A0A087YGY5_POEFO Loading...

Polycomb group ring finger 2

AlphaFold DB , UniProt , Accession A0A087YGY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1M40.8Very low60.3Low231 Ų231153.8 Ų153.8100%1.13875%0.75SS**  080.20-79.1-177.5176.500107.2K3M1-K3 PolarHBondContact O-N 3.21Å
2D46.2Very low61.9Low160 Ų160148.9 Ų148.986%0.85674%0.736SS**  trans-73.1126.9-173.4-66.4-90.9000110M4D2-M4 PolarHBondContact O-N 3.19Å
3K49.7Very low63.5Low187 Ų187145.3 Ų145.381%0.81372%0.721SS**  trans-71.599.4178.5-69.7177.1179.6174.10107.7M1 Q5M1-K3 PolarHBondContact O-N 3.21Å; K3-Q5 VanDerWaalsContact C-N 3.26Å; K3-Q5 PolarHBondContact O-N 3.2Å
4M51.8Low64.9Low185 Ų185138.3 Ų138.391%0.91169%0.687SS**  trans-63.991.6168.6-174.1150.473.900108.9D2D2-M4 PolarHBondContact O-N 3.19Å
5Q54.5Low66.1Low152 Ų152131.7 Ų131.771%0.7166%0.656SS**  trans-62.8128.6173.3-70-75.32.600108.1K3 N7K3-Q5 VanDerWaalsContact C-N 3.26Å; K3-Q5 PolarHBondContact O-N 3.2Å; Q5-N7 PolarHBondContact O-N 3.11Å
6P57.3Low67.3Low103 Ų103129.6 Ų129.667%0.66965%0.654SS**  trans-66.8107.3176.726.8-32.7000108.8R8P6-R8 PolarHBondContact O-N 3.11Å; P6-R8 VanDerWaalsContact O-N 3.16Å
7N65.9Low68.3Low152 Ų152129.3 Ų129.381%0.81365%0.654SS**  trans-66.2115.3-176.2-154.52.2000109.2Q5 V9Q5-N7 PolarHBondContact O-N 3.11Å; N7-V9 PolarHBondContact O-N 3.44Å
8R64.8Low69.4Low233 Ų233122.4 Ų122.488%0.87962%0.619SS**  trans-81.985.5-173.5-69.1-173.9179.6178.30.3110.3P6P6-R8 PolarHBondContact O-N 3.11Å; P6-R8 VanDerWaalsContact O-N 3.16Å
9V76.7Confident70.5Confident91 Ų91118.3 Ų118.355%0.55260%0.601SS**  trans-62136.4170.8-173.30000109.4N7 D13 L14N7-V9 PolarHBondContact O-N 3.44Å; V9-D13 HydrophobicContact CG1-CB 4.48Å; V9-L14 HydrophobicContact CG1-CD1 3.98Å; V9-L14 HydrophobicContact CG1-CD2 3.97Å; V9-L14 HydrophobicContact CG1-CG 3.85Å
10K76.6Confident71.5Confident142 Ų142112.4 Ų112.462%0.61757%0.571SS**  trans-80.2140.7176.4-57.6171.8-177.4169.50109T12 D13K10-T12 PolarHBondContact O-N 3Å; K10-D13 WeakPolarHBondContact CB-OD2 3.4Å; K10-D13 WeakPolarHBondContact O-CB 3.45Å; K10-D13 PolarHBondContact O-N 2.79Å
11I78.7Confident72.3Confident56 Ų56110.5 Ų110.529%0.28757%0.566SS.*Hα-helixtrans-59.3-34.2178.6-163.9167.2000112.4D13 L14 N15 V86I11-D13 PolarHBondContact O-N 3.16Å; I11-L14 CarbonylContact O-C 3.55Å; I11-L14 WeakPolarHBondContact O-CA 3.32Å; I11-L14 PolarHBondContact O-N 2.99Å; I11-N15 PolarHBondContact O-N 2.87Å; I11-N15 PolarHBondContact O-OD1 2.8Å; I11-N15 VanDerWaalsContact O-OD1 3.04Å; I11-V86 HydrophobicContact CD1-CB 4.28Å; I11-V86 HydrophobicContact CD1-CG1 4.25Å; I11-V86 HydrophobicContact CD1-CG2 4.11Å
12T80.1Confident74.6Confident95 Ų95102.5 Ų102.558%0.58353%0.528SS*.Hα-helixtrans-56.5-34.9175.9-390000113.1K10 L14K10-T12 PolarHBondContact O-N 3Å; T12-L14 VanDerWaalsContact C-N 3.25Å; T12-L14 PolarHBondContact O-N 2.96Å
13D82.4Confident76.5Confident102 Ų10298.1 Ų98.155%0.54551%0.509SS..Hα-helixtrans-74.3-21.7179.9-48.4-25.6000111.1V9 K10 I11V9-D13 HydrophobicContact CG1-CB 4.48Å; K10-D13 WeakPolarHBondContact CB-OD2 3.4Å; K10-D13 WeakPolarHBondContact O-CB 3.45Å; K10-D13 PolarHBondContact O-N 2.79Å; I11-D13 PolarHBondContact O-N 3.16Å
14L82.8Confident78.3Confident47 Ų4793.3 Ų93.325%0.24650%0.504CS..Hα-helixtrans-96.9-21179.4-58.3178.6000113.1V9 I11 T12 P16 L17 L18 L85V9-L14 HydrophobicContact CG1-CD1 3.98Å; V9-L14 HydrophobicContact CG1-CD2 3.97Å; V9-L14 HydrophobicContact CG1-CG 3.85Å; I11-L14 CarbonylContact O-C 3.55Å; I11-L14 WeakPolarHBondContact O-CA 3.32Å; I11-L14 PolarHBondContact O-N 2.99Å; T12-L14 VanDerWaalsContact C-N 3.25Å; T12-L14 PolarHBondContact O-N 2.96Å; L14-P16 VanDerWaalsContact C-N 3.31Å; L14-P16 VanDerWaalsContact O-N 3.14Å; L14-L17 WeakPolarHBondContact O-CB 3.28Å; L14-L17 PolarHBondContact O-N 2.8Å; L14-L18 HydrophobicContact CB-CD1 3.83Å; L14-L18 HydrophobicContact CB-CG 4.44Å; L14-L18 WeakPolarHBondContact O-CG 3.45Å; L14-L18 PolarHBondContact O-N 2.98Å; L14-L85 HydrophobicContact CD1-CD1 3.92Å
15N83.6Confident79.9Confident40 Ų4086 Ų8621%0.21448%0.476CS..Hα-helixtrans-44.8-45.2179.8-77.7-1.8000114I11 L17 L18 T19 Y26I11-N15 PolarHBondContact O-N 2.87Å; I11-N15 PolarHBondContact O-OD1 2.8Å; I11-N15 VanDerWaalsContact O-OD1 3.04Å; N15-L17 PolarHBondContact O-N 3.13Å; N15-L18 PolarHBondContact O-N 3.03Å; N15-T19 HydrophobicContact CB-CG2 4.39Å; N15-T19 WeakPolarHBondContact O-CG2 3.3Å; N15-T19 PolarHBondContact O-N 3.1Å; N15-T19 PolarHBondContact O-OG1 3.33Å; N15-Y26 WeakPolarHBondContact OD1-CE1 3.31Å; N15-Y26 PolarHBondContact OD1-OH 3.38Å
16P84.8Confident81.6Confident97 Ų9781.9 Ų81.963%0.6345%0.454SS*.Hα-helixtrans-60.1-17.6179.8-24.335.3000115.5L14L14-P16 VanDerWaalsContact C-N 3.31Å; L14-P16 VanDerWaalsContact O-N 3.14Å
17L84.1Confident82.9Confident125 Ų12577 Ų7765%0.65442%0.423SS*.Hα-helixtrans-99.3-12.8176.8-55.5176.2000112.7L14 N15L14-L17 WeakPolarHBondContact O-CB 3.28Å; L14-L17 PolarHBondContact O-N 2.8Å; N15-L17 PolarHBondContact O-N 3.13Å
18L88.4Confident83.8Confident5 Ų572 Ų723%0.02640%0.395CS..Hα-helixtrans-116.5-8.1-171.9-56176.7000113.2L14 N15 Y26 L27 L78 I81 V82 L85L14-L18 HydrophobicContact CB-CD1 3.83Å; L14-L18 HydrophobicContact CB-CG 4.44Å; L14-L18 WeakPolarHBondContact O-CG 3.45Å; L14-L18 PolarHBondContact O-N 2.98Å; N15-L18 PolarHBondContact O-N 3.03Å; L18-Y26 HydrophobicContact CB-CD1 4.23Å; L18-Y26 CarbonylContact O-C 3.48Å; L18-Y26 WeakPolarHBondContact O-CA 3.46Å; L18-L27 WeakPolarHBondContact O-CG 3.3Å; L18-L27 PolarHBondContact O-N 2.83Å; L18-L78 HydrophobicContact CD2-CD1 4.41Å; L18-I81 HydrophobicContact CD2-CG2 4.02Å; L18-V82 HydrophobicContact CB-CG2 4.15Å; L18-V82 HydrophobicContact CD2-CG2 3.55Å; L18-V82 HydrophobicContact CG-CG2 4.4Å; L18-L85 HydrophobicContact CD1-CB 4.36Å; L18-L85 HydrophobicContact CD1-CD1 3.98Å; L18-L85 HydrophobicContact CD2-CD1 4.46Å
19T89.8Confident84.6Confident44 Ų4463.8 Ų63.827%0.2737%0.369SS..BIsolated β-bridgetrans-101.4140.117955.50000112.9N15 G25 Y26N15-T19 HydrophobicContact CB-CG2 4.39Å; N15-T19 WeakPolarHBondContact O-CG2 3.3Å; N15-T19 PolarHBondContact O-N 3.1Å; N15-T19 PolarHBondContact O-OG1 3.33Å; T19-G25 CarbonylContact C-O 3.56Å; T19-G25 VanDerWaalsContact CA-O 3.24Å; T19-G25 WeakPolarHBondContact CA-O 3.47Å; T19-Y26 HydrophobicContact CG2-CD1 4.23Å; T19-Y26 HydrophobicContact CG2-CE1 4.42Å
20C91.3Very high85.1Confident0 Ų059.6 Ų59.60%034%0.344CS..  trans-75.9126.3174.3-176.60000111.5L22 A24 G25 L27 C41C20-L22 PolarHBondContact O-N 3.35Å; C20-A24 WeakPolarHBondContact O-CA 3.33Å; C20-A24 PolarHBondContact O-N 2.85Å; C20-G25 PolarHBondContact N-O 3.03Å; C20-L27 HydrophobicContact CB-CD2 3.86Å; C20-C41 WeakPolarHBondContact CB-SG 3.23Å; C20-C41 PolarHBondContact SG-N 3.38Å; C20-C41 VanDerWaalsContact SG-N 3.37Å
21P88.7Confident85.6Confident74 Ų7453.1 Ų53.148%0.48132%0.316SS..THydrogen-bonded Turntrans-61.6-23.1176.9-25.234.3000115.1F40 R57P21-F40 HydrophobicContact CB-CE1 4.14Å; P21-F40 HydrophobicContact CG-CD1 4.24Å; P21-F40 HydrophobicContact CG-CE1 3.89Å; P21-R57 HydrophobicContact CG-CG 4.12Å
22L87.5Confident86.1Confident62 Ų6251 Ų5133%0.32531%0.306SS..THydrogen-bonded Turntrans-85.6-34-174.6-71.5170.3000113.8C20 F40 C44 I45 F48 P56C20-L22 PolarHBondContact O-N 3.35Å; L22-F40 HydrophobicContact CD1-CD1 3.82Å; L22-F40 HydrophobicContact CD1-CE1 4.42Å; L22-F40 HydrophobicContact CD1-CG 4.43Å; L22-F40 HydrophobicContact CG-CD1 3.97Å; L22-F40 HydrophobicContact CG-CE1 4.34Å; L22-C44 HydrophobicContact CB-CB 3.86Å; L22-C44 HydrophobicContact CD1-CB 3.74Å; L22-C44 WeakPolarHBondContact CD1-O 3.4Å; L22-C44 HydrophobicContact CG-CB 4.47Å; L22-I45 HydrophobicContact CD1-CD1 4.5Å; L22-F48 HydrophobicContact CD1-CB 4.16Å; L22-F48 HydrophobicContact CD2-CD2 3.98Å; L22-F48 HydrophobicContact CD2-CE2 4.45Å; L22-F48 HydrophobicContact CD2-CG 4.4Å; L22-P56 HydrophobicContact CD1-CG 3.99Å; L22-P56 HydrophobicContact CD2-CB 3.76Å; L22-P56 HydrophobicContact CD2-CG 3.86Å; L22-P56 HydrophobicContact CG-CB 4.46Å; L22-P56 HydrophobicContact CG-CG 4.13Å
23C87.9Confident86.4Confident69 Ų6946.6 Ų46.647%0.46628%0.279SS..THydrogen-bonded Turntrans-117.3-1.2-178.8680000114.1G25C23-G25 PolarHBondContact O-N 3.42Å
24A85.8Confident86.5Confident85 Ų8546 Ų4670%0.70228%0.279SS*.SBendtrans56.5-0.1-175.500000116.3C20C20-A24 WeakPolarHBondContact O-CA 3.33Å; C20-A24 PolarHBondContact O-N 2.85Å
25G86.6Confident86.6Confident31 Ų3149.6 Ų49.632%0.3229%0.294SS..SBendtrans-82.8173.9171.500000112.8T19 C20 C23T19-G25 CarbonylContact C-O 3.56Å; T19-G25 VanDerWaalsContact CA-O 3.24Å; T19-G25 WeakPolarHBondContact CA-O 3.47Å; C20-G25 PolarHBondContact N-O 3.03Å; C23-G25 PolarHBondContact O-N 3.42Å
26Y89Confident86.9Confident66 Ų6648.7 Ų48.726%0.25929%0.291SS..BIsolated β-bridgetrans-62.8150.7170.2-66.1-72.8000111.7N15 L18 T19 I28 V86 L89N15-Y26 WeakPolarHBondContact OD1-CE1 3.31Å; N15-Y26 PolarHBondContact OD1-OH 3.38Å; L18-Y26 HydrophobicContact CB-CD1 4.23Å; L18-Y26 CarbonylContact O-C 3.48Å; L18-Y26 WeakPolarHBondContact O-CA 3.46Å; T19-Y26 HydrophobicContact CG2-CD1 4.23Å; T19-Y26 HydrophobicContact CG2-CE1 4.42Å; Y26-I28 PolarHBondContact O-N 3.06Å; Y26-V86 HydrophobicContact CD1-CG1 4.38Å; Y26-V86 HydrophobicContact CD1-CG2 3.63Å; Y26-V86 HydrophobicContact CD2-CG1 3.87Å; Y26-V86 HydrophobicContact CE1-CG1 4.15Å; Y26-V86 HydrophobicContact CE1-CG2 3.63Å; Y26-V86 HydrophobicContact CE2-CG1 3.61Å; Y26-V86 HydrophobicContact CG-CG1 4.24Å; Y26-V86 HydrophobicContact CG-CG2 4.09Å; Y26-L89 VanDerWaalsContact CB-CD2 3.46Å; Y26-L89 HydrophobicContact CD2-CD1 4.1Å; Y26-L89 HydrophobicContact CD2-CD2 4.3Å; Y26-L89 HydrophobicContact CG-CD1 4.43Å; Y26-L89 HydrophobicContact CG-CD2 3.95Å
27L86.1Confident87.1Confident2 Ų250.3 Ų50.31%0.0129%0.293CS..PPolyproline II helixtrans-61.8122.7177.4-68.5164.9000111.1L18 C20 A30 L78 Q79 V82L18-L27 WeakPolarHBondContact O-CG 3.3Å; L18-L27 PolarHBondContact O-N 2.83Å; C20-L27 HydrophobicContact CB-CD2 3.86Å; L27-A30 HydrophobicContact CB-CB 4.12Å; L27-A30 HydrophobicContact CD1-CB 4.46Å; L27-L78 HydrophobicContact CD1-CD2 3.71Å; L27-L78 HydrophobicContact CD1-CG 4.09Å; L27-Q79 PolarHBondContact O-NE2 3.23Å; L27-Q79 PolarHBondContact O-OE1 3.45Å; L27-V82 HydrophobicContact CB-CG2 4.13Å; L27-V82 HydrophobicContact CD1-CG2 4.36Å; L27-V82 WeakPolarHBondContact O-CG1 3.32Å
28I84.6Confident87.3Confident45 Ų4547.2 Ų47.223%0.23128%0.275CS..SBendtrans-118.8128.8171.3-59.6-59.8000107.1Y26 C41 K42 Y83 L89 N93Y26-I28 PolarHBondContact O-N 3.06Å; I28-C41 PolarHBondContact N-SG 3.22Å; I28-C41 WeakPolarHBondContact O-CA 3.27Å; I28-C41 VanDerWaalsContact O-CB 3.25Å; I28-C41 WeakPolarHBondContact O-CB 3.44Å; I28-K42 PolarHBondContact O-N 3.23Å; I28-Y83 HydrophobicContact CD1-CE1 3.95Å; I28-L89 HydrophobicContact CD1-CD1 4.06Å; I28-L89 HydrophobicContact CD1-CD2 4.33Å; I28-L89 HydrophobicContact CD1-CG 4.15Å; I28-N93 VanDerWaalsContact CG2-ND2 3.31Å; I28-N93 WeakPolarHBondContact CG2-ND2 3.4Å
29D81.2Confident87.4Confident62 Ų6248.2 Ų48.233%0.33228%0.283SS..SBendtrans48.260.3-168.6-55.4-15.7000110.7T31 K42D29-T31 WeakPolarHBondContact O-CB 3.44Å; D29-T31 PolarHBondContact O-N 2.92Å; D29-T31 PolarHBondContact O-OG1 2.95Å; D29-K42 HydrophobicContact CB-CB 3.58Å; D29-K42 HydrophobicContact CB-CD 3.92Å; D29-K42 HydrophobicContact CB-CG 4.46Å; D29-K42 WeakPolarHBondContact O-CB 3.32Å; D29-K42 PolarHBondContact O-N 3.27Å
30A88.1Confident87.5Confident2 Ų246.1 Ų46.12%0.01727%0.27CS..EExtended strand (participates in β ladder)trans-51.8126.4-175.500000110.1L27 D75 L78 Q79L27-A30 HydrophobicContact CB-CB 4.12Å; L27-A30 HydrophobicContact CD1-CB 4.46Å; A30-D75 HydrophobicContact CB-CB 4.42Å; A30-D75 PolarHBondContact O-N 3.04Å; A30-L78 HydrophobicContact CB-CB 4.28Å; A30-L78 HydrophobicContact CB-CD2 4.26Å; A30-L78 HydrophobicContact CB-CG 4.19Å; A30-Q79 HydrophobicContact CB-CB 3.99Å
31T86.8Confident87.3Confident6 Ų646.4 Ų46.44%0.03727%0.272CS..EExtended strand (participates in β ladder)trans-137.9113.4-164.5-720000107.6D29 S39 F40 K42 I45 S72D29-T31 WeakPolarHBondContact O-CB 3.44Å; D29-T31 PolarHBondContact O-N 2.92Å; D29-T31 PolarHBondContact O-OG1 2.95Å; T31-S39 WeakPolarHBondContact O-CA 3.26Å; T31-F40 PolarHBondContact N-O 3.2Å; T31-F40 PolarHBondContact O-N 3.2Å; T31-K42 WeakPolarHBondContact OG1-CA 3.48Å; T31-K42 WeakPolarHBondContact OG1-CB 3.18Å; T31-I45 HydrophobicContact CG2-CG2 3.61Å; T31-S72 WeakPolarHBondContact CG2-OG 3.42Å
32T88.9Confident87.1Confident13 Ų1346.8 Ų46.88%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-105.8129.5-168.7-61.50000110.6L37 H38 S39 S72 R73 D75T32-L37 HydrophobicContact CG2-CD2 4.38Å; T32-H38 WeakPolarHBondContact CA-O 3.46Å; T32-S39 PolarHBondContact OG1-OG 3.06Å; T32-S72 WeakPolarHBondContact O-CA 3.3Å; T32-R73 PolarHBondContact N-O 2.68Å; T32-R73 PolarHBondContact O-N 2.6Å; T32-D75 WeakPolarHBondContact OG1-CB 3.45Å; T32-D75 PolarHBondContact OG1-OD2 3.4Å
33I86.9Confident86.9Confident1 Ų149 Ų491%0.00528%0.282CS..  trans-73.1127.6174.2-61.6177000108.8E35 C36 L37 H38 F40 I45 C55 V62I33-E35 HydrophobicContact CG2-CB 4.45Å; I33-C36 VanDerWaalsContact CG2-SG 3.53Å; I33-L37 WeakPolarHBondContact O-CA 3.43Å; I33-L37 PolarHBondContact O-N 2.93Å; I33-H38 PolarHBondContact N-O 3.03Å; I33-F40 HydrophobicContact CD1-CD2 4.17Å; I33-F40 HydrophobicContact CD1-CE2 3.54Å; I33-F40 HydrophobicContact CD1-CZ 4.4Å; I33-F40 HydrophobicContact CG1-CD2 4.33Å; I33-F40 HydrophobicContact CG1-CE2 4.07Å; I33-I45 HydrophobicContact CD1-CD1 4.05Å; I33-I45 HydrophobicContact CD1-CG1 4.48Å; I33-C55 HydrophobicContact CD1-CB 3.81Å; I33-V62 HydrophobicContact CD1-CG2 3.98Å; I33-V62 HydrophobicContact CG2-CG1 4.11Å; I33-V62 HydrophobicContact CG2-CG2 4.06Å
34V84.1Confident86.8Confident91 Ų9147.1 Ų47.155%0.55227%0.269SS*.THydrogen-bonded Turntrans-65.7-44.3-175.1-177.40000111.9C36V34-C36 VanDerWaalsContact C-N 3.33Å; V34-C36 PolarHBondContact O-N 3.17Å
35E85.2Confident86.8Confident121 Ų12143 Ų4357%0.56524%0.236SC*.THydrogen-bonded Turntrans-66.6-26.7-174.2-53.4-52.5116.700114.8I33 V60I33-E35 HydrophobicContact CG2-CB 4.45Å; E35-V60 HydrophobicContact CB-CG1 3.95Å
36C88.5Confident86.7Confident21 Ų2144.4 Ų44.414%0.14224%0.238CC..THydrogen-bonded Turntrans-133.4-0.1-173.865.60000115.1I33 V34 H38 V60I33-C36 VanDerWaalsContact CG2-SG 3.53Å; V34-C36 VanDerWaalsContact C-N 3.33Å; V34-C36 PolarHBondContact O-N 3.17Å; C36-H38 PolarHBondContact O-N 2.79Å; C36-H38 VanDerWaalsContact O-N 3.09Å; C36-V60 HydrophobicContact CB-CB 4.11Å; C36-V60 HydrophobicContact CB-CG1 4.26Å; C36-V60 HydrophobicContact CB-CG2 4.22Å
37L89.3Confident86.4Confident131 Ų13143.7 Ų43.769%0.68625%0.246SC*.  trans52.826.7179.1-54.8-179.8000115T32 I33T32-L37 HydrophobicContact CG2-CD2 4.38Å; I33-L37 WeakPolarHBondContact O-CA 3.43Å; I33-L37 PolarHBondContact O-N 2.93Å
38H89.5Confident86.3Confident60 Ų6046.4 Ų46.428%0.27826%0.257SS..  trans-87.9135.7170.9-66.4130.5000111.3T32 I33 C36 F40 R57 C58T32-H38 WeakPolarHBondContact CA-O 3.46Å; I33-H38 PolarHBondContact N-O 3.03Å; C36-H38 PolarHBondContact O-N 2.79Å; C36-H38 VanDerWaalsContact O-N 3.09Å; H38-F40 HydrophobicContact CB-CE2 3.67Å; H38-F40 HydrophobicContact CB-CZ 3.91Å; H38-F40 WeakPolarHBondContact O-CE2 3.4Å; H38-R57 HydrophobicContact CB-CB 4.45Å; H38-R57 PolarHBondContact NE2-NH1 2.86Å; H38-C58 WeakPolarHBondContact CE1-CB 3.23Å; H38-C58 PolarHBondContact CE1-SG 3.2Å; H38-C58 PolarHBondContact ND1-SG 3.24Å
39S90.6Very high86.2Confident27 Ų2744.5 Ų44.519%0.18925%0.248CC..EExtended strand (participates in β ladder)trans-108.6140.5-174.2-47.70000112.2T31 T32 L78T31-S39 WeakPolarHBondContact O-CA 3.26Å; T32-S39 PolarHBondContact OG1-OG 3.06Å; S39-L78 VanDerWaalsContact CB-CD2 3.42Å; S39-L78 VanDerWaalsContact OG-CD2 3.28Å; S39-L78 WeakPolarHBondContact OG-CD2 3.32Å
40F90.3Very high86.2Confident0 Ų048 Ų480%026%0.262CS..EExtended strand (participates in β ladder)trans-141.9168.4-176.8-55.5-90.5000110.2P21 L22 T31 I33 H38 I45 P56 R57P21-F40 HydrophobicContact CB-CE1 4.14Å; P21-F40 HydrophobicContact CG-CD1 4.24Å; P21-F40 HydrophobicContact CG-CE1 3.89Å; L22-F40 HydrophobicContact CD1-CD1 3.82Å; L22-F40 HydrophobicContact CD1-CE1 4.42Å; L22-F40 HydrophobicContact CD1-CG 4.43Å; L22-F40 HydrophobicContact CG-CD1 3.97Å; L22-F40 HydrophobicContact CG-CE1 4.34Å; T31-F40 PolarHBondContact N-O 3.2Å; T31-F40 PolarHBondContact O-N 3.2Å; I33-F40 HydrophobicContact CD1-CD2 4.17Å; I33-F40 HydrophobicContact CD1-CE2 3.54Å; I33-F40 HydrophobicContact CD1-CZ 4.4Å; I33-F40 HydrophobicContact CG1-CD2 4.33Å; I33-F40 HydrophobicContact CG1-CE2 4.07Å; H38-F40 HydrophobicContact CB-CE2 3.67Å; H38-F40 HydrophobicContact CB-CZ 3.91Å; H38-F40 WeakPolarHBondContact O-CE2 3.4Å; F40-I45 HydrophobicContact CB-CB 3.77Å; F40-I45 HydrophobicContact CB-CG1 4.43Å; F40-I45 HydrophobicContact CB-CG2 4.2Å; F40-I45 HydrophobicContact CD2-CB 4.38Å; F40-I45 HydrophobicContact CD2-CD1 3.98Å; F40-I45 HydrophobicContact CD2-CG1 4.11Å; F40-I45 HydrophobicContact CE2-CD1 4.25Å; F40-I45 HydrophobicContact CG-CB 4.19Å; F40-I45 HydrophobicContact CG-CD1 4.22Å; F40-I45 HydrophobicContact CG-CG1 4.36Å; F40-P56 HydrophobicContact CD1-CG 4.38Å; F40-P56 HydrophobicContact CE1-CG 3.7Å; F40-P56 HydrophobicContact CZ-CG 3.86Å; F40-R57 HydrophobicContact CE1-CB 4.28Å; F40-R57 HydrophobicContact CZ-CB 3.85Å
41C88.2Confident85.9Confident5 Ų553.5 Ų53.53%0.03430%0.296CS..EExtended strand (participates in β ladder)trans-69.7138.7165.7-560000109.9C20 I28 T43 C44 I45C20-C41 WeakPolarHBondContact CB-SG 3.23Å; C20-C41 PolarHBondContact SG-N 3.38Å; C20-C41 VanDerWaalsContact SG-N 3.37Å; I28-C41 PolarHBondContact N-SG 3.22Å; I28-C41 WeakPolarHBondContact O-CA 3.27Å; I28-C41 VanDerWaalsContact O-CB 3.25Å; I28-C41 WeakPolarHBondContact O-CB 3.44Å; C41-T43 VanDerWaalsContact C-N 3.34Å; C41-T43 PolarHBondContact O-N 2.79Å; C41-C44 HydrophobicContact CB-CB 4.15Å; C41-C44 PolarHBondContact O-N 2.95Å; C41-I45 WeakPolarHBondContact O-CG2 3.23Å; C41-I45 PolarHBondContact O-N 3Å
42K84.3Confident85.7Confident83 Ų8356.3 Ų56.336%0.36131%0.311SS..Hα-helixtrans-46.7-52.3179-176.4176.2178.2-179.20113.3I28 D29 T31 C44 I45 V46I28-K42 PolarHBondContact O-N 3.23Å; D29-K42 HydrophobicContact CB-CB 3.58Å; D29-K42 HydrophobicContact CB-CD 3.92Å; D29-K42 HydrophobicContact CB-CG 4.46Å; D29-K42 WeakPolarHBondContact O-CB 3.32Å; D29-K42 PolarHBondContact O-N 3.27Å; T31-K42 WeakPolarHBondContact OG1-CA 3.48Å; T31-K42 WeakPolarHBondContact OG1-CB 3.18Å; K42-C44 PolarHBondContact O-N 2.91Å; K42-I45 PolarHBondContact O-N 3.01Å; K42-V46 WeakPolarHBondContact O-CB 3.39Å; K42-V46 VanDerWaalsContact O-CG2 3.22Å; K42-V46 WeakPolarHBondContact O-CG2 3.29Å; K42-V46 PolarHBondContact O-N 3.38Å
43T83.3Confident85.4Confident107 Ų10759.6 Ų59.666%0.65632%0.324SS*.Hα-helixtrans-62.8-41.1-179.950.70000112.5C41 A47C41-T43 VanDerWaalsContact C-N 3.34Å; C41-T43 PolarHBondContact O-N 2.79Å; T43-A47 WeakPolarHBondContact O-CB 3.45Å; T43-A47 PolarHBondContact O-N 2.98Å; T43-A47 VanDerWaalsContact O-N 3.15Å
44C85.3Confident85.4Confident30 Ų3064.4 Ų64.420%0.20335%0.345CS..Hα-helixtrans-66.4-45.3-179.6-61.20000112.1L22 C41 K42 F48L22-C44 HydrophobicContact CB-CB 3.86Å; L22-C44 HydrophobicContact CD1-CB 3.74Å; L22-C44 WeakPolarHBondContact CD1-O 3.4Å; L22-C44 HydrophobicContact CG-CB 4.47Å; C41-C44 HydrophobicContact CB-CB 4.15Å; C41-C44 PolarHBondContact O-N 2.95Å; K42-C44 PolarHBondContact O-N 2.91Å; C44-F48 WeakPolarHBondContact O-CB 3.38Å; C44-F48 PolarHBondContact O-N 2.92Å
45I86.9Confident85.6Confident0 Ų060.1 Ų60.10%032%0.319CS..Hα-helixtrans-76.7-34-177.4-168.758.8000112.8L22 T31 I33 F40 C41 K42 F48 L49 P56L22-I45 HydrophobicContact CD1-CD1 4.5Å; T31-I45 HydrophobicContact CG2-CG2 3.61Å; I33-I45 HydrophobicContact CD1-CD1 4.05Å; I33-I45 HydrophobicContact CD1-CG1 4.48Å; F40-I45 HydrophobicContact CB-CB 3.77Å; F40-I45 HydrophobicContact CB-CG1 4.43Å; F40-I45 HydrophobicContact CB-CG2 4.2Å; F40-I45 HydrophobicContact CD2-CB 4.38Å; F40-I45 HydrophobicContact CD2-CD1 3.98Å; F40-I45 HydrophobicContact CD2-CG1 4.11Å; F40-I45 HydrophobicContact CE2-CD1 4.25Å; F40-I45 HydrophobicContact CG-CB 4.19Å; F40-I45 HydrophobicContact CG-CD1 4.22Å; F40-I45 HydrophobicContact CG-CG1 4.36Å; C41-I45 WeakPolarHBondContact O-CG2 3.23Å; C41-I45 PolarHBondContact O-N 3Å; K42-I45 PolarHBondContact O-N 3.01Å; I45-F48 PolarHBondContact O-N 3.38Å; I45-L49 HydrophobicContact CD1-CD1 3.97Å; I45-L49 HydrophobicContact CD1-CG 3.93Å; I45-L49 HydrophobicContact CG1-CD1 3.76Å; I45-L49 HydrophobicContact CG1-CG 4.16Å; I45-L49 VanDerWaalsContact O-CB 3.31Å; I45-L49 WeakPolarHBondContact O-CB 3.23Å; I45-L49 VanDerWaalsContact O-CG 3.25Å; I45-L49 WeakPolarHBondContact O-CG 3.14Å; I45-L49 PolarHBondContact O-N 3.42Å; I45-P56 HydrophobicContact CD1-CG 3.99Å
46V83.1Confident85.8Confident59 Ų5956.1 Ų56.136%0.35830%0.303SS..Hα-helixtrans-61.5-53.1173170.80000110.2K42 F48 L49 E50 I71K42-V46 WeakPolarHBondContact O-CB 3.39Å; K42-V46 VanDerWaalsContact O-CG2 3.22Å; K42-V46 WeakPolarHBondContact O-CG2 3.29Å; K42-V46 PolarHBondContact O-N 3.38Å; V46-F48 VanDerWaalsContact C-N 3.29Å; V46-F48 PolarHBondContact O-N 3.5Å; V46-L49 PolarHBondContact O-N 3.49Å; V46-L49 VanDerWaalsContact O-N 3.07Å; V46-E50 PolarHBondContact O-N 2.9Å; V46-I71 HydrophobicContact CG2-CG2 4.43Å
47A82.7Confident85.7Confident52 Ų5262.1 Ų62.143%0.4332%0.323SS..Hα-helixtrans-60.1-36.8178.100000112.9T43T43-A47 WeakPolarHBondContact O-CB 3.45Å; T43-A47 PolarHBondContact O-N 2.98Å; T43-A47 VanDerWaalsContact O-N 3.15Å
48F84.3Confident85.7Confident58 Ų5857.9 Ų57.925%0.25430%0.304SS..Hα-helixtrans-67.4-39.5175.1-171.1-92.8000112.4L22 C44 I45 V46 T51 N52 F54 P56L22-F48 HydrophobicContact CD1-CB 4.16Å; L22-F48 HydrophobicContact CD2-CD2 3.98Å; L22-F48 HydrophobicContact CD2-CE2 4.45Å; L22-F48 HydrophobicContact CD2-CG 4.4Å; C44-F48 WeakPolarHBondContact O-CB 3.38Å; C44-F48 PolarHBondContact O-N 2.92Å; I45-F48 PolarHBondContact O-N 3.38Å; V46-F48 VanDerWaalsContact C-N 3.29Å; V46-F48 PolarHBondContact O-N 3.5Å; F48-T51 PolarHBondContact O-N 2.91Å; F48-N52 HydrophobicContact CD1-CB 3.96Å; F48-N52 HydrophobicContact CE1-CB 3.5Å; F48-N52 VanDerWaalsContact CE2-ND2 3.33Å; F48-N52 WeakPolarHBondContact CE2-ND2 3.34Å; F48-N52 HydrophobicContact CZ-CB 3.88Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.48Å; F48-N52 WeakPolarHBondContact O-CB 3.3Å; F48-N52 PolarHBondContact O-N 3.34Å; F48-F54 WeakPolarHBondContact CE1-O 3.46Å; F48-P56 HydrophobicContact CD1-CB 4.09Å; F48-P56 HydrophobicContact CD1-CG 3.68Å; F48-P56 HydrophobicContact CD2-CB 4.41Å; F48-P56 HydrophobicContact CE1-CB 3.69Å; F48-P56 HydrophobicContact CE1-CG 3.74Å; F48-P56 HydrophobicContact CE2-CB 4.04Å; F48-P56 HydrophobicContact CG-CB 4.43Å; F48-P56 HydrophobicContact CG-CG 4.09Å; F48-P56 HydrophobicContact CZ-CB 3.67Å; F48-P56 HydrophobicContact CZ-CG 4.2Å
49L83.3Confident85.6Confident5 Ų561 Ų613%0.02632%0.322CS..Hα-helixtrans-81.3-9.3-177.6-68.4177.3000114.5I45 V46 N52 K53 V62 I71I45-L49 HydrophobicContact CD1-CD1 3.97Å; I45-L49 HydrophobicContact CD1-CG 3.93Å; I45-L49 HydrophobicContact CG1-CD1 3.76Å; I45-L49 HydrophobicContact CG1-CG 4.16Å; I45-L49 VanDerWaalsContact O-CB 3.31Å; I45-L49 WeakPolarHBondContact O-CB 3.23Å; I45-L49 VanDerWaalsContact O-CG 3.25Å; I45-L49 WeakPolarHBondContact O-CG 3.14Å; I45-L49 PolarHBondContact O-N 3.42Å; V46-L49 PolarHBondContact O-N 3.49Å; V46-L49 VanDerWaalsContact O-N 3.07Å; L49-N52 CarbonylContact C-O 3.45Å; L49-N52 VanDerWaalsContact CA-O 3.29Å; L49-N52 WeakPolarHBondContact CA-O 3.42Å; L49-K53 PolarHBondContact O-NZ 3.42Å; L49-V62 HydrophobicContact CD1-CG1 4.06Å; L49-V62 HydrophobicContact CD2-CB 4.24Å; L49-V62 HydrophobicContact CD2-CG2 3.97Å; L49-I71 HydrophobicContact CB-CD1 3.92Å; L49-I71 HydrophobicContact CD1-CD1 4.1Å; L49-I71 HydrophobicContact CD1-CG1 4.01Å; L49-I71 HydrophobicContact CD1-CG2 3.93Å
50E81.1Confident85.4Confident137 Ų13762.5 Ų62.564%0.6433%0.33SS*.Hα-helixtrans-61.7-53163.5-74.2163.6-163.700109.9V46 K53V46-E50 PolarHBondContact O-N 2.9Å; E50-K53 PolarHBondContact O-NZ 2.8Å
51T81.1Confident85.1Confident116 Ų11666.4 Ų66.471%0.71235%0.349SS*.Hα-helixtrans-79-51.5-179.5-54.50000112.1F48F48-T51 PolarHBondContact O-N 2.91Å
52N83.4Confident84.6Confident66 Ų6666.7 Ų66.735%0.35335%0.35SS..  trans-101.4166.3-173.4-64.4-55.2000112.2F48 L49F48-N52 HydrophobicContact CD1-CB 3.96Å; F48-N52 HydrophobicContact CE1-CB 3.5Å; F48-N52 VanDerWaalsContact CE2-ND2 3.33Å; F48-N52 WeakPolarHBondContact CE2-ND2 3.34Å; F48-N52 HydrophobicContact CZ-CB 3.88Å; F48-N52 WeakPolarHBondContact CZ-ND2 3.48Å; F48-N52 WeakPolarHBondContact O-CB 3.3Å; F48-N52 PolarHBondContact O-N 3.34Å; L49-N52 CarbonylContact C-O 3.45Å; L49-N52 VanDerWaalsContact CA-O 3.29Å; L49-N52 WeakPolarHBondContact CA-O 3.42Å
53K82.8Confident83.8Confident82 Ų8266.8 Ų66.836%0.35735%0.352SS..  trans-127.614.6178.7-56.9-67.9164.9-76.10113.2L49 E50 V62L49-K53 PolarHBondContact O-NZ 3.42Å; E50-K53 PolarHBondContact O-NZ 2.8Å; K53-V62 PolarHBondContact O-N 2.9Å
54F86.9Confident82.5Confident102 Ų10269.7 Ų69.745%0.44736%0.356SS..BIsolated β-bridgetrans-122156.4-176.7-58.5-79.9000110.3F48 P56 D59 V60 Q61F48-F54 WeakPolarHBondContact CE1-O 3.46Å; F54-P56 WeakPolarHBondContact O-CD 3.33Å; F54-D59 VanDerWaalsContact CD1-O 3.26Å; F54-D59 WeakPolarHBondContact CD1-O 3.41Å; F54-V60 CarbonylContact C-O 3.35Å; F54-V60 WeakPolarHBondContact CA-O 3.31Å; F54-Q61 HydrophobicContact CD1-CB 3.95Å; F54-Q61 HydrophobicContact CD1-CG 4.45Å; F54-Q61 HydrophobicContact CE1-CB 3.92Å; F54-Q61 HydrophobicContact CE1-CG 4.24Å
55C88.4Confident80.9Confident0 Ų073.8 Ų73.80%038%0.38CS..  trans-71.7123.2176.5173.50000110.5I33 R57 C58 D59 V60 V62I33-C55 HydrophobicContact CD1-CB 3.81Å; C55-R57 PolarHBondContact O-N 3.11Å; C55-C58 PolarHBondContact O-N 2.88Å; C55-D59 WeakPolarHBondContact O-CA 3.24Å; C55-D59 PolarHBondContact O-N 3.24Å; C55-V60 PolarHBondContact N-O 3.03Å; C55-V62 HydrophobicContact CB-CG2 4.37Å
56P87.8Confident79.1Confident38 Ų3876.9 Ų76.925%0.24740%0.4CS..THydrogen-bonded Turntrans-64.93-178.515-20.6000115.9L22 F40 I45 F48 F54L22-P56 HydrophobicContact CD1-CG 3.99Å; L22-P56 HydrophobicContact CD2-CB 3.76Å; L22-P56 HydrophobicContact CD2-CG 3.86Å; L22-P56 HydrophobicContact CG-CB 4.46Å; L22-P56 HydrophobicContact CG-CG 4.13Å; F40-P56 HydrophobicContact CD1-CG 4.38Å; F40-P56 HydrophobicContact CE1-CG 3.7Å; F40-P56 HydrophobicContact CZ-CG 3.86Å; I45-P56 HydrophobicContact CD1-CG 3.99Å; F48-P56 HydrophobicContact CD1-CB 4.09Å; F48-P56 HydrophobicContact CD1-CG 3.68Å; F48-P56 HydrophobicContact CD2-CB 4.41Å; F48-P56 HydrophobicContact CE1-CB 3.69Å; F48-P56 HydrophobicContact CE1-CG 3.74Å; F48-P56 HydrophobicContact CE2-CB 4.04Å; F48-P56 HydrophobicContact CG-CB 4.43Å; F48-P56 HydrophobicContact CG-CG 4.09Å; F48-P56 HydrophobicContact CZ-CB 3.67Å; F48-P56 HydrophobicContact CZ-CG 4.2Å; F54-P56 WeakPolarHBondContact O-CD 3.33Å
57R87.6Confident77.6Confident146 Ų14677.4 Ų77.455%0.55141%0.405SS*.THydrogen-bonded Turntrans-121.3-12.6-174.6-153.1-80.4-147.2-173.84.2113.3P21 H38 F40 C55P21-R57 HydrophobicContact CG-CG 4.12Å; H38-R57 HydrophobicContact CB-CB 4.45Å; H38-R57 PolarHBondContact NE2-NH1 2.86Å; F40-R57 HydrophobicContact CE1-CB 4.28Å; F40-R57 HydrophobicContact CZ-CB 3.85Å; C55-R57 PolarHBondContact O-N 3.11Å
58C90Very high76Confident43 Ų4384.1 Ų84.129%0.29143%0.427SS..THydrogen-bonded Turntrans-158.26.3-178.763.80000115H38 C55 V60H38-C58 WeakPolarHBondContact CE1-CB 3.23Å; H38-C58 PolarHBondContact CE1-SG 3.2Å; H38-C58 PolarHBondContact ND1-SG 3.24Å; C55-C58 PolarHBondContact O-N 2.88Å; C58-V60 HydrophobicContact CB-CG2 4.46Å; C58-V60 PolarHBondContact O-N 3.02Å
59D86.1Confident74.2Confident124 Ų12489.1 Ų89.166%0.66346%0.456SS*.  trans54.515.3178.9-57.2-46.8000116.5F54 C55 Q61F54-D59 VanDerWaalsContact CD1-O 3.26Å; F54-D59 WeakPolarHBondContact CD1-O 3.41Å; C55-D59 WeakPolarHBondContact O-CA 3.24Å; C55-D59 PolarHBondContact O-N 3.24Å; D59-Q61 PolarHBondContact O-N 3.03Å
60V86.5Confident72.4Confident59 Ų5990.6 Ų90.636%0.35847%0.467SS..  trans-64.3130.6169.5173.60000109.6E35 C36 F54 C55 C58 V62E35-V60 HydrophobicContact CB-CG1 3.95Å; C36-V60 HydrophobicContact CB-CB 4.11Å; C36-V60 HydrophobicContact CB-CG1 4.26Å; C36-V60 HydrophobicContact CB-CG2 4.22Å; F54-V60 CarbonylContact C-O 3.35Å; F54-V60 WeakPolarHBondContact CA-O 3.31Å; C55-V60 PolarHBondContact N-O 3.03Å; C58-V60 HydrophobicContact CB-CG2 4.46Å; C58-V60 PolarHBondContact O-N 3.02Å; V60-V62 PolarHBondContact O-N 3.43Å
61Q85.1Confident71.1Confident82 Ų8286.1 Ų86.138%0.38345%0.447SS..BIsolated β-bridgetrans-63.9127178.2-174.2172.529.300110.6F54 D59F54-Q61 HydrophobicContact CD1-CB 3.95Å; F54-Q61 HydrophobicContact CD1-CG 4.45Å; F54-Q61 HydrophobicContact CE1-CB 3.92Å; F54-Q61 HydrophobicContact CE1-CG 4.24Å; D59-Q61 PolarHBondContact O-N 3.03Å
62V77.6Confident70Confident11 Ų1181.7 Ų81.77%0.06742%0.421CS..  trans-83.7-43.2-172.81790000112.2I33 L49 K53 C55 V60I33-V62 HydrophobicContact CD1-CG2 3.98Å; I33-V62 HydrophobicContact CG2-CG1 4.11Å; I33-V62 HydrophobicContact CG2-CG2 4.06Å; L49-V62 HydrophobicContact CD1-CG1 4.06Å; L49-V62 HydrophobicContact CD2-CB 4.24Å; L49-V62 HydrophobicContact CD2-CG2 3.97Å; K53-V62 PolarHBondContact O-N 2.9Å; C55-V62 HydrophobicContact CB-CG2 4.37Å; V60-V62 PolarHBondContact O-N 3.43Å
63H66.6Low69.4Low85 Ų8588.1 Ų88.139%0.39444%0.44SS..  trans-163.1172.5168.2-150.546.4000113.3S70H63-S70 VanDerWaalsContact CB-OG 3.29Å; H63-S70 WeakPolarHBondContact CB-OG 3.4Å; H63-S70 VanDerWaalsContact CD2-CB 3.43Å; H63-S70 WeakPolarHBondContact CD2-CB 3.42Å; H63-S70 PolarHBondContact CD2-OG 3.43Å; H63-S70 VanDerWaalsContact CG-OG 3.23Å
64K56.5Low69.3Low169 Ų16986.6 Ų86.674%0.73544%0.443SS*.SBendtrans-111.8-24-177.7-73-176.7179.5178.40116.2
65T50.4Low69.1Low116 Ų11684 Ų8471%0.71243%0.433SS*.SBendtrans-128.6-31.4-166.240.60000117.8
66C49.3Very low68.8Low64 Ų6489.3 Ų89.343%0.43246%0.456SS..  trans-147.6109.2-177.8-92.40000113.7Q68 S70C66-Q68 PolarHBondContact O-N 2.85Å; C66-S70 PolarHBondContact O-OG 3.29Å
67P51.9Low68.5Low70 Ų7092.2 Ų92.246%0.45547%0.474SS..Hα-helixtrans-52.7-51.8172.1-29.937.8000113.7L69 I71P67-L69 VanDerWaalsContact C-N 3.29Å; P67-L69 PolarHBondContact O-N 3.3Å; P67-L69 VanDerWaalsContact O-N 3.15Å; P67-I71 VanDerWaalsContact CA-CD1 3.49Å; P67-I71 HydrophobicContact CB-CD1 3.53Å; P67-I71 HydrophobicContact CB-CG1 4.44Å; P67-I71 WeakPolarHBondContact O-CB 3.2Å; P67-I71 WeakPolarHBondContact O-CD1 3.48Å; P67-I71 WeakPolarHBondContact O-CG1 3.28Å; P67-I71 PolarHBondContact O-N 2.6Å; P67-I71 VanDerWaalsContact O-N 3.12Å
68Q49.2Very low68.4Low193 Ų19386.6 Ų86.690%0.90245%0.454SS*.Hα-helixtrans-73.3-13-163.5-62.4-177.7-1.300115.6C66C66-Q68 PolarHBondContact O-N 2.85Å
69L47.4Very low68.2Low163 Ų16385.2 Ų85.285%0.85344%0.444SS*.Hα-helixtrans-115.5-16.4-177.2-71168.5000114P67P67-L69 VanDerWaalsContact C-N 3.29Å; P67-L69 PolarHBondContact O-N 3.3Å; P67-L69 VanDerWaalsContact O-N 3.15Å
70S43.6Very low67.9Low36 Ų3683.1 Ų83.125%0.25243%0.432SS..Hα-helixtrans-115.1-12.1-179.4760000114H63 C66 S72H63-S70 VanDerWaalsContact CB-OG 3.29Å; H63-S70 WeakPolarHBondContact CB-OG 3.4Å; H63-S70 VanDerWaalsContact CD2-CB 3.43Å; H63-S70 WeakPolarHBondContact CD2-CB 3.42Å; H63-S70 PolarHBondContact CD2-OG 3.43Å; H63-S70 VanDerWaalsContact CG-OG 3.23Å; C66-S70 PolarHBondContact O-OG 3.29Å; S70-S72 PolarHBondContact O-N 2.93Å
71I54.6Low67.8Low44 Ų4483.9 Ų83.923%0.22643%0.434CS..SBendtrans-71.897.6-178.9-73.7175.5000109.8V46 L49 P67V46-I71 HydrophobicContact CG2-CG2 4.43Å; L49-I71 HydrophobicContact CB-CD1 3.92Å; L49-I71 HydrophobicContact CD1-CD1 4.1Å; L49-I71 HydrophobicContact CD1-CG1 4.01Å; L49-I71 HydrophobicContact CD1-CG2 3.93Å; P67-I71 VanDerWaalsContact CA-CD1 3.49Å; P67-I71 HydrophobicContact CB-CD1 3.53Å; P67-I71 HydrophobicContact CB-CG1 4.44Å; P67-I71 WeakPolarHBondContact O-CB 3.2Å; P67-I71 WeakPolarHBondContact O-CD1 3.48Å; P67-I71 WeakPolarHBondContact O-CG1 3.28Å; P67-I71 PolarHBondContact O-N 2.6Å; P67-I71 VanDerWaalsContact O-N 3.12Å
72S58.7Low67.8Low23 Ų2380 Ų8016%0.16142%0.415CS..  trans61.2125.1152590000117.6T31 T32 S70 A74T31-S72 WeakPolarHBondContact CG2-OG 3.42Å; T32-S72 WeakPolarHBondContact O-CA 3.3Å; S70-S72 PolarHBondContact O-N 2.93Å; S72-A74 PolarHBondContact O-N 3.22Å
73R70Confident67.9Low201 Ų20181.6 Ų81.676%0.75842%0.421SS*.EExtended strand (participates in β ladder)trans-77.8126.3178.1-174.6175.7179.4169.7-0.4109.1T32 D75T32-R73 PolarHBondContact N-O 2.68Å; T32-R73 PolarHBondContact O-N 2.6Å; R73-D75 PolarHBondContact O-N 3.48Å
74A80.4Confident68.5Low50 Ų5084.9 Ų84.941%0.41343%0.434SS..EExtended strand (participates in β ladder)trans-59.4120.9168.600000109.6S72 K76S72-A74 PolarHBondContact O-N 3.22Å; A74-K76 PolarHBondContact O-N 3.22Å
75D84.1Confident69.5Low46 Ų4680.6 Ų80.625%0.24642%0.419CS..  trans-96.577-174.6-161.6-31.9000109.7A30 T32 R73 T77 L78 Q79A30-D75 HydrophobicContact CB-CB 4.42Å; A30-D75 PolarHBondContact O-N 3.04Å; T32-D75 WeakPolarHBondContact OG1-CB 3.45Å; T32-D75 PolarHBondContact OG1-OD2 3.4Å; R73-D75 PolarHBondContact O-N 3.48Å; D75-T77 PolarHBondContact O-N 3Å; D75-L78 HydrophobicContact CB-CB 4.01Å; D75-L78 VanDerWaalsContact CG-CB 3.45Å; D75-L78 PolarHBondContact O-N 3.01Å; D75-L78 WeakPolarHBondContact OD1-CB 3.21Å; D75-L78 PolarHBondContact OD1-N 2.88Å; D75-Q79 PolarHBondContact O-N 2.92Å
76K81.1Confident70.7Confident112 Ų11275.6 Ų75.649%0.48739%0.388SS..Hα-helixtrans-58.6-34.6-177.6-59.2-162.2174.2-146.40112A74 Q79 D80 E208A74-K76 PolarHBondContact O-N 3.22Å; K76-Q79 PolarHBondContact O-N 3.23Å; K76-D80 VanDerWaalsContact O-CB 3.27Å; K76-D80 WeakPolarHBondContact O-CB 3.38Å; K76-D80 PolarHBondContact O-N 3.46Å; K76-E208 WeakPolarHBondContact CE-OE2 3.39Å; K76-E208 IonicContact NZ-OE2 2.77Å; K76-E208 PolarHBondContact NZ-OE2 3.4Å
77T82.8Confident71.6Confident99 Ų9978 Ų7861%0.60740%0.403SS*.Hα-helixtrans-68.2-45.8178.2-530000111.4D75 D80 I81D75-T77 PolarHBondContact O-N 3Å; T77-D80 WeakPolarHBondContact O-CB 3.27Å; T77-D80 PolarHBondContact O-N 2.66Å; T77-I81 HydrophobicContact CG2-CD1 4.13Å; T77-I81 WeakPolarHBondContact O-CD1 3.48Å; T77-I81 VanDerWaalsContact O-CG1 3.23Å; T77-I81 WeakPolarHBondContact O-CG1 3.31Å; T77-I81 PolarHBondContact O-N 3.24Å
78L85.5Confident72Confident28 Ų2877.2 Ų77.215%0.14741%0.407CS..Hα-helixtrans-64.6-41174.9-17757.5000111.4L18 L27 A30 S39 D75 I81 V82L18-L78 HydrophobicContact CD2-CD1 4.41Å; L27-L78 HydrophobicContact CD1-CD2 3.71Å; L27-L78 HydrophobicContact CD1-CG 4.09Å; A30-L78 HydrophobicContact CB-CB 4.28Å; A30-L78 HydrophobicContact CB-CD2 4.26Å; A30-L78 HydrophobicContact CB-CG 4.19Å; S39-L78 VanDerWaalsContact CB-CD2 3.42Å; S39-L78 VanDerWaalsContact OG-CD2 3.28Å; S39-L78 WeakPolarHBondContact OG-CD2 3.32Å; D75-L78 HydrophobicContact CB-CB 4.01Å; D75-L78 VanDerWaalsContact CG-CB 3.45Å; D75-L78 PolarHBondContact O-N 3.01Å; D75-L78 WeakPolarHBondContact OD1-CB 3.21Å; D75-L78 PolarHBondContact OD1-N 2.88Å; L78-I81 WeakPolarHBondContact O-CB 3.46Å; L78-I81 PolarHBondContact O-N 3.32Å; L78-V82 HydrophobicContact CD1-CG2 4.39Å; L78-V82 HydrophobicContact CG-CG2 4.49Å; L78-V82 WeakPolarHBondContact O-CG2 3.28Å; L78-V82 PolarHBondContact O-N 2.8Å
79Q84.8Confident72.8Confident15 Ų1569.7 Ų69.77%0.0737%0.373CS..Hα-helixtrans-63.9-42.3177.6-168.156.756.600112.4L27 A30 D75 K76 I81 V82 Y83L27-Q79 PolarHBondContact O-NE2 3.23Å; L27-Q79 PolarHBondContact O-OE1 3.45Å; A30-Q79 HydrophobicContact CB-CB 3.99Å; D75-Q79 PolarHBondContact O-N 2.92Å; K76-Q79 PolarHBondContact O-N 3.23Å; Q79-I81 VanDerWaalsContact C-N 3.32Å; Q79-I81 PolarHBondContact O-N 2.78Å; Q79-V82 PolarHBondContact O-N 2.86Å; Q79-Y83 HydrophobicContact CG-CD2 3.83Å; Q79-Y83 HydrophobicContact CG-CE2 3.5Å; Q79-Y83 VanDerWaalsContact CG-CE2 3.5Å; Q79-Y83 PolarHBondContact O-N 3.21Å
80D80.3Confident73.4Confident79 Ų7964.7 Ų64.742%0.42234%0.344SS..Hα-helixtrans-57.6-44.5172.3-96.127.8000111.8K76 T77 Y83 K84K76-D80 VanDerWaalsContact O-CB 3.27Å; K76-D80 WeakPolarHBondContact O-CB 3.38Å; K76-D80 PolarHBondContact O-N 3.46Å; T77-D80 WeakPolarHBondContact O-CB 3.27Å; T77-D80 PolarHBondContact O-N 2.66Å; D80-Y83 PolarHBondContact O-N 2.99Å; D80-K84 VanDerWaalsContact O-CB 3.23Å; D80-K84 WeakPolarHBondContact O-CB 3.35Å; D80-K84 WeakPolarHBondContact O-CD 3.27Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 3.3Å; D80-K84 IonicContact OD2-NZ 2.79Å; D80-K84 PolarHBondContact OD2-NZ 3.01Å
81I85.1Confident74.2Confident75 Ų7569 Ų6939%0.38536%0.358SS..Hα-helixtrans-62.1-47.5177.1-72.3165000109.9L18 T77 L78 Q79 Y83 K84 L85L18-I81 HydrophobicContact CD2-CG2 4.02Å; T77-I81 HydrophobicContact CG2-CD1 4.13Å; T77-I81 WeakPolarHBondContact O-CD1 3.48Å; T77-I81 VanDerWaalsContact O-CG1 3.23Å; T77-I81 WeakPolarHBondContact O-CG1 3.31Å; T77-I81 PolarHBondContact O-N 3.24Å; L78-I81 WeakPolarHBondContact O-CB 3.46Å; L78-I81 PolarHBondContact O-N 3.32Å; Q79-I81 VanDerWaalsContact C-N 3.32Å; Q79-I81 PolarHBondContact O-N 2.78Å; I81-Y83 PolarHBondContact O-N 3.3Å; I81-K84 PolarHBondContact O-N 2.9Å; I81-L85 HydrophobicContact CG2-CD1 3.54Å; I81-L85 HydrophobicContact CG2-CG 4.25Å; I81-L85 VanDerWaalsContact O-CB 3.26Å; I81-L85 WeakPolarHBondContact O-CB 3.44Å; I81-L85 VanDerWaalsContact O-CG 3.23Å; I81-L85 WeakPolarHBondContact O-CG 3.42Å; I81-L85 PolarHBondContact O-N 2.99Å
82V84.1Confident74.5Confident0 Ų068.8 Ų68.80%037%0.367CS..Hα-helixtrans-59.7-47.9177.9173.90000111.1L18 L27 L78 Q79 K84 L85 V86 L89L18-V82 HydrophobicContact CB-CG2 4.15Å; L18-V82 HydrophobicContact CD2-CG2 3.55Å; L18-V82 HydrophobicContact CG-CG2 4.4Å; L27-V82 HydrophobicContact CB-CG2 4.13Å; L27-V82 HydrophobicContact CD1-CG2 4.36Å; L27-V82 WeakPolarHBondContact O-CG1 3.32Å; L78-V82 HydrophobicContact CD1-CG2 4.39Å; L78-V82 HydrophobicContact CG-CG2 4.49Å; L78-V82 WeakPolarHBondContact O-CG2 3.28Å; L78-V82 PolarHBondContact O-N 2.8Å; Q79-V82 PolarHBondContact O-N 2.86Å; V82-K84 PolarHBondContact O-N 2.98Å; V82-L85 PolarHBondContact O-N 2.93Å; V82-V86 HydrophobicContact CG1-CG2 4.26Å; V82-V86 WeakPolarHBondContact O-CB 3.39Å; V82-V86 VanDerWaalsContact O-CG2 3.3Å; V82-V86 WeakPolarHBondContact O-CG2 3.43Å; V82-V86 PolarHBondContact O-N 3.4Å; V82-L89 HydrophobicContact CG1-CD2 3.52Å
83Y79.1Confident74.7Confident45 Ų4569.4 Ų69.418%0.17637%0.369CS..Hα-helixtrans-68.8-31.6179-71.4-30.6000113.9I28 Q79 D80 I81 L89 F90 N93I28-Y83 HydrophobicContact CD1-CE1 3.95Å; Q79-Y83 HydrophobicContact CG-CD2 3.83Å; Q79-Y83 HydrophobicContact CG-CE2 3.5Å; Q79-Y83 VanDerWaalsContact CG-CE2 3.5Å; Q79-Y83 PolarHBondContact O-N 3.21Å; D80-Y83 PolarHBondContact O-N 2.99Å; I81-Y83 PolarHBondContact O-N 3.3Å; Y83-L89 HydrophobicContact CD1-CD2 4.31Å; Y83-L89 HydrophobicContact CD1-CG 4.47Å; Y83-F90 HydrophobicContact CD1-CB 4.12Å; Y83-F90 HydrophobicContact CD1-CD2 4.19Å; Y83-F90 AromaticContact CD2-CD2 3.86Å; Y83-F90 HydrophobicContact CD2-CD2 3.86Å; Y83-F90 HydrophobicContact CD2-CE2 4.41Å; Y83-F90 HydrophobicContact CE2-CD2 4.24Å; Y83-F90 HydrophobicContact CG-CB 4.29Å; Y83-F90 AromaticContact CG-CD2 3.83Å; Y83-F90 HydrophobicContact CG-CD2 3.83Å; Y83-N93 PolarHBondContact OH-ND2 3.12Å
84K78.8Confident74.3Confident155 Ų15560.4 Ų60.467%0.67434%0.336SS*.Hα-helixtrans-77.5-29.7176.1-72.7162.6-176.4158.50112.8D80 I81 V82D80-K84 VanDerWaalsContact O-CB 3.23Å; D80-K84 WeakPolarHBondContact O-CB 3.35Å; D80-K84 WeakPolarHBondContact O-CD 3.27Å; D80-K84 WeakPolarHBondContact O-CG 3.49Å; D80-K84 PolarHBondContact O-N 3.3Å; D80-K84 IonicContact OD2-NZ 2.79Å; D80-K84 PolarHBondContact OD2-NZ 3.01Å; I81-K84 PolarHBondContact O-N 2.9Å; V82-K84 PolarHBondContact O-N 2.98Å
85L77.9Confident73.3Confident79 Ų7960.9 Ų60.941%0.41433%0.331SS..Hα-helixtrans-90.6-34.2-177.6-69.7178.5000114.4L14 L18 I81 V82 P87L14-L85 HydrophobicContact CD1-CD1 3.92Å; L18-L85 HydrophobicContact CD1-CB 4.36Å; L18-L85 HydrophobicContact CD1-CD1 3.98Å; L18-L85 HydrophobicContact CD2-CD1 4.46Å; I81-L85 HydrophobicContact CG2-CD1 3.54Å; I81-L85 HydrophobicContact CG2-CG 4.25Å; I81-L85 VanDerWaalsContact O-CB 3.26Å; I81-L85 WeakPolarHBondContact O-CB 3.44Å; I81-L85 VanDerWaalsContact O-CG 3.23Å; I81-L85 WeakPolarHBondContact O-CG 3.42Å; I81-L85 PolarHBondContact O-N 2.99Å; V82-L85 PolarHBondContact O-N 2.93Å; L85-P87 VanDerWaalsContact O-CD 3.3Å; L85-P87 WeakPolarHBondContact O-CD 3.23Å
86V77.2Confident72.4Confident10 Ų1061.9 Ų61.96%0.06133%0.334CS..SBendtrans-94.5106.9-174.6-170.30000111.1I11 Y26 V82 G88 L89I11-V86 HydrophobicContact CD1-CB 4.28Å; I11-V86 HydrophobicContact CD1-CG1 4.25Å; I11-V86 HydrophobicContact CD1-CG2 4.11Å; Y26-V86 HydrophobicContact CD1-CG1 4.38Å; Y26-V86 HydrophobicContact CD1-CG2 3.63Å; Y26-V86 HydrophobicContact CD2-CG1 3.87Å; Y26-V86 HydrophobicContact CE1-CG1 4.15Å; Y26-V86 HydrophobicContact CE1-CG2 3.63Å; Y26-V86 HydrophobicContact CE2-CG1 3.61Å; Y26-V86 HydrophobicContact CG-CG1 4.24Å; Y26-V86 HydrophobicContact CG-CG2 4.09Å; V82-V86 HydrophobicContact CG1-CG2 4.26Å; V82-V86 WeakPolarHBondContact O-CB 3.39Å; V82-V86 VanDerWaalsContact O-CG2 3.3Å; V82-V86 WeakPolarHBondContact O-CG2 3.43Å; V82-V86 PolarHBondContact O-N 3.4Å; V86-G88 PolarHBondContact O-N 2.9Å; V86-L89 HydrophobicContact CB-CB 3.79Å; V86-L89 HydrophobicContact CB-CD2 3.87Å; V86-L89 HydrophobicContact CB-CG 4.49Å; V86-L89 HydrophobicContact CG1-CB 3.62Å; V86-L89 HydrophobicContact CG1-CD2 4.09Å; V86-L89 HydrophobicContact CG1-CG 4.39Å; V86-L89 HydrophobicContact CG2-CD2 4.08Å; V86-L89 PolarHBondContact O-N 3.49Å
87P67.8Low71.5Confident116 Ų11657.6 Ų57.675%0.75332%0.316SS*.THydrogen-bonded Turntrans-64.6132.8-178-18.833.3000111.1L85 L89L85-P87 VanDerWaalsContact O-CD 3.3Å; L85-P87 WeakPolarHBondContact O-CD 3.23Å; P87-L89 PolarHBondContact O-N 3.46Å
88G60.6Low70.6Confident52 Ų5257.6 Ų57.654%0.53631%0.308SS..THydrogen-bonded Turntrans78.4-13.2176.700000115.5V86 K91 G92V86-G88 PolarHBondContact O-N 2.9Å; G88-K91 CarbonylContact O-C 3.55Å; G88-K91 PolarHBondContact O-N 3.28Å; G88-G92 PolarHBondContact O-N 2.88Å
89L64.4Low69.7Low35 Ų3563.3 Ų63.318%0.18333%0.327CS..Hα-helixtrans-64-48.9176.6-177.470.3000111.8Y26 I28 V82 Y83 V86 P87 K91 G92 N93Y26-L89 VanDerWaalsContact CB-CD2 3.46Å; Y26-L89 HydrophobicContact CD2-CD1 4.1Å; Y26-L89 HydrophobicContact CD2-CD2 4.3Å; Y26-L89 HydrophobicContact CG-CD1 4.43Å; Y26-L89 HydrophobicContact CG-CD2 3.95Å; I28-L89 HydrophobicContact CD1-CD1 4.06Å; I28-L89 HydrophobicContact CD1-CD2 4.33Å; I28-L89 HydrophobicContact CD1-CG 4.15Å; V82-L89 HydrophobicContact CG1-CD2 3.52Å; Y83-L89 HydrophobicContact CD1-CD2 4.31Å; Y83-L89 HydrophobicContact CD1-CG 4.47Å; V86-L89 HydrophobicContact CB-CB 3.79Å; V86-L89 HydrophobicContact CB-CD2 3.87Å; V86-L89 HydrophobicContact CB-CG 4.49Å; V86-L89 HydrophobicContact CG1-CB 3.62Å; V86-L89 HydrophobicContact CG1-CD2 4.09Å; V86-L89 HydrophobicContact CG1-CG 4.39Å; V86-L89 HydrophobicContact CG2-CD2 4.08Å; V86-L89 PolarHBondContact O-N 3.49Å; P87-L89 PolarHBondContact O-N 3.46Å; L89-K91 PolarHBondContact O-N 3.05Å; L89-G92 PolarHBondContact O-N 3.32Å; L89-N93 PolarHBondContact O-N 2.99Å
90F60.9Low68.7Low58 Ų5868.4 Ų68.425%0.25435%0.346SS..Hα-helixtrans-56.4-40.8173.3-178.8-104.2000111.3Y83 L94Y83-F90 HydrophobicContact CD1-CB 4.12Å; Y83-F90 HydrophobicContact CD1-CD2 4.19Å; Y83-F90 AromaticContact CD2-CD2 3.86Å; Y83-F90 HydrophobicContact CD2-CD2 3.86Å; Y83-F90 HydrophobicContact CD2-CE2 4.41Å; Y83-F90 HydrophobicContact CE2-CD2 4.24Å; Y83-F90 HydrophobicContact CG-CB 4.29Å; Y83-F90 AromaticContact CG-CD2 3.83Å; Y83-F90 HydrophobicContact CG-CD2 3.83Å; F90-L94 HydrophobicContact CE1-CD1 4.11Å; F90-L94 HydrophobicContact CZ-CD1 4.09Å; F90-L94 WeakPolarHBondContact O-CB 3.19Å; F90-L94 PolarHBondContact O-N 3.47Å
91K59.7Low67.8Low127 Ų12767.7 Ų67.755%0.55234%0.338SS*.Hα-helixtrans-69.9-40.4178.7-169.6172.5179.3-174.10112.5G88 L89 L94 D95G88-K91 CarbonylContact O-C 3.55Å; G88-K91 PolarHBondContact O-N 3.28Å; L89-K91 PolarHBondContact O-N 3.05Å; K91-L94 PolarHBondContact O-N 2.85Å; K91-D95 VanDerWaalsContact O-CB 3.31Å; K91-D95 WeakPolarHBondContact O-CB 3.5Å; K91-D95 PolarHBondContact O-N 3.39Å
92G60.8Low67Low40 Ų4067.3 Ų67.341%0.41234%0.336SS..Hα-helixtrans-65.3-40.2176.100000112.6G88 L89 E96G88-G92 PolarHBondContact O-N 2.88Å; L89-G92 PolarHBondContact O-N 3.32Å; G92-E96 VanDerWaalsContact O-CB 3.23Å; G92-E96 WeakPolarHBondContact O-CB 3.25Å; G92-E96 PolarHBondContact O-N 3.24Å
93N62.5Low66.1Low35 Ų3572.5 Ų72.519%0.18736%0.359CS..Hα-helixtrans-63-47.2170.8-177.7-70.5000110.8I28 Y83 L89 D95 E96 M97I28-N93 VanDerWaalsContact CG2-ND2 3.31Å; I28-N93 WeakPolarHBondContact CG2-ND2 3.4Å; Y83-N93 PolarHBondContact OH-ND2 3.12Å; L89-N93 PolarHBondContact O-N 2.99Å; N93-D95 PolarHBondContact O-N 2.93Å; N93-E96 CarbonylContact O-C 3.46Å; N93-E96 WeakPolarHBondContact O-CB 3.5Å; N93-E96 PolarHBondContact O-N 3.3Å; N93-M97 WeakPolarHBondContact O-CG 3.41Å; N93-M97 PolarHBondContact O-N 3.22Å
94L61.9Low65Low13 Ų1378 Ų787%0.06838%0.381CS..Hα-helixtrans-64.4-39.2179.8-167.1119.3000113F90 K91 M97 K98 Y198 F206F90-L94 HydrophobicContact CE1-CD1 4.11Å; F90-L94 HydrophobicContact CZ-CD1 4.09Å; F90-L94 WeakPolarHBondContact O-CB 3.19Å; F90-L94 PolarHBondContact O-N 3.47Å; K91-L94 PolarHBondContact O-N 2.85Å; L94-M97 PolarHBondContact O-N 3.02Å; L94-K98 WeakPolarHBondContact O-CB 3.4Å; L94-K98 PolarHBondContact O-N 2.88Å; L94-Y198 HydrophobicContact CD1-CE1 4.31Å; L94-Y198 VanDerWaalsContact CD1-OH 3.28Å; L94-Y198 WeakPolarHBondContact CD1-OH 3.19Å; L94-Y198 HydrophobicContact CD2-CE1 4.06Å; L94-F206 HydrophobicContact CD1-CD1 4.07Å; L94-F206 HydrophobicContact CD1-CD2 4.06Å; L94-F206 HydrophobicContact CD1-CE1 3.66Å; L94-F206 HydrophobicContact CD1-CE2 3.64Å; L94-F206 HydrophobicContact CD1-CG 4.28Å; L94-F206 HydrophobicContact CD1-CZ 3.44Å; L94-F206 VanDerWaalsContact CD1-CZ 3.44Å; L94-F206 HydrophobicContact CG-CE1 4.04Å; L94-F206 HydrophobicContact CG-CE2 4.44Å; L94-F206 HydrophobicContact CG-CZ 3.83Å
95D60.8Low64.2Low60 Ų6073.3 Ų73.332%0.32137%0.37SS..Hα-helixtrans-67.4-35.6174.1-69.7-21.7000111K91 N93 K98 R99K91-D95 VanDerWaalsContact O-CB 3.31Å; K91-D95 WeakPolarHBondContact O-CB 3.5Å; K91-D95 PolarHBondContact O-N 3.39Å; N93-D95 PolarHBondContact O-N 2.93Å; D95-K98 PolarHBondContact O-N 3.47Å; D95-R99 WeakPolarHBondContact O-CG 3.25Å; D95-R99 PolarHBondContact O-N 2.85Å
96E65.4Low63.5Low66 Ų6677.4 Ų77.431%0.30839%0.388SS..Hα-helixtrans-68.6-44.5172.9173.161.4-170.100112.2G92 N93 K98 R99 R100G92-E96 VanDerWaalsContact O-CB 3.23Å; G92-E96 WeakPolarHBondContact O-CB 3.25Å; G92-E96 PolarHBondContact O-N 3.24Å; N93-E96 CarbonylContact O-C 3.46Å; N93-E96 WeakPolarHBondContact O-CB 3.5Å; N93-E96 PolarHBondContact O-N 3.3Å; E96-K98 VanDerWaalsContact C-N 3.28Å; E96-K98 PolarHBondContact O-N 2.84Å; E96-R99 PolarHBondContact O-N 2.9Å; E96-R99 IonicContact OE2-NH1 2.8Å; E96-R99 PolarHBondContact OE2-NH1 2.79Å; E96-R100 WeakPolarHBondContact O-CG 3.32Å; E96-R100 PolarHBondContact O-N 3.47Å; E96-R100 IonicContact OE1-CZ 3.34Å; E96-R100 VanDerWaalsContact OE1-CZ 3.24Å; E96-R100 IonicContact OE1-NE 4Å; E96-R100 PolarHBondContact OE1-NE 3.22Å; E96-R100 IonicContact OE1-NH2 2.83Å; E96-R100 PolarHBondContact OE1-NH2 2.96Å
97M62.2Low62.5Low23 Ų2380.5 Ų80.511%0.11340%0.404CS..Hα-helixtrans-62.6-36.9172.7-66.6-55.6108.600111.4N93 L94 R100 R101 Y205 F206N93-M97 WeakPolarHBondContact O-CG 3.41Å; N93-M97 PolarHBondContact O-N 3.22Å; L94-M97 PolarHBondContact O-N 3.02Å; M97-R100 PolarHBondContact O-N 3.31Å; M97-R101 PolarHBondContact O-N 3.4Å; M97-Y205 HydrophobicContact CB-CE1 4.12Å; M97-Y205 HydrophobicContact CG-CE1 3.92Å; M97-Y205 HydrophobicContact SD-CE1 3.72Å; M97-Y205 PolarHBondContact SD-OH 3.46Å; M97-F206 HydrophobicContact CB-CE1 4.49Å
98K63.5Low61.9Low98 Ų9886.2 Ų86.243%0.42641%0.41SS..Hα-helixtrans-62.2-49172.6-165.8-157.1177.6-590111L94 D95 E96 R100 R101 D102L94-K98 WeakPolarHBondContact O-CB 3.4Å; L94-K98 PolarHBondContact O-N 2.88Å; D95-K98 PolarHBondContact O-N 3.47Å; E96-K98 VanDerWaalsContact C-N 3.28Å; E96-K98 PolarHBondContact O-N 2.84Å; K98-R100 VanDerWaalsContact C-N 3.29Å; K98-R100 PolarHBondContact O-N 3.29Å; K98-R101 WeakPolarHBondContact O-CB 3.49Å; K98-R101 PolarHBondContact O-N 2.91Å; K98-R101 VanDerWaalsContact O-N 3.11Å; K98-D102 IonicContact NZ-OD1 3.38Å; K98-D102 PolarHBondContact NZ-OD1 3.25Å; K98-D102 IonicContact NZ-OD2 2.77Å; K98-D102 PolarHBondContact NZ-OD2 2.98Å; K98-D102 PolarHBondContact O-N 2.79Å
99R66.6Low61.1Low148 Ų14892.5 Ų92.556%0.55843%0.426SS*.Hα-helixtrans-57.5-41.5176.5-74.6-169.9-153.887.211.9112.6D95 E96 D102 F103D95-R99 WeakPolarHBondContact O-CG 3.25Å; D95-R99 PolarHBondContact O-N 2.85Å; E96-R99 PolarHBondContact O-N 2.9Å; E96-R99 IonicContact OE2-NH1 2.8Å; E96-R99 PolarHBondContact OE2-NH1 2.79Å; R99-D102 PolarHBondContact O-N 3.34Å; R99-F103 VanDerWaalsContact O-CB 3.32Å; R99-F103 WeakPolarHBondContact O-CB 3.11Å; R99-F103 PolarHBondContact O-N 3.34Å
100R62.3Low60.2Low123 Ų12397 Ų9746%0.46445%0.449SS..Hα-helixtrans-62.2-43.5176.1-69.2174.4-169.2-159.20.4111.3E96 M97 K98 F103 Y104E96-R100 WeakPolarHBondContact O-CG 3.32Å; E96-R100 PolarHBondContact O-N 3.47Å; E96-R100 IonicContact OE1-CZ 3.34Å; E96-R100 VanDerWaalsContact OE1-CZ 3.24Å; E96-R100 IonicContact OE1-NE 4Å; E96-R100 PolarHBondContact OE1-NE 3.22Å; E96-R100 IonicContact OE1-NH2 2.83Å; E96-R100 PolarHBondContact OE1-NH2 2.96Å; M97-R100 PolarHBondContact O-N 3.31Å; K98-R100 VanDerWaalsContact C-N 3.29Å; K98-R100 PolarHBondContact O-N 3.29Å; R100-F103 PolarHBondContact O-N 3.11Å; R100-Y104 HydrophobicContact CB-CE2 4.46Å; R100-Y104 WeakPolarHBondContact O-CD2 3.17Å; R100-Y104 PolarHBondContact O-N 2.9Å
101R63Low59.3Low64 Ų64102.8 Ų102.824%0.24248%0.477CS..Hα-helixtrans-63.3-47.1174.7-167.3-167.1-55.2150.72.2111.9M97 K98 F103 Y104 A105 D202M97-R101 PolarHBondContact O-N 3.4Å; K98-R101 WeakPolarHBondContact O-CB 3.49Å; K98-R101 PolarHBondContact O-N 2.91Å; K98-R101 VanDerWaalsContact O-N 3.11Å; R101-F103 VanDerWaalsContact C-N 3.26Å; R101-F103 PolarHBondContact O-N 2.82Å; R101-Y104 PolarHBondContact O-N 2.85Å; R101-A105 VanDerWaalsContact O-CB 3.28Å; R101-A105 WeakPolarHBondContact O-CB 3.31Å; R101-A105 PolarHBondContact O-N 3.35Å; R101-D202 VanDerWaalsContact CZ-CG 3.42Å; R101-D202 IonicContact CZ-OD1 3.01Å; R101-D202 IonicContact CZ-OD2 3.24Å; R101-D202 IonicContact NH1-OD1 2.66Å; R101-D202 PolarHBondContact NH1-OD1 3.31Å; R101-D202 IonicContact NH1-OD2 3.39Å; R101-D202 PolarHBondContact NH1-OD2 3.37Å; R101-D202 IonicContact NH2-OD1 2.69Å; R101-D202 PolarHBondContact NH2-OD1 2.99Å; R101-D202 IonicContact NH2-OD2 3.22Å; R101-D202 PolarHBondContact NH2-OD2 2.87Å; R101-D202 VanDerWaalsContact NH2-OD2 3.1Å
102D67.5Low58.5Low67 Ų67102 Ų10236%0.35849%0.485SS..Hα-helixtrans-55.9-45.1177.7-61-24.3000110K98 R99 A105 E106K98-D102 IonicContact NZ-OD1 3.38Å; K98-D102 PolarHBondContact NZ-OD1 3.25Å; K98-D102 IonicContact NZ-OD2 2.77Å; K98-D102 PolarHBondContact NZ-OD2 2.98Å; K98-D102 PolarHBondContact O-N 2.79Å; R99-D102 PolarHBondContact O-N 3.34Å; D102-A105 PolarHBondContact O-N 3Å; D102-E106 WeakPolarHBondContact O-CB 3.5Å; D102-E106 PolarHBondContact O-N 3.43Å
103F65.4Low57.5Low109 Ų109103.2 Ų103.248%0.47850%0.497SS..Hα-helixtrans-61.8-48.8175.5178.9-96.5000113.2R99 R100 R101 A105 E106 N107R99-F103 VanDerWaalsContact O-CB 3.32Å; R99-F103 WeakPolarHBondContact O-CB 3.11Å; R99-F103 PolarHBondContact O-N 3.34Å; R100-F103 PolarHBondContact O-N 3.11Å; R101-F103 VanDerWaalsContact C-N 3.26Å; R101-F103 PolarHBondContact O-N 2.82Å; F103-A105 VanDerWaalsContact C-N 3.32Å; F103-A105 PolarHBondContact O-N 3.48Å; F103-E106 PolarHBondContact O-N 2.64Å; F103-N107 WeakPolarHBondContact O-CB 3.39Å; F103-N107 PolarHBondContact O-N 2.95Å
104Y55.8Low56.6Low161 Ų161110.6 Ų110.663%0.63153%0.531SS*.Hα-helixtrans-69.1-27.5177.8-72.3-61.8000113.4R100 R101R100-Y104 HydrophobicContact CB-CE2 4.46Å; R100-Y104 WeakPolarHBondContact O-CD2 3.17Å; R100-Y104 PolarHBondContact O-N 2.9Å; R101-Y104 PolarHBondContact O-N 2.85Å
105A62Low55.6Low55 Ų55116.2 Ų116.246%0.45557%0.565SS.*Hα-helixtrans-72.4-32.5174.200000112.2R101 D102 F103 R108R101-A105 VanDerWaalsContact O-CB 3.28Å; R101-A105 WeakPolarHBondContact O-CB 3.31Å; R101-A105 PolarHBondContact O-N 3.35Å; D102-A105 PolarHBondContact O-N 3Å; F103-A105 VanDerWaalsContact C-N 3.32Å; F103-A105 PolarHBondContact O-N 3.48Å; A105-R108 WeakPolarHBondContact O-CG 3.11Å
106E63.6Low54.8Low166 Ų166116.7 Ų116.778%0.77657%0.57SS**Hα-helixtrans-80.5-38.3175.9-163.5162.7-158.400111.7D102 F103 R108D102-E106 WeakPolarHBondContact O-CB 3.5Å; D102-E106 PolarHBondContact O-N 3.43Å; F103-E106 PolarHBondContact O-N 2.64Å; E106-R108 PolarHBondContact O-N 2.68Å
107N56.8Low53.8Low75 Ų75122.5 Ų122.540%0.40160%0.597SS.*  trans-93.764177.5-81.875.2000113.4F103 E109F103-N107 WeakPolarHBondContact O-CB 3.39Å; F103-N107 PolarHBondContact O-N 2.95Å; N107-E109 PolarHBondContact O-N 2.79Å
108R54.9Low53.1Low235 Ų235123.3 Ų123.389%0.88760%0.604SS**  trans-66.810.1179.8-63.5-17780.3176.99.5116.4A105 E106A105-R108 WeakPolarHBondContact O-CG 3.11Å; E106-R108 PolarHBondContact O-N 2.68Å
109E44.3Very low52.6Low184 Ų184121.3 Ų121.386%0.8660%0.595SS**  trans-132.245.5-167.6-157.7179.1-168.700113.1N107N107-E109 PolarHBondContact O-N 2.79Å
110L43.9Very low52.4Low130 Ų130119.6 Ų119.668%0.68160%0.597SS**  trans-127.2114.1167.2-70.5175.4000110.2
111E42.9Very low52.8Low180 Ų180114.4 Ų114.484%0.84158%0.578SS**  trans-54.1138.2177.1-75.5-70.6113.200111.8G113E111-G113 PolarHBondContact O-N 3.47Å
112P43.7Very low53.4Low109 Ų109114.1 Ų114.171%0.70859%0.59SS**  trans-65.990.3-176.1-24.335.9000114.9E114P112-E114 PolarHBondContact O-N 2.86Å
113G39.1Very low53.4Low66 Ų66116.7 Ų116.768%0.6860%0.6SS**  trans-7287.4165.900000112.7E111 V115E111-G113 PolarHBondContact O-N 3.47Å; G113-V115 PolarHBondContact O-N 3.17Å
114E43.8Very low53.9Low191 Ų191118.6 Ų118.689%0.89362%0.615SS**SBendtrans45.941.1150.4-148.4-178-174.900118.9P112P112-E114 PolarHBondContact O-N 2.86Å
115V41Very low55.3Low131 Ų131113.6 Ų113.679%0.79460%0.597SS**  trans-141.5121.5161.5-138.40000113.9G113G113-V115 PolarHBondContact O-N 3.17Å
116V42.5Very low56.6Low69 Ų69115.4 Ų115.442%0.41860%0.598SS.*  trans72.479.2165.8-153.80000118.6T118 F119V116-T118 PolarHBondContact O-N 2.8Å; V116-F119 HydrophobicContact CB-CD2 4.1Å; V116-F119 HydrophobicContact CG1-CD2 3.35Å; V116-F119 HydrophobicContact CG1-CE2 3.67Å; V116-F119 HydrophobicContact CG1-CG 4.27Å; V116-F119 PolarHBondContact O-N 2.88Å
117E45.2Very low58Low189 Ų189107.6 Ų107.688%0.88356%0.562SS**THydrogen-bonded Turntrans-55.8-6.9164.9-62.6-177.5127.500115.4
118T47.8Very low59.7Low40 Ų40106.2 Ų106.225%0.24556%0.558CS.*THydrogen-bonded Turntrans-81.4-23.8-179.1-52.30000113.6V116V116-T118 PolarHBondContact O-N 2.8Å
119F52.8Low61.6Low56 Ų5695 Ų9525%0.24652%0.516CS..SBendtrans-111.31-168.1-63-55.6000116.3V116 I121 Y205V116-F119 HydrophobicContact CB-CD2 4.1Å; V116-F119 HydrophobicContact CG1-CD2 3.35Å; V116-F119 HydrophobicContact CG1-CE2 3.67Å; V116-F119 HydrophobicContact CG1-CG 4.27Å; V116-F119 PolarHBondContact O-N 2.88Å; F119-I121 VanDerWaalsContact C-N 3.26Å; F119-I121 PolarHBondContact O-N 3.18Å; F119-Y205 HydrophobicContact CB-CD2 4.26Å; F119-Y205 HydrophobicContact CB-CE2 4.14Å; F119-Y205 AromaticContact CD1-CD2 3.41Å; F119-Y205 HydrophobicContact CD1-CD2 3.41Å; F119-Y205 VanDerWaalsContact CD1-CD2 3.41Å; F119-Y205 AromaticContact CD1-CE2 3.66Å; F119-Y205 HydrophobicContact CD1-CE2 3.66Å; F119-Y205 HydrophobicContact CD1-CG 4.38Å; F119-Y205 HydrophobicContact CD2-CE2 4.06Å; F119-Y205 AromaticContact CE1-CD2 3.83Å; F119-Y205 HydrophobicContact CE1-CD2 3.83Å; F119-Y205 HydrophobicContact CE1-CE2 4.01Å; F119-Y205 HydrophobicContact CE1-CG 4.49Å; F119-Y205 HydrophobicContact CE2-CE2 4.38Å; F119-Y205 AromaticContact CG-CD2 3.87Å; F119-Y205 HydrophobicContact CG-CD2 3.87Å; F119-Y205 AromaticContact CG-CE2 3.69Å; F119-Y205 HydrophobicContact CG-CE2 3.69Å; F119-Y205 HydrophobicContact CZ-CE2 4.36Å
120N62.5Low64Low111 Ų11186.3 Ų86.359%0.59448%0.475SS*.  trans-73.783.4171-67-8.7000109.3R211N120-R211 PolarHBondContact O-NH2 2.82Å
121I70.4Confident66.5Low14 Ų1480.4 Ų80.47%0.07244%0.444CS..  trans-107.8121165.7-59.5175.7000106.2F119 E125 I127 A162 M201 A204F119-I121 VanDerWaalsContact C-N 3.26Å; F119-I121 PolarHBondContact O-N 3.18Å; I121-E125 WeakPolarHBondContact CA-OE2 3.35Å; I121-E125 HydrophobicContact CG2-CB 4.29Å; I121-I127 HydrophobicContact CD1-CD1 4.47Å; I121-I127 HydrophobicContact CG2-CD1 3.95Å; I121-I127 HydrophobicContact CG2-CG1 4.46Å; I121-A162 HydrophobicContact CG2-CB 3.63Å; I121-M201 HydrophobicContact CB-CE 4.33Å; I121-M201 HydrophobicContact CB-CG 4.08Å; I121-M201 HydrophobicContact CG2-CB 4.47Å; I121-M201 HydrophobicContact CG2-CG 4.07Å; I121-M201 WeakPolarHBondContact O-CE 3.36Å; I121-A204 HydrophobicContact CD1-CB 3.45Å; I121-A204 VanDerWaalsContact CD1-CB 3.45Å
122A74.8Confident68.9Low59 Ų5975.3 Ų75.349%0.48842%0.42SS..  trans-77.8149.117400000110.4D124 E125 A162A122-D124 PolarHBondContact O-N 3.44Å; A122-E125 HydrophobicContact CB-CB 4.23Å; A122-E125 PolarHBondContact N-OE2 3.37Å; A122-E125 WeakPolarHBondContact O-CB 3.43Å; A122-E125 PolarHBondContact O-N 3.3Å; A122-A162 VanDerWaalsContact O-CB 3.27Å; A122-A162 WeakPolarHBondContact O-CB 3.27Å
123E68.1Low71.2Confident121 Ų12174.5 Ų74.557%0.56541%0.406SS*.THydrogen-bonded Turntrans-59.6-33.7-179.4-64.1-171.4160.500112.9A162 A163E123-A162 PolarHBondContact O-N 3.43Å; E123-A163 HydrophobicContact CB-CB 4.4Å; E123-A163 PolarHBondContact O-N 2.79Å; E123-A163 VanDerWaalsContact O-N 3.1Å
124D75.6Confident73.5Confident148 Ų14873.1 Ų73.179%0.79138%0.381SS*.THydrogen-bonded Turntrans-84.3-2.9175.7-61.8-47.9000113.9A122 I126A122-D124 PolarHBondContact O-N 3.44Å; D124-I126 PolarHBondContact O-N 2.56Å
125E86.4Confident75.1Confident57 Ų5769.1 Ų69.127%0.26636%0.362SS..  trans-67133.9-179.6-170.9178.5151.100111I121 A122 I127 P161 A162 R211I121-E125 WeakPolarHBondContact CA-OE2 3.35Å; I121-E125 HydrophobicContact CG2-CB 4.29Å; A122-E125 HydrophobicContact CB-CB 4.23Å; A122-E125 PolarHBondContact N-OE2 3.37Å; A122-E125 WeakPolarHBondContact O-CB 3.43Å; A122-E125 PolarHBondContact O-N 3.3Å; E125-I127 PolarHBondContact O-N 3.1Å; E125-P161 CarbonylContact O-C 3.6Å; E125-P161 WeakPolarHBondContact O-CA 3.24Å; E125-A162 PolarHBondContact O-N 3.27Å; E125-R211 IonicContact OE1-CZ 3.88Å; E125-R211 IonicContact OE1-NE 3.07Å; E125-R211 PolarHBondContact OE1-NE 3.29Å; E125-R211 IonicContact OE1-NH2 2.64Å; E125-R211 PolarHBondContact OE1-NH2 3.49Å; E125-R211 IonicContact OE2-CZ 3.9Å; E125-R211 IonicContact OE2-NH2 3.37Å; E125-R211 PolarHBondContact OE2-NH2 3.29Å
126I89.3Confident76.1Confident93 Ų9370.7 Ų70.748%0.47735%0.354SS..EExtended strand (participates in β ladder)trans-82.1106.2176.4-59.1-55.3000110D124 Q159 P161D124-I126 PolarHBondContact O-N 2.56Å; I126-Q159 HydrophobicContact CG2-CB 3.64Å; I126-Q159 HydrophobicContact CG2-CG 4.03Å; I126-P161 HydrophobicContact CD1-CB 4.39Å; I126-P161 HydrophobicContact CD1-CG 3.92Å
127I91.2Very high76.3Confident1 Ų172.8 Ų72.81%0.00536%0.362CS..EExtended strand (participates in β ladder)trans-86.5135.8175.2-60-176.8000109.8I121 E125 Q159 C160 A162 L200 W209 I215I121-I127 HydrophobicContact CD1-CD1 4.47Å; I121-I127 HydrophobicContact CG2-CD1 3.95Å; I121-I127 HydrophobicContact CG2-CG1 4.46Å; E125-I127 PolarHBondContact O-N 3.1Å; I127-Q159 WeakPolarHBondContact O-CA 3.44Å; I127-C160 PolarHBondContact N-O 3.43Å; I127-C160 PolarHBondContact O-N 3.22Å; I127-A162 HydrophobicContact CD1-CB 3.6Å; I127-A162 HydrophobicContact CG1-CB 3.99Å; I127-L200 HydrophobicContact CD1-CB 4.06Å; I127-W209 HydrophobicContact CG2-CH2 3.79Å; I127-W209 HydrophobicContact CG2-CZ2 4.42Å; I127-W209 HydrophobicContact CG2-CZ3 3.97Å; I127-I215 HydrophobicContact CG2-CD1 3.59Å; I127-I215 HydrophobicContact CG2-CG1 4.03Å
128S93.6Very high76.6Confident46 Ų4673.1 Ų73.132%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-87.2128.9169.2-170.70000110.3P214 I215S128-P214 CarbonylContact O-C 3.54Å; S128-P214 WeakPolarHBondContact O-CA 3.35Å; S128-I215 PolarHBondContact O-N 2.91Å
129L94.8Very high76.5Confident0 Ų076 Ų760%038%0.377CS..EExtended strand (participates in β ladder)trans-131.3161175.774.583.5000111.4I131 F157 L158 C160 L169 L200 I215 L217L129-I131 HydrophobicContact CD1-CB 4.13Å; L129-F157 CarbonylContact O-C 3.56Å; L129-F157 WeakPolarHBondContact O-CA 3.39Å; L129-L158 HydrophobicContact CD1-CB 3.89Å; L129-L158 HydrophobicContact CD1-CD1 4.04Å; L129-L158 HydrophobicContact CD1-CG 4.35Å; L129-L158 HydrophobicContact CG-CB 4Å; L129-L158 PolarHBondContact N-O 2.84Å; L129-L158 PolarHBondContact O-N 3.33Å; L129-C160 HydrophobicContact CD2-CB 4.35Å; L129-L169 HydrophobicContact CD2-CD1 4.45Å; L129-L169 HydrophobicContact CD2-CD2 4.18Å; L129-L200 HydrophobicContact CD2-CD1 3.67Å; L129-L200 HydrophobicContact CD2-CD2 3.59Å; L129-L200 HydrophobicContact CD2-CG 4.3Å; L129-I215 WeakPolarHBondContact CA-O 3.17Å; L129-I215 HydrophobicContact CB-CB 4Å; L129-L217 HydrophobicContact CD1-CD1 4.39Å; L129-L217 HydrophobicContact CD2-CD1 4.25Å
130S95.1Very high76.3Confident2 Ų277.7 Ų77.71%0.01440%0.396CS..EExtended strand (participates in β ladder)trans-125.1141.3171.566.70000109.8K155 R156 I215 L217S130-K155 WeakPolarHBondContact OG-CE 3.34Å; S130-R156 CarbonylContact C-O 3.57Å; S130-R156 WeakPolarHBondContact CA-O 3.37Å; S130-I215 PolarHBondContact N-O 3.29Å; S130-I215 PolarHBondContact OG-O 2.99Å; S130-L217 WeakPolarHBondContact O-CA 3.26Å; S130-L217 WeakPolarHBondContact O-CB 3.42Å; S130-L217 PolarHBondContact O-N 2.84Å
131I94.9Very high75.4Confident5 Ų581.5 Ų81.53%0.02641%0.411CS..EExtended strand (participates in β ladder)trans-134.5129.8-175.7-159.4155.5000111L129 R156 L158 L173 L217 Y219L129-I131 HydrophobicContact CD1-CB 4.13Å; I131-R156 HydrophobicContact CG2-CB 4.2Å; I131-R156 PolarHBondContact N-O 3.32Å; I131-R156 PolarHBondContact O-N 3.21Å; I131-L158 HydrophobicContact CG2-CD1 4.04Å; I131-L173 HydrophobicContact CD1-CD1 3.71Å; I131-L173 HydrophobicContact CD1-CD2 4.28Å; I131-L173 HydrophobicContact CD1-CG 4.23Å; I131-L173 HydrophobicContact CG1-CD1 4.46Å; I131-L217 WeakPolarHBondContact CA-O 3.46Å; I131-L217 HydrophobicContact CD1-CB 4.36Å; I131-L217 HydrophobicContact CG1-CB 4.23Å; I131-Y219 HydrophobicContact CG1-CD1 4.14Å
132Q93.8Very high74.6Confident73 Ų7393.1 Ų93.134%0.34145%0.453SS..EExtended strand (participates in β ladder)trans-137.8149.4-174.5-177.2167.713.400111.1K155 L217 Q218 Y219Q132-K155 HydrophobicContact CB-CB 4.3Å; Q132-K155 HydrophobicContact CB-CG 4.34Å; Q132-K155 HydrophobicContact CG-CB 4.4Å; Q132-L217 PolarHBondContact N-O 2.94Å; Q132-Q218 CarbonylContact O-C 3.39Å; Q132-Q218 WeakPolarHBondContact O-CA 3.23Å; Q132-Y219 VanDerWaalsContact O-CD1 3.25Å; Q132-Y219 WeakPolarHBondContact O-CD1 3.29Å; Q132-Y219 PolarHBondContact O-N 2.75Å
133F91.8Very high73Confident92 Ų9299.1 Ų99.140%0.40447%0.471SS..EExtended strand (participates in β ladder)trans-69136.7174.2-177.1-103.5000111.2E135 Y219 V221F133-E135 HydrophobicContact CD1-CG 4.27Å; F133-E135 PolarHBondContact O-N 2.82Å; F133-Y219 HydrophobicContact CB-CE1 3.89Å; F133-Y219 HydrophobicContact CD2-CD2 4.22Å; F133-Y219 HydrophobicContact CD2-CE1 4.4Å; F133-Y219 AromaticContact CD2-CE2 3.7Å; F133-Y219 HydrophobicContact CD2-CE2 3.7Å; F133-Y219 AromaticContact CD2-CZ 3.79Å; F133-Y219 HydrophobicContact CE2-CE2 4.46Å; F133-V221 HydrophobicContact CE2-CG2 4.27Å
134Y87.4Confident72Confident38 Ų38104.4 Ų104.415%0.14949%0.486CS..  trans-78.798.8178.8-172.1-84000111.1R136 D191 Q218 Y219 L220Y134-R136 HydrophobicContact CD1-CB 4.05Å; Y134-R136 HydrophobicContact CE1-CB 3.8Å; Y134-R136 HydrophobicContact CE1-CG 4.22Å; Y134-R136 PolarHBondContact O-N 3.23Å; Y134-D191 VanDerWaalsContact CE2-OD1 3.3Å; Y134-D191 WeakPolarHBondContact CE2-OD1 3.48Å; Y134-D191 PolarHBondContact OH-OD1 2.97Å; Y134-Q218 HydrophobicContact CD2-CB 4.38Å; Y134-Q218 VanDerWaalsContact CD2-OE1 3.27Å; Y134-Y219 WeakPolarHBondContact CB-O 3.48Å; Y134-Y219 PolarHBondContact N-O 2.78Å; Y134-L220 HydrophobicContact CD1-CD2 4.47Å
135E79.1Confident70.1Confident107 Ų107103.1 Ų103.150%0.548%0.484SS..  trans-78.699.4171.1-70.8-174.8174.300110.6F133 N137 R138F133-E135 HydrophobicContact CD1-CG 4.27Å; F133-E135 PolarHBondContact O-N 2.82Å; E135-N137 PolarHBondContact O-N 3.36Å; E135-R138 IonicContact OE1-CZ 2.84Å; E135-R138 IonicContact OE1-NE 3.24Å; E135-R138 IonicContact OE1-NH2 3.29Å; E135-R138 PolarHBondContact OE1-NH2 2.93Å; E135-R138 IonicContact OE2-CZ 2.8Å; E135-R138 IonicContact OE2-NE 2.88Å; E135-R138 PolarHBondContact OE2-NE 2.77Å; E135-R138 IonicContact OE2-NH2 3.1Å; E135-R138 PolarHBondContact OE2-NH2 3.11Å
136R60.7Low68.3Low164 Ų164109.8 Ų109.862%0.61952%0.515SS*.SBendtrans-67.4-4.1-177.5-177.3156.5-75.4-158-10.7115.1Y134Y134-R136 HydrophobicContact CD1-CB 4.05Å; Y134-R136 HydrophobicContact CE1-CB 3.8Å; Y134-R136 HydrophobicContact CE1-CG 4.22Å; Y134-R136 PolarHBondContact O-N 3.23Å
137N46.6Very low65.9Low113 Ų113112.9 Ų112.960%0.60453%0.529SS*.  trans-157.4106.1-179.1-139.32.3000113E135 S139E135-N137 PolarHBondContact O-N 3.36Å; N137-S139 PolarHBondContact OD1-OG 2.82Å
138R52.4Low63.8Low195 Ų195122.1 Ų122.174%0.73657%0.572SS**  trans-125.725.8157.7-78-152.9-168.5-142.1-0.5112.4E135E135-R138 IonicContact OE1-CZ 2.84Å; E135-R138 IonicContact OE1-NE 3.24Å; E135-R138 IonicContact OE1-NH2 3.29Å; E135-R138 PolarHBondContact OE1-NH2 2.93Å; E135-R138 IonicContact OE2-CZ 2.8Å; E135-R138 IonicContact OE2-NE 2.88Å; E135-R138 PolarHBondContact OE2-NE 2.77Å; E135-R138 IonicContact OE2-NH2 3.1Å; E135-R138 PolarHBondContact OE2-NH2 3.11Å
139S46.1Very low61.1Low101 Ų101122.3 Ų122.371%0.70658%0.582SS**  trans-107.650.7175.449.10000111.3N137N137-S139 PolarHBondContact OD1-OG 2.82Å
140S48.3Very low58.6Low92 Ų92127 Ų12764%0.64361%0.607SS**SBendtrans-152.7136.1165.3-67.60000107.4
141E42.4Very low56.3Low191 Ų191136.1 Ų136.189%0.89365%0.646SS**  trans67.386.5179.6-53-163.814500117.2Q143E141-Q143 PolarHBondContact O-N 3.29Å
142R54.3Low54.3Low258 Ų258139.4 Ų139.497%0.97467%0.669SS**  trans-70.392.3148.1-74.6177169.8175.1-4.4109.1
143Q42.3Very low52.5Low185 Ų185141.8 Ų141.886%0.86469%0.685SS**  trans-146139.9153.8-124.1172.315.900114E141E141-Q143 PolarHBondContact O-N 3.29Å
144R45.3Very low51.6Low232 Ų232139.6 Ų139.688%0.87569%0.688SS**  trans-39136.6-177-63.5164.1161.5-159.3-9.6115.5
145T36.1Very low51.6Low121 Ų121141.9 Ų141.974%0.74270%0.699SS**  -142.8127.9106.2-60.50000108.6M147T145-M147 HydrophobicContact CG2-CB 4.28Å; T145-M147 PolarHBondContact O-N 3.07Å
146E48.6Very low52.2Low197 Ų197143.4 Ų143.492%0.92170%0.7SS**  trans-77.7105.3164.5-72.517116600107.6
147M39.2Very low53.8Low157 Ų157141.6 Ų141.677%0.77370%0.696SS**  trans-142.6112.4167.9-162.4167.6-176.800107.4T145 G149T145-M147 HydrophobicContact CG2-CB 4.28Å; T145-M147 PolarHBondContact O-N 3.07Å; M147-G149 PolarHBondContact O-N 3.46Å
148E47.5Very low56.1Low196 Ų196138.2 Ų138.292%0.91668%0.678SS**  trans-51.7122.1165.7-99.3-66.3160.700108.6
149G37Very low58.2Low50 Ų50136.2 Ų136.252%0.51568%0.677SS.*  trans169.167.6-157.600000113.6M147 K151M147-G149 PolarHBondContact O-N 3.46Å; G149-K151 PolarHBondContact O-N 2.88Å
150D42.5Very low60.5Low99 Ų99131.9 Ų131.953%0.52965%0.647SS.*  trans17.881.4159-173.121.1000118S152 N153D150-S152 PolarHBondContact O-N 2.96Å; D150-S152 WeakPolarHBondContact OD1-CB 3.45Å; D150-S152 PolarHBondContact OD1-N 3.23Å; D150-S152 PolarHBondContact OD1-OG 3.4Å; D150-S152 PolarHBondContact OD2-OG 3.09Å; D150-N153 PolarHBondContact O-ND2 2.87Å; D150-N153 PolarHBondContact OD2-ND2 2.76Å
151K46.6Very low62.6Low192 Ų192130.1 Ų130.184%0.83563%0.633SS**THydrogen-bonded Turntrans-80.418.2171.7-68.8175.6-178164.10113.5G149G149-K151 PolarHBondContact O-N 2.88Å
152S52.4Low64.8Low74 Ų74121 Ų12152%0.51759%0.59SS.*THydrogen-bonded Turntrans-81.9-20.1179.377.50000114.4D150 G154 K155D150-S152 PolarHBondContact O-N 2.96Å; D150-S152 WeakPolarHBondContact OD1-CB 3.45Å; D150-S152 PolarHBondContact OD1-N 3.23Å; D150-S152 PolarHBondContact OD1-OG 3.4Å; D150-S152 PolarHBondContact OD2-OG 3.09Å; S152-G154 PolarHBondContact O-N 3.31Å; S152-K155 PolarHBondContact O-N 3.26Å
153N55.1Low66.4Low124 Ų124111.2 Ų111.266%0.66357%0.565SS**THydrogen-bonded Turntrans-63.6-0.7-162.8-81.2-66.9000118.3D150D150-N153 PolarHBondContact O-ND2 2.87Å; D150-N153 PolarHBondContact OD2-ND2 2.76Å
154G73.6Confident68.8Low45 Ų45104.8 Ų104.846%0.46454%0.535SS..THydrogen-bonded Turntrans-92.4-18177.600000115.5S152S152-G154 PolarHBondContact O-N 3.31Å
155K87.4Confident71.1Confident87 Ų8794.3 Ų94.338%0.37850%0.497SS..EExtended strand (participates in β ladder)trans-109.7124.2-170-173.9169.8-179173.60110.8S130 Q132 S152 F157S130-K155 WeakPolarHBondContact OG-CE 3.34Å; Q132-K155 HydrophobicContact CB-CB 4.3Å; Q132-K155 HydrophobicContact CB-CG 4.34Å; Q132-K155 HydrophobicContact CG-CB 4.4Å; S152-K155 PolarHBondContact O-N 3.26Å; K155-F157 HydrophobicContact CD-CZ 4.23Å; K155-F157 HydrophobicContact CG-CE2 4.45Å; K155-F157 HydrophobicContact CG-CZ 4.3Å
156R92.1Very high73.9Confident138 Ų13888.6 Ų88.652%0.52146%0.463SS..EExtended strand (participates in β ladder)trans-108.2149.1177.6-57.8-171.2-176.1-72.7-2.4110S130 I131S130-R156 CarbonylContact C-O 3.57Å; S130-R156 WeakPolarHBondContact CA-O 3.37Å; I131-R156 HydrophobicContact CG2-CB 4.2Å; I131-R156 PolarHBondContact N-O 3.32Å; I131-R156 PolarHBondContact O-N 3.21Å
157F94.6Very high76.2Confident126 Ų12682.9 Ų82.955%0.55344%0.437SS*.EExtended strand (participates in β ladder)trans-110.8143.3174.1-60.4-90.7000109.4L129 K155 P214L129-F157 CarbonylContact O-C 3.56Å; L129-F157 WeakPolarHBondContact O-CA 3.39Å; K155-F157 HydrophobicContact CD-CZ 4.23Å; K155-F157 HydrophobicContact CG-CE2 4.45Å; K155-F157 HydrophobicContact CG-CZ 4.3Å; F157-P214 HydrophobicContact CD1-CB 4.31Å; F157-P214 HydrophobicContact CD1-CG 3.86Å; F157-P214 HydrophobicContact CE1-CG 3.72Å
158L94.7Very high78.9Confident43 Ų4379.8 Ų79.823%0.22542%0.42CS..EExtended strand (participates in β ladder)trans-138.5143.7-177.9-65.6170.8000109.2L129 I131 F172L129-L158 HydrophobicContact CD1-CB 3.89Å; L129-L158 HydrophobicContact CD1-CD1 4.04Å; L129-L158 HydrophobicContact CD1-CG 4.35Å; L129-L158 HydrophobicContact CG-CB 4Å; L129-L158 PolarHBondContact N-O 2.84Å; L129-L158 PolarHBondContact O-N 3.33Å; I131-L158 HydrophobicContact CG2-CD1 4.04Å; L158-F172 HydrophobicContact CD1-CD1 4.35Å; L158-F172 HydrophobicContact CD1-CE1 3.79Å; L158-F172 HydrophobicContact CD1-CZ 4.32Å; L158-F172 HydrophobicContact CD2-CE1 4.4Å; L158-F172 HydrophobicContact CD2-CZ 4.13Å
159Q95.2Very high81.2Confident153 Ų15370.5 Ų70.572%0.71538%0.377SS*.EExtended strand (participates in β ladder)trans-105.7128.7165.7-81.1-178.8-45.700108I126 I127I126-Q159 HydrophobicContact CG2-CB 3.64Å; I126-Q159 HydrophobicContact CG2-CG 4.03Å; I127-Q159 WeakPolarHBondContact O-CA 3.44Å
160C94.3Very high84Confident9 Ų968.7 Ų68.76%0.06136%0.357CS..EExtended strand (participates in β ladder)trans-144.6140.4-171.9-68.30000109.9I127 L129 M164 L200I127-C160 PolarHBondContact N-O 3.43Å; I127-C160 PolarHBondContact O-N 3.22Å; L129-C160 HydrophobicContact CD2-CB 4.35Å; C160-M164 HydrophobicContact CB-CB 4.47Å; C160-M164 HydrophobicContact CB-CE 3.9Å; C160-M164 HydrophobicContact CB-SD 3.92Å; C160-M164 VanDerWaalsContact SG-SD 3.7Å; C160-L200 HydrophobicContact CB-CD1 3.34Å
161P93.9Very high86.5Confident55 Ų5569.5 Ų69.536%0.35736%0.356SS..EExtended strand (participates in β ladder)trans-55.8142.5170.1-24.834.3000111.8E125 I126 A163 M164E125-P161 CarbonylContact O-C 3.6Å; E125-P161 WeakPolarHBondContact O-CA 3.24Å; I126-P161 HydrophobicContact CD1-CB 4.39Å; I126-P161 HydrophobicContact CD1-CG 3.92Å; P161-A163 PolarHBondContact O-N 2.9Å; P161-M164 WeakPolarHBondContact O-CB 3.35Å; P161-M164 PolarHBondContact O-N 3.06Å
162A88.4Confident88.9Confident0 Ų064.4 Ų64.40%033%0.334CS..THydrogen-bonded Turntrans-57.2-34.9-177.700000112.7I121 A122 E123 E125 I127 M164 T199 L200 M201I121-A162 HydrophobicContact CG2-CB 3.63Å; A122-A162 VanDerWaalsContact O-CB 3.27Å; A122-A162 WeakPolarHBondContact O-CB 3.27Å; E123-A162 PolarHBondContact O-N 3.43Å; E125-A162 PolarHBondContact O-N 3.27Å; I127-A162 HydrophobicContact CD1-CB 3.6Å; I127-A162 HydrophobicContact CG1-CB 3.99Å; A162-M164 PolarHBondContact O-N 2.82Å; A162-T199 WeakPolarHBondContact O-CB 3.48Å; A162-T199 PolarHBondContact O-OG1 3.21Å; A162-L200 WeakPolarHBondContact O-CB 3.22Å; A162-L200 PolarHBondContact O-N 2.69Å; A162-L200 VanDerWaalsContact O-N 3.1Å; A162-M201 HydrophobicContact CB-CB 4.14Å; A162-M201 PolarHBondContact O-N 3.15Å
163A87.2Confident90.8Very high52 Ų5261.1 Ų61.143%0.4331%0.311SS..THydrogen-bonded Turntrans-67-7.517400000115.3E123 P161 S165E123-A163 HydrophobicContact CB-CB 4.4Å; E123-A163 PolarHBondContact O-N 2.79Å; E123-A163 VanDerWaalsContact O-N 3.1Å; P161-A163 PolarHBondContact O-N 2.9Å; A163-S165 PolarHBondContact O-N 3.3Å
164M92.9Very high92.7Very high50 Ų5058.9 Ų58.925%0.24629%0.293CS..  trans-65.8128.1-179.8-175.1-179.9-67.900111.5C160 P161 A162 H168 L169 T199 L200C160-M164 HydrophobicContact CB-CB 4.47Å; C160-M164 HydrophobicContact CB-CE 3.9Å; C160-M164 HydrophobicContact CB-SD 3.92Å; C160-M164 VanDerWaalsContact SG-SD 3.7Å; P161-M164 WeakPolarHBondContact O-CB 3.35Å; P161-M164 PolarHBondContact O-N 3.06Å; A162-M164 PolarHBondContact O-N 2.82Å; M164-H168 HydrophobicContact CG-CB 3.7Å; M164-H168 HydrophobicContact SD-CB 4.31Å; M164-L169 HydrophobicContact SD-CD2 3.83Å; M164-L169 HydrophobicContact SD-CG 4.27Å; M164-T199 CarbonylContact O-C 3.53Å; M164-T199 VanDerWaalsContact O-CA 3.27Å; M164-T199 WeakPolarHBondContact O-CA 3.37Å; M164-L200 HydrophobicContact CB-CD1 4.07Å; M164-L200 HydrophobicContact CB-CG 4.43Å; M164-L200 PolarHBondContact O-N 3.24Å
165S94.3Very high93.7Very high12 Ų1261.6 Ų61.68%0.08431%0.305CS..BIsolated β-bridgetrans-83.3157.318068.10000114.8A163 M167 H168 L169 Y198A163-S165 PolarHBondContact O-N 3.3Å; S165-M167 PolarHBondContact O-N 3.32Å; S165-H168 WeakPolarHBondContact O-CA 3.35Å; S165-H168 WeakPolarHBondContact O-CB 3.47Å; S165-H168 PolarHBondContact O-N 3.19Å; S165-H168 PolarHBondContact OG-CD2 2.9Å; S165-H168 PolarHBondContact OG-N 2.57Å; S165-H168 PolarHBondContact OG-ND1 3.36Å; S165-L169 PolarHBondContact O-N 2.94Å; S165-L169 VanDerWaalsContact O-N 3.12Å; S165-Y198 CarbonylContact C-O 3.59Å; S165-Y198 VanDerWaalsContact CA-O 3.24Å; S165-Y198 WeakPolarHBondContact CA-O 3.16Å
166V95.3Very high94Very high2 Ų263.6 Ų63.61%0.01231%0.313CS..Hα-helixtrans-54.5-37.5167.2170.80000111.4H168 L169 A170 V187 L194 K195 Y198 I203V166-H168 VanDerWaalsContact C-N 3.29Å; V166-H168 PolarHBondContact O-N 2.84Å; V166-L169 PolarHBondContact O-N 3.42Å; V166-A170 WeakPolarHBondContact O-CB 3.32Å; V166-A170 PolarHBondContact O-N 2.75Å; V166-V187 HydrophobicContact CG1-CB 3.95Å; V166-V187 HydrophobicContact CG1-CG2 4.03Å; V166-L194 HydrophobicContact CG1-CB 4.29Å; V166-L194 HydrophobicContact CG2-CB 3.95Å; V166-L194 HydrophobicContact CG2-CD1 4.14Å; V166-K195 VanDerWaalsContact CB-O 3.32Å; V166-K195 WeakPolarHBondContact CB-O 3.22Å; V166-Y198 PolarHBondContact N-O 2.93Å; V166-I203 HydrophobicContact CG2-CD1 3.75Å
167M95.2Very high93.9Very high77 Ų7761 Ų6138%0.37931%0.308SS..Hα-helixtrans-58.5-39.7172.5176.1178.249.200112.2S165 A170 K171 D196S165-M167 PolarHBondContact O-N 3.32Å; M167-A170 PolarHBondContact O-N 3.46Å; M167-K171 HydrophobicContact CG-CD 4.22Å; M167-K171 WeakPolarHBondContact O-CB 3.2Å; M167-K171 VanDerWaalsContact O-CG 3.31Å; M167-K171 WeakPolarHBondContact O-CG 3.37Å; M167-K171 PolarHBondContact O-N 2.84Å; M167-D196 HydrophobicContact CB-CB 4.18Å; M167-D196 VanDerWaalsContact CB-O 3.27Å; M167-D196 WeakPolarHBondContact CB-O 3.48Å; M167-D196 PolarHBondContact N-O 2.86Å
168H96.6Very high93.8Very high92 Ų9262 Ų6243%0.42632%0.319SS..Hα-helixtrans-66.8-43.5176.7-60.5161.8000110.9M164 S165 V166 A170 K171 F172M164-H168 HydrophobicContact CG-CB 3.7Å; M164-H168 HydrophobicContact SD-CB 4.31Å; S165-H168 WeakPolarHBondContact O-CA 3.35Å; S165-H168 WeakPolarHBondContact O-CB 3.47Å; S165-H168 PolarHBondContact O-N 3.19Å; S165-H168 PolarHBondContact OG-CD2 2.9Å; S165-H168 PolarHBondContact OG-N 2.57Å; S165-H168 PolarHBondContact OG-ND1 3.36Å; V166-H168 VanDerWaalsContact C-N 3.29Å; V166-H168 PolarHBondContact O-N 2.84Å; H168-A170 PolarHBondContact O-N 2.77Å; H168-K171 PolarHBondContact O-N 3.24Å; H168-F172 WeakPolarHBondContact O-CB 3.5Å; H168-F172 PolarHBondContact O-N 3.41Å
169L96Very high93.6Very high1 Ų160.6 Ų60.61%0.00531%0.312CS..Hα-helixtrans-61-42.1173.7-65.9173.5000112.6L129 M164 S165 V166 F172 L173 V187 L200 L217L129-L169 HydrophobicContact CD2-CD1 4.45Å; L129-L169 HydrophobicContact CD2-CD2 4.18Å; M164-L169 HydrophobicContact SD-CD2 3.83Å; M164-L169 HydrophobicContact SD-CG 4.27Å; S165-L169 PolarHBondContact O-N 2.94Å; S165-L169 VanDerWaalsContact O-N 3.12Å; V166-L169 PolarHBondContact O-N 3.42Å; L169-F172 PolarHBondContact O-N 3.38Å; L169-L173 WeakPolarHBondContact O-CB 3.04Å; L169-L173 WeakPolarHBondContact O-CG 3.12Å; L169-L173 PolarHBondContact O-N 3.05Å; L169-V187 HydrophobicContact CB-CG2 4.37Å; L169-L200 HydrophobicContact CD1-CD2 4.03Å; L169-L217 HydrophobicContact CD1-CD1 3.69Å
170A95.4Very high93.5Very high12 Ų1256.7 Ų56.710%0.09930%0.3CS..Hα-helixtrans-66.2-37.717800000112.4V166 M167 H168 R174 V185 V187V166-A170 WeakPolarHBondContact O-CB 3.32Å; V166-A170 PolarHBondContact O-N 2.75Å; M167-A170 PolarHBondContact O-N 3.46Å; H168-A170 PolarHBondContact O-N 2.77Å; A170-R174 WeakPolarHBondContact O-CB 3.04Å; A170-R174 PolarHBondContact O-N 3.39Å; A170-V185 HydrophobicContact CB-CB 4.31Å; A170-V185 HydrophobicContact CB-CG1 4.44Å; A170-V187 HydrophobicContact CB-CG2 4.4Å
171K95.3Very high93.2Very high115 Ų11562.6 Ų62.650%0.533%0.331SS..Hα-helixtrans-66.7-45171.8-73.9171.8-177.7173.50111.6M167 H168 R174 S175M167-K171 HydrophobicContact CG-CD 4.22Å; M167-K171 WeakPolarHBondContact O-CB 3.2Å; M167-K171 VanDerWaalsContact O-CG 3.31Å; M167-K171 WeakPolarHBondContact O-CG 3.37Å; M167-K171 PolarHBondContact O-N 2.84Å; H168-K171 PolarHBondContact O-N 3.24Å; K171-R174 PolarHBondContact O-N 3.49Å; K171-S175 PolarHBondContact O-N 3.46Å
172F95.9Very high93.1Very high85 Ų8563.8 Ų63.837%0.37333%0.334SS..Hα-helixtrans-57.6-50.7175.5167.2-97.2000111.3L158 H168 L169 R174 S175 K176L158-F172 HydrophobicContact CD1-CD1 4.35Å; L158-F172 HydrophobicContact CD1-CE1 3.79Å; L158-F172 HydrophobicContact CD1-CZ 4.32Å; L158-F172 HydrophobicContact CD2-CE1 4.4Å; L158-F172 HydrophobicContact CD2-CZ 4.13Å; H168-F172 WeakPolarHBondContact O-CB 3.5Å; H168-F172 PolarHBondContact O-N 3.41Å; L169-F172 PolarHBondContact O-N 3.38Å; F172-R174 VanDerWaalsContact C-N 3.35Å; F172-R174 PolarHBondContact O-N 3.06Å; F172-S175 PolarHBondContact O-N 3.28Å; F172-K176 HydrophobicContact CE1-CB 4.36Å; F172-K176 HydrophobicContact CE1-CG 4.44Å; F172-K176 HydrophobicContact CE2-CB 4.4Å; F172-K176 HydrophobicContact CZ-CB 4.2Å; F172-K176 HydrophobicContact CZ-CG 4.06Å; F172-K176 VanDerWaalsContact O-CB 3.23Å; F172-K176 WeakPolarHBondContact O-CB 3.28Å; F172-K176 PolarHBondContact O-N 3.29Å
173L94.4Very high93.3Very high6 Ų668 Ų683%0.03135%0.35CS..Hα-helixtrans-60.9-41.8177.1-76.8172.6000112.3I131 L169 S175 K176 M177 V185 V187 Y219I131-L173 HydrophobicContact CD1-CD1 3.71Å; I131-L173 HydrophobicContact CD1-CD2 4.28Å; I131-L173 HydrophobicContact CD1-CG 4.23Å; I131-L173 HydrophobicContact CG1-CD1 4.46Å; L169-L173 WeakPolarHBondContact O-CB 3.04Å; L169-L173 WeakPolarHBondContact O-CG 3.12Å; L169-L173 PolarHBondContact O-N 3.05Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.04Å; L173-K176 PolarHBondContact O-N 2.99Å; L173-M177 WeakPolarHBondContact O-CB 3.48Å; L173-M177 PolarHBondContact O-N 3.02Å; L173-V185 HydrophobicContact CB-CG1 4.07Å; L173-V185 HydrophobicContact CD1-CG1 3.72Å; L173-V187 HydrophobicContact CD1-CG2 4.41Å; L173-Y219 VanDerWaalsContact CD1-CB 3.49Å; L173-Y219 HydrophobicContact CD1-CD1 4.01Å; L173-Y219 HydrophobicContact CD1-CD2 3.94Å; L173-Y219 HydrophobicContact CD1-CG 3.55Å; L173-Y219 HydrophobicContact CD2-CD1 4.03Å; L173-Y219 HydrophobicContact CD2-CD2 4.43Å; L173-Y219 HydrophobicContact CD2-CE1 4.03Å; L173-Y219 HydrophobicContact CD2-CE2 4.42Å; L173-Y219 HydrophobicContact CD2-CG 4.24Å
174R94.4Very high93.5Very high76 Ų7671.5 Ų71.529%0.28735%0.353SS..Hα-helixtrans-56.2-47.8175.4175.1175.5-74.3122.4-5.5111.5A170 K171 F172 D178 I179 Y183 V185A170-R174 WeakPolarHBondContact O-CB 3.04Å; A170-R174 PolarHBondContact O-N 3.39Å; K171-R174 PolarHBondContact O-N 3.49Å; F172-R174 VanDerWaalsContact C-N 3.35Å; F172-R174 PolarHBondContact O-N 3.06Å; R174-D178 WeakPolarHBondContact O-CA 3.48Å; R174-D178 PolarHBondContact O-N 3.02Å; R174-I179 HydrophobicContact CG-CB 4.3Å; R174-I179 VanDerWaalsContact CG-O 3.32Å; R174-I179 WeakPolarHBondContact CG-O 3.49Å; R174-I179 PolarHBondContact O-N 3.17Å; R174-Y183 PolarHBondContact NH2-O 3.26Å; R174-V185 HydrophobicContact CB-CG2 4.4Å
175S94.9Very high93.6Very high102 Ų10269.7 Ų69.771%0.71334%0.344SS*.Hα-helixtrans-71.1-43179.4174.80000112.4K171 F172 L173 M177 D178K171-S175 PolarHBondContact O-N 3.46Å; F172-S175 PolarHBondContact O-N 3.28Å; L173-S175 VanDerWaalsContact C-N 3.33Å; L173-S175 PolarHBondContact O-N 3.04Å; S175-M177 VanDerWaalsContact C-N 3.32Å; S175-M177 PolarHBondContact O-N 3.27Å; S175-D178 PolarHBondContact O-N 3.43Å
176K92.6Very high93.6Very high130 Ų13070.5 Ų70.557%0.56535%0.347SS*.Hα-helixtrans-70.9-26.3-174.8-173.257.4176.8179.30113.7F172 L173F172-K176 HydrophobicContact CE1-CB 4.36Å; F172-K176 HydrophobicContact CE1-CG 4.44Å; F172-K176 HydrophobicContact CE2-CB 4.4Å; F172-K176 HydrophobicContact CZ-CB 4.2Å; F172-K176 HydrophobicContact CZ-CG 4.06Å; F172-K176 VanDerWaalsContact O-CB 3.23Å; F172-K176 WeakPolarHBondContact O-CB 3.28Å; F172-K176 PolarHBondContact O-N 3.29Å; L173-K176 PolarHBondContact O-N 2.99Å
177M90.3Very high93.7Very high84 Ų8470.5 Ų70.541%0.41435%0.347SS..THydrogen-bonded Turntrans-113.112.8-178.5-55.9-59.7-5700112.8L173 S175 I179L173-M177 WeakPolarHBondContact O-CB 3.48Å; L173-M177 PolarHBondContact O-N 3.02Å; S175-M177 VanDerWaalsContact C-N 3.32Å; S175-M177 PolarHBondContact O-N 3.27Å; M177-I179 HydrophobicContact CB-CD1 3.91Å; M177-I179 HydrophobicContact CB-CG1 3.88Å; M177-I179 PolarHBondContact O-N 3.1Å
178D92Very high93.6Very high145 Ų14567 Ų6778%0.77533%0.33SS*.THydrogen-bonded Turntrans43.852.2-178.2-16431.3000114.5R174 S175 P180R174-D178 WeakPolarHBondContact O-CA 3.48Å; R174-D178 PolarHBondContact O-N 3.02Å; S175-D178 PolarHBondContact O-N 3.43Å; D178-P180 VanDerWaalsContact O-CD 3.27Å; D178-P180 WeakPolarHBondContact O-CD 3.46Å
179I91.4Very high93.3Very high15 Ų1565.2 Ų65.28%0.07732%0.32CS..  trans-86114-173.7-61169.9000109.7R174 M177 V185 V221R174-I179 HydrophobicContact CG-CB 4.3Å; R174-I179 VanDerWaalsContact CG-O 3.32Å; R174-I179 WeakPolarHBondContact CG-O 3.49Å; R174-I179 PolarHBondContact O-N 3.17Å; M177-I179 HydrophobicContact CB-CD1 3.91Å; M177-I179 HydrophobicContact CB-CG1 3.88Å; M177-I179 PolarHBondContact O-N 3.1Å; I179-V185 HydrophobicContact CD1-CG2 3.62Å; I179-V185 HydrophobicContact CG2-CG2 4.44Å; I179-V221 HydrophobicContact CD1-CG2 3.7Å; I179-V221 HydrophobicContact CG2-CG1 3.85Å
180P91.9Very high92.9Very high71 Ų7166.9 Ų66.946%0.46134%0.337SS..  trans-69.8156.5-174.823.2-28.6000113D178 N182 Y183D178-P180 VanDerWaalsContact O-CD 3.27Å; D178-P180 WeakPolarHBondContact O-CD 3.46Å; P180-N182 VanDerWaalsContact CB-OD1 3.28Å; P180-N182 WeakPolarHBondContact CB-OD1 3.4Å; P180-N182 VanDerWaalsContact CG-OD1 3.31Å; P180-N182 WeakPolarHBondContact CG-OD1 3.47Å; P180-N182 PolarHBondContact O-N 3.21Å; P180-N182 PolarHBondContact O-OD1 3.36Å; P180-Y183 HydrophobicContact CG-CD2 3.97Å; P180-Y183 HydrophobicContact CG-CE2 4.2Å; P180-Y183 PolarHBondContact O-N 2.85Å
181N89.3Confident92.3Very high132 Ų13272 Ų7271%0.70636%0.363SS*.THydrogen-bonded Turntrans-65.6-10.2-170.8-69.4-34.8000115.2Y183 T224N181-Y183 PolarHBondContact O-N 2.93Å; N181-T224 PolarHBondContact O-OG1 3.12Å
182N92.1Very high91.9Very high80 Ų8070.1 Ų70.143%0.42836%0.356SS..THydrogen-bonded Turntrans-74.32.8165.761.9-27.6000113.3P180 P223 T224P180-N182 VanDerWaalsContact CB-OD1 3.28Å; P180-N182 WeakPolarHBondContact CB-OD1 3.4Å; P180-N182 VanDerWaalsContact CG-OD1 3.31Å; P180-N182 WeakPolarHBondContact CG-OD1 3.47Å; P180-N182 PolarHBondContact O-N 3.21Å; P180-N182 PolarHBondContact O-OD1 3.36Å; N182-P223 CarbonylContact O-C 3.59Å; N182-P223 WeakPolarHBondContact O-CA 3.43Å; N182-T224 VanDerWaalsContact CA-OG1 3.32Å; N182-T224 WeakPolarHBondContact CA-OG1 3.29Å; N182-T224 PolarHBondContact O-N 3.29Å; N182-T224 PolarHBondContact O-OG1 3.15Å; N182-T224 VanDerWaalsContact O-OG1 3.1Å
183Y92.6Very high91.6Very high88 Ų8868.8 Ų68.835%0.34536%0.355SS..EExtended strand (participates in β ladder)trans-127.1148.6171.1-61.1-92.6000112.4R174 P180 N181 V221 K222 P223R174-Y183 PolarHBondContact NH2-O 3.26Å; P180-Y183 HydrophobicContact CG-CD2 3.97Å; P180-Y183 HydrophobicContact CG-CE2 4.2Å; P180-Y183 PolarHBondContact O-N 2.85Å; N181-Y183 PolarHBondContact O-N 2.93Å; Y183-V221 HydrophobicContact CD1-CG1 3.82Å; Y183-V221 HydrophobicContact CG-CG1 3.92Å; Y183-K222 CarbonylContact C-O 3.58Å; Y183-K222 VanDerWaalsContact CA-O 3.3Å; Y183-K222 WeakPolarHBondContact CA-O 3.38Å; Y183-P223 HydrophobicContact CD1-CB 4.4Å; Y183-P223 HydrophobicContact CD1-CG 4.17Å; Y183-P223 HydrophobicContact CE1-CB 4.33Å; Y183-P223 HydrophobicContact CE1-CG 3.85Å
184R91.1Very high91.5Very high127 Ų12769.1 Ų69.148%0.47936%0.357SS..EExtended strand (participates in β ladder)trans-108.2141.8168.869.7-176.8-166.7-163.96.9109.7E186 V221 K222 T224R184-E186 IonicContact CZ-OE1 3.13Å; R184-E186 IonicContact NE-OE1 2.68Å; R184-E186 PolarHBondContact NE-OE1 3.33Å; R184-E186 IonicContact NH2-OE1 2.68Å; R184-E186 PolarHBondContact NH2-OE1 2.68Å; R184-V221 WeakPolarHBondContact O-CA 3.28Å; R184-K222 HydrophobicContact CG-CB 4.23Å; R184-K222 PolarHBondContact N-O 3.03Å; R184-K222 PolarHBondContact O-N 2.83Å; R184-T224 HydrophobicContact CB-CG2 3.94Å; R184-T224 HydrophobicContact CG-CG2 4.5Å
185V94.9Very high91.2Very high12 Ų1270.1 Ų70.17%0.07336%0.364CS..EExtended strand (participates in β ladder)trans-92124.3169-177.10000106.9A170 L173 R174 I179 Y219A170-V185 HydrophobicContact CB-CB 4.31Å; A170-V185 HydrophobicContact CB-CG1 4.44Å; L173-V185 HydrophobicContact CB-CG1 4.07Å; L173-V185 HydrophobicContact CD1-CG1 3.72Å; R174-V185 HydrophobicContact CB-CG2 4.4Å; I179-V185 HydrophobicContact CD1-CG2 3.62Å; I179-V185 HydrophobicContact CG2-CG2 4.44Å; V185-Y219 HydrophobicContact CG1-CD2 4.24Å
186E94.9Very high91Very high28 Ų2870.1 Ų70.113%0.13136%0.356CS..EExtended strand (participates in β ladder)trans-105.9128.6166.1-71174.9-150.500107.8R184 L188 Y219 L220 K222R184-E186 IonicContact CZ-OE1 3.13Å; R184-E186 IonicContact NE-OE1 2.68Å; R184-E186 PolarHBondContact NE-OE1 3.33Å; R184-E186 IonicContact NH2-OE1 2.68Å; R184-E186 PolarHBondContact NH2-OE1 2.68Å; E186-L188 WeakPolarHBondContact O-CD1 3.35Å; E186-Y219 CarbonylContact O-C 3.59Å; E186-Y219 VanDerWaalsContact O-CA 3.29Å; E186-Y219 WeakPolarHBondContact O-CA 3.39Å; E186-L220 PolarHBondContact N-O 3.25Å; E186-L220 PolarHBondContact O-N 3.19Å; E186-K222 WeakPolarHBondContact OE1-CD 3.08Å; E186-K222 IonicContact OE1-NZ 3.17Å; E186-K222 PolarHBondContact OE1-NZ 2.89Å; E186-K222 VanDerWaalsContact OE1-NZ 3.17Å; E186-K222 WeakPolarHBondContact OE2-CE 3.17Å; E186-K222 IonicContact OE2-NZ 2.6Å; E186-K222 PolarHBondContact OE2-NZ 3.34Å
187V95.7Very high90.6Very high3 Ų371 Ų712%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-93.7140.5172.2-172.20000108V166 L169 A170 L173 L194 L217 Q218V166-V187 HydrophobicContact CG1-CB 3.95Å; V166-V187 HydrophobicContact CG1-CG2 4.03Å; L169-V187 HydrophobicContact CB-CG2 4.37Å; A170-V187 HydrophobicContact CB-CG2 4.4Å; L173-V187 HydrophobicContact CD1-CG2 4.41Å; V187-L194 HydrophobicContact CG1-CD1 4.2Å; V187-L194 PolarHBondContact O-N 2.91Å; V187-L217 HydrophobicContact CG1-CB 4.3Å; V187-L217 HydrophobicContact CG1-CD1 4.2Å; V187-Q218 CarbonylContact C-O 3.48Å; V187-Q218 WeakPolarHBondContact CA-O 2.96Å
188L93.7Very high90.6Very high4 Ų467.5 Ų67.52%0.02134%0.339CS..EExtended strand (participates in β ladder)trans-126.5150.5-176.5-53.793.7000111.3E186 G190 E192 L217 Q218 L220E186-L188 WeakPolarHBondContact O-CD1 3.35Å; L188-G190 WeakPolarHBondContact CB-O 3.44Å; L188-E192 CarbonylContact C-O 3.6Å; L188-E192 WeakPolarHBondContact CA-O 3.34Å; L188-E192 WeakPolarHBondContact CB-O 3.47Å; L188-L217 WeakPolarHBondContact O-CA 2.91Å; L188-Q218 HydrophobicContact CB-CB 4.4Å; L188-Q218 PolarHBondContact N-O 2.87Å; L188-Q218 PolarHBondContact O-N 2.83Å; L188-L220 HydrophobicContact CD1-CB 3.84Å
189Y91.3Very high90.6Very high53 Ų5362.1 Ų62.121%0.20831%0.311CS..EExtended strand (participates in β ladder)trans-112.2115161-172.9-82.1000107.5D191 E192 I203 Y207 I215 P216 L217Y189-D191 PolarHBondContact O-N 3.33Å; Y189-E192 PolarHBondContact N-O 3.21Å; Y189-E192 PolarHBondContact O-N 3.1Å; Y189-E192 VanDerWaalsContact O-N 3.11Å; Y189-I203 HydrophobicContact CD2-CG2 3.93Å; Y189-I203 HydrophobicContact CE2-CG2 4.44Å; Y189-Y207 AromaticContact CD1-CD1 3.36Å; Y189-Y207 HydrophobicContact CD1-CD1 3.36Å; Y189-Y207 AromaticContact CD1-CD2 3.87Å; Y189-Y207 HydrophobicContact CD1-CD2 3.87Å; Y189-Y207 AromaticContact CD1-CE1 3.61Å; Y189-Y207 HydrophobicContact CD1-CE1 3.61Å; Y189-Y207 HydrophobicContact CD1-CE2 4.09Å; Y189-Y207 AromaticContact CD1-CG 3.5Å; Y189-Y207 HydrophobicContact CD1-CG 3.5Å; Y189-Y207 VanDerWaalsContact CD1-CG 3.5Å; Y189-Y207 AromaticContact CD1-CZ 3.98Å; Y189-Y207 AromaticContact CD2-CD2 3.94Å; Y189-Y207 HydrophobicContact CD2-CD2 3.94Å; Y189-Y207 HydrophobicContact CD2-CE2 4.41Å; Y189-Y207 HydrophobicContact CD2-CG 4.14Å; Y189-Y207 AromaticContact CE1-CD1 3.48Å; Y189-Y207 HydrophobicContact CE1-CD1 3.48Å; Y189-Y207 VanDerWaalsContact CE1-CD1 3.48Å; Y189-Y207 HydrophobicContact CE1-CD2 4.23Å; Y189-Y207 HydrophobicContact CE1-CE1 4.2Å; Y189-Y207 AromaticContact CE1-CG 3.5Å; Y189-Y207 HydrophobicContact CE1-CG 3.5Å; Y189-Y207 VanDerWaalsContact CE1-CG 3.5Å; Y189-Y207 HydrophobicContact CE2-CD2 4.29Å; Y189-Y207 HydrophobicContact CE2-CG 4.14Å; Y189-Y207 HydrophobicContact CG-CD1 4.08Å; Y189-Y207 AromaticContact CG-CD2 3.71Å; Y189-Y207 HydrophobicContact CG-CD2 3.71Å; Y189-Y207 HydrophobicContact CG-CE1 4.19Å; Y189-Y207 AromaticContact CG-CE2 3.84Å; Y189-Y207 HydrophobicContact CG-CE2 3.84Å; Y189-Y207 AromaticContact CG-CG 3.84Å; Y189-Y207 HydrophobicContact CG-CG 3.84Å; Y189-Y207 VanDerWaalsContact CZ-CB 3.5Å; Y189-Y207 AromaticContact CZ-CG 3.83Å; Y189-I215 HydrophobicContact CD2-CG2 4.26Å; Y189-I215 HydrophobicContact CE2-CG2 4.07Å; Y189-P216 HydrophobicContact CE2-CG 4.17Å; Y189-L217 HydrophobicContact CD2-CD2 4.09Å
190G86.8Confident90.6Very high36 Ų3661.4 Ų61.437%0.37131%0.307SS..THydrogen-bonded Turntrans54.5-126.7-161.700000110.8L188 Q218L188-G190 WeakPolarHBondContact CB-O 3.44Å; G190-Q218 PolarHBondContact O-OE1 2.89Å
191D82.9Confident90.3Very high121 Ų12159.9 Ų59.965%0.64730%0.295SS*.THydrogen-bonded Turntrans-89.6-2.4177.8-68.2-64.6000114.8Y134 Y189Y134-D191 VanDerWaalsContact CE2-OD1 3.3Å; Y134-D191 WeakPolarHBondContact CE2-OD1 3.48Å; Y134-D191 PolarHBondContact OH-OD1 2.97Å; Y189-D191 PolarHBondContact O-N 3.33Å
192E86.5Confident90.2Very high75 Ų7554 Ų5435%0.3526%0.263SS..EExtended strand (participates in β ladder)trans-93.6125.6-174.9-168.5179.1174.500112.8L188 Y189 L194 Y207L188-E192 CarbonylContact C-O 3.6Å; L188-E192 WeakPolarHBondContact CA-O 3.34Å; L188-E192 WeakPolarHBondContact CB-O 3.47Å; Y189-E192 PolarHBondContact N-O 3.21Å; Y189-E192 PolarHBondContact O-N 3.1Å; Y189-E192 VanDerWaalsContact O-N 3.11Å; E192-L194 PolarHBondContact O-N 2.95Å; E192-Y207 PolarHBondContact OE2-OH 3.15Å; E192-Y207 VanDerWaalsContact OE2-OH 3.05Å
193P89.6Confident90Very high56 Ų5650.2 Ų50.236%0.36424%0.243SC..EExtended strand (participates in β ladder)trans-75.5119.5175.530.8-33.9000112.1
194L91.8Very high89.7Confident13 Ų1346.1 Ų46.17%0.06823%0.228CC..PPolyproline II helixtrans-72.1161-179.1-57.3176.5000112V166 V187 E192 Y198 I203 Y207 L217V166-L194 HydrophobicContact CG1-CB 4.29Å; V166-L194 HydrophobicContact CG2-CB 3.95Å; V166-L194 HydrophobicContact CG2-CD1 4.14Å; V187-L194 HydrophobicContact CG1-CD1 4.2Å; V187-L194 PolarHBondContact O-N 2.91Å; E192-L194 PolarHBondContact O-N 2.95Å; L194-Y198 HydrophobicContact CB-CD2 4.41Å; L194-Y198 HydrophobicContact CD2-CD2 4.49Å; L194-I203 HydrophobicContact CD1-CD1 3.68Å; L194-I203 HydrophobicContact CD1-CG1 3.98Å; L194-Y207 HydrophobicContact CD2-CE2 3.67Å; L194-L217 HydrophobicContact CD1-CD2 3.96Å
195K88.8Confident89.1Confident98 Ų9843.5 Ų43.543%0.42622%0.218SC..PPolyproline II helixtrans-89.9138.9175.5-55.2-54.8-179.4-152.50111V166 Y197 Y198V166-K195 VanDerWaalsContact CB-O 3.32Å; V166-K195 WeakPolarHBondContact CB-O 3.22Å; K195-Y197 HydrophobicContact CB-CD1 3.85Å; K195-Y197 HydrophobicContact CB-CE1 3.54Å; K195-Y197 HydrophobicContact CB-CE2 4.36Å; K195-Y197 HydrophobicContact CB-CG 4.38Å; K195-Y197 HydrophobicContact CG-CE1 3.92Å; K195-Y197 PolarHBondContact O-N 3.32Å; K195-Y198 HydrophobicContact CB-CD1 3.96Å; K195-Y198 HydrophobicContact CB-CD2 4.05Å; K195-Y198 HydrophobicContact CB-CE1 3.85Å; K195-Y198 HydrophobicContact CB-CE2 3.97Å; K195-Y198 HydrophobicContact CB-CG 4.05Å; K195-Y198 HydrophobicContact CG-CD1 4.48Å; K195-Y198 HydrophobicContact CG-CD2 4.39Å; K195-Y198 HydrophobicContact CG-CE1 3.88Å; K195-Y198 HydrophobicContact CG-CE2 3.8Å; K195-Y198 WeakPolarHBondContact O-CB 3.43Å; K195-Y198 PolarHBondContact O-N 3.03Å
196D89.9Confident88.4Confident101 Ų10145.1 Ų45.154%0.5422%0.224SC..THydrogen-bonded Turntrans-49.8-31178.9-67.30.1000114.4M167M167-D196 HydrophobicContact CB-CB 4.18Å; M167-D196 VanDerWaalsContact CB-O 3.27Å; M167-D196 WeakPolarHBondContact CB-O 3.48Å; M167-D196 PolarHBondContact N-O 2.86Å
197Y85.6Confident87.7Confident150 Ų15045.9 Ų45.959%0.58823%0.226SC*.THydrogen-bonded Turntrans-89.6-4.9-177.962.5-97000115K195K195-Y197 HydrophobicContact CB-CD1 3.85Å; K195-Y197 HydrophobicContact CB-CE1 3.54Å; K195-Y197 HydrophobicContact CB-CE2 4.36Å; K195-Y197 HydrophobicContact CB-CG 4.38Å; K195-Y197 HydrophobicContact CG-CE1 3.92Å; K195-Y197 PolarHBondContact O-N 3.32Å
198Y90.8Very high86.9Confident9 Ų948.5 Ų48.54%0.03524%0.238CC..  trans-72.7137.5173.9-65.5-13.9000110.4L94 S165 V166 L194 K195 D202 F206L94-Y198 HydrophobicContact CD1-CE1 4.31Å; L94-Y198 VanDerWaalsContact CD1-OH 3.28Å; L94-Y198 WeakPolarHBondContact CD1-OH 3.19Å; L94-Y198 HydrophobicContact CD2-CE1 4.06Å; S165-Y198 CarbonylContact C-O 3.59Å; S165-Y198 VanDerWaalsContact CA-O 3.24Å; S165-Y198 WeakPolarHBondContact CA-O 3.16Å; V166-Y198 PolarHBondContact N-O 2.93Å; L194-Y198 HydrophobicContact CB-CD2 4.41Å; L194-Y198 HydrophobicContact CD2-CD2 4.49Å; K195-Y198 HydrophobicContact CB-CD1 3.96Å; K195-Y198 HydrophobicContact CB-CD2 4.05Å; K195-Y198 HydrophobicContact CB-CE1 3.85Å; K195-Y198 HydrophobicContact CB-CE2 3.97Å; K195-Y198 HydrophobicContact CB-CG 4.05Å; K195-Y198 HydrophobicContact CG-CD1 4.48Å; K195-Y198 HydrophobicContact CG-CD2 4.39Å; K195-Y198 HydrophobicContact CG-CE1 3.88Å; K195-Y198 HydrophobicContact CG-CE2 3.8Å; K195-Y198 WeakPolarHBondContact O-CB 3.43Å; K195-Y198 PolarHBondContact O-N 3.03Å; Y198-D202 HydrophobicContact CG-CB 4.5Å; Y198-F206 AromaticContact CD1-CE2 3.86Å; Y198-F206 HydrophobicContact CD1-CE2 3.86Å; Y198-F206 HydrophobicContact CD2-CD2 4.29Å; Y198-F206 HydrophobicContact CD2-CE2 4.08Å; Y198-F206 AromaticContact CE1-CE2 3.81Å; Y198-F206 HydrophobicContact CE1-CE2 3.81Å; Y198-F206 HydrophobicContact CE1-CZ 4.43Å; Y198-F206 HydrophobicContact CE2-CD2 4.18Å; Y198-F206 HydrophobicContact CE2-CE2 4Å; Y198-F206 HydrophobicContact CG-CE2 4.02Å; Y198-F206 AromaticContact CZ-CE2 3.87Å
199T91.8Very high86.4Confident32 Ų3249.6 Ų49.620%0.19624%0.242CC..BIsolated β-bridgetrans-84.6173.2169.480.30000112.2A162 M164 M201 D202 I203A162-T199 WeakPolarHBondContact O-CB 3.48Å; A162-T199 PolarHBondContact O-OG1 3.21Å; M164-T199 CarbonylContact O-C 3.53Å; M164-T199 VanDerWaalsContact O-CA 3.27Å; M164-T199 WeakPolarHBondContact O-CA 3.37Å; T199-M201 VanDerWaalsContact C-N 3.29Å; T199-M201 WeakPolarHBondContact OG1-CB 3.22Å; T199-M201 PolarHBondContact OG1-N 3.49Å; T199-D202 WeakPolarHBondContact CB-OD1 3.46Å; T199-D202 WeakPolarHBondContact CG2-OD1 3.39Å; T199-D202 VanDerWaalsContact N-CG 3.31Å; T199-D202 PolarHBondContact N-OD1 2.75Å; T199-D202 WeakPolarHBondContact O-CB 3.41Å; T199-D202 PolarHBondContact O-N 3.3Å; T199-D202 PolarHBondContact OG1-N 2.98Å; T199-D202 PolarHBondContact OG1-OD1 2.88Å; T199-I203 WeakPolarHBondContact O-CD1 3.35Å; T199-I203 WeakPolarHBondContact O-CG1 3.33Å; T199-I203 PolarHBondContact O-N 2.88Å
200L91.2Very high85.7Confident0 Ų055.4 Ų55.40%026%0.264CS..Hα-helixtrans-66.8-33169.9-71.3175.6000112I127 L129 C160 A162 M164 L169 D202 I203 A204 L217I127-L200 HydrophobicContact CD1-CB 4.06Å; L129-L200 HydrophobicContact CD2-CD1 3.67Å; L129-L200 HydrophobicContact CD2-CD2 3.59Å; L129-L200 HydrophobicContact CD2-CG 4.3Å; C160-L200 HydrophobicContact CB-CD1 3.34Å; A162-L200 WeakPolarHBondContact O-CB 3.22Å; A162-L200 PolarHBondContact O-N 2.69Å; A162-L200 VanDerWaalsContact O-N 3.1Å; M164-L200 HydrophobicContact CB-CD1 4.07Å; M164-L200 HydrophobicContact CB-CG 4.43Å; M164-L200 PolarHBondContact O-N 3.24Å; L169-L200 HydrophobicContact CD1-CD2 4.03Å; L200-D202 VanDerWaalsContact C-N 3.34Å; L200-I203 HydrophobicContact CD2-CD1 4.15Å; L200-I203 PolarHBondContact O-N 3.34Å; L200-A204 WeakPolarHBondContact O-CB 3.44Å; L200-A204 PolarHBondContact O-N 3.07Å; L200-L217 HydrophobicContact CD2-CD1 4.26Å
201M85.8Confident85.5Confident39 Ų3958.1 Ų58.119%0.19226%0.263CS..Hα-helixtrans-60.7-43.8169.2-170.7179177.100111.2I121 A162 T199 I203 A204 Y205I121-M201 HydrophobicContact CB-CE 4.33Å; I121-M201 HydrophobicContact CB-CG 4.08Å; I121-M201 HydrophobicContact CG2-CB 4.47Å; I121-M201 HydrophobicContact CG2-CG 4.07Å; I121-M201 WeakPolarHBondContact O-CE 3.36Å; A162-M201 HydrophobicContact CB-CB 4.14Å; A162-M201 PolarHBondContact O-N 3.15Å; T199-M201 VanDerWaalsContact C-N 3.29Å; T199-M201 WeakPolarHBondContact OG1-CB 3.22Å; T199-M201 PolarHBondContact OG1-N 3.49Å; M201-I203 PolarHBondContact O-N 3.3Å; M201-A204 PolarHBondContact O-N 2.93Å; M201-Y205 VanDerWaalsContact O-CB 3.28Å; M201-Y205 WeakPolarHBondContact O-CB 3.47Å; M201-Y205 PolarHBondContact O-N 3.44Å
202D85.7Confident85.3Confident9 Ų958.7 Ų58.75%0.04827%0.271CS..Hα-helixtrans-59.3-46.6176.5-66.541.2000111.2R101 Y198 T199 L200 Y205 F206R101-D202 VanDerWaalsContact CZ-CG 3.42Å; R101-D202 IonicContact CZ-OD1 3.01Å; R101-D202 IonicContact CZ-OD2 3.24Å; R101-D202 IonicContact NH1-OD1 2.66Å; R101-D202 PolarHBondContact NH1-OD1 3.31Å; R101-D202 IonicContact NH1-OD2 3.39Å; R101-D202 PolarHBondContact NH1-OD2 3.37Å; R101-D202 IonicContact NH2-OD1 2.69Å; R101-D202 PolarHBondContact NH2-OD1 2.99Å; R101-D202 IonicContact NH2-OD2 3.22Å; R101-D202 PolarHBondContact NH2-OD2 2.87Å; R101-D202 VanDerWaalsContact NH2-OD2 3.1Å; Y198-D202 HydrophobicContact CG-CB 4.5Å; T199-D202 WeakPolarHBondContact CB-OD1 3.46Å; T199-D202 WeakPolarHBondContact CG2-OD1 3.39Å; T199-D202 VanDerWaalsContact N-CG 3.31Å; T199-D202 PolarHBondContact N-OD1 2.75Å; T199-D202 WeakPolarHBondContact O-CB 3.41Å; T199-D202 PolarHBondContact O-N 3.3Å; T199-D202 PolarHBondContact OG1-N 2.98Å; T199-D202 PolarHBondContact OG1-OD1 2.88Å; L200-D202 VanDerWaalsContact C-N 3.34Å; D202-Y205 PolarHBondContact O-N 3.46Å; D202-F206 HydrophobicContact CB-CD2 4.14Å; D202-F206 HydrophobicContact CB-CE2 3.66Å; D202-F206 HydrophobicContact CB-CZ 4.15Å; D202-F206 WeakPolarHBondContact O-CB 3.37Å; D202-F206 WeakPolarHBondContact O-CD2 3.25Å; D202-F206 WeakPolarHBondContact O-CG 3.31Å; D202-F206 PolarHBondContact O-N 2.79Å
203I88.5Confident85.3Confident1 Ų156.7 Ų56.71%0.00527%0.27CS..Hα-helixtrans-64.6-45.3178.9-65.4158.9000110.3V166 Y189 L194 T199 L200 M201 Y205 Y207 I215 L217V166-I203 HydrophobicContact CG2-CD1 3.75Å; Y189-I203 HydrophobicContact CD2-CG2 3.93Å; Y189-I203 HydrophobicContact CE2-CG2 4.44Å; L194-I203 HydrophobicContact CD1-CD1 3.68Å; L194-I203 HydrophobicContact CD1-CG1 3.98Å; T199-I203 WeakPolarHBondContact O-CD1 3.35Å; T199-I203 WeakPolarHBondContact O-CG1 3.33Å; T199-I203 PolarHBondContact O-N 2.88Å; L200-I203 HydrophobicContact CD2-CD1 4.15Å; L200-I203 PolarHBondContact O-N 3.34Å; M201-I203 PolarHBondContact O-N 3.3Å; I203-Y205 PolarHBondContact O-N 3.44Å; I203-Y207 HydrophobicContact CG2-CD2 3.96Å; I203-Y207 HydrophobicContact CG2-CE2 4.45Å; I203-Y207 WeakPolarHBondContact O-CD2 3.24Å; I203-Y207 PolarHBondContact O-N 3.43Å; I203-Y207 VanDerWaalsContact O-N 3.11Å; I203-I215 HydrophobicContact CG2-CG2 3.95Å; I203-L217 HydrophobicContact CG2-CD2 4.24Å
204A86.4Confident85.4Confident2 Ų256.1 Ų56.12%0.01727%0.266CS..Hα-helixtrans-59.1-39.2176.400000111.9I121 L200 M201 E208 W209 I215I121-A204 HydrophobicContact CD1-CB 3.45Å; I121-A204 VanDerWaalsContact CD1-CB 3.45Å; L200-A204 WeakPolarHBondContact O-CB 3.44Å; L200-A204 PolarHBondContact O-N 3.07Å; M201-A204 PolarHBondContact O-N 2.93Å; A204-E208 PolarHBondContact O-N 3.03Å; A204-W209 HydrophobicContact CB-CB 4.09Å; A204-W209 HydrophobicContact CB-CD2 4.47Å; A204-W209 HydrophobicContact CB-CE3 3.83Å; A204-W209 PolarHBondContact O-N 2.87Å; A204-I215 HydrophobicContact CB-CD1 4.03Å
205Y78.3Confident85.5Confident71 Ų7155.5 Ų55.528%0.27826%0.263SS..Hα-helixtrans-69.9-56.3177.7-170.2-92.6000112.2M97 F119 M201 D202 I203 Y207 E208M97-Y205 HydrophobicContact CB-CE1 4.12Å; M97-Y205 HydrophobicContact CG-CE1 3.92Å; M97-Y205 HydrophobicContact SD-CE1 3.72Å; M97-Y205 PolarHBondContact SD-OH 3.46Å; F119-Y205 HydrophobicContact CB-CD2 4.26Å; F119-Y205 HydrophobicContact CB-CE2 4.14Å; F119-Y205 AromaticContact CD1-CD2 3.41Å; F119-Y205 HydrophobicContact CD1-CD2 3.41Å; F119-Y205 VanDerWaalsContact CD1-CD2 3.41Å; F119-Y205 AromaticContact CD1-CE2 3.66Å; F119-Y205 HydrophobicContact CD1-CE2 3.66Å; F119-Y205 HydrophobicContact CD1-CG 4.38Å; F119-Y205 HydrophobicContact CD2-CE2 4.06Å; F119-Y205 AromaticContact CE1-CD2 3.83Å; F119-Y205 HydrophobicContact CE1-CD2 3.83Å; F119-Y205 HydrophobicContact CE1-CE2 4.01Å; F119-Y205 HydrophobicContact CE1-CG 4.49Å; F119-Y205 HydrophobicContact CE2-CE2 4.38Å; F119-Y205 AromaticContact CG-CD2 3.87Å; F119-Y205 HydrophobicContact CG-CD2 3.87Å; F119-Y205 AromaticContact CG-CE2 3.69Å; F119-Y205 HydrophobicContact CG-CE2 3.69Å; F119-Y205 HydrophobicContact CZ-CE2 4.36Å; M201-Y205 VanDerWaalsContact O-CB 3.28Å; M201-Y205 WeakPolarHBondContact O-CB 3.47Å; M201-Y205 PolarHBondContact O-N 3.44Å; D202-Y205 PolarHBondContact O-N 3.46Å; I203-Y205 PolarHBondContact O-N 3.44Å; Y205-Y207 VanDerWaalsContact C-N 3.26Å; Y205-Y207 PolarHBondContact O-N 3.07Å; Y205-E208 PolarHBondContact O-N 2.87Å
206F80Confident85.7Confident46 Ų4653.6 Ų53.620%0.20226%0.261CS..Hα-helixtrans-62-29.7-175.7-61.5-33.6000113.7L94 M97 Y198 D202L94-F206 HydrophobicContact CD1-CD1 4.07Å; L94-F206 HydrophobicContact CD1-CD2 4.06Å; L94-F206 HydrophobicContact CD1-CE1 3.66Å; L94-F206 HydrophobicContact CD1-CE2 3.64Å; L94-F206 HydrophobicContact CD1-CG 4.28Å; L94-F206 HydrophobicContact CD1-CZ 3.44Å; L94-F206 VanDerWaalsContact CD1-CZ 3.44Å; L94-F206 HydrophobicContact CG-CE1 4.04Å; L94-F206 HydrophobicContact CG-CE2 4.44Å; L94-F206 HydrophobicContact CG-CZ 3.83Å; M97-F206 HydrophobicContact CB-CE1 4.49Å; Y198-F206 AromaticContact CD1-CE2 3.86Å; Y198-F206 HydrophobicContact CD1-CE2 3.86Å; Y198-F206 HydrophobicContact CD2-CD2 4.29Å; Y198-F206 HydrophobicContact CD2-CE2 4.08Å; Y198-F206 AromaticContact CE1-CE2 3.81Å; Y198-F206 HydrophobicContact CE1-CE2 3.81Å; Y198-F206 HydrophobicContact CE1-CZ 4.43Å; Y198-F206 HydrophobicContact CE2-CD2 4.18Å; Y198-F206 HydrophobicContact CE2-CE2 4Å; Y198-F206 HydrophobicContact CG-CE2 4.02Å; Y198-F206 AromaticContact CZ-CE2 3.87Å; D202-F206 HydrophobicContact CB-CD2 4.14Å; D202-F206 HydrophobicContact CB-CE2 3.66Å; D202-F206 HydrophobicContact CB-CZ 4.15Å; D202-F206 WeakPolarHBondContact O-CB 3.37Å; D202-F206 WeakPolarHBondContact O-CD2 3.25Å; D202-F206 WeakPolarHBondContact O-CG 3.31Å; D202-F206 PolarHBondContact O-N 2.79Å
207Y81.6Confident86Confident44 Ų4448.9 Ų48.917%0.17324%0.236CC..THydrogen-bonded Turntrans-106.716.2-179.4-61.4-75.4000113.8Y189 E192 L194 I203 Y205 W209Y189-Y207 AromaticContact CD1-CD1 3.36Å; Y189-Y207 HydrophobicContact CD1-CD1 3.36Å; Y189-Y207 AromaticContact CD1-CD2 3.87Å; Y189-Y207 HydrophobicContact CD1-CD2 3.87Å; Y189-Y207 AromaticContact CD1-CE1 3.61Å; Y189-Y207 HydrophobicContact CD1-CE1 3.61Å; Y189-Y207 HydrophobicContact CD1-CE2 4.09Å; Y189-Y207 AromaticContact CD1-CG 3.5Å; Y189-Y207 HydrophobicContact CD1-CG 3.5Å; Y189-Y207 VanDerWaalsContact CD1-CG 3.5Å; Y189-Y207 AromaticContact CD1-CZ 3.98Å; Y189-Y207 AromaticContact CD2-CD2 3.94Å; Y189-Y207 HydrophobicContact CD2-CD2 3.94Å; Y189-Y207 HydrophobicContact CD2-CE2 4.41Å; Y189-Y207 HydrophobicContact CD2-CG 4.14Å; Y189-Y207 AromaticContact CE1-CD1 3.48Å; Y189-Y207 HydrophobicContact CE1-CD1 3.48Å; Y189-Y207 VanDerWaalsContact CE1-CD1 3.48Å; Y189-Y207 HydrophobicContact CE1-CD2 4.23Å; Y189-Y207 HydrophobicContact CE1-CE1 4.2Å; Y189-Y207 AromaticContact CE1-CG 3.5Å; Y189-Y207 HydrophobicContact CE1-CG 3.5Å; Y189-Y207 VanDerWaalsContact CE1-CG 3.5Å; Y189-Y207 HydrophobicContact CE2-CD2 4.29Å; Y189-Y207 HydrophobicContact CE2-CG 4.14Å; Y189-Y207 HydrophobicContact CG-CD1 4.08Å; Y189-Y207 AromaticContact CG-CD2 3.71Å; Y189-Y207 HydrophobicContact CG-CD2 3.71Å; Y189-Y207 HydrophobicContact CG-CE1 4.19Å; Y189-Y207 AromaticContact CG-CE2 3.84Å; Y189-Y207 HydrophobicContact CG-CE2 3.84Å; Y189-Y207 AromaticContact CG-CG 3.84Å; Y189-Y207 HydrophobicContact CG-CG 3.84Å; Y189-Y207 VanDerWaalsContact CZ-CB 3.5Å; Y189-Y207 AromaticContact CZ-CG 3.83Å; E192-Y207 PolarHBondContact OE2-OH 3.15Å; E192-Y207 VanDerWaalsContact OE2-OH 3.05Å; L194-Y207 HydrophobicContact CD2-CE2 3.67Å; I203-Y207 HydrophobicContact CG2-CD2 3.96Å; I203-Y207 HydrophobicContact CG2-CE2 4.45Å; I203-Y207 WeakPolarHBondContact O-CD2 3.24Å; I203-Y207 PolarHBondContact O-N 3.43Å; I203-Y207 VanDerWaalsContact O-N 3.11Å; Y205-Y207 VanDerWaalsContact C-N 3.26Å; Y205-Y207 PolarHBondContact O-N 3.07Å; Y207-W209 VanDerWaalsContact C-N 3.32Å; Y207-W209 PolarHBondContact O-N 3.29Å
208E78.1Confident86.4Confident58 Ų5844.5 Ų44.527%0.27122%0.22SC..THydrogen-bonded Turntrans49.345.7178.6-57.5-174.113000113.7K76 A204 Y205 R210K76-E208 WeakPolarHBondContact CE-OE2 3.39Å; K76-E208 IonicContact NZ-OE2 2.77Å; K76-E208 PolarHBondContact NZ-OE2 3.4Å; A204-E208 PolarHBondContact O-N 3.03Å; Y205-E208 PolarHBondContact O-N 2.87Å; E208-R210 WeakPolarHBondContact O-CG 3.22Å; E208-R210 PolarHBondContact O-N 3.22Å; E208-R210 VanDerWaalsContact O-N 3.15Å
209W83.3Confident86.6Confident27 Ų2745.1 Ų45.110%0.10222%0.223CC..  trans-69.8111.7-176.8177.171.7000111.5I127 A204 Y207 R211 G213 I215I127-W209 HydrophobicContact CG2-CH2 3.79Å; I127-W209 HydrophobicContact CG2-CZ2 4.42Å; I127-W209 HydrophobicContact CG2-CZ3 3.97Å; A204-W209 HydrophobicContact CB-CB 4.09Å; A204-W209 HydrophobicContact CB-CD2 4.47Å; A204-W209 HydrophobicContact CB-CE3 3.83Å; A204-W209 PolarHBondContact O-N 2.87Å; Y207-W209 VanDerWaalsContact C-N 3.32Å; Y207-W209 PolarHBondContact O-N 3.29Å; W209-R211 VanDerWaalsContact C-N 3.32Å; W209-R211 HydrophobicContact CE3-CG 4Å; W209-R211 HydrophobicContact CH2-CB 4.24Å; W209-R211 HydrophobicContact CH2-CG 3.67Å; W209-R211 HydrophobicContact CZ2-CB 4.45Å; W209-R211 HydrophobicContact CZ2-CG 4.34Å; W209-R211 HydrophobicContact CZ3-CB 4.4Å; W209-R211 HydrophobicContact CZ3-CG 3.48Å; W209-R211 VanDerWaalsContact CZ3-CG 3.48Å; W209-R211 PolarHBondContact O-N 2.82Å; W209-G213 VanDerWaalsContact CE2-O 3.25Å; W209-G213 VanDerWaalsContact CZ2-O 3.23Å; W209-G213 WeakPolarHBondContact CZ2-O 3.11Å; W209-G213 PolarHBondContact NE1-O 2.93Å; W209-I215 HydrophobicContact CD2-CD1 4.1Å; W209-I215 HydrophobicContact CD2-CG1 3.63Å; W209-I215 HydrophobicContact CE3-CD1 4.24Å; W209-I215 HydrophobicContact CE3-CG1 4.21Å; W209-I215 HydrophobicContact CG-CD1 4.4Å; W209-I215 HydrophobicContact CG-CG1 3.82Å; W209-I215 HydrophobicContact CZ2-CG1 4.02Å
210R77.3Confident86.7Confident176 Ų17644.5 Ų44.566%0.66422%0.218SC*.  trans-90.926.1-170.9-45.8-170.982.1-170.16114.4E208 T212E208-R210 WeakPolarHBondContact O-CG 3.22Å; E208-R210 PolarHBondContact O-N 3.22Å; E208-R210 VanDerWaalsContact O-N 3.15Å; R210-T212 HydrophobicContact CB-CG2 4.15Å; R210-T212 PolarHBondContact O-N 3.44Å
211R82.6Confident86.8Confident93 Ų9346.5 Ų46.535%0.35123%0.23SC..SBendtrans55.612.9-175-65.5178.2172.2100.4-19.7115.8N120 E125 W209 G213N120-R211 PolarHBondContact O-NH2 2.82Å; E125-R211 IonicContact OE1-CZ 3.88Å; E125-R211 IonicContact OE1-NE 3.07Å; E125-R211 PolarHBondContact OE1-NE 3.29Å; E125-R211 IonicContact OE1-NH2 2.64Å; E125-R211 PolarHBondContact OE1-NH2 3.49Å; E125-R211 IonicContact OE2-CZ 3.9Å; E125-R211 IonicContact OE2-NH2 3.37Å; E125-R211 PolarHBondContact OE2-NH2 3.29Å; W209-R211 VanDerWaalsContact C-N 3.32Å; W209-R211 HydrophobicContact CE3-CG 4Å; W209-R211 HydrophobicContact CH2-CB 4.24Å; W209-R211 HydrophobicContact CH2-CG 3.67Å; W209-R211 HydrophobicContact CZ2-CB 4.45Å; W209-R211 HydrophobicContact CZ2-CG 4.34Å; W209-R211 HydrophobicContact CZ3-CB 4.4Å; W209-R211 HydrophobicContact CZ3-CG 3.48Å; W209-R211 VanDerWaalsContact CZ3-CG 3.48Å; W209-R211 PolarHBondContact O-N 2.82Å; R211-G213 PolarHBondContact O-N 3.39Å
212T77.4Confident87Confident132 Ų13247.5 Ų47.581%0.8123%0.234SC*.SBendtrans-73.622.1-177.154.90000115R210R210-T212 HydrophobicContact CB-CG2 4.15Å; R210-T212 PolarHBondContact O-N 3.44Å
213G86.4Confident87.3Confident33 Ų3351.2 Ų51.234%0.3426%0.258SS..SBendtrans135.6168.4-169.200000111.3W209 R211W209-G213 VanDerWaalsContact CE2-O 3.25Å; W209-G213 VanDerWaalsContact CZ2-O 3.23Å; W209-G213 WeakPolarHBondContact CZ2-O 3.11Å; W209-G213 PolarHBondContact NE1-O 2.93Å; R211-G213 PolarHBondContact O-N 3.39Å
214P92.1Very high87.2Confident44 Ų4453.4 Ų53.429%0.28627%0.272SS..  trans-65.1144.9-174.524.3-32.6000113S128 F157 P216S128-P214 CarbonylContact O-C 3.54Å; S128-P214 WeakPolarHBondContact O-CA 3.35Å; F157-P214 HydrophobicContact CD1-CB 4.31Å; F157-P214 HydrophobicContact CD1-CG 3.86Å; F157-P214 HydrophobicContact CE1-CG 3.72Å; P214-P216 WeakPolarHBondContact O-CD 3.27Å
215I93.4Very high86.5Confident0 Ų065 Ų650%032%0.315CS..EExtended strand (participates in β ladder)trans-55.4121.6175-60.1-175.7000109.7I127 S128 L129 S130 Y189 I203 A204 W209 L217I127-I215 HydrophobicContact CG2-CD1 3.59Å; I127-I215 HydrophobicContact CG2-CG1 4.03Å; S128-I215 PolarHBondContact O-N 2.91Å; L129-I215 WeakPolarHBondContact CA-O 3.17Å; L129-I215 HydrophobicContact CB-CB 4Å; S130-I215 PolarHBondContact N-O 3.29Å; S130-I215 PolarHBondContact OG-O 2.99Å; Y189-I215 HydrophobicContact CD2-CG2 4.26Å; Y189-I215 HydrophobicContact CE2-CG2 4.07Å; I203-I215 HydrophobicContact CG2-CG2 3.95Å; A204-I215 HydrophobicContact CB-CD1 4.03Å; W209-I215 HydrophobicContact CD2-CD1 4.1Å; W209-I215 HydrophobicContact CD2-CG1 3.63Å; W209-I215 HydrophobicContact CE3-CD1 4.24Å; W209-I215 HydrophobicContact CE3-CG1 4.21Å; W209-I215 HydrophobicContact CG-CD1 4.4Å; W209-I215 HydrophobicContact CG-CG1 3.82Å; W209-I215 HydrophobicContact CZ2-CG1 4.02Å; I215-L217 HydrophobicContact CG2-CD2 3.9Å; I215-L217 HydrophobicContact CG2-CG 4.04Å; I215-L217 PolarHBondContact O-N 2.9Å
216P93.8Very high85.7Confident58 Ų5870.1 Ų70.138%0.37734%0.339SS..EExtended strand (participates in β ladder)trans-85.996.5-17832.8-33.3000111.4Y189 P214Y189-P216 HydrophobicContact CE2-CG 4.17Å; P214-P216 WeakPolarHBondContact O-CD 3.27Å
217L95.4Very high84.3Confident3 Ų379.2 Ų79.22%0.01637%0.372CS..EExtended strand (participates in β ladder)trans-98.3151.2173.6-59.5-177.5000111.6L129 S130 I131 Q132 L169 V187 L188 Y189 L194 L200 I203 I215L129-L217 HydrophobicContact CD1-CD1 4.39Å; L129-L217 HydrophobicContact CD2-CD1 4.25Å; S130-L217 WeakPolarHBondContact O-CA 3.26Å; S130-L217 WeakPolarHBondContact O-CB 3.42Å; S130-L217 PolarHBondContact O-N 2.84Å; I131-L217 WeakPolarHBondContact CA-O 3.46Å; I131-L217 HydrophobicContact CD1-CB 4.36Å; I131-L217 HydrophobicContact CG1-CB 4.23Å; Q132-L217 PolarHBondContact N-O 2.94Å; L169-L217 HydrophobicContact CD1-CD1 3.69Å; V187-L217 HydrophobicContact CG1-CB 4.3Å; V187-L217 HydrophobicContact CG1-CD1 4.2Å; L188-L217 WeakPolarHBondContact O-CA 2.91Å; Y189-L217 HydrophobicContact CD2-CD2 4.09Å; L194-L217 HydrophobicContact CD1-CD2 3.96Å; L200-L217 HydrophobicContact CD2-CD1 4.26Å; I203-L217 HydrophobicContact CG2-CD2 4.24Å; I215-L217 HydrophobicContact CG2-CD2 3.9Å; I215-L217 HydrophobicContact CG2-CG 4.04Å; I215-L217 PolarHBondContact O-N 2.9Å
218Q95.3Very high82.9Confident57 Ų5788.2 Ų88.227%0.26641%0.405SS..EExtended strand (participates in β ladder)trans-125.2162.5170.7-69.7176.6-2300109.9Q132 Y134 V187 L188 G190Q132-Q218 CarbonylContact O-C 3.39Å; Q132-Q218 WeakPolarHBondContact O-CA 3.23Å; Y134-Q218 HydrophobicContact CD2-CB 4.38Å; Y134-Q218 VanDerWaalsContact CD2-OE1 3.27Å; V187-Q218 CarbonylContact C-O 3.48Å; V187-Q218 WeakPolarHBondContact CA-O 2.96Å; L188-Q218 HydrophobicContact CB-CB 4.4Å; L188-Q218 PolarHBondContact N-O 2.87Å; L188-Q218 PolarHBondContact O-N 2.83Å; G190-Q218 PolarHBondContact O-OE1 2.89Å
219Y94.7Very high81.6Confident23 Ų2396.4 Ų96.49%0.0943%0.434CS..EExtended strand (participates in β ladder)trans-138.1145.6173.977.3-81.4000112.7I131 Q132 F133 Y134 L173 V185 E186 V221I131-Y219 HydrophobicContact CG1-CD1 4.14Å; Q132-Y219 VanDerWaalsContact O-CD1 3.25Å; Q132-Y219 WeakPolarHBondContact O-CD1 3.29Å; Q132-Y219 PolarHBondContact O-N 2.75Å; F133-Y219 HydrophobicContact CB-CE1 3.89Å; F133-Y219 HydrophobicContact CD2-CD2 4.22Å; F133-Y219 HydrophobicContact CD2-CE1 4.4Å; F133-Y219 AromaticContact CD2-CE2 3.7Å; F133-Y219 HydrophobicContact CD2-CE2 3.7Å; F133-Y219 AromaticContact CD2-CZ 3.79Å; F133-Y219 HydrophobicContact CE2-CE2 4.46Å; Y134-Y219 WeakPolarHBondContact CB-O 3.48Å; Y134-Y219 PolarHBondContact N-O 2.78Å; L173-Y219 VanDerWaalsContact CD1-CB 3.49Å; L173-Y219 HydrophobicContact CD1-CD1 4.01Å; L173-Y219 HydrophobicContact CD1-CD2 3.94Å; L173-Y219 HydrophobicContact CD1-CG 3.55Å; L173-Y219 HydrophobicContact CD2-CD1 4.03Å; L173-Y219 HydrophobicContact CD2-CD2 4.43Å; L173-Y219 HydrophobicContact CD2-CE1 4.03Å; L173-Y219 HydrophobicContact CD2-CE2 4.42Å; L173-Y219 HydrophobicContact CD2-CG 4.24Å; V185-Y219 HydrophobicContact CG1-CD2 4.24Å; E186-Y219 CarbonylContact O-C 3.59Å; E186-Y219 VanDerWaalsContact O-CA 3.29Å; E186-Y219 WeakPolarHBondContact O-CA 3.39Å; Y219-V221 HydrophobicContact CD2-CG2 4.25Å; Y219-V221 HydrophobicContact CE2-CG2 4.18Å
220L93.6Very high79.6Confident19 Ų19100.9 Ų100.910%0.09947%0.466CS..EExtended strand (participates in β ladder)trans-130134-179.5-179.356.9000110.1Y134 E186 L188 K222Y134-L220 HydrophobicContact CD1-CD2 4.47Å; E186-L220 PolarHBondContact N-O 3.25Å; E186-L220 PolarHBondContact O-N 3.19Å; L188-L220 HydrophobicContact CD1-CB 3.84Å; L220-K222 HydrophobicContact CD2-CD 4.49Å; L220-K222 HydrophobicContact CD2-CG 4.42Å; L220-K222 HydrophobicContact CG-CG 4.16Å
221V93.1Very high78Confident41 Ų41100.5 Ų100.525%0.24848%0.477CS..EExtended strand (participates in β ladder)trans-99.7124.9178.2-174.40000108.9F133 I179 Y183 R184 Y219F133-V221 HydrophobicContact CE2-CG2 4.27Å; I179-V221 HydrophobicContact CD1-CG2 3.7Å; I179-V221 HydrophobicContact CG2-CG1 3.85Å; Y183-V221 HydrophobicContact CD1-CG1 3.82Å; Y183-V221 HydrophobicContact CG-CG1 3.92Å; R184-V221 WeakPolarHBondContact O-CA 3.28Å; Y219-V221 HydrophobicContact CD2-CG2 4.25Å; Y219-V221 HydrophobicContact CE2-CG2 4.18Å
222K90.9Very high76.2Confident61 Ų61104.7 Ų104.727%0.26550%0.5SS..EExtended strand (participates in β ladder)trans-127.8141.9179.5-61.7-172.3-165.8158.70111.4Y183 R184 E186 L220 T224Y183-K222 CarbonylContact C-O 3.58Å; Y183-K222 VanDerWaalsContact CA-O 3.3Å; Y183-K222 WeakPolarHBondContact CA-O 3.38Å; R184-K222 HydrophobicContact CG-CB 4.23Å; R184-K222 PolarHBondContact N-O 3.03Å; R184-K222 PolarHBondContact O-N 2.83Å; E186-K222 WeakPolarHBondContact OE1-CD 3.08Å; E186-K222 IonicContact OE1-NZ 3.17Å; E186-K222 PolarHBondContact OE1-NZ 2.89Å; E186-K222 VanDerWaalsContact OE1-NZ 3.17Å; E186-K222 WeakPolarHBondContact OE2-CE 3.17Å; E186-K222 IonicContact OE2-NZ 2.6Å; E186-K222 PolarHBondContact OE2-NZ 3.34Å; L220-K222 HydrophobicContact CD2-CD 4.49Å; L220-K222 HydrophobicContact CD2-CG 4.42Å; L220-K222 HydrophobicContact CG-CG 4.16Å; K222-T224 PolarHBondContact O-N 2.92Å
223P91.8Very high74.4Confident86 Ų86104 Ų10456%0.55850%0.501SS*.EExtended strand (participates in β ladder)trans-56.1132.9173.1-24.132.4000111.7N182 Y183 R225N182-P223 CarbonylContact O-C 3.59Å; N182-P223 WeakPolarHBondContact O-CA 3.43Å; Y183-P223 HydrophobicContact CD1-CB 4.4Å; Y183-P223 HydrophobicContact CD1-CG 4.17Å; Y183-P223 HydrophobicContact CE1-CB 4.33Å; Y183-P223 HydrophobicContact CE1-CG 3.85Å; P223-R225 PolarHBondContact O-N 2.83Å; P223-R225 VanDerWaalsContact O-N 3.13Å
224T85.1Confident72Confident48 Ų48109 Ų10929%0.29453%0.525SS..  trans-70.8108.7168.752.80000108.2N181 N182 R184 K222 K226N181-T224 PolarHBondContact O-OG1 3.12Å; N182-T224 VanDerWaalsContact CA-OG1 3.32Å; N182-T224 WeakPolarHBondContact CA-OG1 3.29Å; N182-T224 PolarHBondContact O-N 3.29Å; N182-T224 PolarHBondContact O-OG1 3.15Å; N182-T224 VanDerWaalsContact O-OG1 3.1Å; R184-T224 HydrophobicContact CB-CG2 3.94Å; R184-T224 HydrophobicContact CG-CG2 4.5Å; K222-T224 PolarHBondContact O-N 2.92Å; T224-K226 VanDerWaalsContact C-N 3.26Å; T224-K226 PolarHBondContact O-N 2.77Å
225R73.2Confident69.4Low244 Ų244111.3 Ų111.392%0.92155%0.548SS*.  trans-65.789.3172.1-70.8-172.1178.1-169.8-0.7108.8P223 R227P223-R225 PolarHBondContact O-N 2.83Å; P223-R225 VanDerWaalsContact O-N 3.13Å; R225-R227 PolarHBondContact O-N 2.78Å
226K61.7Low66.8Low179 Ų179120.7 Ų120.778%0.77859%0.592SS**  trans-56.5107.9164.8-70.2-171.7179.1-176.40107T224 R228T224-K226 VanDerWaalsContact C-N 3.26Å; T224-K226 PolarHBondContact O-N 2.77Å; K226-R228 VanDerWaalsContact C-N 3.33Å; K226-R228 PolarHBondContact O-N 3.07Å
227R49.4Very low63.8Low238 Ų238121.7 Ų121.790%0.89861%0.613SS**  trans-6199.1169.9-177.8-179.8-178.8-173.40.5106.4R225 R229R225-R227 PolarHBondContact O-N 2.78Å; R227-R229 PolarHBondContact O-N 3.05Å
228R51.6Low60.9Low233 Ų233128.7 Ų128.788%0.87965%0.65SS**  trans-55.8113.7169.2-72.8-171.5-179.9-1274.1106K226K226-R228 VanDerWaalsContact C-N 3.33Å; K226-R228 PolarHBondContact O-N 3.07Å
229R50.7Low58.1Low229 Ų229131.2 Ų131.286%0.86467%0.674SS**  trans-60.1129.4155.5-71-175.5-178.4-178.50.9105R227 L231R227-R229 PolarHBondContact O-N 3.05Å; R229-L231 PolarHBondContact O-N 2.96Å; R229-L231 VanDerWaalsContact O-N 3.11Å
230P42.2Very low55.3Low121 Ų121137.6 Ų137.679%0.78671%0.71SS**  trans-55.5120.4164.3-20.332.7000106.9Q232P230-Q232 PolarHBondContact O-N 2.84Å
231L44Very low52.5Low169 Ų169140.3 Ų140.389%0.88574%0.743SS**  trans-66.8115.2166.4-165.473.5000104.8R229 S233R229-L231 PolarHBondContact O-N 2.96Å; R229-L231 VanDerWaalsContact O-N 3.11Å; L231-S233 PolarHBondContact O-N 3.04Å; L231-S233 VanDerWaalsContact O-N 3.11Å
232Q44.6Very low49.7Very low181 Ų181144.7 Ų144.785%0.84677%0.769SS**  trans-63.1117.5175.4-86.7175.1-42.200107.8P230 T234P230-Q232 PolarHBondContact O-N 2.84Å; Q232-T234 PolarHBondContact O-N 3.05Å
233S38.6Very low46.9Very low118 Ų118148.2 Ų148.283%0.82579%0.791SS**  trans-58.8117.6175.4-47.70000109L231 A235L231-S233 PolarHBondContact O-N 3.04Å; L231-S233 VanDerWaalsContact O-N 3.11Å; S233-A235 PolarHBondContact O-N 3.45Å
234T37.7Very low44.3Very low137 Ų137149.9 Ų149.984%0.8480%0.8SS**  trans-66.4112171.6460000109.3Q232Q232-T234 PolarHBondContact O-N 3.05Å
235A36.6Very low42.1Very low93 Ų93153 Ų15377%0.76982%0.823SS**  trans-78.2141.1163.800000109.3S233S233-A235 PolarHBondContact O-N 3.45Å
236Q38.6Very low40.8Very low196 Ų196147 Ų14792%0.91682%0.816SS**  trans-63.7140.3-172-74.1125.8-77.700114.3
237G31.2Very low39.5Very low80 Ų80144.6 Ų144.683%0.82582%0.816SS**  trans-123.6132.9153.800000108
238N34.4Very low38.9Very low149 Ų149139 Ų13980%0.79781%0.814SS**  trans-100.4130.7-163.3-173.886.4000112.8
239S36.2Very low38.1Very low110 Ų110136.8 Ų136.877%0.76981%0.814SS**  trans-167140.1154.258.10000112.5
240D36.4Very low37.4Very low157 Ų157131.8 Ų131.884%0.8481%0.814SS**  trans-71.6157.9-173.6-50.4-93.2000115
241G34Very low37Very low77 Ų77133.2 Ų133.279%0.79482%0.815SS**  trans176.6122.6172.500000113.2
242V34.7Very low36.8Very low132 Ų132131 Ų13180%0.881%0.813SS**  trans-103.2144.4-167158.80000113.3
243N32Very low36.4Very low136 Ų136130.7 Ų130.773%0.72781%0.812SS**  trans87.6131154.1-83.9-7.2000124.1
244T37.3Very low36.7Very low121 Ų121131.1 Ų131.174%0.74282%0.815SS**  trans63.9116.913956.60000121.8
245S38.3Very low36.7Very low112 Ų112132.4 Ų132.478%0.78382%0.817SS**  trans-51156.8148.6-28.10000111.8
246P46.2Very low36.7Very low120 Ų120137 Ų13778%0.77982%0.819SS**  -141.5177.779.339-23.5000115.9
247T34.9Very low36.6Very low127 Ų127134.5 Ų134.578%0.77981%0.811SS**  trans-41.9148.5166.450.80000115.4
248S36.8Very low36.6Very low122 Ų122139.8 Ų139.885%0.85381%0.814SS**  -167.5145.9121.3-100.10000112.6
249E35.2Very low36.8Very low186 Ų186138 Ų13887%0.86981%0.813SS**  trans-86.5150.5172.5-53.7171.911700109.7
250S34.3Very low37.3Very low124 Ų124139 Ų13987%0.86782%0.818SS**  trans-169118.9150.4-83.20000111.3
251D34.6Very low37.1Very low151 Ų151135.9 Ų135.981%0.80781%0.814SS**  trans-61.1148.7158.3-102.2-64.9000111.3
252S40.9Very low37.2Very low122 Ų122137 Ų13785%0.85382%0.815SS**  trans-164.4108.9148.2-84.30000111
253Q35.7Very low37.3Very low175 Ų175137.6 Ų137.682%0.81882%0.819SS**  trans-71.3149.3168.4-62.1171.6-18.100110.7
254S44Very low38Very low126 Ų126139.7 Ų139.788%0.88182%0.824SS**  trans-165103.4152.9-83.30000111.9
255D37.8Very low38.6Very low165 Ų165139.5 Ų139.588%0.88283%0.825SS**  trans-75.7122.9164.4-89.2-75.3000111.3
256K37.3Very low39.2Very low188 Ų188140.6 Ų140.682%0.81783%0.83SS**  -174.6124127.3-112.7178.1175.8177.80114.8
257L35.5Very low38.8Very low144 Ų144146 Ų14675%0.75483%0.834SS**  trans23.7124.2136.3-57.2172.5000119.2
258H31.7Very low38.9Very low191 Ų191144.2 Ų144.288%0.88483%0.833SS**  -166.3135.5114-100.485.1000110.8
259S38.7Very low39.4Very low111 Ų111144.7 Ų144.778%0.77683%0.833SS**  trans-85.3156.3162-61.10000109.9
260P46.8Very low39.5Very low133 Ų133140.4 Ų140.486%0.86482%0.823SS**  -138.2178.5114.334.5-20.7000113.9
261A31.8Very low39.5Very low91 Ų91143.1 Ų143.175%0.75282%0.822SS**  trans-101.1163.2-159.600000116.1
262A36.6Very low39.5Very low100 Ų100141.7 Ų141.783%0.82682%0.82SS**  trans30.9125.7145.500000121.2
263V36.1Very low39.2Very low145 Ų145141.2 Ų141.288%0.87982%0.816SS**  trans-132.8133.2159.7177.60000109.7
264Q46.7Very low39Very low179 Ų179138.2 Ų138.284%0.83682%0.821SS**  trans-102.7155.9168.9-71-171.5-2000111.1
265P50.6Low38.5Very low118 Ų118136.6 Ų136.677%0.76682%0.815SS**  trans-97.7165.5159.231.8-21.1000113
266P50.1Low38.2Very low135 Ų135134.4 Ų134.488%0.87781%0.813SS**  trans-101.7178.1-143.938.9-38.6000117.3
267R37.8Very low38.2Very low232 Ų232133.6 Ų133.688%0.87581%0.812SS**  trans-128.2142-176.7-178-170.2-169.2-160.25.9111.5
268A38.4Very low38Very low91 Ų91134.1 Ų134.175%0.75282%0.815SS**  trans-168.616015900000110.8
269P46.4Very low38Very low131 Ų131129.3 Ų129.385%0.85181%0.808SS**  cis-125.6-174.5-27.734.6-16.5000113
270S37Very low38.1Very low96 Ų96129.7 Ų129.767%0.67181%0.811SS**  trans-117.5152.9-169.1-42.90000114
271Q35.9Very low38.2Very low181 Ų181129 Ų12985%0.84681%0.806SS**  trans-150115.1148.9-68-162.81000107.1
272T33.2Very low38.3Very low122 Ų122129.4 Ų129.475%0.74881%0.81SS**  60.3124.479.963.10000112.6
273S34.4Very low38.2Very low112 Ų112132.2 Ų132.278%0.78381%0.81SS**  cis-161.5172.523.6-66.40000114.5
274A31.1Very low38.1Very low111 Ų111133.9 Ų133.992%0.91781%0.808SS**  trans83.4150.2147.100000120.3
275A33.4Very low37.5Very low92 Ų92130.7 Ų130.776%0.7681%0.805SS**  trans-118.4164.1-166.100000112.5
276S33Very low37.6Very low120 Ų120131.1 Ų131.184%0.83981%0.808SS**  trans-172.3165.2140.2-88.60000113.9
277H36.1Very low36.8Very low171 Ų171132.7 Ų132.779%0.79281%0.809SS**  trans-83.4150-170.3-54.6-106.8000114.4
278N31.4Very low36.4Very low155 Ų155125 Ų12583%0.82980%0.802SS**  163.2129.5128.8-88.6-12.7000109.4
279A33.1Very low36Very low89 Ų89127.7 Ų127.774%0.73681%0.809SS**  82.1122.159.600000113
280S40.6Very low35.2Very low120 Ų120126 Ų12684%0.83981%0.806SS**PPolyproline II helixtrans-70.6156.9-175-40.50000113.5
281P47.7Very low35.1Very low117 Ų117127.8 Ų127.876%0.7681%0.813SS**PPolyproline II helixtrans-102124.6160.133.9-25.6000111.9
282A34.4Very low35.8Very low100 Ų100124.8 Ų124.883%0.82681%0.809SS**PPolyproline II helixtrans-100.5144.3148.400000107.5
283I35.7Very low35.8Very low160 Ų160125.8 Ų125.882%0.82181%0.81SS**  trans-128139174.6-69.2-175000109.8
284Q32.7Very low35.5Very low180 Ų180127.5 Ų127.584%0.84181%0.81SS**  trans-100.6167.4-174.5-62.1173.1-0.700111.7
285S35.4Very low35.7Very low112 Ų112127 Ų12778%0.78380%0.796SS**  trans-64.6174.4172.2-42.80000113.9
286P51.3Low35.7Very low127 Ų127131.2 Ų131.283%0.82580%0.8SS**  trans-129.4173.8131.933.3-22.2000115.1
287N33.5Very low35.8Very low168 Ų168136.6 Ų136.690%0.89880%0.802SS**  trans-78.9158.9-164.5-72.6-29.7000117.4
288G28.8Very low35.6Very low71 Ų71137.5 Ų137.573%0.73281%0.806SS**  trans-100.8-150.8175.200000116.7
289T30Very low35.6Very low146 Ų146134.6 Ų134.690%0.89680%0.804SS**  trans-157.8144.8175.1-19.20000114.3
290A29.9Very low35.5Very low96 Ų96138.8 Ų138.879%0.79381%0.813SS**  trans67.1133.5150.100000122.9
291V35.1Very low35.2Very low133 Ų133138 Ų13881%0.80681%0.807SS**  trans-112.7170.2169.1-151.50000108
292P51.1Low34.4Very low119 Ų119137.1 Ų137.177%0.77380%0.804SS**  -149.714988.535.3-15.6000117.9
293N32.3Very low34.3Very low142 Ų142141.7 Ų141.776%0.75981%0.805SS**  trans38.7130.1147.5-78.9-6.5000123.1
294N29.3Very low34.2Very low148 Ų148143 Ų14379%0.79181%0.808SS**  -161.6108.790.4-158.219.6000114.7
295T34.4Very low33.9Very low100 Ų100138.4 Ų138.461%0.61381%0.809SS**  24120.9128.8-27.30000121.8
296Q34.6Very low33.9Very low182 Ų182138.7 Ų138.785%0.8581%0.811SS**  -163.1138109.1-106.6179.91.100112.8
297R33.9Very low33Very low233 Ų233137.5 Ų137.588%0.87981%0.806SS**  trans-118.3148.2173-74.4178.1171.1179.7-3108.4
298H33.3Very low33.1Very low189 Ų189134.9 Ų134.988%0.87580%0.8SS**  trans-141.8128.6147.7-88.5-77.2000111
299A30.8Very low33.5Very low94 Ų94143 Ų14378%0.77781%0.809SS**  trans-156.4126.1167.900000108.8
300L31.4Very low33.7Very low178 Ų178145.3 Ų145.393%0.93281%0.807SS**  trans-175.9152.5164.7-83.3-176000106.4
301S32.8Very low33.8Very low102 Ų102146.2 Ų146.271%0.71380%0.802SS**  cis-168.5142-31.5-165.20000110.1
302S31.7Very low33.7Very low100 Ų100146.2 Ų146.270%0.69980%0.802SS**  trans38130.1148-159.40000123.9
303K32.5Very low33.1Very low195 Ų195146.3 Ų146.385%0.84880%0.801SS**  -166.4108.1128.1-103.7171.1-176.8-177.20109.1
304Q32.9Very low33.1Very low188 Ų188147.1 Ų147.188%0.87981%0.805SS**  57.3121.698-82.3-171.1-11.400116.4
305G27.3Very low33.2Very low84 Ų84143 Ų14387%0.86680%0.798SS**  trans175.286.717300000113.2
306S34.9Very low33.3Very low118 Ų118145.1 Ų145.183%0.82581%0.811SS**  trans-84.7141.8177.5550000113
307S31.7Very low33.4Very low102 Ų102141.1 Ų141.171%0.71380%0.803SS**  -175.2131.8122.2-1460000113
308S36.5Very low33.4Very low112 Ų112136.1 Ų136.178%0.78380%0.803SS**  trans-81.3139.9160.1-47.40000109.7
309R36.9Very low33.3Very low243 Ų243130.5 Ų130.592%0.91780%0.797SS**  trans-155.1146.1148-124.7173.1-84.1-163.4-1.8112.9
310K34Very low33.6Very low194 Ų194130.7 Ų130.784%0.84380%0.798SS**  trans-111.4175.9-175.6-178.7-174.2-178.2-178.50107.5
311V32.7Very low33.8Very low114 Ų114127.4 Ų127.469%0.69179%0.79SS**  trans116.9111.5147.5178.20000118.3
312T31.5Very low34.1Very low133 Ų133130.7 Ų130.782%0.81679%0.792SS**  trans71.6141.7146.149.90000126.7
313V39.8Very low34.3Very low122 Ų122133.7 Ų133.774%0.73980%0.795SS**  trans-84.1146161-163.20000110.2
314N32.3Very low34.4Very low158 Ų158132.1 Ų132.185%0.84579%0.79SS**  167.2122.8128.9-88.8-6.4000114.5
315G31.1Very low34.8Very low63 Ų63126.4 Ų126.465%0.64978%0.776SS**  71.7131.7113.100000123.2
316T36.8Very low35.3Very low144 Ų144133.8 Ų133.888%0.88378%0.777SS**  trans69.5147.4144.439.90000119.3
317S35.6Very low35.2Very low97 Ų97132.1 Ų132.168%0.67878%0.779SS**  cis-174.4157-3480000114.4
318S35.8Very low35.4Very low128 Ų128131.1 Ų131.190%0.89579%0.785SS**  trans74.4141.7140.2-640000124.9
319G30.3Very low35.5Very low72 Ų72132.3 Ų132.374%0.74278%0.782SS**  trans129.789.1161.300000113.9
320A37.3Very low35.8Very low97 Ų97129.4 Ų129.480%0.80278%0.776SS**  70.5134.366.300000112.9
321S36.2Very low36.4Very low110 Ų110126.1 Ų126.177%0.76978%0.777SS**  cis-166.8177.726.6-53.10000114.5
322K37.6Very low36.6Very low171 Ų171124.7 Ų124.774%0.74379%0.786SS**  trans83.9115.1156.8-63.3-159.6115.7172.30119.3
323E36.7Very low37.4Very low162 Ų162122.9 Ų122.976%0.75779%0.785SS**  79.8141.279.1-80.4173.676.400112.7
324E35.2Very low38.5Very low162 Ų162122.7 Ų122.776%0.75779%0.786SS**  cis-134.2-175.46.3-106.1-149.1104.100108.7
325A39.8Very low39.9Very low69 Ų69119.9 Ų119.957%0.5778%0.776SS**  cis178.1-179.2-38.100000110.3
326R38.1Very low41.1Very low239 Ų239122.8 Ų122.890%0.90278%0.782SS**  trans68.7137.7175.6-49.9176.9-177.2-174.2-0.6115.6
327G32.9Very low41.8Very low83 Ų83126.5 Ų126.586%0.85680%0.804SS**  cis152.8148.8-500000110.6
328G35.8Very low42.1Very low81 Ų81128 Ų12884%0.83581%0.811SS**  trans141.276.8168.100000119.1
329D39.4Very low42.4Very low136 Ų136128 Ų12873%0.72781%0.806SS**  trans-16.7130.7150.4-161.4-140.2000119
330K42.4Very low43.1Very low182 Ų182131.1 Ų131.179%0.79181%0.81SS**  171.9141.2104.3-91.4-165.7177.4-179.30116.8
331S46.7Very low43.4Very low125 Ų125133.1 Ų133.187%0.87481%0.81SS**  trans-79.4152169.1-50.90000113.1
332G37.8Very low43.9Very low84 Ų84134.6 Ų134.687%0.86681%0.813SS**  trans-164.6114.6171.300000114.2
333A46.9Very low44.3Very low96 Ų96132.1 Ų132.179%0.79382%0.817SS**  trans-140.4171.6162.100000106.2
334P63.3Low44.8Very low117 Ų117130 Ų13076%0.7682%0.822SS**  cis-129.2-140.44.642.6-21.8000109.1
335P62.6Low45.6Very low100 Ų100127.5 Ų127.565%0.64983%0.827SS**  cis-134171.7-19.237.2-18.1000116.6
336T55Low46.1Very low124 Ų124132.4 Ų132.476%0.76185%0.848SS**  trans42.5116.3147.3550000121
337T51.9Low46.8Very low222 Ų222122.7 Ų122.7100%1.36284%0.843SS**  -156.1097.45.70000110.7

Retrieved 337 of 337 residues in 56 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).