%0.78378%0.781SS**  trans-61.5133.1-175.435.10000111.8Q876S874-Q876 PolarHBondContact O-N 3.41Å
875H28.3Very low30Very low190 Ų190138.9 Ų138.988%0.8881%0.807SS**  trans-66.8105.7166.5-86.4-66.2000109.4A873A873-H875 PolarHBondContact O-N 3.15Å
876Q26.1Very low28.5Very low179 Ų179141.2 Ų141.284%0.83682%0.819SS**PPolyproline II helixtrans-83.5136.7144.2-72.4-173.8-1500108S874 P878S874-Q876 PolarHBondContact O-N 3.41Å; Q876-P878 WeakPolarHBondContact O-CD 3.46Å
877T25.8Very low27.8Very low134 Ų134141 Ų14182%0.82282%0.822SS**PPolyproline II helixtrans-81.7122.1-177300000111.3A879T877-A879 PolarHBondContact O-N 2.91Å
878P26Very low27Very low124 Ų124136 Ų13681%0.80582%0.821SS**PPolyproline II helixtrans-74.5120.5163.630.2-30.6000109Q876Q876-P878 WeakPolarHBondContact O-CD 3.46Å
879A25.5Very low26.5Very low93 Ų93139.5 Ų139.577%0.76983%0.826SS**PPolyproline II helixtrans-72.4158.9173.300000111.7T877T877-A879 PolarHBondContact O-N 2.91Å
880T27.6Very low27.2Very low144 Ų144137.9 Ų137.988%0.88382%0.818SS**PPolyproline II helixtrans-55.2133.9178.547.70000113.4
881S27.8Very low27.1Very low125 Ų125133.9 Ų133.987%0.87481%0.814SS**  trans-99.7110.416743.20000111.4
882A27.1Very low27Very low101 Ų101128.6 Ų128.684%0.83580%0.802SS**  trans-98.9154.5157.900000108.9
883A27.3Very low27Very low105 Ų105129.8 Ų129.887%0.86880%0.803SS**  trans-89.5136.7-168.600000114.2
884A25.8Very low26.7Very low90 Ų90128.6 Ų128.674%0.74480%0.801SS**  trans-175.6129.413700000114.8
885R25.4Very low27.5Very low221 Ų221128.8 Ų128.883%0.83480%0.799SS**  trans43.2126.2139.9-60.4-178.4178.8178.3-1.3122.7
886Q24.9Very low27.5Very low181 Ų181125.1 Ų125.185%0.84679%0.79SS**  trans60138.7134-60.3171-63.300118.4
887A24.5Very low27.4Very low90 Ų90123.3 Ų123.374%0.74479%0.786SS**  cis-163.4178.822.600000114
888S23.6Very low27.5Very low114 Ų114124.7 Ų124.780%0.79778%0.784SS**  trans57.1109.115055.10000123.9
889L23.1Very low27.5Very low166 Ų166124 Ų12487%0.86978%0.777SS**  trans-27.6178.1134.1-74.1163.9000118.7
890P44.1Very low27.5Very low100 Ų100127.7 Ų127.765%0.64978%0.778SS**  cis-140.1-171.1-6.425.80.1000117
891S25.9Very low27.3Very low106 Ų106126.7 Ų126.774%0.74177%0.772SS**  trans69.5154.3141.544.10000121.3
892S25.8Very low27.1Very low91 Ų91130 Ų13064%0.63677%0.774SS**  cis-174.3153.6-9.946.50000111.8
893D25.7Very low27Very low166 Ų166128.6 Ų128.689%0.88877%0.769SS**  trans47.8161.6148.3-45.6-27.2000121.1
894G23.4Very low27.2Very low69 Ų69130 Ų13071%0.71177%0.769SS**  cis-165.8-165.512.100000113.4
895P43.8Very low27.4Very low116 Ų116129 Ų12975%0.75377%0.768SS**  trans-133.4-158.8-139.445.1-30.2000118.4
896T27.8Very low27.7Very low112 Ų112125.1 Ų125.169%0.68777%0.772SS**  trans72.9152.7161.238.70000118.9
897D25Very low27.8Very low142 Ų142122.2 Ų122.276%0.75977%0.771SS**  cis-113.71646.2-75-44.4000111.9
898E26.5Very low27.9Very low163 Ų163122.4 Ų122.476%0.76277%0.772SS**  cis75.1144.442.8-66.2-160.6-162.200115.6
899T26Very low28Very low109 Ų109124.4 Ų124.467%0.66977%0.774SS**  cis-106.7-152.910.448.50000112.5
900E25.9Very low28.2Very low170 Ų170122.8 Ų122.879%0.79477%0.773SS**  cis-157.2-144.38-150.1147.2-78.100113.7
901T24.6Very low27.5Very low123 Ų123129.4 Ų129.476%0.75579%0.785SS**  trans-124.4169.4-163.253.50000114.5
902E23.8Very low27.4Very low196 Ų196127.8 Ų127.892%0.91679%0.785SS**  cis-139.6168.821-55.4-178.2119.200114
903G24.6Very low27.4Very low71 Ų71133.7 Ų133.773%0.73280%0.8SS**  trans136.2124.3160.400000115.5
904P32.3Very low27.5Very low134 Ų134130.8 Ų130.887%0.8779%0.793SS**  trans-89.1147.2-171.334.5-35.6000115.3
905G28.4Very low27.8Very low70 Ų70133 Ų13372%0.72280%0.795SS**  trans-85.9169.4173.300000114.6
906P33.2Very low27.3Very low139 Ų139132.7 Ų132.790%0.90380%0.801SS**  -135.1176.9107.539.4-30.9000114.4
907S26.6Very low27.7Very low120 Ų120136.2 Ų136.284%0.83981%0.81SS**  trans-85.3132.7-167.155.20000116.2
908A25.2Very low28.3Very low93 Ų93135.9 Ų135.977%0.76981%0.808SS**  trans-167138.5143.300000113.1
909L25.8Very low29.1Very low157 Ų157131.8 Ų131.882%0.82280%0.795SS**  trans34.7118.1150.8-61.2169.8000120.3R911L909-R911 PolarHBondContact O-N 3.23Å
910P28.6Very low30.6Very low131 Ų131129.3 Ų129.385%0.85178%0.782SS**PPolyproline II helixtrans-63.1133.2161.1-15.830.2000111.2
911R28Very low32.8Very low239 Ų239122.5 Ų122.590%0.90275%0.75SS**PPolyproline II helixtrans-68.7149.4176.6-69.5176.4173.8168.1-3.3111.4L909L909-R911 PolarHBondContact O-N 3.23Å
912G25.5Very low35Very low73 Ų73116.6 Ų116.675%0.75371%0.714SS**PPolyproline II helixtrans-66.1150.5172.400000112.4S914G912-S914 PolarHBondContact O-N 3.26Å
913F25.4Very low37.3Very low214 Ų214114 Ų11494%0.93970%0.7SS**PPolyproline II helixtrans-68.6126.5171-77.3-100.3000110
914S26.4Very low39.4Very low106 Ų106113.3 Ų113.374%0.74169%0.692SS**PPolyproline II helixtrans-68.6143.9166.2430000110.6G912G912-S914 PolarHBondContact O-N 3.26Å
915P31.1Very low41.5Very low116 Ų116107.2 Ų107.275%0.75365%0.653SS**PPolyproline II helixtrans-65.6145.6162.730.5-33.1000109E917P915-E917 PolarHBondContact O-N 3.37Å
916A32.7Very low44Very low108 Ų108106.9 Ų106.989%0.89363%0.63SS**  trans-70.6113.6-179.900000110.7
917E36.9Very low46.4Very low186 Ų186100.3 Ų100.387%0.86959%0.587SS**PPolyproline II helixtrans-66.3152.5169.8-63.7174.5148.400110.5P915P915-E917 PolarHBondContact O-N 3.37Å
918L36.7Very low49.3Very low135 Ų13596 Ų9671%0.70755%0.553SS**PPolyproline II helixtrans-70.7147.2168.6-73168.2000109.4S920L918-S920 PolarHBondContact O-N 3.19Å; L918-S920 VanDerWaalsContact O-N 3.14Å
919P44.5Very low52.2Low77 Ų7792 Ų9250%0.552%0.518SS..PPolyproline II helixtrans-65.2117.1178-16.830000110.3F921P919-F921 HydrophobicContact CB-CD1 4.36Å; P919-F921 VanDerWaalsContact O-CD1 3.29Å; P919-F921 WeakPolarHBondContact O-CD1 3.37Å; P919-F921 PolarHBondContact O-N 3.46Å
920S56.6Low54.9Low57 Ų5786.1 Ų86.140%0.39949%0.485SS..  trans-7858.117768.10000111.2L918 M922 K923 D948L918-S920 PolarHBondContact O-N 3.19Å; L918-S920 VanDerWaalsContact O-N 3.14Å; S920-M922 PolarHBondContact O-N 3.36Å; S920-K923 WeakPolarHBondContact O-CB 3.37Å; S920-K923 PolarHBondContact O-N 3.49Å; S920-D948 WeakPolarHBondContact CB-OD2 3.36Å
921F71.7Confident57.4Low27 Ų2783.4 Ų83.412%0.11846%0.464CS..THydrogen-bonded Turntrans-80.9-11.2-166.171.2-95.9000114.8P919 Y947 C996 F997 Q1000P919-F921 HydrophobicContact CB-CD1 4.36Å; P919-F921 VanDerWaalsContact O-CD1 3.29Å; P919-F921 WeakPolarHBondContact O-CD1 3.37Å; P919-F921 PolarHBondContact O-N 3.46Å; F921-Y947 HydrophobicContact CD1-CD1 4.31Å; F921-Y947 AromaticContact CE1-CD1 3.49Å; F921-Y947 HydrophobicContact CE1-CD1 3.49Å; F921-Y947 VanDerWaalsContact CE1-CD1 3.49Å; F921-Y947 HydrophobicContact CE1-CD2 4.24Å; F921-Y947 AromaticContact CE1-CE1 3.83Å; F921-Y947 HydrophobicContact CE1-CE1 3.83Å; F921-Y947 AromaticContact CE1-CG 3.72Å; F921-Y947 HydrophobicContact CE1-CG 3.72Å; F921-Y947 HydrophobicContact CZ-CD1 4.06Å; F921-Y947 AromaticContact CZ-CD2 3.96Å; F921-Y947 HydrophobicContact CZ-CD2 3.96Å; F921-Y947 HydrophobicContact CZ-CE1 4.4Å; F921-Y947 HydrophobicContact CZ-CE2 4.33Å; F921-Y947 AromaticContact CZ-CG 3.83Å; F921-Y947 HydrophobicContact CZ-CG 3.83Å; F921-C996 HydrophobicContact CE2-CB 4.2Å; F921-F997 HydrophobicContact CZ-CD1 4.49Å; F921-Q1000 VanDerWaalsContact CD1-C 3.43Å; F921-Q1000 VanDerWaalsContact CD1-O 3.28Å; F921-Q1000 WeakPolarHBondContact CD1-O 3.43Å; F921-Q1000 VanDerWaalsContact CE1-C 3.43Å; F921-Q1000 VanDerWaalsContact CE1-CA 3.48Å; F921-Q1000 HydrophobicContact CE1-CB 4Å
922M71.6Confident59.9Low0 Ų073 Ų730%043%0.426CS..THydrogen-bonded Turntrans-100.37.1170.5-57.4-65.8-7000112.3S920 G924 V925 L944 Y947 W992 L993 C996 F997S920-M922 PolarHBondContact O-N 3.36Å; M922-G924 PolarHBondContact O-N 2.9Å; M922-G924 VanDerWaalsContact O-N 3.13Å; M922-V925 HydrophobicContact CB-CB 4.49Å; M922-V925 HydrophobicContact CE-CB 4.16Å; M922-V925 HydrophobicContact CE-CG1 3.85Å; M922-V925 HydrophobicContact CE-CG2 4.49Å; M922-V925 VanDerWaalsContact O-CB 3.26Å; M922-V925 WeakPolarHBondContact O-CB 3.48Å; M922-V925 WeakPolarHBondContact O-CG2 3.34Å; M922-V925 PolarHBondContact O-N 3.24Å; M922-L944 HydrophobicContact CE-CD2 3.84Å; M922-L944 HydrophobicContact CE-CG 4.48Å; M922-Y947 WeakPolarHBondContact CB-O 3.29Å; M922-Y947 PolarHBondContact N-O 3.33Å; M922-W992 HydrophobicContact CE-CH2 4.39Å; M922-W992 HydrophobicContact CE-CZ3 4.41Å; M922-L993 HydrophobicContact CE-CD2 3.65Å; M922-C996 HydrophobicContact SD-CB 4.23Å; M922-F997 HydrophobicContact CG-CE1 4.49Å
923K71.3Confident62.5Low142 Ų14272.7 Ų72.762%0.61741%0.41SS*.THydrogen-bonded Turntrans-60.9114.2-173.7-166.2170.9-156.4116.60112.3S920 D948S920-K923 WeakPolarHBondContact O-CB 3.37Å; S920-K923 PolarHBondContact O-N 3.49Å; K923-D948 VanDerWaalsContact CA-O 3.31Å; K923-D948 WeakPolarHBondContact CA-O 3.48Å; K923-D948 HydrophobicContact CB-CB 4Å; K923-D948 HydrophobicContact CG-CB 4.15Å; K923-D948 IonicContact NZ-OD2 2.79Å; K923-D948 PolarHBondContact NZ-OD2 2.92Å
924G68.8Low64.8Low55 Ų5565.8 Ų65.857%0.56739%0.393SS*.THydrogen-bonded Turntrans86.75.5-175.200000114.8M922 R926M922-G924 PolarHBondContact O-N 2.9Å; M922-G924 VanDerWaalsContact O-N 3.13Å; G924-R926 PolarHBondContact O-N 3.47Å
925V77.3Confident67.2Low7 Ų765.4 Ų65.44%0.04239%0.39CS..  trans-86.3103.2168.5-178.40000108.5M922 V927 G949 D950 W992M922-V925 HydrophobicContact CB-CB 4.49Å; M922-V925 HydrophobicContact CE-CB 4.16Å; M922-V925 HydrophobicContact CE-CG1 3.85Å; M922-V925 HydrophobicContact CE-CG2 4.49Å; M922-V925 VanDerWaalsContact O-CB 3.26Å; M922-V925 WeakPolarHBondContact O-CB 3.48Å; M922-V925 WeakPolarHBondContact O-CG2 3.34Å; M922-V925 PolarHBondContact O-N 3.24Å; V925-V927 HydrophobicContact CG1-CG2 4.08Å; V925-G949 WeakPolarHBondContact O-CA 3.35Å; V925-D950 PolarHBondContact O-N 3.13Å; V925-D950 VanDerWaalsContact O-N 3.13Å; V925-W992 HydrophobicContact CG1-CH2 4.08Å; V925-W992 HydrophobicContact CG1-CZ3 4.35Å
926R80.2Confident69.4Low63 Ų6362.1 Ų62.124%0.23837%0.365CS..EExtended strand (participates in β ladder)trans-95.2130.8168.4-52.4-146.9-158.5162.515.8111.2G924 D950 E952 E958 T960 H961G924-R926 PolarHBondContact O-N 3.47Å; R926-D950 WeakPolarHBondContact CA-O 3.3Å; R926-D950 HydrophobicContact CG-CB 4.15Å; R926-E952 HydrophobicContact CB-CG 4.23Å; R926-E952 WeakPolarHBondContact CD-OE1 3.38Å; R926-E952 IonicContact CZ-OE1 2.69Å; R926-E952 IonicContact NE-OE1 3.16Å; R926-E952 IonicContact NH1-OE1 3.62Å; R926-E952 PolarHBondContact NH1-OE1 2.98Å; R926-E958 WeakPolarHBondContact CB-O 3.2Å; R926-E958 IonicContact CZ-OE1 3.76Å; R926-E958 IonicContact CZ-OE2 2.72Å; R926-E958 VanDerWaalsContact CZ-OE2 3.3Å; R926-E958 IonicContact NH1-OE1 3.61Å; R926-E958 IonicContact NH1-OE2 2.9Å; R926-E958 PolarHBondContact NH1-OE2 3.4Å; R926-E958 IonicContact NH2-OE1 2.81Å; R926-E958 PolarHBondContact NH2-OE1 3.17Å; R926-E958 IonicContact NH2-OE2 3.56Å; R926-E958 PolarHBondContact NH2-OE2 3.14Å; R926-E958 VanDerWaalsContact NH2-OE2 3.07Å; R926-T960 HydrophobicContact CB-CG2 4.43Å; R926-T960 PolarHBondContact N-OG1 3.07Å; R926-T960 PolarHBondContact O-N 2.99Å; R926-T960 PolarHBondContact O-OG1 3.13Å; R926-H961 PolarHBondContact O-N 3.49Å; R926-H961 VanDerWaalsContact O-N 3.12Å
927V84.6Confident71.6Confident0 Ų059.8 Ų59.80%033%0.333CS..EExtended strand (participates in β ladder)trans-117.4130.7-174.6170.30000111.7V925 F929 L944 D950 E951 E952 H961 V963V925-V927 HydrophobicContact CG1-CG2 4.08Å; V927-F929 HydrophobicContact CG1-CD1 4.12Å; V927-F929 HydrophobicContact CG1-CD2 4.1Å; V927-F929 HydrophobicContact CG1-CE1 3.93Å; V927-F929 HydrophobicContact CG1-CE2 3.91Å; V927-F929 HydrophobicContact CG1-CG 4.22Å; V927-F929 HydrophobicContact CG1-CZ 3.83Å; V927-L944 HydrophobicContact CB-CD1 4Å; V927-L944 HydrophobicContact CB-CD2 4.28Å; V927-L944 HydrophobicContact CG1-CD1 4.25Å; V927-L944 HydrophobicContact CG2-CD1 3.99Å; V927-L944 HydrophobicContact CG2-CD2 3.71Å; V927-L944 HydrophobicContact CG2-CG 4.49Å; V927-D950 PolarHBondContact N-O 3.43Å; V927-E951 WeakPolarHBondContact O-CA 3.49Å; V927-E952 PolarHBondContact O-N 2.91Å; V927-H961 WeakPolarHBondContact CA-O 3.4Å; V927-H961 HydrophobicContact CG2-CB 4.29Å; V927-V963 HydrophobicContact CG1-CB 3.9Å; V927-V963 HydrophobicContact CG1-CG2 3.49Å; V927-V963 VanDerWaalsContact CG1-CG2 3.49Å; V927-V963 HydrophobicContact CG2-CG2 4.25Å
928F86.1Confident73.5Confident30 Ų3058.1 Ų58.113%0.13232%0.323CS..EExtended strand (participates in β ladder)trans-101.4135.7160.8-178.2-95.9000109.9E952 M955 V959 H961 I962 V963F928-E952 WeakPolarHBondContact CD2-O 3.44Å; F928-M955 HydrophobicContact CB-SD 3.56Å; F928-M955 VanDerWaalsContact CB-SD 3.56Å; F928-M955 HydrophobicContact CD1-CG 3.68Å; F928-M955 HydrophobicContact CD1-SD 3.41Å; F928-M955 WeakPolarHBondContact CD1-SD 3.32Å; F928-M955 HydrophobicContact CD2-CG 3.94Å; F928-M955 HydrophobicContact CD2-SD 4.05Å; F928-M955 HydrophobicContact CE1-CG 3.71Å; F928-M955 HydrophobicContact CE1-SD 4.09Å; F928-M955 HydrophobicContact CE2-CG 3.99Å; F928-M955 HydrophobicContact CG-CG 3.79Å; F928-M955 HydrophobicContact CG-SD 3.39Å; F928-M955 WeakPolarHBondContact CG-SD 3.43Å; F928-M955 HydrophobicContact CZ-CG 3.88Å; F928-V959 HydrophobicContact CB-CG1 3.73Å; F928-V959 HydrophobicContact CB-CG2 4.18Å; F928-H961 PolarHBondContact N-O 3.09Å; F928-I962 HydrophobicContact CD1-CG2 4.48Å; F928-V963 PolarHBondContact O-N 3.32Å
929F87Confident75.7Confident10 Ų1056.4 Ų56.44%0.04431%0.307CS..EExtended strand (participates in β ladder)trans-102.5113.3179.6-71.6-73.3000111.7V927 I932 R937 L940 L944 E951 V963 L993V927-F929 HydrophobicContact CG1-CD1 4.12Å; V927-F929 HydrophobicContact CG1-CD2 4.1Å; V927-F929 HydrophobicContact CG1-CE1 3.93Å; V927-F929 HydrophobicContact CG1-CE2 3.91Å; V927-F929 HydrophobicContact CG1-CG 4.22Å; V927-F929 HydrophobicContact CG1-CZ 3.83Å; F929-I932 HydrophobicContact CB-CD1 4.41Å; F929-I932 HydrophobicContact CD1-CD1 3.74Å; F929-R937 HydrophobicContact CB-CG 3.99Å; F929-R937 HydrophobicContact CD2-CG 3.75Å; F929-R937 HydrophobicContact CE2-CG 4.39Å; F929-R937 HydrophobicContact CG-CG 3.96Å; F929-L940 HydrophobicContact CE1-CB 3.93Å; F929-L940 HydrophobicContact CE1-CD1 4.01Å; F929-L940 HydrophobicContact CZ-CB 3.68Å; F929-L944 HydrophobicContact CE2-CD1 4.04Å; F929-L944 HydrophobicContact CZ-CD1 3.66Å; F929-E951 HydrophobicContact CD2-CG 3.76Å; F929-E951 WeakPolarHBondContact CD2-OE1 3.42Å; F929-E951 HydrophobicContact CE2-CB 4.49Å; F929-E951 VanDerWaalsContact CE2-CD 3.49Å; F929-E951 HydrophobicContact CE2-CG 3.76Å; F929-V963 WeakPolarHBondContact CA-O 3.42Å; F929-V963 HydrophobicContact CD1-CB 3.81Å; F929-V963 HydrophobicContact CD1-CG1 3.89Å; F929-V963 HydrophobicContact CE1-CB 3.96Å; F929-V963 HydrophobicContact CE1-CG1 3.86Å; F929-V963 HydrophobicContact CE1-CG2 4.48Å; F929-L993 HydrophobicContact CE1-CD1 3.69Å; F929-L993 HydrophobicContact CZ-CD1 3.8Å
930Y82.7Confident77.3Confident32 Ų3252.8 Ų52.813%0.12528%0.283CS..EExtended strand (participates in β ladder)trans-107.2130.4179.9175.7-100.9000112I932 V963 A964 E965 E974 L975 L978Y930-I932 VanDerWaalsContact C-N 3.3Å; Y930-I932 PolarHBondContact O-N 2.86Å; Y930-V963 PolarHBondContact N-O 3.25Å; Y930-A964 HydrophobicContact CD1-CB 3.98Å; Y930-A964 WeakPolarHBondContact O-CA 3.45Å; Y930-E965 PolarHBondContact O-N 3.18Å; Y930-E974 VanDerWaalsContact OH-CB 3.3Å; Y930-E974 WeakPolarHBondContact OH-CB 3.22Å; Y930-E974 PolarHBondContact OH-OE2 3.05Å; Y930-L975 HydrophobicContact CD1-CD1 4.36Å; Y930-L975 HydrophobicContact CE1-CB 4.38Å; Y930-L978 HydrophobicContact CD2-CD1 3.59Å; Y930-L978 HydrophobicContact CE2-CD1 3.73Å; Y930-L978 HydrophobicContact CG-CD1 4.12Å
931N80.2Confident78.2Confident75 Ų7550.1 Ų50.140%0.40127%0.265SS..SBendtrans52.738.4176.4-169.462.7000115E965 Q971N931-E965 PolarHBondContact ND2-O 3.18Å; N931-Q971 PolarHBondContact ND2-NE2 2.93Å
932I81.4Confident78.3Confident20 Ų2057.9 Ų57.910%0.10329%0.293CS..  trans-112.1137180-74.3158.6000110.6F929 Y930 A934 E936 R937 V963 E965 T990F929-I932 HydrophobicContact CB-CD1 4.41Å; F929-I932 HydrophobicContact CD1-CD1 3.74Å; Y930-I932 VanDerWaalsContact C-N 3.3Å; Y930-I932 PolarHBondContact O-N 2.86Å; I932-A934 PolarHBondContact O-N 2.96Å; I932-E936 HydrophobicContact CG2-CB 3.94Å; I932-E936 HydrophobicContact CG2-CG 3.85Å; I932-R937 HydrophobicContact CG2-CB 4.26Å; I932-V963 HydrophobicContact CD1-CG1 3.89Å; I932-V963 VanDerWaalsContact CD1-O 3.24Å; I932-V963 WeakPolarHBondContact CD1-O 3.36Å; I932-E965 HydrophobicContact CG1-CB 3.9Å; I932-T990 HydrophobicContact CD1-CG2 3.54Å; I932-T990 HydrophobicContact CG1-CG2 3.91Å
933P80.1Confident78.5Confident66 Ų6663.5 Ų63.543%0.42932%0.315SS..  trans-55.5138179.7-27.335.5000113.3S935 E936 R937P933-S935 PolarHBondContact O-N 3.09Å; P933-S935 VanDerWaalsContact O-N 3.08Å; P933-E936 HydrophobicContact CB-CB 4.37Å; P933-E936 WeakPolarHBondContact O-CA 3.15Å; P933-E936 WeakPolarHBondContact O-CB 3.35Å; P933-E936 PolarHBondContact O-N 2.97Å; P933-R937 PolarHBondContact O-N 3.32Å
934A73.6Confident78.7Confident70 Ų7056.7 Ų56.758%0.57929%0.286SS*.Hα-helixtrans-59.4-27-174.500000114.6I932 K938I932-A934 PolarHBondContact O-N 2.96Å; A934-K938 VanDerWaalsContact O-CB 3.31Å; A934-K938 WeakPolarHBondContact O-CB 3.33Å; A934-K938 VanDerWaalsContact O-CG 3.26Å; A934-K938 WeakPolarHBondContact O-CG 3.02Å; A934-K938 PolarHBondContact O-N 2.78Å; A934-K938 VanDerWaalsContact O-N 3.12Å
935S75.9Confident78.8Confident98 Ų9859.5 Ų59.569%0.68529%0.287SS*.Hα-helixtrans-68.7-35.3171.847.20000113.1P933 R939P933-S935 PolarHBondContact O-N 3.09Å; P933-S935 VanDerWaalsContact O-N 3.08Å; S935-R939 PolarHBondContact O-N 2.76Å
936E76.9Confident78.4Confident47 Ų4763.4 Ų63.422%0.2231%0.311CS..Hα-helixtrans-82.1-41.6179.2-179.8128.1-153.200111.5I932 P933 K938 R939 L940I932-E936 HydrophobicContact CG2-CB 3.94Å; I932-E936 HydrophobicContact CG2-CG 3.85Å; P933-E936 HydrophobicContact CB-CB 4.37Å; P933-E936 WeakPolarHBondContact O-CA 3.15Å; P933-E936 WeakPolarHBondContact O-CB 3.35Å; P933-E936 PolarHBondContact O-N 2.97Å; E936-K938 PolarHBondContact O-N 3.38Å; E936-R939 CarbonylContact O-C 3.56Å; E936-R939 WeakPolarHBondContact O-CA 3.17Å; E936-R939 VanDerWaalsContact O-CB 3.28Å; E936-R939 WeakPolarHBondContact O-CB 3.32Å; E936-R939 PolarHBondContact O-N 3.37Å; E936-R939 IonicContact OE1-CZ 2.7Å; E936-R939 IonicContact OE1-NE 2.73Å; E936-R939 IonicContact OE1-NH2 3.37Å; E936-R939 PolarHBondContact OE1-NH2 2.93Å; E936-L940 HydrophobicContact CG-CD1 4Å; E936-L940 HydrophobicContact CG-CG 4.42Å; E936-L940 PolarHBondContact O-N 2.68Å
937R79.9Confident77.7Confident58 Ų5862.3 Ų62.322%0.21931%0.307CS..Hα-helixtrans-53.7-52.2169.9-172.8171.6174.2-154.6-20.7110.5F929 I932 P933 R939 L940 G941 E951 D953F929-R937 HydrophobicContact CB-CG 3.99Å; F929-R937 HydrophobicContact CD2-CG 3.75Å; F929-R937 HydrophobicContact CE2-CG 4.39Å; F929-R937 HydrophobicContact CG-CG 3.96Å; I932-R937 HydrophobicContact CG2-CB 4.26Å; P933-R937 PolarHBondContact O-N 3.32Å; R937-R939 PolarHBondContact O-N 3.16Å; R937-R939 VanDerWaalsContact O-N 3.16Å; R937-L940 PolarHBondContact O-N 3.41Å; R937-G941 PolarHBondContact O-N 2.66Å; R937-E951 WeakPolarHBondContact CG-OE1 3.46Å; R937-E951 IonicContact CZ-OE1 3.58Å; R937-E951 IonicContact NE-OE1 2.74Å; R937-E951 PolarHBondContact NE-OE1 3.15Å; R937-E951 IonicContact NH2-OE1 3.71Å; R937-E951 PolarHBondContact NH2-OE1 3.08Å; R937-D953 IonicContact CZ-OD1 2.75Å; R937-D953 IonicContact NH1-OD1 3.91Å; R937-D953 PolarHBondContact NH1-OD1 2.94Å; R937-D953 IonicContact NH2-OD1 3.85Å; R937-D953 PolarHBondContact NH2-OD1 2.72Å
938K77.5Confident76.8Confident151 Ų15166 Ų6666%0.65733%0.327SS*.Hα-helixtrans-63.3-18173.7-72.5177.5178.7-178.60114.6A934 E936 R942A934-K938 VanDerWaalsContact O-CB 3.31Å; A934-K938 WeakPolarHBondContact O-CB 3.33Å; A934-K938 VanDerWaalsContact O-CG 3.26Å; A934-K938 WeakPolarHBondContact O-CG 3.02Å; A934-K938 PolarHBondContact O-N 2.78Å; A934-K938 VanDerWaalsContact O-N 3.12Å; E936-K938 PolarHBondContact O-N 3.38Å; K938-R942 VanDerWaalsContact O-CD 3.26Å; K938-R942 WeakPolarHBondContact O-CD 3.35Å; K938-R942 VanDerWaalsContact O-CG 3.28Å; K938-R942 WeakPolarHBondContact O-CG 3.45Å
939R82.3Confident76.1Confident99 Ų9964.6 Ų64.637%0.37432%0.321SS..Hα-helixtrans-80.8-49.7172.9179.6177.876.3111.6-7.1110.9S935 E936 R937 Y943 E994S935-R939 PolarHBondContact O-N 2.76Å; E936-R939 CarbonylContact O-C 3.56Å; E936-R939 WeakPolarHBondContact O-CA 3.17Å; E936-R939 VanDerWaalsContact O-CB 3.28Å; E936-R939 WeakPolarHBondContact O-CB 3.32Å; E936-R939 PolarHBondContact O-N 3.37Å; E936-R939 IonicContact OE1-CZ 2.7Å; E936-R939 IonicContact OE1-NE 2.73Å; E936-R939 IonicContact OE1-NH2 3.37Å; E936-R939 PolarHBondContact OE1-NH2 2.93Å; R937-R939 PolarHBondContact O-N 3.16Å; R937-R939 VanDerWaalsContact O-N 3.16Å; R939-Y943 HydrophobicContact CG-CE2 4.17Å; R939-Y943 WeakPolarHBondContact O-CD2 3.27Å; R939-E994 IonicContact CZ-OE1 2.71Å; R939-E994 IonicContact NH1-OE1 3.49Å; R939-E994 PolarHBondContact NH1-OE1 3.05Å; R939-E994 IonicContact NH2-OE1 3.07Å; R939-E994 PolarHBondContact NH2-OE1 3.45Å
940L77.4Confident75.5Confident1 Ų168.1 Ų68.11%0.00534%0.34CS..Hα-helixtrans-75.4-39.9-175-64.8173.3000112.3F929 E936 R937 R942 Y943 L944 T990 L993 E994 F997F929-L940 HydrophobicContact CE1-CB 3.93Å; F929-L940 HydrophobicContact CE1-CD1 4.01Å; F929-L940 HydrophobicContact CZ-CB 3.68Å; E936-L940 HydrophobicContact CG-CD1 4Å; E936-L940 HydrophobicContact CG-CG 4.42Å; E936-L940 PolarHBondContact O-N 2.68Å; R937-L940 PolarHBondContact O-N 3.41Å; L940-R942 VanDerWaalsContact C-N 3.35Å; L940-R942 PolarHBondContact O-N 3.26Å; L940-Y943 PolarHBondContact O-N 3.29Å; L940-L944 PolarHBondContact O-N 3.11Å; L940-T990 HydrophobicContact CD1-CG2 4.31Å; L940-L993 HydrophobicContact CB-CD1 4.2Å; L940-L993 HydrophobicContact CD1-CD1 4.4Å; L940-L993 HydrophobicContact CD2-CB 4.4Å; L940-E994 HydrophobicContact CD2-CG 4.15Å; L940-F997 HydrophobicContact CD2-CE2 4.14Å
941G74.9Confident75.4Confident1 Ų169.2 Ų69.21%0.0135%0.346CS..Hα-helixtrans-56.7-44.2174.800000113.7R937 Y943 L944 I945 E951R937-G941 PolarHBondContact O-N 2.66Å; G941-Y943 PolarHBondContact O-N 3.31Å; G941-L944 WeakPolarHBondContact O-CB 3.29Å; G941-L944 PolarHBondContact O-N 2.86Å; G941-I945 WeakPolarHBondContact O-CG1 3.29Å; G941-I945 PolarHBondContact O-N 3.19Å; G941-E951 WeakPolarHBondContact CA-OE2 3.41Å
942R75.7Confident75.4Confident190 Ų19068 Ų6872%0.71734%0.338SS*.Hα-helixtrans-57.1-36.6173.3-76.2177.2178.3-178.3-2.3112.7K938 L940 T946K938-R942 VanDerWaalsContact O-CD 3.26Å; K938-R942 WeakPolarHBondContact O-CD 3.35Å; K938-R942 VanDerWaalsContact O-CG 3.28Å; K938-R942 WeakPolarHBondContact O-CG 3.45Å; L940-R942 VanDerWaalsContact C-N 3.35Å; L940-R942 PolarHBondContact O-N 3.26Å; R942-T946 WeakPolarHBondContact O-CG2 3.15Å; R942-T946 PolarHBondContact O-N 3.43Å; R942-T946 PolarHBondContact O-OG1 2.92Å
943Y74.3Confident74.8Confident118 Ų11872.8 Ų72.846%0.46336%0.364SS..Hα-helixtrans-76.9-36.6177.8-73.4-61.4000112.9R939 L940 G941 T946 Y947 F997R939-Y943 HydrophobicContact CG-CE2 4.17Å; R939-Y943 WeakPolarHBondContact O-CD2 3.27Å; L940-Y943 PolarHBondContact O-N 3.29Å; G941-Y943 PolarHBondContact O-N 3.31Å; Y943-T946 WeakPolarHBondContact CA-OG1 3.42Å; Y943-T946 PolarHBondContact O-N 3.19Å; Y943-T946 PolarHBondContact O-OG1 3.37Å; Y943-Y947 VanDerWaalsContact O-CD2 3.25Å; Y943-Y947 WeakPolarHBondContact O-CD2 3.39Å; Y943-F997 VanDerWaalsContact CB-CZ 3.41Å; Y943-F997 HydrophobicContact CD2-CD2 4.38Å; Y943-F997 HydrophobicContact CD2-CE2 4.47Å; Y943-F997 HydrophobicContact CG-CD2 4.15Å; Y943-F997 HydrophobicContact CG-CE2 4.24Å; Y943-F997 HydrophobicContact CG-CG 4.5Å
944L74.9Confident74.5Confident0 Ų074.9 Ų74.90%038%0.375CS..Hα-helixtrans-54.7-54.2171-96139.5000110.8M922 V927 F929 L940 G941 T946 Y947 G949 L993 F997M922-L944 HydrophobicContact CE-CD2 3.84Å; M922-L944 HydrophobicContact CE-CG 4.48Å; V927-L944 HydrophobicContact CB-CD1 4Å; V927-L944 HydrophobicContact CB-CD2 4.28Å; V927-L944 HydrophobicContact CG1-CD1 4.25Å; V927-L944 HydrophobicContact CG2-CD1 3.99Å; V927-L944 HydrophobicContact CG2-CD2 3.71Å; V927-L944 HydrophobicContact CG2-CG 4.49Å; F929-L944 HydrophobicContact CE2-CD1 4.04Å; F929-L944 HydrophobicContact CZ-CD1 3.66Å; L940-L944 PolarHBondContact O-N 3.11Å; G941-L944 WeakPolarHBondContact O-CB 3.29Å; G941-L944 PolarHBondContact O-N 2.86Å; L944-T946 PolarHBondContact O-N 3.3Å; L944-Y947 PolarHBondContact O-N 3.29Å; L944-G949 CarbonylContact C-O 3.46Å; L944-G949 PolarHBondContact O-N 3.13Å; L944-L993 HydrophobicContact CD1-CD1 3.78Å; L944-L993 HydrophobicContact CD1-CD2 4.24Å; L944-L993 HydrophobicContact CG-CD2 4.34Å; L944-F997 HydrophobicContact CB-CZ 4.5Å; L944-F997 HydrophobicContact CG-CZ 4.06Å
945I71.3Confident74.5Confident114 Ų11473.3 Ų73.359%0.58536%0.356SS*.Hα-helixtrans-61.2-30.3-178.2-64164.3000111.7G941 Y947 G949G941-I945 WeakPolarHBondContact O-CG1 3.29Å; G941-I945 PolarHBondContact O-N 3.19Å; I945-Y947 VanDerWaalsContact C-N 3.26Å; I945-Y947 PolarHBondContact O-N 3.07Å; I945-G949 WeakPolarHBondContact CA-O 3.45Å; I945-G949 PolarHBondContact N-O 3.05Å
946T68.9Low74.3Confident88 Ų8870.2 Ų70.254%0.5434%0.339SS..THydrogen-bonded Turntrans-75.4-3.6175.853.10000115.6R942 Y943 L944R942-T946 WeakPolarHBondContact O-CG2 3.15Å; R942-T946 PolarHBondContact O-N 3.43Å; R942-T946 PolarHBondContact O-OG1 2.92Å; Y943-T946 WeakPolarHBondContact CA-OG1 3.42Å; Y943-T946 PolarHBondContact O-N 3.19Å; Y943-T946 PolarHBondContact O-OG1 3.37Å; L944-T946 PolarHBondContact O-N 3.3Å
947Y66.5Low73.8Confident40 Ų4076.1 Ų76.116%0.15737%0.367CS..THydrogen-bonded Turntrans-132.327-177.2-67.5-65.3000114.1F921 M922 Y943 L944 I945 F997 Q1000F921-Y947 HydrophobicContact CD1-CD1 4.31Å; F921-Y947 AromaticContact CE1-CD1 3.49Å; F921-Y947 HydrophobicContact CE1-CD1 3.49Å; F921-Y947 VanDerWaalsContact CE1-CD1 3.49Å; F921-Y947 HydrophobicContact CE1-CD2 4.24Å; F921-Y947 AromaticContact CE1-CE1 3.83Å; F921-Y947 HydrophobicContact CE1-CE1 3.83Å; F921-Y947 AromaticContact CE1-CG 3.72Å; F921-Y947 HydrophobicContact CE1-CG 3.72Å; F921-Y947 HydrophobicContact CZ-CD1 4.06Å; F921-Y947 AromaticContact CZ-CD2 3.96Å; F921-Y947 HydrophobicContact CZ-CD2 3.96Å; F921-Y947 HydrophobicContact CZ-CE1 4.4Å; F921-Y947 HydrophobicContact CZ-CE2 4.33Å; F921-Y947 AromaticContact CZ-CG 3.83Å; F921-Y947 HydrophobicContact CZ-CG 3.83Å; M922-Y947 WeakPolarHBondContact CB-O 3.29Å; M922-Y947 PolarHBondContact N-O 3.33Å; Y943-Y947 VanDerWaalsContact O-CD2 3.25Å; Y943-Y947 WeakPolarHBondContact O-CD2 3.39Å; L944-Y947 PolarHBondContact O-N 3.29Å; I945-Y947 VanDerWaalsContact C-N 3.26Å; I945-Y947 PolarHBondContact O-N 3.07Å; Y947-F997 AromaticContact CD2-CD1 3.78Å; Y947-F997 HydrophobicContact CD2-CD1 3.78Å; Y947-F997 HydrophobicContact CD2-CE1 4.13Å; Y947-F997 HydrophobicContact CE2-CD1 4.04Å; Y947-Q1000 PolarHBondContact OH-NE2 3.46Å
948D65.9Low73.4Confident79 Ų7979.1 Ų79.142%0.42238%0.384SS..THydrogen-bonded Turntrans66.824.7-176.6-672000115.2S920 K923S920-D948 WeakPolarHBondContact CB-OD2 3.36Å; K923-D948 VanDerWaalsContact CA-O 3.31Å; K923-D948 WeakPolarHBondContact CA-O 3.48Å; K923-D948 HydrophobicContact CB-CB 4Å; K923-D948 HydrophobicContact CG-CB 4.15Å; K923-D948 IonicContact NZ-OD2 2.79Å; K923-D948 PolarHBondContact NZ-OD2 2.92Å
949G70.8Confident73.5Confident0 Ų072.2 Ų72.20%035%0.354CS..  trans-109.8142.5174.500000113.1V925 L944 I945V925-G949 WeakPolarHBondContact O-CA 3.35Å; L944-G949 CarbonylContact C-O 3.46Å; L944-G949 PolarHBondContact O-N 3.13Å; I945-G949 WeakPolarHBondContact CA-O 3.45Å; I945-G949 PolarHBondContact N-O 3.05Å
950D75.2Confident73.5Confident83 Ų8369.6 Ų69.644%0.44435%0.349SS..EExtended strand (participates in β ladder)trans-103.4151.6-173.2-63.2-55.8000112.7V925 R926 V927V925-D950 PolarHBondContact O-N 3.13Å; V925-D950 VanDerWaalsContact O-N 3.13Å; R926-D950 WeakPolarHBondContact CA-O 3.3Å; R926-D950 HydrophobicContact CG-CB 4.15Å; V927-D950 PolarHBondContact N-O 3.43Å
951E80.7Confident73.8Confident56 Ų5670.4 Ų70.426%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-111.7125.8173.2-179.9178164.800109.7V927 F929 R937 G941V927-E951 WeakPolarHBondContact O-CA 3.49Å; F929-E951 HydrophobicContact CD2-CG 3.76Å; F929-E951 WeakPolarHBondContact CD2-OE1 3.42Å; F929-E951 HydrophobicContact CE2-CB 4.49Å; F929-E951 VanDerWaalsContact CE2-CD 3.49Å; F929-E951 HydrophobicContact CE2-CG 3.76Å; R937-E951 WeakPolarHBondContact CG-OE1 3.46Å; R937-E951 IonicContact CZ-OE1 3.58Å; R937-E951 IonicContact NE-OE1 2.74Å; R937-E951 PolarHBondContact NE-OE1 3.15Å; R937-E951 IonicContact NH2-OE1 3.71Å; R937-E951 PolarHBondContact NH2-OE1 3.08Å; G941-E951 WeakPolarHBondContact CA-OE2 3.41Å
952E78.9Confident74.3Confident49 Ų4970.3 Ų70.323%0.22935%0.352CS..EExtended strand (participates in β ladder)trans-100.7128.6179-65.8-67.3172.900110.6R926 V927 F928 V954 V959R926-E952 HydrophobicContact CB-CG 4.23Å; R926-E952 WeakPolarHBondContact CD-OE1 3.38Å; R926-E952 IonicContact CZ-OE1 2.69Å; R926-E952 IonicContact NE-OE1 3.16Å; R926-E952 IonicContact NH1-OE1 3.62Å; R926-E952 PolarHBondContact NH1-OE1 2.98Å; V927-E952 PolarHBondContact O-N 2.91Å; F928-E952 WeakPolarHBondContact CD2-O 3.44Å; E952-V954 VanDerWaalsContact C-N 3.34Å; E952-V959 HydrophobicContact CB-CG2 3.96Å; E952-V959 HydrophobicContact CG-CG2 3.97Å
953D68.4Low74.7Confident120 Ų12061.3 Ų61.364%0.64232%0.318SS*.SBendtrans-78.5-17177.9-94.1-47.4000113.6R937R937-D953 IonicContact CZ-OD1 2.75Å; R937-D953 IonicContact NH1-OD1 3.91Å; R937-D953 PolarHBondContact NH1-OD1 2.94Å; R937-D953 IonicContact NH2-OD1 3.85Å; R937-D953 PolarHBondContact NH2-OD1 2.72Å
954V73.9Confident75.2Confident111 Ų11155.7 Ų55.767%0.67330%0.296SS*.SBendtrans-134.7140.8-177.2-175.50000109.5E952 G956E952-V954 VanDerWaalsContact C-N 3.34Å; V954-G956 PolarHBondContact O-N 3.1Å; V954-G956 VanDerWaalsContact O-N 3.16Å
955M73.4Confident75.5Confident37 Ų3759.3 Ų59.318%0.18231%0.313CS..  trans-67.1110.9171.7-79.9-66.2-61.500110.7F928 V959 I962 L978 N982F928-M955 HydrophobicContact CB-SD 3.56Å; F928-M955 VanDerWaalsContact CB-SD 3.56Å; F928-M955 HydrophobicContact CD1-CG 3.68Å; F928-M955 HydrophobicContact CD1-SD 3.41Å; F928-M955 WeakPolarHBondContact CD1-SD 3.32Å; F928-M955 HydrophobicContact CD2-CG 3.94Å; F928-M955 HydrophobicContact CD2-SD 4.05Å; F928-M955 HydrophobicContact CE1-CG 3.71Å; F928-M955 HydrophobicContact CE1-SD 4.09Å; F928-M955 HydrophobicContact CE2-CG 3.99Å; F928-M955 HydrophobicContact CG-CG 3.79Å; F928-M955 HydrophobicContact CG-SD 3.39Å; F928-M955 WeakPolarHBondContact CG-SD 3.43Å; F928-M955 HydrophobicContact CZ-CG 3.88Å; M955-V959 HydrophobicContact SD-CG1 4.12Å; M955-V959 HydrophobicContact SD-CG2 4.36Å; M955-I962 HydrophobicContact CE-CD1 3.68Å; M955-I962 HydrophobicContact CE-CG1 4.06Å; M955-I962 HydrophobicContact SD-CD1 4.29Å; M955-I962 HydrophobicContact SD-CG1 4.19Å; M955-L978 HydrophobicContact CG-CD2 4.39Å; M955-N982 HydrophobicContact CE-CB 3.94Å
956G71.8Confident75.8Confident32 Ų3255.6 Ų55.633%0.3330%0.296SS..  trans-134.2173.8173.100000112V954 E958 V959V954-G956 PolarHBondContact O-N 3.1Å; V954-G956 VanDerWaalsContact O-N 3.16Å; G956-E958 PolarHBondContact O-N 2.98Å; G956-V959 WeakPolarHBondContact O-CB 3.27Å; G956-V959 WeakPolarHBondContact O-CG2 3.5Å; G956-V959 PolarHBondContact O-N 3.13Å; G956-V959 VanDerWaalsContact O-N 3.09Å
957E67.5Low76Confident171 Ų17159.1 Ų59.180%0.79931%0.306SS*.THydrogen-bonded Turntrans-63.2-15.7-174.8-59.9-173.8164.700114
958E70.6Confident76.6Confident121 Ų12161.4 Ų61.457%0.56532%0.321SS*.THydrogen-bonded Turntrans-85.4-4.1178-51.5-162.1107.400113.8R926 G956 T960R926-E958 WeakPolarHBondContact CB-O 3.2Å; R926-E958 IonicContact CZ-OE1 3.76Å; R926-E958 IonicContact CZ-OE2 2.72Å; R926-E958 VanDerWaalsContact CZ-OE2 3.3Å; R926-E958 IonicContact NH1-OE1 3.61Å; R926-E958 IonicContact NH1-OE2 2.9Å; R926-E958 PolarHBondContact NH1-OE2 3.4Å; R926-E958 IonicContact NH2-OE1 2.81Å; R926-E958 PolarHBondContact NH2-OE1 3.17Å; R926-E958 IonicContact NH2-OE2 3.56Å; R926-E958 PolarHBondContact NH2-OE2 3.14Å; R926-E958 VanDerWaalsContact NH2-OE2 3.07Å; G956-E958 PolarHBondContact O-N 2.98Å; E958-T960 PolarHBondContact O-N 3.4Å
959V80.9Confident76.9Confident6 Ų665.4 Ų65.44%0.03634%0.337CS..  trans-75.5120.3178.3176.10000110.9F928 E952 M955 G956 A985F928-V959 HydrophobicContact CB-CG1 3.73Å; F928-V959 HydrophobicContact CB-CG2 4.18Å; E952-V959 HydrophobicContact CB-CG2 3.96Å; E952-V959 HydrophobicContact CG-CG2 3.97Å; M955-V959 HydrophobicContact SD-CG1 4.12Å; M955-V959 HydrophobicContact SD-CG2 4.36Å; G956-V959 WeakPolarHBondContact O-CB 3.27Å; G956-V959 WeakPolarHBondContact O-CG2 3.5Å; G956-V959 PolarHBondContact O-N 3.13Å; G956-V959 VanDerWaalsContact O-N 3.09Å; V959-A985 HydrophobicContact CG1-CB 4.34Å; V959-A985 WeakPolarHBondContact O-CB 3.39Å
960T80.8Confident77.1Confident44 Ų4471.1 Ų71.127%0.2737%0.366SS..  trans-93.2-30.3-178.169.40000113.7R926 E958 A985 V986R926-T960 HydrophobicContact CB-CG2 4.43Å; R926-T960 PolarHBondContact N-OG1 3.07Å; R926-T960 PolarHBondContact O-N 2.99Å; R926-T960 PolarHBondContact O-OG1 3.13Å; E958-T960 PolarHBondContact O-N 3.4Å; T960-A985 WeakPolarHBondContact O-CA 3.41Å; T960-V986 PolarHBondContact O-N 2.84Å
961H84.8Confident77.3Confident18 Ų1868.7 Ų68.78%0.08335%0.352CS..EExtended strand (participates in β ladder)trans-140131.7-175.9-67.774.1000110.2R926 V927 F928 V986 V988 W992R926-H961 PolarHBondContact O-N 3.49Å; R926-H961 VanDerWaalsContact O-N 3.12Å; V927-H961 WeakPolarHBondContact CA-O 3.4Å; V927-H961 HydrophobicContact CG2-CB 4.29Å; F928-H961 PolarHBondContact N-O 3.09Å; H961-V986 WeakPolarHBondContact CA-O 3.15Å; H961-V988 HydrophobicContact CB-CG2 4.47Å; H961-W992 HydrophobicContact CB-CZ3 4.49Å; H961-W992 AromaticContact CD2-CH2 3.6Å; H961-W992 AromaticContact CD2-CZ3 3.76Å; H961-W992 AromaticContact NE2-CH2 3.58Å; H961-W992 AromaticContact NE2-CZ2 3.9Å
962I84.9Confident77.1Confident0 Ų068.2 Ų68.20%035%0.351CS..EExtended strand (participates in β ladder)trans-98.5105.5171.7-53.1176.8000106.9F928 M955 L975 V979 A985 V986 P987 V988F928-I962 HydrophobicContact CD1-CG2 4.48Å; M955-I962 HydrophobicContact CE-CD1 3.68Å; M955-I962 HydrophobicContact CE-CG1 4.06Å; M955-I962 HydrophobicContact SD-CD1 4.29Å; M955-I962 HydrophobicContact SD-CG1 4.19Å; I962-L975 HydrophobicContact CG2-CD1 3.82Å; I962-V979 HydrophobicContact CD1-CG2 4Å; I962-A985 HydrophobicContact CD1-CB 4.09Å; I962-A985 HydrophobicContact CG1-CB 3.87Å; I962-V986 PolarHBondContact N-O 3.48Å; I962-P987 WeakPolarHBondContact O-CA 3.49Å; I962-V988 PolarHBondContact O-N 3.08Å
963V84.9Confident76.9Confident0 Ų071.4 Ų71.40%037%0.366CS..EExtended strand (participates in β ladder)trans-88.5114.3175.5179.30000107.7V927 F928 F929 Y930 I932 V988 T990 L993V927-V963 HydrophobicContact CG1-CB 3.9Å; V927-V963 HydrophobicContact CG1-CG2 3.49Å; V927-V963 VanDerWaalsContact CG1-CG2 3.49Å; V927-V963 HydrophobicContact CG2-CG2 4.25Å; F928-V963 PolarHBondContact O-N 3.32Å; F929-V963 WeakPolarHBondContact CA-O 3.42Å; F929-V963 HydrophobicContact CD1-CB 3.81Å; F929-V963 HydrophobicContact CD1-CG1 3.89Å; F929-V963 HydrophobicContact CE1-CB 3.96Å; F929-V963 HydrophobicContact CE1-CG1 3.86Å; F929-V963 HydrophobicContact CE1-CG2 4.48Å; Y930-V963 PolarHBondContact N-O 3.25Å; I932-V963 HydrophobicContact CD1-CG1 3.89Å; I932-V963 VanDerWaalsContact CD1-O 3.24Å; I932-V963 WeakPolarHBondContact CD1-O 3.36Å; V963-V988 WeakPolarHBondContact CA-O 3.36Å; V963-V988 HydrophobicContact CG2-CG2 3.79Å; V963-T990 HydrophobicContact CG1-CG2 4.14Å; V963-L993 HydrophobicContact CG1-CD1 4.24Å; V963-L993 HydrophobicContact CG2-CD1 3.94Å; V963-L993 HydrophobicContact CG2-CG 4.14Å
964A83.4Confident77.4Confident0 Ų070.4 Ų70.40%036%0.357CS..EExtended strand (participates in β ladder)trans-131.1144.4-171.100000112.6Y930 V966 L975 V988 H1010Y930-A964 HydrophobicContact CD1-CB 3.98Å; Y930-A964 WeakPolarHBondContact O-CA 3.45Å; A964-V966 HydrophobicContact CB-CG2 4.17Å; A964-L975 HydrophobicContact CB-CD1 4.11Å; A964-L975 HydrophobicContact CB-CD2 3.81Å; A964-V988 PolarHBondContact N-O 2.93Å; A964-H1010 PolarHBondContact O-CE1 2.93Å; A964-H1010 PolarHBondContact O-NE2 3.4Å
965E81.6Confident77.8Confident77 Ų7765.1 Ų65.136%0.3633%0.325SS..  trans-117.1132.4166.3-169.4148.6-118.900109.2Y930 N931 I932 T990Y930-E965 PolarHBondContact O-N 3.18Å; N931-E965 PolarHBondContact ND2-O 3.18Å; I932-E965 HydrophobicContact CG1-CB 3.9Å; E965-T990 HydrophobicContact CB-CG2 4.48Å
966V78.6Confident78Confident35 Ų3565.2 Ų65.221%0.21233%0.326CS..  trans-142.6118.7-161-175.80000109.4A964 Q971 I972 L975A964-V966 HydrophobicContact CB-CG2 4.17Å; V966-Q971 HydrophobicContact CG1-CB 3.8Å; V966-I972 HydrophobicContact CG1-CB 4.47Å; V966-I972 HydrophobicContact CG1-CG1 3.51Å; V966-L975 HydrophobicContact CG2-CD2 3.81Å
967E73.6Confident78.3Confident162 Ų16266.8 Ų66.876%0.75733%0.327SS*.  trans-111.9-26.7-175.6-61-173.6141.600112.8
968N79.1Confident78.8Confident88 Ų8860.3 Ų60.347%0.47130%0.298SS..SBendtrans-124.1149.2-170.7-63.8-83.3000112.7I970 Q971 I972N968-I970 PolarHBondContact O-N 3.49Å; N968-I970 VanDerWaalsContact O-N 3.13Å; N968-Q971 HydrophobicContact CB-CG 4.47Å; N968-Q971 PolarHBondContact ND2-OE1 2.82Å; N968-Q971 WeakPolarHBondContact O-CB 3.44Å; N968-Q971 PolarHBondContact O-N 3.11Å; N968-I972 PolarHBondContact O-N 2.56Å; N968-I972 VanDerWaalsContact O-N 3.16Å
969H70.5Confident79.2Confident163 Ų16356.2 Ų56.276%0.75528%0.281SS*.Hα-helixtrans-56.7-29.3176.8-82.4-72.8000114.3I972 Q973H969-I972 WeakPolarHBondContact O-CB 3.44Å; H969-I972 PolarHBondContact O-N 3.02Å; H969-Q973 PolarHBondContact O-N 3.27Å; H969-Q973 VanDerWaalsContact O-N 3.09Å
970I76.1Confident79.1Confident120 Ų12062.9 Ų62.962%0.61531%0.305SS*.Hα-helixtrans-67.5-41.3175.6-58.1174.6000110.5N968 I972 Q973 E974N968-I970 PolarHBondContact O-N 3.49Å; N968-I970 VanDerWaalsContact O-N 3.13Å; I970-I972 VanDerWaalsContact C-N 3.3Å; I970-I972 PolarHBondContact O-N 2.85Å; I970-Q973 WeakPolarHBondContact O-CA 3.24Å; I970-Q973 VanDerWaalsContact O-CB 3.27Å; I970-Q973 WeakPolarHBondContact O-CB 3.46Å; I970-Q973 PolarHBondContact O-N 3.41Å; I970-Q973 VanDerWaalsContact O-N 3.09Å; I970-E974 WeakPolarHBondContact CG2-OE1 3.47Å; I970-E974 PolarHBondContact O-N 3.05Å
971Q78.5Confident78.8Confident32 Ų3267.4 Ų67.415%0.1532%0.323CS..Hα-helixtrans-68.4-28.8176.5-66.3161.3-31.800112.1N931 V966 N968 L975N931-Q971 PolarHBondContact ND2-NE2 2.93Å; V966-Q971 HydrophobicContact CG1-CB 3.8Å; N968-Q971 HydrophobicContact CB-CG 4.47Å; N968-Q971 PolarHBondContact ND2-OE1 2.82Å; N968-Q971 WeakPolarHBondContact O-CB 3.44Å; N968-Q971 PolarHBondContact O-N 3.11Å; Q971-L975 VanDerWaalsContact O-CB 3.29Å; Q971-L975 WeakPolarHBondContact O-CB 3.37Å; Q971-L975 PolarHBondContact O-N 2.83Å
972I77.3Confident78.2Confident47 Ų4767.9 Ų67.924%0.24133%0.327CS..Hα-helixtrans-64.8-43.8169-60174.3000110.2V966 N968 H969 I970 L975 L976 L1012V966-I972 HydrophobicContact CG1-CB 4.47Å; V966-I972 HydrophobicContact CG1-CG1 3.51Å; N968-I972 PolarHBondContact O-N 2.56Å; N968-I972 VanDerWaalsContact O-N 3.16Å; H969-I972 WeakPolarHBondContact O-CB 3.44Å; H969-I972 PolarHBondContact O-N 3.02Å; I970-I972 VanDerWaalsContact C-N 3.3Å; I970-I972 PolarHBondContact O-N 2.85Å; I972-L975 PolarHBondContact O-N 3.16Å; I972-L976 HydrophobicContact CG2-CD1 4.24Å; I972-L976 WeakPolarHBondContact O-CB 3.47Å; I972-L976 WeakPolarHBondContact O-CG 3.11Å; I972-L976 PolarHBondContact O-N 3.15Å; I972-L1012 HydrophobicContact CG2-CD2 4.01Å
973Q75.4Confident77.4Confident116 Ų11676.4 Ų76.454%0.54237%0.367SS..Hα-helixtrans-62-45.4177.6-161.489.819.600111.7H969 I970 L976 D977H969-Q973 PolarHBondContact O-N 3.27Å; H969-Q973 VanDerWaalsContact O-N 3.09Å; I970-Q973 WeakPolarHBondContact O-CA 3.24Å; I970-Q973 VanDerWaalsContact O-CB 3.27Å; I970-Q973 WeakPolarHBondContact O-CB 3.46Å; I970-Q973 PolarHBondContact O-N 3.41Å; I970-Q973 VanDerWaalsContact O-N 3.09Å; Q973-L976 WeakPolarHBondContact O-CB 3.47Å; Q973-L976 PolarHBondContact O-N 2.9Å; Q973-D977 PolarHBondContact O-N 3.31Å
974E79.1Confident76.7Confident98 Ų9884.6 Ų84.646%0.45841%0.405SS..Hα-helixtrans-65.3-41.4176.8-71.8173.3-14700112.1Y930 I970 L976 D977 L978Y930-E974 VanDerWaalsContact OH-CB 3.3Å; Y930-E974 WeakPolarHBondContact OH-CB 3.22Å; Y930-E974 PolarHBondContact OH-OE2 3.05Å; I970-E974 WeakPolarHBondContact CG2-OE1 3.47Å; I970-E974 PolarHBondContact O-N 3.05Å; E974-L976 VanDerWaalsContact C-N 3.34Å; E974-L976 PolarHBondContact O-N 3.5Å; E974-D977 PolarHBondContact O-N 2.95Å; E974-L978 WeakPolarHBondContact O-CG 3.09Å; E974-L978 PolarHBondContact O-N 3.42Å
975L80.9Confident76.5Confident0 Ų084.8 Ų84.80%041%0.407CS..Hα-helixtrans-65.1-36.6174.8-177.558.4000112.1Y930 I962 A964 V966 Q971 I972 L978 V979 L1012Y930-L975 HydrophobicContact CD1-CD1 4.36Å; Y930-L975 HydrophobicContact CE1-CB 4.38Å; I962-L975 HydrophobicContact CG2-CD1 3.82Å; A964-L975 HydrophobicContact CB-CD1 4.11Å; A964-L975 HydrophobicContact CB-CD2 3.81Å; V966-L975 HydrophobicContact CG2-CD2 3.81Å; Q971-L975 VanDerWaalsContact O-CB 3.29Å; Q971-L975 WeakPolarHBondContact O-CB 3.37Å; Q971-L975 PolarHBondContact O-N 2.83Å; I972-L975 PolarHBondContact O-N 3.16Å; L975-L978 PolarHBondContact O-N 3.45Å; L975-V979 HydrophobicContact CD1-CG2 4.48Å; L975-V979 VanDerWaalsContact O-CG2 3.26Å; L975-V979 WeakPolarHBondContact O-CG2 3.4Å; L975-V979 PolarHBondContact O-N 3.38Å; L975-L1012 HydrophobicContact CD2-CD2 4.09Å; L975-L1012 HydrophobicContact CG-CD2 4.41Å
976L78Confident76.6Confident39 Ų3983 Ų8320%0.20440%0.401CS..Hα-helixtrans-61.1-41.4171.4-85.9167.1000112I972 Q973 E974 V979 R980 L1012I972-L976 HydrophobicContact CG2-CD1 4.24Å; I972-L976 WeakPolarHBondContact O-CB 3.47Å; I972-L976 WeakPolarHBondContact O-CG 3.11Å; I972-L976 PolarHBondContact O-N 3.15Å; Q973-L976 WeakPolarHBondContact O-CB 3.47Å; Q973-L976 PolarHBondContact O-N 2.9Å; E974-L976 VanDerWaalsContact C-N 3.34Å; E974-L976 PolarHBondContact O-N 3.5Å; L976-V979 PolarHBondContact O-N 3.41Å; L976-R980 VanDerWaalsContact O-CG 3.27Å; L976-R980 WeakPolarHBondContact O-CG 3.49Å; L976-R980 PolarHBondContact O-N 3.08Å; L976-L1012 HydrophobicContact CD2-CB 3.85Å; L976-L1012 HydrophobicContact CD2-CD1 4.48Å; L976-L1012 HydrophobicContact CG-CB 4.3Å
977D78.5Confident76.9Confident66 Ų6682.2 Ų82.235%0.35340%0.396SS..Hα-helixtrans-72.7-33178.2-77.6-36.6000112.9Q973 E974 R980 Q981Q973-D977 PolarHBondContact O-N 3.31Å; E974-D977 PolarHBondContact O-N 2.95Å; D977-R980 PolarHBondContact O-N 3.12Å; D977-R980 VanDerWaalsContact OD1-CD 3.31Å; D977-R980 WeakPolarHBondContact OD1-CD 3.24Å; D977-R980 IonicContact OD1-CZ 2.65Å; D977-R980 IonicContact OD1-NE 2.72Å; D977-R980 IonicContact OD1-NH1 2.72Å; D977-R980 PolarHBondContact OD1-NH1 3.31Å; D977-Q981 WeakPolarHBondContact O-CG 3.49Å; D977-Q981 PolarHBondContact O-N 2.89Å; D977-Q981 VanDerWaalsContact O-N 3.11Å
978L77.4Confident77.4Confident35 Ų3574.5 Ų74.518%0.18336%0.36CS..Hα-helixtrans-63.8-41.7169.1-71.3172000112.4Y930 M955 E974 L975 Q981 N982Y930-L978 HydrophobicContact CD2-CD1 3.59Å; Y930-L978 HydrophobicContact CE2-CD1 3.73Å; Y930-L978 HydrophobicContact CG-CD1 4.12Å; M955-L978 HydrophobicContact CG-CD2 4.39Å; E974-L978 WeakPolarHBondContact O-CG 3.09Å; E974-L978 PolarHBondContact O-N 3.42Å; L975-L978 PolarHBondContact O-N 3.45Å; L978-Q981 PolarHBondContact O-N 3.05Å; L978-N982 PolarHBondContact O-N 3.11Å; L978-N982 VanDerWaalsContact O-N 3.14Å
979V80Confident77.8Confident34 Ų3474.6 Ų74.621%0.20636%0.357CS..Hα-helixtrans-68.6-33.5176171.50000111.7I962 L975 L976 Q981 N982 Q983 P987 L1012I962-V979 HydrophobicContact CD1-CG2 4Å; L975-V979 HydrophobicContact CD1-CG2 4.48Å; L975-V979 VanDerWaalsContact O-CG2 3.26Å; L975-V979 WeakPolarHBondContact O-CG2 3.4Å; L975-V979 PolarHBondContact O-N 3.38Å; L976-V979 PolarHBondContact O-N 3.41Å; V979-Q981 VanDerWaalsContact C-N 3.32Å; V979-Q981 PolarHBondContact O-N 3.13Å; V979-N982 CarbonylContact O-C 3.44Å; V979-N982 PolarHBondContact O-N 3.21Å; V979-Q983 PolarHBondContact O-N 3.2Å; V979-P987 HydrophobicContact CG2-CB 3.92Å; V979-P987 HydrophobicContact CG2-CG 3.86Å; V979-L1012 HydrophobicContact CG2-CD1 4.45Å
980R77.5Confident78.5Confident146 Ų14667.6 Ų67.655%0.55133%0.325SS*.Hα-helixtrans-64.6-35.2172.1-75.2168-176.1161.7-0.6112.6L976 D977L976-R980 VanDerWaalsContact O-CG 3.27Å; L976-R980 WeakPolarHBondContact O-CG 3.49Å; L976-R980 PolarHBondContact O-N 3.08Å; D977-R980 PolarHBondContact O-N 3.12Å; D977-R980 VanDerWaalsContact OD1-CD 3.31Å; D977-R980 WeakPolarHBondContact OD1-CD 3.24Å; D977-R980 IonicContact OD1-CZ 2.65Å; D977-R980 IonicContact OD1-NE 2.72Å; D977-R980 IonicContact OD1-NH1 2.72Å; D977-R980 PolarHBondContact OD1-NH1 3.31Å
981Q74.9Confident78.8Confident139 Ų13963.8 Ų63.865%0.6531%0.312SS*.Hα-helixtrans-71.7-37.4177.3-70.8169.623.500112.2D977 L978 V979D977-Q981 WeakPolarHBondContact O-CG 3.49Å; D977-Q981 PolarHBondContact O-N 2.89Å; D977-Q981 VanDerWaalsContact O-N 3.11Å; L978-Q981 PolarHBondContact O-N 3.05Å; V979-Q981 VanDerWaalsContact C-N 3.32Å; V979-Q981 PolarHBondContact O-N 3.13Å
982N72.4Confident79.2Confident29 Ų2962.3 Ų62.316%0.15531%0.305CS..  trans-124.980.3-179.5-76.9-74.5000112.2M955 L978 V979 Q984 A985M955-N982 HydrophobicContact CE-CB 3.94Å; L978-N982 PolarHBondContact O-N 3.11Å; L978-N982 VanDerWaalsContact O-N 3.14Å; V979-N982 CarbonylContact O-C 3.44Å; V979-N982 PolarHBondContact O-N 3.21Å; N982-Q984 PolarHBondContact O-N 3Å; N982-A985 HydrophobicContact CB-CB 4.27Å; N982-A985 PolarHBondContact O-N 3.33Å
983Q67.8Low79.5Confident179 Ų17960 Ų6084%0.83629%0.293SS*.THydrogen-bonded Turntrans-63.3-9.9-176.3-62.1-176.710.200115.2V979V979-Q983 PolarHBondContact O-N 3.2Å
984Q71.3Confident79.9Confident171 Ų17158.3 Ų58.380%0.79929%0.285SS*.THydrogen-bonded Turntrans-88.1-16.7175.5-58.6-168.746.800113.2N982N982-Q984 PolarHBondContact O-N 3Å
985A78.1Confident80Confident5 Ų554.5 Ų54.54%0.04127%0.269CS..PPolyproline II helixtrans-92.1127.4-171.700000112.2V959 T960 I962 N982 P987V959-A985 HydrophobicContact CG1-CB 4.34Å; V959-A985 WeakPolarHBondContact O-CB 3.39Å; T960-A985 WeakPolarHBondContact O-CA 3.41Å; I962-A985 HydrophobicContact CD1-CB 4.09Å; I962-A985 HydrophobicContact CG1-CB 3.87Å; N982-A985 HydrophobicContact CB-CB 4.27Å; N982-A985 PolarHBondContact O-N 3.33Å; A985-P987 WeakPolarHBondContact O-CD 3.14Å
986V83.4Confident80Confident40 Ų4054.5 Ų54.524%0.24227%0.269CS..EExtended strand (participates in β ladder)trans-89.4120.4-176-172.10000111.4T960 H961 I962 V988 Q1009T960-V986 PolarHBondContact O-N 2.84Å; H961-V986 WeakPolarHBondContact CA-O 3.15Å; I962-V986 PolarHBondContact N-O 3.48Å; V986-V988 HydrophobicContact CG1-CG1 4.1Å; V986-V988 PolarHBondContact O-N 3.24Å; V986-Q1009 HydrophobicContact CG1-CG 4.16Å
987P84.4Confident80.2Confident17 Ų1753.7 Ų53.711%0.1126%0.264CS..EExtended strand (participates in β ladder)trans-78.5120.517831-34.5000111.8I962 V979 A985 Q1009 L1012I962-P987 WeakPolarHBondContact O-CA 3.49Å; V979-P987 HydrophobicContact CG2-CB 3.92Å; V979-P987 HydrophobicContact CG2-CG 3.86Å; A985-P987 WeakPolarHBondContact O-CD 3.14Å; P987-Q1009 WeakPolarHBondContact O-CA 3.26Å; P987-L1012 HydrophobicContact CB-CD1 4.02Å; P987-L1012 HydrophobicContact CG-CD1 3.64Å
988V86Confident80.2Confident0 Ų055.4 Ų55.40%028%0.281CS..EExtended strand (participates in β ladder)trans-136.6158.7-175.3-68.30000112.5H961 I962 V963 A964 V986 W992 T1005 Q1009H961-V988 HydrophobicContact CB-CG2 4.47Å; I962-V988 PolarHBondContact O-N 3.08Å; V963-V988 WeakPolarHBondContact CA-O 3.36Å; V963-V988 HydrophobicContact CG2-CG2 3.79Å; A964-V988 PolarHBondContact N-O 2.93Å; V986-V988 HydrophobicContact CG1-CG1 4.1Å; V986-V988 PolarHBondContact O-N 3.24Å; V988-W992 HydrophobicContact CB-CB 4.28Å; V988-W992 HydrophobicContact CB-CG 4.49Å; V988-W992 HydrophobicContact CG2-CD2 4.36Å; V988-W992 HydrophobicContact CG2-CE3 3.93Å; V988-T1005 HydrophobicContact CG1-CG2 3.97Å; V988-Q1009 HydrophobicContact CG1-CG 4.26Å
989K86.6Confident80.1Confident91 Ų9159 Ų5940%0.39630%0.296SS..  trans-82151.9176.3-66.7175.1-175.1-171.70111.6A991 W992 F1008 H1010K989-A991 PolarHBondContact O-N 3.07Å; K989-A991 VanDerWaalsContact O-N 3.12Å; K989-W992 VanDerWaalsContact O-CB 3.25Å; K989-W992 WeakPolarHBondContact O-CB 3.48Å; K989-W992 PolarHBondContact O-N 3.31Å; K989-F1008 WeakPolarHBondContact CG-O 3.36Å; K989-F1008 PolarHBondContact N-O 2.94Å; K989-H1010 VanDerWaalsContact CE-ND1 3.26Å; K989-H1010 WeakPolarHBondContact CE-ND1 3.31Å; K989-H1010 VanDerWaalsContact CG-CE1 3.45Å; K989-H1010 WeakPolarHBondContact CG-CE1 3.49Å
990T84.2Confident79.9Confident15 Ų1562.2 Ų62.29%0.09231%0.308CS..Hα-helixtrans-44.2-42.4172.346.20000113.4I932 L940 V963 E965 W992 L993 E994I932-T990 HydrophobicContact CD1-CG2 3.54Å; I932-T990 HydrophobicContact CG1-CG2 3.91Å; L940-T990 HydrophobicContact CD1-CG2 4.31Å; V963-T990 HydrophobicContact CG1-CG2 4.14Å; E965-T990 HydrophobicContact CB-CG2 4.48Å; T990-W992 PolarHBondContact O-N 3.37Å; T990-W992 VanDerWaalsContact O-N 3.08Å; T990-L993 PolarHBondContact O-N 2.9Å; T990-L993 VanDerWaalsContact O-N 3.11Å; T990-E994 PolarHBondContact O-N 3.03Å
991A83.9Confident80Confident41 Ų4160.7 Ų60.734%0.33931%0.308SS..Hα-helixtrans-59.2-18.4177.900000115K989 S995 F1008K989-A991 PolarHBondContact O-N 3.07Å; K989-A991 VanDerWaalsContact O-N 3.12Å; A991-S995 VanDerWaalsContact O-CB 3.24Å; A991-S995 WeakPolarHBondContact O-CB 3.47Å; A991-S995 PolarHBondContact O-N 3.5Å; A991-F1008 HydrophobicContact CB-CD1 4.27Å; A991-F1008 HydrophobicContact CB-CE1 4.47Å
992W86.3Confident80.1Confident0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-64.6-49.1172.3-179.966.4000111.5M922 V925 H961 V988 K989 T990 S995 C996 Q1002 V1003 T1005 F1008M922-W992 HydrophobicContact CE-CH2 4.39Å; M922-W992 HydrophobicContact CE-CZ3 4.41Å; V925-W992 HydrophobicContact CG1-CH2 4.08Å; V925-W992 HydrophobicContact CG1-CZ3 4.35Å; H961-W992 HydrophobicContact CB-CZ3 4.49Å; H961-W992 AromaticContact CD2-CH2 3.6Å; H961-W992 AromaticContact CD2-CZ3 3.76Å; H961-W992 AromaticContact NE2-CH2 3.58Å; H961-W992 AromaticContact NE2-CZ2 3.9Å; V988-W992 HydrophobicContact CB-CB 4.28Å; V988-W992 HydrophobicContact CB-CG 4.49Å; V988-W992 HydrophobicContact CG2-CD2 4.36Å; V988-W992 HydrophobicContact CG2-CE3 3.93Å; K989-W992 VanDerWaalsContact O-CB 3.25Å; K989-W992 WeakPolarHBondContact O-CB 3.48Å; K989-W992 PolarHBondContact O-N 3.31Å; T990-W992 PolarHBondContact O-N 3.37Å; T990-W992 VanDerWaalsContact O-N 3.08Å; W992-S995 WeakPolarHBondContact O-CB 3.47Å; W992-S995 PolarHBondContact O-N 3.17Å; W992-C996 PolarHBondContact O-N 2.81Å; W992-C996 PolarHBondContact O-SG 3.39Å; W992-Q1002 HydrophobicContact CZ2-CG 4.04Å; W992-V1003 PolarHBondContact NE1-O 3.36Å; W992-T1005 HydrophobicContact CD2-CG2 4.33Å; W992-T1005 HydrophobicContact CZ2-CG2 3.74Å; W992-F1008 HydrophobicContact CB-CB 3.69Å; W992-F1008 HydrophobicContact CB-CD1 4.32Å; W992-F1008 HydrophobicContact CB-CG 3.95Å; W992-F1008 AromaticContact CD1-CD2 3.79Å; W992-F1008 HydrophobicContact CG-CB 4.2Å; W992-F1008 HydrophobicContact CG-CG 4.41Å
993L82.8Confident80.4Confident0 Ų058.7 Ų58.70%030%0.299CS..Hα-helixtrans-62.8-45177.9-74.3-179.2000110.9M922 F929 L940 L944 V963 T990 S995 C996 F997M922-L993 HydrophobicContact CE-CD2 3.65Å; F929-L993 HydrophobicContact CE1-CD1 3.69Å; F929-L993 HydrophobicContact CZ-CD1 3.8Å; L940-L993 HydrophobicContact CB-CD1 4.2Å; L940-L993 HydrophobicContact CD1-CD1 4.4Å; L940-L993 HydrophobicContact CD2-CB 4.4Å; L944-L993 HydrophobicContact CD1-CD1 3.78Å; L944-L993 HydrophobicContact CD1-CD2 4.24Å; L944-L993 HydrophobicContact CG-CD2 4.34Å; V963-L993 HydrophobicContact CG1-CD1 4.24Å; V963-L993 HydrophobicContact CG2-CD1 3.94Å; V963-L993 HydrophobicContact CG2-CG 4.14Å; T990-L993 PolarHBondContact O-N 2.9Å; T990-L993 VanDerWaalsContact O-N 3.11Å; L993-S995 VanDerWaalsContact C-N 3.28Å; L993-S995 PolarHBondContact O-N 2.98Å; L993-C996 PolarHBondContact O-N 3.47Å; L993-C996 VanDerWaalsContact O-N 3.11Å; L993-F997 HydrophobicContact CB-CD2 4.31Å; L993-F997 HydrophobicContact CB-CE2 3.74Å; L993-F997 HydrophobicContact CB-CZ 4.2Å; L993-F997 HydrophobicContact CD2-CZ 4.14Å; L993-F997 WeakPolarHBondContact O-CD2 3.45Å; L993-F997 VanDerWaalsContact O-CG 3.26Å; L993-F997 WeakPolarHBondContact O-CG 3.21Å; L993-F997 PolarHBondContact O-N 3.16Å
994E84.5Confident81Confident80 Ų8055.6 Ų55.637%0.37429%0.288SS..Hα-helixtrans-59.2-39.4175.7-63.9-159.1127.500112.4R939 L940 T990 S998R939-E994 IonicContact CZ-OE1 2.71Å; R939-E994 IonicContact NH1-OE1 3.49Å; R939-E994 PolarHBondContact NH1-OE1 3.05Å; R939-E994 IonicContact NH2-OE1 3.07Å; R939-E994 PolarHBondContact NH2-OE1 3.45Å; L940-E994 HydrophobicContact CD2-CG 4.15Å; T990-E994 PolarHBondContact O-N 3.03Å; E994-S998 WeakPolarHBondContact O-CB 3.17Å; E994-S998 PolarHBondContact O-N 2.83Å
995S81.7Confident81.4Confident17 Ų1748.8 Ų48.812%0.11926%0.258CS..Hα-helixtrans-64.9-39.2174.7-1740000112.1A991 W992 L993 K999A991-S995 VanDerWaalsContact O-CB 3.24Å; A991-S995 WeakPolarHBondContact O-CB 3.47Å; A991-S995 PolarHBondContact O-N 3.5Å; W992-S995 WeakPolarHBondContact O-CB 3.47Å; W992-S995 PolarHBondContact O-N 3.17Å; L993-S995 VanDerWaalsContact C-N 3.28Å; L993-S995 PolarHBondContact O-N 2.98Å; S995-K999 WeakPolarHBondContact O-CB 3.24Å; S995-K999 WeakPolarHBondContact O-CG 3.37Å; S995-K999 PolarHBondContact O-N 3.46Å; S995-K999 PolarHBondContact OG-NZ 2.88Å
996C80.1Confident81.3Confident0 Ų051.7 Ų51.70%028%0.282CS..Hα-helixtrans-68.5-48.8176.6-63.60000112.1F921 M922 W992 L993 S998 K999 Q1000 Q1001 V1003F921-C996 HydrophobicContact CE2-CB 4.2Å; M922-C996 HydrophobicContact SD-CB 4.23Å; W992-C996 PolarHBondContact O-N 2.81Å; W992-C996 PolarHBondContact O-SG 3.39Å; L993-C996 PolarHBondContact O-N 3.47Å; L993-C996 VanDerWaalsContact O-N 3.11Å; C996-S998 PolarHBondContact O-N 3.26Å; C996-K999 PolarHBondContact O-N 2.92Å; C996-Q1000 WeakPolarHBondContact O-CA 3.25Å; C996-Q1000 PolarHBondContact O-N 3.35Å; C996-Q1001 WeakPolarHBondContact CA-O 3.27Å; C996-Q1001 PolarHBondContact O-N 3.44Å; C996-V1003 PolarHBondContact SG-N 3.1Å
997F81.9Confident80.8Confident22 Ų2257.6 Ų57.610%0.09631%0.307CS..Hα-helixtrans-64.1-40177.8-56.8-41.7000112.3F921 M922 L940 Y943 L944 Y947 L993 K999 Q1000F921-F997 HydrophobicContact CZ-CD1 4.49Å; M922-F997 HydrophobicContact CG-CE1 4.49Å; L940-F997 HydrophobicContact CD2-CE2 4.14Å; Y943-F997 VanDerWaalsContact CB-CZ 3.41Å; Y943-F997 HydrophobicContact CD2-CD2 4.38Å; Y943-F997 HydrophobicContact CD2-CE2 4.47Å; Y943-F997 HydrophobicContact CG-CD2 4.15Å; Y943-F997 HydrophobicContact CG-CE2 4.24Å; Y943-F997 HydrophobicContact CG-CG 4.5Å; L944-F997 HydrophobicContact CB-CZ 4.5Å; L944-F997 HydrophobicContact CG-CZ 4.06Å; Y947-F997 AromaticContact CD2-CD1 3.78Å; Y947-F997 HydrophobicContact CD2-CD1 3.78Å; Y947-F997 HydrophobicContact CD2-CE1 4.13Å; Y947-F997 HydrophobicContact CE2-CD1 4.04Å; L993-F997 HydrophobicContact CB-CD2 4.31Å; L993-F997 HydrophobicContact CB-CE2 3.74Å; L993-F997 HydrophobicContact CB-CZ 4.2Å; L993-F997 HydrophobicContact CD2-CZ 4.14Å; L993-F997 WeakPolarHBondContact O-CD2 3.45Å; L993-F997 VanDerWaalsContact O-CG 3.26Å; L993-F997 WeakPolarHBondContact O-CG 3.21Å; L993-F997 PolarHBondContact O-N 3.16Å; F997-K999 VanDerWaalsContact C-N 3.31Å; F997-K999 PolarHBondContact O-N 2.96Å; F997-Q1000 PolarHBondContact O-N 3.43Å
998S79.6Confident80.5Confident103 Ų10358.6 Ų58.672%0.7231%0.31SS*.Hα-helixtrans-66-30.6178.5-177.30000113.3E994 C996E994-S998 WeakPolarHBondContact O-CB 3.17Å; E994-S998 PolarHBondContact O-N 2.83Å; C996-S998 PolarHBondContact O-N 3.26Å
999K75.9Confident80.2Confident110 Ų11062.6 Ų62.648%0.47833%0.328SS..Hα-helixtrans-102.1-3.9-179.5-65.7170.5-175.3154.30114.3S995 C996 F997 Q1001 V1003S995-K999 WeakPolarHBondContact O-CB 3.24Å; S995-K999 WeakPolarHBondContact O-CG 3.37Å; S995-K999 PolarHBondContact O-N 3.46Å; S995-K999 PolarHBondContact OG-NZ 2.88Å; C996-K999 PolarHBondContact O-N 2.92Å; F997-K999 VanDerWaalsContact C-N 3.31Å; F997-K999 PolarHBondContact O-N 2.96Å; K999-Q1001 HydrophobicContact CB-CG 4.07Å; K999-Q1001 PolarHBondContact O-N 2.89Å; K999-V1003 HydrophobicContact CD-CG2 3.87Å
1000Q75.3Confident79.5Confident101 Ų10159.7 Ų59.747%0.47232%0.316SS..THydrogen-bonded Turntrans48.540-175.9-60.7-173.2-49.500114F921 Y947 C996 F997F921-Q1000 VanDerWaalsContact CD1-C 3.43Å; F921-Q1000 VanDerWaalsContact CD1-O 3.28Å; F921-Q1000 WeakPolarHBondContact CD1-O 3.43Å; F921-Q1000 VanDerWaalsContact CE1-C 3.43Å; F921-Q1000 VanDerWaalsContact CE1-CA 3.48Å; F921-Q1000 HydrophobicContact CE1-CB 4Å; Y947-Q1000 PolarHBondContact OH-NE2 3.46Å; C996-Q1000 WeakPolarHBondContact O-CA 3.25Å; C996-Q1000 PolarHBondContact O-N 3.35Å; F997-Q1000 PolarHBondContact O-N 3.43Å
1001Q79.7Confident78.4Confident115 Ų11568.3 Ų68.354%0.53736%0.355SS..SBendtrans-156.6153.9176.367.7-171.1-62.500110.1C996 K999 V1003C996-Q1001 WeakPolarHBondContact CA-O 3.27Å; C996-Q1001 PolarHBondContact O-N 3.44Å; K999-Q1001 HydrophobicContact CB-CG 4.07Å; K999-Q1001 PolarHBondContact O-N 2.89Å; Q1001-V1003 PolarHBondContact O-N 3.49Å
1002Q75.6Confident77.1Confident102 Ų10271 Ų7148%0.47736%0.364SS..PPolyproline II helixtrans-69.3118.3175.4-162.7-17723.300110.2W992W992-Q1002 HydrophobicContact CZ2-CG 4.04Å
1003V79.7Confident76.7Confident23 Ų2374.6 Ų74.614%0.13938%0.382CS..PPolyproline II helixtrans-89.9145.1-179.8-177.90000109.6W992 C996 K999 Q1001 T1005 F1008W992-V1003 PolarHBondContact NE1-O 3.36Å; C996-V1003 PolarHBondContact SG-N 3.1Å; K999-V1003 HydrophobicContact CD-CG2 3.87Å; Q1001-V1003 PolarHBondContact O-N 3.49Å; V1003-T1005 PolarHBondContact O-N 2.92Å; V1003-F1008 HydrophobicContact CG1-CE2 3.88Å
1004N79.3Confident76.4Confident114 Ų11478.5 Ų78.561%0.6140%0.402SS*.PPolyproline II helixtrans-58127.9177.3-172.1-53.9000111.5A1006N1004-A1006 VanDerWaalsContact C-N 3.34Å; N1004-A1006 PolarHBondContact O-N 3.44Å; N1004-A1006 VanDerWaalsContact OD1-CB 3.26Å; N1004-A1006 WeakPolarHBondContact OD1-CB 3.24Å; N1004-A1006 PolarHBondContact OD1-N 3.33Å
1005T80.6Confident75.9Confident29 Ų2978.4 Ų78.418%0.17840%0.403CS..G310 helixtrans-69.7-23.7-174.547.70000114.1V988 W992 V1003 Q1007 F1008 Q1009V988-T1005 HydrophobicContact CG1-CG2 3.97Å; W992-T1005 HydrophobicContact CD2-CG2 4.33Å; W992-T1005 HydrophobicContact CZ2-CG2 3.74Å; V1003-T1005 PolarHBondContact O-N 2.92Å; T1005-Q1007 PolarHBondContact O-N 3.14Å; T1005-F1008 CarbonylContact O-C 3.3Å; T1005-F1008 PolarHBondContact O-N 3.01Å; T1005-Q1009 PolarHBondContact O-N 3.43Å
1006A75.9Confident75.6Confident66 Ų6682 Ų8255%0.54542%0.42SS..G310 helixtrans-62.8-19.4-172.500000114.8N1004N1004-A1006 VanDerWaalsContact C-N 3.34Å; N1004-A1006 PolarHBondContact O-N 3.44Å; N1004-A1006 VanDerWaalsContact OD1-CB 3.26Å; N1004-A1006 WeakPolarHBondContact OD1-CB 3.24Å; N1004-A1006 PolarHBondContact OD1-N 3.33Å
1007Q73.5Confident75.3Confident164 Ų16487.1 Ų87.177%0.76645%0.446SS*.G310 helixtrans-85.8-9.9173.6-68.2-176.5-8.600113.7T1005T1005-Q1007 PolarHBondContact O-N 3.14Å
1008F78.5Confident74.8Confident38 Ų3891.5 Ų91.517%0.16747%0.47CS..THydrogen-bonded Turntrans-128.51.2-171-57.9-90.4000113.6K989 A991 W992 V1003 T1005K989-F1008 WeakPolarHBondContact CG-O 3.36Å; K989-F1008 PolarHBondContact N-O 2.94Å; A991-F1008 HydrophobicContact CB-CD1 4.27Å; A991-F1008 HydrophobicContact CB-CE1 4.47Å; W992-F1008 HydrophobicContact CB-CB 3.69Å; W992-F1008 HydrophobicContact CB-CD1 4.32Å; W992-F1008 HydrophobicContact CB-CG 3.95Å; W992-F1008 AromaticContact CD1-CD2 3.79Å; W992-F1008 HydrophobicContact CG-CB 4.2Å; W992-F1008 HydrophobicContact CG-CG 4.41Å; V1003-F1008 HydrophobicContact CG1-CE2 3.88Å; T1005-F1008 CarbonylContact O-C 3.3Å; T1005-F1008 PolarHBondContact O-N 3.01Å
1009Q78.9Confident74.5Confident83 Ų8390.6 Ų90.639%0.38845%0.452SS..BIsolated β-bridgetrans-60.4153.1170-79167.6-17.800111.2V986 P987 V988 T1005V986-Q1009 HydrophobicContact CG1-CG 4.16Å; P987-Q1009 WeakPolarHBondContact O-CA 3.26Å; V988-Q1009 HydrophobicContact CG1-CG 4.26Å; T1005-Q1009 PolarHBondContact O-N 3.43Å
1010H71.8Confident74.4Confident30 Ų3089.2 Ų89.214%0.13945%0.45CS..  trans-73.8141.1163.9-73.1-76.7000109.5A964 K989 L1012A964-H1010 PolarHBondContact O-CE1 2.93Å; A964-H1010 PolarHBondContact O-NE2 3.4Å; K989-H1010 VanDerWaalsContact CE-ND1 3.26Å; K989-H1010 WeakPolarHBondContact CE-ND1 3.31Å; K989-H1010 VanDerWaalsContact CG-CE1 3.45Å; K989-H1010 WeakPolarHBondContact CG-CE1 3.49Å; H1010-L1012 HydrophobicContact CB-CD1 4.47Å; H1010-L1012 HydrophobicContact CB-CD2 3.77Å; H1010-L1012 HydrophobicContact CB-CG 3.83Å; H1010-L1012 PolarHBondContact O-N 2.95Å
1011Q61.5Low74.3Confident196 Ų19688.2 Ų88.292%0.91645%0.448SS*.  trans-81.894.7167.9-72.8-179.3-23.200106.9
1012L56.7Low73.8Confident98 Ų9885.7 Ų85.751%0.51344%0.44SS..  trans-98.10-177.6-60.3177.2000111.4I972 L975 L976 V979 P987 H1010I972-L1012 HydrophobicContact CG2-CD2 4.01Å; L975-L1012 HydrophobicContact CD2-CD2 4.09Å; L975-L1012 HydrophobicContact CG-CD2 4.41Å; L976-L1012 HydrophobicContact CD2-CB 3.85Å; L976-L1012 HydrophobicContact CD2-CD1 4.48Å; L976-L1012 HydrophobicContact CG-CB 4.3Å; V979-L1012 HydrophobicContact CG2-CD1 4.45Å; P987-L1012 HydrophobicContact CB-CD1 4.02Å; P987-L1012 HydrophobicContact CG-CD1 3.64Å; H1010-L1012 HydrophobicContact CB-CD1 4.47Å; H1010-L1012 HydrophobicContact CB-CD2 3.77Å; H1010-L1012 HydrophobicContact CB-CG 3.83Å; H1010-L1012 PolarHBondContact O-N 2.95Å

Retrieved 1,012 of 1,012 residues in 252.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).