A0A096M654_POEFO Loading...

LARGE xylosyl- and glucuronyltransferase 1

AlphaFold DB , UniProt , Accession A0A096M654, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 498 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M53.6Low80.8Confident220 Ų22060.8 Ų60.8100%1.08435%0.348SS*.  0122.80-125.3176.9-149.100107.4
2L60.6Low82.1Confident116 Ų11655.8 Ų55.861%0.60732%0.319SS*.  trans-71-28.9-174.3-83.4154.2000113.5L43L2-L43 HydrophobicContact CB-CD2 4.45Å
3C66.4Low83.2Confident7 Ų756.5 Ų56.55%0.04732%0.318CS..  trans-106.9135.6176.7-55.80000110.3Q7 L45C3-Q7 HydrophobicContact CB-CB 4.01Å; C3-L45 HydrophobicContact CB-CD1 3.69Å
4S68Low84Confident88 Ų8852.9 Ų52.962%0.61530%0.297SS*.  trans-118.8154.1176.267.60000111.1Q6 Q7S4-Q6 PolarHBondContact O-N 2.66Å; S4-Q7 VanDerWaalsContact N-OE1 3.08Å; S4-Q7 PolarHBondContact O-OE1 2.78Å
5G78.6Confident84.5Confident63 Ų6350.1 Ų50.165%0.64928%0.281SS*.THydrogen-bonded Turntrans65.2-130176.400000114.2R48G5-R48 PolarHBondContact O-NH1 3.06Å
6Q83.8Confident84.8Confident136 Ų13648.9 Ų48.964%0.63628%0.277SS*.THydrogen-bonded Turntrans-87.42.2-173.5-66.5179.3-17.600114.5S4 V8 F89S4-Q6 PolarHBondContact O-N 2.66Å; Q6-V8 WeakPolarHBondContact O-CG1 3.27Å; Q6-F89 HydrophobicContact CB-CD2 4.09Å
7Q93.3Very high85.2Confident37 Ų3749.4 Ų49.417%0.17328%0.279CS..  trans-64.7137.4179-68.5169-22.800111C3 S4 R48 L90C3-Q7 HydrophobicContact CB-CB 4.01Å; S4-Q7 VanDerWaalsContact N-OE1 3.08Å; S4-Q7 PolarHBondContact O-OE1 2.78Å; Q7-R48 WeakPolarHBondContact O-CD 3.34Å; Q7-R48 PolarHBondContact O-NH1 3.04Å; Q7-L90 WeakPolarHBondContact CA-O 3.4Å
8V95Very high85.4Confident2 Ų250.1 Ų50.11%0.01228%0.276CS..  trans-131.7-17.4-179.3-53.90000113.3Q6 L45 R48 L49 V52 L90Q6-V8 WeakPolarHBondContact O-CG1 3.27Å; V8-L45 PolarHBondContact O-N 3.42Å; V8-R48 HydrophobicContact CB-CB 4.26Å; V8-R48 HydrophobicContact CG1-CB 3.51Å; V8-L49 HydrophobicContact CB-CD2 3.95Å; V8-L49 HydrophobicContact CB-CG 4.2Å; V8-L49 HydrophobicContact CG2-CD2 3.59Å; V8-L49 HydrophobicContact CG2-CG 4.38Å; V8-V52 HydrophobicContact CG1-CG1 4.48Å; V8-V52 HydrophobicContact CG1-CG2 4.48Å; V8-L90 HydrophobicContact CG1-CD2 4.41Å; V8-L90 HydrophobicContact CG2-CB 4.05Å; V8-L90 HydrophobicContact CG2-CD2 3.93Å; V8-L90 HydrophobicContact CG2-CG 4.42Å; V8-L90 PolarHBondContact N-O 3.01Å
9L95.8Very high85.8Confident0 Ų048.2 Ų48.20%027%0.265CS..EExtended strand (participates in β ladder)trans-121.6138.2176.6-56.5176.1000110.2L11 I42 L43 L44 L49 W54 F80 I84 L90 V91 Y92L9-L11 HydrophobicContact CB-CD1 4.29Å; L9-L11 HydrophobicContact CD1-CD1 4.35Å; L9-I42 HydrophobicContact CD2-CG2 4.38Å; L9-L43 CarbonylContact C-O 3.22Å; L9-L43 WeakPolarHBondContact CA-O 3.43Å; L9-L44 HydrophobicContact CD2-CD2 3.26Å; L9-L49 HydrophobicContact CD2-CD1 4.42Å; L9-L49 HydrophobicContact CD2-CD2 3.99Å; L9-W54 HydrophobicContact CD1-CH2 3.83Å; L9-W54 HydrophobicContact CD1-CZ3 4.02Å; L9-F80 HydrophobicContact CD1-CD1 3.99Å; L9-F80 HydrophobicContact CD1-CE1 4.16Å; L9-F80 HydrophobicContact CD2-CE1 4.19Å; L9-I84 HydrophobicContact CD1-CD1 4.19Å; L9-I84 HydrophobicContact CD1-CG1 4.25Å; L9-L90 PolarHBondContact N-O 3.36Å; L9-V91 CarbonylContact O-C 3.27Å; L9-V91 WeakPolarHBondContact O-CA 3.42Å; L9-Y92 PolarHBondContact O-N 3Å
10G96.5Very high86Confident0 Ų049.2 Ų49.20%027%0.269CS..EExtended strand (participates in β ladder)trans-114.1121.1164.100000110.2L43 Y92 L94G10-L43 PolarHBondContact N-O 3.26Å; G10-L43 PolarHBondContact O-N 3.32Å; G10-Y92 VanDerWaalsContact CA-O 3.3Å; G10-Y92 WeakPolarHBondContact CA-O 3.31Å; G10-L94 VanDerWaalsContact C-CD1 3.45Å; G10-L94 WeakPolarHBondContact O-CD1 3.44Å
11L97.3Very high85.8Confident0 Ų047.8 Ų47.80%027%0.266CS..EExtended strand (participates in β ladder)trans-140.6151-173.7-73161000111.5L9 F37 N38 I42 I84 V91 Y92 Q93 L94L9-L11 HydrophobicContact CB-CD1 4.29Å; L9-L11 HydrophobicContact CD1-CD1 4.35Å; L11-F37 HydrophobicContact CB-CB 3.86Å; L11-F37 HydrophobicContact CB-CD1 3.6Å; L11-F37 HydrophobicContact CB-CE1 4.48Å; L11-F37 HydrophobicContact CB-CG 3.97Å; L11-F37 HydrophobicContact CD1-CB 3.95Å; L11-F37 HydrophobicContact CD1-CG 4.31Å; L11-F37 HydrophobicContact CG-CB 4.38Å; L11-N38 WeakPolarHBondContact CD2-O 3.19Å; L11-I42 HydrophobicContact CD2-CB 3.97Å; L11-I42 HydrophobicContact CD2-CD1 4.14Å; L11-I42 HydrophobicContact CD2-CG1 3.62Å; L11-I42 HydrophobicContact CD2-CG2 3.66Å; L11-I42 HydrophobicContact CG-CG2 4.06Å; L11-I84 HydrophobicContact CD1-CD1 3.48Å; L11-I84 VanDerWaalsContact CD1-CD1 3.48Å; L11-V91 HydrophobicContact CB-CG2 4.16Å; L11-V91 HydrophobicContact CD1-CG2 4.17Å; L11-Y92 PolarHBondContact N-O 3.19Å; L11-Q93 WeakPolarHBondContact O-CA 3.46Å; L11-L94 PolarHBondContact O-N 3.14Å
12V96.7Very high86.9Confident1 Ų143.7 Ų43.71%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-92.7134.9171.7173.80000109.6F37 N38 L94 P95 C96 W98 N99V12-F37 WeakPolarHBondContact O-CA 3.46Å; V12-N38 PolarHBondContact O-N 2.94Å; V12-L94 HydrophobicContact CG2-CB 3.65Å; V12-P95 WeakPolarHBondContact CG2-O 3.18Å; V12-C96 HydrophobicContact CG1-CB 3.81Å; V12-W98 HydrophobicContact CG2-CB 4.21Å; V12-N99 HydrophobicContact CB-CB 3.73Å; V12-N99 HydrophobicContact CG1-CB 4.16Å; V12-N99 HydrophobicContact CG2-CB 3.61Å
13E96.2Very high87.4Confident64 Ų6441.3 Ų41.330%0.29924%0.236SC..EExtended strand (participates in β ladder)trans-57.3144.1174.2-168.4-175.8-148.200110.7Q15 R35 G36 Q101E13-Q15 PolarHBondContact O-N 3.38Å; E13-R35 HydrophobicContact CG-CB 3.93Å; E13-R35 PolarHBondContact OE1-N 2.98Å; E13-G36 CarbonylContact C-O 3.51Å; E13-G36 WeakPolarHBondContact CA-O 3.29Å; E13-G36 VanDerWaalsContact CG-O 3.29Å; E13-G36 WeakPolarHBondContact CG-O 3.48Å; E13-Q101 PolarHBondContact O-NE2 3.1Å
14N94.1Very high87.9Confident6 Ų649.1 Ų49.13%0.03227%0.265CS..PPolyproline II helixtrans-60.1136.1175.4-78.6-49.8000111.1S16 Y19 R35 G36 F37 N38N14-S16 PolarHBondContact O-N 3.27Å; N14-Y19 VanDerWaalsContact ND2-CD2 3.32Å; N14-Y19 WeakPolarHBondContact ND2-CD2 3.47Å; N14-Y19 WeakPolarHBondContact ND2-CE2 2.88Å; N14-R35 HydrophobicContact CB-CB 4.4Å; N14-R35 WeakPolarHBondContact CB-O 3.3Å; N14-R35 PolarHBondContact ND2-O 3.27Å; N14-R35 VanDerWaalsContact ND2-O 3.13Å; N14-G36 PolarHBondContact N-O 3.07Å; N14-G36 VanDerWaalsContact ND2-C 3.31Å; N14-F37 PolarHBondContact ND2-N 2.98Å; N14-F37 PolarHBondContact ND2-O 3.31Å; N14-N38 WeakPolarHBondContact OD1-CA 3.34Å; N14-N38 VanDerWaalsContact OD1-CB 3.3Å; N14-N38 WeakPolarHBondContact OD1-CB 2.99Å; N14-N38 PolarHBondContact OD1-N 3.41Å
15Q92.6Very high87.9Confident11 Ų1154.3 Ų54.35%0.05128%0.276CS..SBendtrans-89.321.6177.6-64.6172.1-1.200112.1E13 N99 Q101 T106 R107 C111E13-Q15 PolarHBondContact O-N 3.38Å; Q15-N99 PolarHBondContact NE2-O 3.3Å; Q15-Q101 HydrophobicContact CB-CB 4.33Å; Q15-T106 WeakPolarHBondContact CB-OG1 3.47Å; Q15-T106 CarbonylContact O-C 3.58Å; Q15-T106 WeakPolarHBondContact O-CA 3.48Å; Q15-R107 WeakPolarHBondContact O-CG 3.46Å; Q15-R107 PolarHBondContact O-N 3.03Å; Q15-C111 PolarHBondContact NE2-SG 3.22Å
16S89Confident87.8Confident31 Ų3158.8 Ų58.822%0.21729%0.285CS..SBendtrans-131.3172.6176.976.10000111.1N14 W18 R35N14-S16 PolarHBondContact O-N 3.27Å; S16-W18 PolarHBondContact OG-N 2.75Å; S16-R35 PolarHBondContact O-NH1 3.35Å
17D90.4Very high87.8Confident58 Ų5854.1 Ų54.131%0.3126%0.263SS..SBendtrans-93.715.2176.4-70.8-32.8000113.3Y19 L20 L23 R35D17-Y19 VanDerWaalsContact C-N 3.33Å; D17-Y19 PolarHBondContact O-N 3.3Å; D17-L20 HydrophobicContact CB-CB 4.49Å; D17-L20 HydrophobicContact CB-CD1 4.28Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-L20 VanDerWaalsContact OD1-CD1 3.28Å; D17-L20 WeakPolarHBondContact OD1-CD1 3.47Å; D17-L23 HydrophobicContact CB-CD2 4.41Å; D17-L23 HydrophobicContact CB-CG 4.46Å; D17-R35 IonicContact OD1-CZ 2.86Å; D17-R35 IonicContact OD1-NE 3.91Å; D17-R35 IonicContact OD1-NH1 2.59Å; D17-R35 PolarHBondContact OD1-NH1 2.65Å; D17-R35 IonicContact OD1-NH2 2.71Å; D17-R35 PolarHBondContact OD1-NH2 3.3Å
18W89.8Confident87.5Confident62 Ų6260.5 Ų60.524%0.23529%0.286CS..G310 helixtrans-49.2-48.7-172.7-179.7-93.7000114.5S16 L23 H27 L74S16-W18 PolarHBondContact OG-N 2.75Å; W18-L23 HydrophobicContact CB-CD1 4.29Å; W18-L23 HydrophobicContact CE3-CD1 3.86Å; W18-H27 AromaticContact CE2-CE1 3.83Å; W18-H27 AromaticContact CH2-CE1 3.84Å; W18-H27 AromaticContact CZ2-CE1 3.67Å; W18-H27 PolarHBondContact O-NE2 2.74Å; W18-L74 HydrophobicContact CD2-CD1 3.99Å; W18-L74 HydrophobicContact CG-CD1 3.96Å; W18-L74 HydrophobicContact CZ2-CD1 4.2Å; W18-L74 HydrophobicContact CZ2-CD2 4.22Å; W18-L74 HydrophobicContact CZ2-CG 3.94Å; W18-L74 VanDerWaalsContact NE1-CD1 3.26Å
19Y92.5Very high87.3Confident14 Ų1461.8 Ų61.86%0.05529%0.294CS..G310 helixtrans-85.7-4.4-177.5-68.9-79.6000114.3N14 D17 G21 P29 W30 A32 R35 Q77 D78 N81N14-Y19 VanDerWaalsContact ND2-CD2 3.32Å; N14-Y19 WeakPolarHBondContact ND2-CD2 3.47Å; N14-Y19 WeakPolarHBondContact ND2-CE2 2.88Å; D17-Y19 VanDerWaalsContact C-N 3.33Å; D17-Y19 PolarHBondContact O-N 3.3Å; Y19-G21 VanDerWaalsContact C-N 3.3Å; Y19-P29 HydrophobicContact CD1-CB 4.19Å; Y19-P29 WeakPolarHBondContact O-CG 3.47Å; Y19-W30 WeakPolarHBondContact CD1-O 3.44Å; Y19-W30 HydrophobicContact CE1-CB 4.24Å; Y19-A32 HydrophobicContact CD1-CB 3.5Å; Y19-A32 HydrophobicContact CD2-CB 4.43Å; Y19-A32 HydrophobicContact CE1-CB 4.24Å; Y19-A32 HydrophobicContact CG-CB 3.62Å; Y19-R35 WeakPolarHBondContact CD2-O 3.36Å; Y19-Q77 PolarHBondContact OH-NE2 2.95Å; Y19-D78 VanDerWaalsContact CE1-OD1 3.31Å; Y19-D78 WeakPolarHBondContact CE1-OD1 3.46Å; Y19-D78 PolarHBondContact OH-OD1 3.47Å; Y19-N81 HydrophobicContact CE1-CB 4.27Å
20L90.7Very high87.2Confident67 Ų6762 Ų6235%0.35130%0.295SS..G310 helixtrans-81-10.8176-61.4-174.7000112.9D17 N22 G34 R35D17-L20 HydrophobicContact CB-CB 4.49Å; D17-L20 HydrophobicContact CB-CD1 4.28Å; D17-L20 PolarHBondContact O-N 2.9Å; D17-L20 VanDerWaalsContact OD1-CD1 3.28Å; D17-L20 WeakPolarHBondContact OD1-CD1 3.47Å; L20-N22 PolarHBondContact O-N 3.3Å; L20-N22 PolarHBondContact O-OD1 3.45Å; L20-G34 WeakPolarHBondContact CD2-O 3.37Å; L20-R35 HydrophobicContact CD1-CG 4.07Å; L20-R35 HydrophobicContact CD2-CG 4.28Å; L20-R35 HydrophobicContact CG-CG 4.15Å
21G80.6Confident87.2Confident20 Ų2063.8 Ų63.821%0.20631%0.307CS..THydrogen-bonded Turntrans781176.800000115.1Y19Y19-G21 VanDerWaalsContact C-N 3.3Å
22N76.4Confident87.1Confident135 Ų13564.5 Ų64.572%0.72231%0.312SS*.  trans-96.95.2-169.6-62.2-20.6000114.4L20L20-N22 PolarHBondContact O-N 3.3Å; L20-N22 PolarHBondContact O-OD1 3.45Å
23L71.1Confident87.1Confident65 Ų6567.4 Ų67.434%0.3433%0.328SS..SBendtrans-75.6-40.6-173.8-76.7168.3000113.6D17 W18D17-L23 HydrophobicContact CB-CD2 4.41Å; D17-L23 HydrophobicContact CB-CG 4.46Å; W18-L23 HydrophobicContact CB-CD1 4.29Å; W18-L23 HydrophobicContact CE3-CD1 3.86Å
24W76.8Confident87Confident172 Ų17266.5 Ų66.565%0.65234%0.335SS*.SBendtrans-147153.7-174.5-32.190.2000111N26 H27W24-N26 PolarHBondContact O-N 3.07Å; W24-H27 HydrophobicContact CB-CB 4.32Å; W24-H27 WeakPolarHBondContact O-CB 3.42Å; W24-H27 PolarHBondContact O-N 2.97Å; W24-H27 VanDerWaalsContact O-N 3.12Å
25K69.2Low87Confident197 Ų19768.2 Ų68.286%0.85734%0.341SS*.THydrogen-bonded Turntrans-61.9122.6173.8-164.6174-178179.80108.9
26N76.8Confident87.1Confident156 Ų15667.7 Ų67.783%0.83434%0.339SS*.THydrogen-bonded Turntrans77.211.2-176.6-45.7-32.1000116.5W24 R28W24-N26 PolarHBondContact O-N 3.07Å; N26-R28 PolarHBondContact O-N 3.37Å
27H82.5Confident87.5Confident38 Ų3866.5 Ų66.518%0.17633%0.33CS..  trans-70.2115.9170.7-178.256.9000110.5W18 W24 P29W18-H27 AromaticContact CE2-CE1 3.83Å; W18-H27 AromaticContact CH2-CE1 3.84Å; W18-H27 AromaticContact CZ2-CE1 3.67Å; W18-H27 PolarHBondContact O-NE2 2.74Å; W24-H27 HydrophobicContact CB-CB 4.32Å; W24-H27 WeakPolarHBondContact O-CB 3.42Å; W24-H27 PolarHBondContact O-N 2.97Å; W24-H27 VanDerWaalsContact O-N 3.12Å; H27-P29 WeakPolarHBondContact O-CD 3.15Å
28R87.3Confident87.8Confident172 Ų17264 Ų6465%0.64932%0.316SS*.  trans-111.299.6175-171.6178.4179.8-176.8-2.3108.6N26 M69N26-R28 PolarHBondContact O-N 3.37Å; R28-M69 HydrophobicContact CG-CE 4.37Å; R28-M69 HydrophobicContact CG-SD 4.43Å; R28-M69 WeakPolarHBondContact O-CE 3.39Å
29P90.9Very high88.1Confident29 Ų2962 Ų6219%0.18831%0.311CS..PPolyproline II helixtrans-72.4157.5179.630.1-34.3000111.2Y19 H27Y19-P29 HydrophobicContact CD1-CB 4.19Å; Y19-P29 WeakPolarHBondContact O-CG 3.47Å; H27-P29 WeakPolarHBondContact O-CD 3.15Å
30W94.5Very high88.2Confident3 Ų363.5 Ų63.51%0.01133%0.331CS..PPolyproline II helixtrans-61.1155.8165.6-86.766.4000111.5Y19 A32 E65 L66 M69 S71 T72 D78 I79 A82Y19-W30 WeakPolarHBondContact CD1-O 3.44Å; Y19-W30 HydrophobicContact CE1-CB 4.24Å; W30-A32 PolarHBondContact O-N 3.18Å; W30-E65 HydrophobicContact CE3-CB 3.9Å; W30-E65 HydrophobicContact CE3-CG 4.3Å; W30-E65 HydrophobicContact CH2-CB 3.74Å; W30-E65 HydrophobicContact CZ3-CB 3.34Å; W30-E65 HydrophobicContact CZ3-CG 4.01Å; W30-L66 HydrophobicContact CH2-CD2 3.98Å; W30-L66 HydrophobicContact CH2-CG 3.97Å; W30-L66 HydrophobicContact CZ2-CD2 3.86Å; W30-L66 HydrophobicContact CZ2-CG 4.34Å; W30-M69 VanDerWaalsContact CD1-CE 3.48Å; W30-M69 HydrophobicContact CD2-CG 4.4Å; W30-M69 HydrophobicContact CG-CE 4.04Å; W30-M69 HydrophobicContact CZ2-CB 3.94Å; W30-M69 HydrophobicContact CZ2-CG 4.48Å; W30-S71 WeakPolarHBondContact CZ2-O 3.38Å; W30-S71 PolarHBondContact NE1-O 3.01Å; W30-T72 HydrophobicContact CH2-CG2 3.85Å; W30-T72 HydrophobicContact CZ2-CG2 3.62Å; W30-D78 HydrophobicContact CB-CB 3.8Å; W30-D78 HydrophobicContact CD2-CB 3.63Å; W30-D78 HydrophobicContact CE3-CB 3.86Å; W30-D78 HydrophobicContact CG-CB 3.58Å; W30-I79 HydrophobicContact CZ3-CG1 4.44Å; W30-A82 HydrophobicContact CE3-CB 4.29Å
31P95.3Very high88.4Confident38 Ų3862.1 Ų62.125%0.24733%0.325CS..PPolyproline II helixtrans-59131.8179.6-22.832.9000112E65 N81 A82 K85P31-E65 HydrophobicContact CG-CG 4.35Å; P31-E65 VanDerWaalsContact CG-OE2 3.32Å; P31-E65 WeakPolarHBondContact CG-OE2 3.38Å; P31-N81 CarbonylContact O-C 3.59Å; P31-A82 HydrophobicContact CB-CB 4.43Å; P31-A82 VanDerWaalsContact O-CA 3.29Å; P31-A82 WeakPolarHBondContact O-CA 3.33Å; P31-A82 PolarHBondContact O-N 3.32Å; P31-A82 VanDerWaalsContact O-N 3.14Å; P31-K85 HydrophobicContact CB-CB 4.48Å; P31-K85 HydrophobicContact CB-CG 4.26Å
32A96.4Very high89.1Confident15 Ų1563.5 Ų63.512%0.12433%0.327CS..  trans-148.9161.1176.500000112.2Y19 W30 N81 K85Y19-A32 HydrophobicContact CD1-CB 3.5Å; Y19-A32 HydrophobicContact CD2-CB 4.43Å; Y19-A32 HydrophobicContact CE1-CB 4.24Å; Y19-A32 HydrophobicContact CG-CB 3.62Å; W30-A32 PolarHBondContact O-N 3.18Å; A32-N81 HydrophobicContact CB-CB 3.87Å; A32-K85 VanDerWaalsContact O-CD 3.31Å; A32-K85 WeakPolarHBondContact O-CD 3.16Å; A32-K85 WeakPolarHBondContact O-CE 3.34Å; A32-K85 PolarHBondContact O-NZ 2.74Å
33L95.4Very high90Very high63 Ų6360.2 Ų60.233%0.3331%0.309SS..SBendtrans-88.6121170.6-175.368.6000109.6R35 G36 F37 I84 P88L33-R35 PolarHBondContact O-N 2.65Å; L33-G36 WeakPolarHBondContact O-CA 3.48Å; L33-G36 PolarHBondContact O-N 3.23Å; L33-F37 HydrophobicContact CB-CE2 4.46Å; L33-F37 HydrophobicContact CD2-CE2 4.37Å; L33-I84 HydrophobicContact CB-CG2 4.47Å; L33-P88 HydrophobicContact CD2-CB 4.25Å
34G94Very high91.2Very high44 Ų4460.7 Ų60.745%0.45431%0.312SS..THydrogen-bonded Turntrans58.8-127.6-179.500000111.8L20 G36L20-G34 WeakPolarHBondContact CD2-O 3.37Å; G34-G36 PolarHBondContact O-N 2.88Å
35R94.3Very high92Very high42 Ų4254.6 Ų54.616%0.15829%0.292CS..THydrogen-bonded Turntrans-78.30.9173.6-68.3166.2177.7-89.5-20.1113.3E13 N14 S16 D17 Y19 L20 L33 R107E13-R35 HydrophobicContact CG-CB 3.93Å; E13-R35 PolarHBondContact OE1-N 2.98Å; N14-R35 HydrophobicContact CB-CB 4.4Å; N14-R35 WeakPolarHBondContact CB-O 3.3Å; N14-R35 PolarHBondContact ND2-O 3.27Å; N14-R35 VanDerWaalsContact ND2-O 3.13Å; S16-R35 PolarHBondContact O-NH1 3.35Å; D17-R35 IonicContact OD1-CZ 2.86Å; D17-R35 IonicContact OD1-NE 3.91Å; D17-R35 IonicContact OD1-NH1 2.59Å; D17-R35 PolarHBondContact OD1-NH1 2.65Å; D17-R35 IonicContact OD1-NH2 2.71Å; D17-R35 PolarHBondContact OD1-NH2 3.3Å; Y19-R35 WeakPolarHBondContact CD2-O 3.36Å; L20-R35 HydrophobicContact CD1-CG 4.07Å; L20-R35 HydrophobicContact CD2-CG 4.28Å; L20-R35 HydrophobicContact CG-CG 4.15Å; L33-R35 PolarHBondContact O-N 2.65Å; R35-R107 VanDerWaalsContact NH2-NH1 3.2Å
36G96.1Very high93.3Very high0 Ų049.6 Ų49.60%027%0.274CS..  trans69.2-179-168.800000112.3E13 N14 L33 G34 N81E13-G36 CarbonylContact C-O 3.51Å; E13-G36 WeakPolarHBondContact CA-O 3.29Å; E13-G36 VanDerWaalsContact CG-O 3.29Å; E13-G36 WeakPolarHBondContact CG-O 3.48Å; N14-G36 PolarHBondContact N-O 3.07Å; N14-G36 VanDerWaalsContact ND2-C 3.31Å; L33-G36 WeakPolarHBondContact O-CA 3.48Å; L33-G36 PolarHBondContact O-N 3.23Å; G34-G36 PolarHBondContact O-N 2.88Å; G36-N81 WeakPolarHBondContact CA-OD1 3.27Å
37F97.3Very high94.1Very high7 Ų746 Ų463%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-117.5145.5-176.9-66.5-87.8000110.8L11 V12 N14 L33 Q77 N81 I84 V91 Q93L11-F37 HydrophobicContact CB-CB 3.86Å; L11-F37 HydrophobicContact CB-CD1 3.6Å; L11-F37 HydrophobicContact CB-CE1 4.48Å; L11-F37 HydrophobicContact CB-CG 3.97Å; L11-F37 HydrophobicContact CD1-CB 3.95Å; L11-F37 HydrophobicContact CD1-CG 4.31Å; L11-F37 HydrophobicContact CG-CB 4.38Å; V12-F37 WeakPolarHBondContact O-CA 3.46Å; N14-F37 PolarHBondContact ND2-N 2.98Å; N14-F37 PolarHBondContact ND2-O 3.31Å; L33-F37 HydrophobicContact CB-CE2 4.46Å; L33-F37 HydrophobicContact CD2-CE2 4.37Å; F37-Q77 WeakPolarHBondContact O-CG 3.24Å; F37-N81 PolarHBondContact N-OD1 3.38Å; F37-N81 PolarHBondContact O-ND2 3.04Å; F37-I84 HydrophobicContact CD2-CD1 4.06Å; F37-I84 HydrophobicContact CD2-CG2 4.09Å; F37-I84 HydrophobicContact CE2-CG2 3.82Å; F37-V91 HydrophobicContact CD1-CG2 4.32Å; F37-V91 HydrophobicContact CE1-CG2 4.01Å; F37-V91 HydrophobicContact CE2-CG1 4.09Å; F37-V91 HydrophobicContact CE2-CG2 4.34Å; F37-V91 HydrophobicContact CZ-CG1 3.95Å; F37-V91 HydrophobicContact CZ-CG2 4.03Å; F37-Q93 HydrophobicContact CE1-CB 4.22Å; F37-Q93 HydrophobicContact CE1-CG 4.13Å
38N96.6Very high94.6Very high5 Ų547 Ų473%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-86129.5175.9-176.4-99.8000110.5L11 V12 N14 G40 Q77 N99 Q101 H122L11-N38 WeakPolarHBondContact CD2-O 3.19Å; V12-N38 PolarHBondContact O-N 2.94Å; N14-N38 WeakPolarHBondContact OD1-CA 3.34Å; N14-N38 VanDerWaalsContact OD1-CB 3.3Å; N14-N38 WeakPolarHBondContact OD1-CB 2.99Å; N14-N38 PolarHBondContact OD1-N 3.41Å; N38-G40 PolarHBondContact OD1-N 3.11Å; N38-Q77 PolarHBondContact ND2-OE1 3.41Å; N38-N99 PolarHBondContact OD1-ND2 2.74Å; N38-Q101 HydrophobicContact CB-CG 4.25Å; N38-H122 PolarHBondContact OD1-CE1 3.13Å; N38-H122 VanDerWaalsContact OD1-CE1 3.28Å; N38-H122 PolarHBondContact OD1-ND1 3.21Å; N38-H122 VanDerWaalsContact OD1-ND1 3.16Å
39T95.9Very high94.9Very high20 Ų2039.4 Ų39.412%0.12323%0.229CC..EExtended strand (participates in β ladder)trans-89.75.4-177.849.60000114.8V41 I42 D76 Q77 F80T39-V41 VanDerWaalsContact C-N 3.28Å; T39-V41 PolarHBondContact O-N 3.07Å; T39-I42 HydrophobicContact CG2-CD1 4.02Å; T39-I42 WeakPolarHBondContact O-CD1 3.35Å; T39-I42 VanDerWaalsContact O-CG1 3.31Å; T39-I42 WeakPolarHBondContact O-CG1 3.24Å; T39-D76 WeakPolarHBondContact CB-OD2 3.25Å; T39-D76 PolarHBondContact OG1-OD2 3.35Å; T39-Q77 HydrophobicContact CG2-CB 4.19Å; T39-Q77 HydrophobicContact CG2-CG 3.95Å; T39-Q77 VanDerWaalsContact OG1-CB 3.32Å; T39-Q77 WeakPolarHBondContact OG1-CB 3.38Å; T39-Q77 WeakPolarHBondContact OG1-CG 3.38Å; T39-F80 HydrophobicContact CG2-CB 3.72Å; T39-F80 HydrophobicContact CG2-CD1 4.47Å; T39-F80 HydrophobicContact CG2-CD2 3.71Å; T39-F80 HydrophobicContact CG2-CE2 4.45Å; T39-F80 HydrophobicContact CG2-CG 3.72Å
40G93.8Very high95.1Very high45 Ų4546.9 Ų46.946%0.46425%0.253SS..EExtended strand (participates in β ladder)trans-71.4-20.2179.200000115.3N38 H122N38-G40 PolarHBondContact OD1-N 3.11Å; G40-H122 VanDerWaalsContact CA-CE1 3.45Å; G40-H122 WeakPolarHBondContact CA-CE1 3.47Å
41V95.8Very high95.1Very high39 Ų3954.5 Ų54.524%0.23629%0.287CS..EExtended strand (participates in β ladder)trans-138.3116.6173.2-176.90000107.8T39 N99 V120T39-V41 VanDerWaalsContact C-N 3.28Å; T39-V41 PolarHBondContact O-N 3.07Å; V41-N99 HydrophobicContact CB-CB 4.06Å; V41-N99 HydrophobicContact CG2-CB 4Å; V41-V120 HydrophobicContact CG2-CB 4.42Å; V41-V120 HydrophobicContact CG2-CG1 3.82Å
42I95.9Very high95Very high49 Ų4955.1 Ų55.125%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-130.8125.8-177.4-38.7-173.8000109.9L9 L11 T39 L44 F80L9-I42 HydrophobicContact CD2-CG2 4.38Å; L11-I42 HydrophobicContact CD2-CB 3.97Å; L11-I42 HydrophobicContact CD2-CD1 4.14Å; L11-I42 HydrophobicContact CD2-CG1 3.62Å; L11-I42 HydrophobicContact CD2-CG2 3.66Å; L11-I42 HydrophobicContact CG-CG2 4.06Å; T39-I42 HydrophobicContact CG2-CD1 4.02Å; T39-I42 WeakPolarHBondContact O-CD1 3.35Å; T39-I42 VanDerWaalsContact O-CG1 3.31Å; T39-I42 WeakPolarHBondContact O-CG1 3.24Å; I42-L44 HydrophobicContact CB-CD2 4.28Å; I42-L44 HydrophobicContact CB-CG 4.33Å; I42-L44 HydrophobicContact CG2-CD2 3.41Å; I42-L44 VanDerWaalsContact CG2-CD2 3.41Å; I42-L44 HydrophobicContact CG2-CG 3.91Å; I42-F80 HydrophobicContact CD1-CE1 4.14Å; I42-F80 HydrophobicContact CD1-CE2 4.3Å; I42-F80 HydrophobicContact CD1-CZ 3.96Å
43L95.3Very high95Very high66 Ų6662.7 Ų62.735%0.34632%0.315SS..EExtended strand (participates in β ladder)trans-85.6117.2164.7178.565.4000108.7L2 L9 G10 L94L2-L43 HydrophobicContact CB-CD2 4.45Å; L9-L43 CarbonylContact C-O 3.22Å; L9-L43 WeakPolarHBondContact CA-O 3.43Å; G10-L43 PolarHBondContact N-O 3.26Å; G10-L43 PolarHBondContact O-N 3.32Å; L43-L94 HydrophobicContact CB-CD1 4.5Å
44L95.1Very high95Very high74 Ų7461.3 Ų61.339%0.38731%0.306SS..EExtended strand (participates in β ladder)trans-112.3121.9-176.5-64178.2000111.4L9 I42 L46 L49L9-L44 HydrophobicContact CD2-CD2 3.26Å; I42-L44 HydrophobicContact CB-CD2 4.28Å; I42-L44 HydrophobicContact CB-CG 4.33Å; I42-L44 HydrophobicContact CG2-CD2 3.41Å; I42-L44 VanDerWaalsContact CG2-CD2 3.41Å; I42-L44 HydrophobicContact CG2-CG 3.91Å; L44-L46 HydrophobicContact CB-CD2 3.97Å; L44-L46 HydrophobicContact CD1-CD2 4.46Å; L44-L46 PolarHBondContact O-N 2.95Å; L44-L49 HydrophobicContact CB-CD1 3.99Å; L44-L49 HydrophobicContact CD2-CD1 3.87Å; L44-L49 HydrophobicContact CG-CD1 4.41Å
45L94.7Very high95.1Very high44 Ų4464.3 Ų64.323%0.2331%0.308CS..  trans-89.686.7169.2-65-177.8000110.1C3 V8 D47 R48 L49C3-L45 HydrophobicContact CB-CD1 3.69Å; V8-L45 PolarHBondContact O-N 3.42Å; L45-D47 VanDerWaalsContact C-N 3.31Å; L45-D47 PolarHBondContact O-N 3.19Å; L45-R48 HydrophobicContact CB-CB 4.24Å; L45-R48 HydrophobicContact CB-CG 4.28Å; L45-R48 PolarHBondContact O-N 3Å; L45-R48 VanDerWaalsContact O-N 3.11Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.03Å
46L94.8Very high95.2Very high93 Ų9367 Ų6749%0.48732%0.322SS..Hα-helixtrans-59.4-37.6-170-60.8-179000113.6L44 R48 L49 R50L44-L46 HydrophobicContact CB-CD2 3.97Å; L44-L46 HydrophobicContact CD1-CD2 4.46Å; L44-L46 PolarHBondContact O-N 2.95Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-R48 PolarHBondContact O-N 3.22Å; L46-L49 HydrophobicContact CD2-CD1 4.3Å; L46-R50 VanDerWaalsContact O-CG 3.29Å; L46-R50 WeakPolarHBondContact O-CG 3.13Å; L46-R50 PolarHBondContact O-N 3.48Å
47D93.4Very high95.2Very high80 Ų8069.2 Ų69.243%0.42833%0.333SS..Hα-helixtrans-62.5-41.8177.369.2-48.9000111.6L45 K51L45-D47 VanDerWaalsContact C-N 3.31Å; L45-D47 PolarHBondContact O-N 3.19Å; D47-K51 WeakPolarHBondContact O-CG 3.31Å; D47-K51 PolarHBondContact O-N 3.06Å
48R93Very high95.2Very high58 Ų5872.8 Ų72.822%0.21935%0.346CS..Hα-helixtrans-76.5-40.1179.2-58.8-175-177.3-167.6-8.4112.1G5 Q7 V8 L45 L46 R50 K51 V52G5-R48 PolarHBondContact O-NH1 3.06Å; Q7-R48 WeakPolarHBondContact O-CD 3.34Å; Q7-R48 PolarHBondContact O-NH1 3.04Å; V8-R48 HydrophobicContact CB-CB 4.26Å; V8-R48 HydrophobicContact CG1-CB 3.51Å; L45-R48 HydrophobicContact CB-CB 4.24Å; L45-R48 HydrophobicContact CB-CG 4.28Å; L45-R48 PolarHBondContact O-N 3Å; L45-R48 VanDerWaalsContact O-N 3.11Å; L46-R48 VanDerWaalsContact C-N 3.34Å; L46-R48 PolarHBondContact O-N 3.22Å; R48-R50 PolarHBondContact O-N 3.43Å; R48-K51 WeakPolarHBondContact O-CB 3.33Å; R48-K51 PolarHBondContact O-N 3.43Å; R48-V52 WeakPolarHBondContact O-CG2 3.41Å; R48-V52 PolarHBondContact O-N 3.36Å
49L94.4Very high95.2Very high13 Ų1377.9 Ų77.97%0.06837%0.365CS..Hα-helixtrans-55.1-40.8175.1-76.5170.4000111.8V8 L9 L44 L45 L46 V52 R53 W54V8-L49 HydrophobicContact CB-CD2 3.95Å; V8-L49 HydrophobicContact CB-CG 4.2Å; V8-L49 HydrophobicContact CG2-CD2 3.59Å; V8-L49 HydrophobicContact CG2-CG 4.38Å; L9-L49 HydrophobicContact CD2-CD1 4.42Å; L9-L49 HydrophobicContact CD2-CD2 3.99Å; L44-L49 HydrophobicContact CB-CD1 3.99Å; L44-L49 HydrophobicContact CD2-CD1 3.87Å; L44-L49 HydrophobicContact CG-CD1 4.41Å; L45-L49 WeakPolarHBondContact O-CG 3.34Å; L45-L49 PolarHBondContact O-N 3.03Å; L46-L49 HydrophobicContact CD2-CD1 4.3Å; L49-V52 WeakPolarHBondContact O-CG2 3.27Å; L49-R53 PolarHBondContact O-N 3.43Å; L49-W54 HydrophobicContact CB-CB 4.06Å; L49-W54 HydrophobicContact CD2-CB 3.77Å; L49-W54 HydrophobicContact CD2-CD2 3.74Å; L49-W54 HydrophobicContact CD2-CE3 3.9Å; L49-W54 HydrophobicContact CD2-CG 3.67Å; L49-W54 WeakPolarHBondContact O-CB 3.34Å; L49-W54 PolarHBondContact O-N 3.2Å
50R95.2Very high95.3Very high186 Ų18681 Ų8170%0.70238%0.381SS*.Hα-helixtrans-64.2-45.2173.9-69170-169138.30.3111.7L46 R48 V52 R53L46-R50 VanDerWaalsContact O-CG 3.29Å; L46-R50 WeakPolarHBondContact O-CG 3.13Å; L46-R50 PolarHBondContact O-N 3.48Å; R48-R50 PolarHBondContact O-N 3.43Å; R50-V52 VanDerWaalsContact C-N 3.34Å; R50-V52 PolarHBondContact O-N 3.02Å; R50-R53 PolarHBondContact O-N 3.31Å; R50-R53 VanDerWaalsContact O-N 3.13Å
51K94.2Very high95.5Very high163 Ų16379 Ų7971%0.70936%0.36SS*.Hα-helixtrans-61.8-38.3178.8-71.9173.1-177.8172.80112.9D47 R48 R53D47-K51 WeakPolarHBondContact O-CG 3.31Å; D47-K51 PolarHBondContact O-N 3.06Å; R48-K51 WeakPolarHBondContact O-CB 3.33Å; R48-K51 PolarHBondContact O-N 3.43Å; K51-R53 PolarHBondContact O-N 2.93Å
52V93.6Very high95.5Very high52 Ų5277.6 Ų77.632%0.31535%0.352SS..THydrogen-bonded Turntrans-85.36.7178.4-550000113.5V8 R48 L49 R50 W54V8-V52 HydrophobicContact CG1-CG1 4.48Å; V8-V52 HydrophobicContact CG1-CG2 4.48Å; R48-V52 WeakPolarHBondContact O-CG2 3.41Å; R48-V52 PolarHBondContact O-N 3.36Å; L49-V52 WeakPolarHBondContact O-CG2 3.27Å; R50-V52 VanDerWaalsContact C-N 3.34Å; R50-V52 PolarHBondContact O-N 3.02Å; V52-W54 VanDerWaalsContact C-N 3.32Å; V52-W54 PolarHBondContact O-N 3.37Å
53R95.8Very high95.5Very high173 Ų17380.9 Ų80.965%0.65337%0.366SS*.THydrogen-bonded Turntrans51.449.3-178.3-58.1-176.2179.2179.60.1112.5L49 R50 K51 E55 Q56 M57L49-R53 PolarHBondContact O-N 3.43Å; R50-R53 PolarHBondContact O-N 3.31Å; R50-R53 VanDerWaalsContact O-N 3.13Å; K51-R53 PolarHBondContact O-N 2.93Å; R53-E55 PolarHBondContact O-N 2.84Å; R53-E55 VanDerWaalsContact O-N 3.12Å; R53-Q56 HydrophobicContact CB-CB 4.27Å; R53-Q56 PolarHBondContact O-N 3.35Å; R53-M57 PolarHBondContact O-N 2.97Å
54W95.6Very high95.5Very high35 Ų3584.5 Ų84.513%0.13338%0.375CS..Hα-helixtrans-47.1-43.9-178.5174.2-107.5000113.1L9 L49 V52 Q56 M57 W58 F80 V83L9-W54 HydrophobicContact CD1-CH2 3.83Å; L9-W54 HydrophobicContact CD1-CZ3 4.02Å; L49-W54 HydrophobicContact CB-CB 4.06Å; L49-W54 HydrophobicContact CD2-CB 3.77Å; L49-W54 HydrophobicContact CD2-CD2 3.74Å; L49-W54 HydrophobicContact CD2-CE3 3.9Å; L49-W54 HydrophobicContact CD2-CG 3.67Å; L49-W54 WeakPolarHBondContact O-CB 3.34Å; L49-W54 PolarHBondContact O-N 3.2Å; V52-W54 VanDerWaalsContact C-N 3.32Å; V52-W54 PolarHBondContact O-N 3.37Å; W54-Q56 VanDerWaalsContact C-N 3.34Å; W54-Q56 PolarHBondContact O-N 2.82Å; W54-M57 HydrophobicContact CE3-SD 4.34Å; W54-M57 HydrophobicContact CZ3-SD 4.45Å; W54-M57 WeakPolarHBondContact O-CB 3.32Å; W54-M57 PolarHBondContact O-N 3.22Å; W54-M57 VanDerWaalsContact O-N 3.13Å; W54-W58 AromaticContact CD1-CD1 3.69Å; W54-W58 AromaticContact CE2-CD1 3.94Å; W54-W58 HydrophobicContact CZ2-CB 4.24Å; W54-W58 AromaticContact NE1-CD1 3.47Å; W54-W58 PolarHBondContact O-N 3.08Å; W54-F80 AromaticContact CH2-CD1 3.85Å; W54-F80 HydrophobicContact CH2-CD1 3.85Å; W54-F80 AromaticContact CH2-CE1 3.97Å; W54-F80 HydrophobicContact CH2-CE1 3.97Å; W54-F80 AromaticContact CZ2-CD1 3.66Å; W54-F80 HydrophobicContact CZ2-CD1 3.66Å; W54-F80 AromaticContact CZ2-CE1 3.39Å; W54-F80 HydrophobicContact CZ2-CE1 3.39Å; W54-F80 HydrophobicContact CZ2-CG 4.4Å; W54-F80 AromaticContact CZ2-CZ 3.92Å; W54-F80 HydrophobicContact CZ2-CZ 3.92Å; W54-V83 HydrophobicContact CE3-CG1 4.38Å; W54-V83 HydrophobicContact CH2-CB 4.04Å; W54-V83 HydrophobicContact CH2-CG1 3.76Å; W54-V83 HydrophobicContact CH2-CG2 4.33Å; W54-V83 HydrophobicContact CZ3-CB 4.22Å; W54-V83 HydrophobicContact CZ3-CG1 3.42Å; W54-V83 VanDerWaalsContact CZ3-CG1 3.42Å
55E96.1Very high95.5Very high106 Ų10682.3 Ų82.350%0.49536%0.363SS..Hα-helixtrans-55.2-46.9179.1-174.1-176.1166.400112.9R53 R59R53-E55 PolarHBondContact O-N 2.84Å; R53-E55 VanDerWaalsContact O-N 3.12Å; E55-R59 WeakPolarHBondContact O-CB 3.32Å; E55-R59 VanDerWaalsContact O-CG 3.31Å; E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 2.99Å; E55-R59 IonicContact OE1-CZ 2.74Å; E55-R59 IonicContact OE1-NH1 3.18Å; E55-R59 PolarHBondContact OE1-NH1 3.48Å; E55-R59 IonicContact OE1-NH2 3.54Å; E55-R59 PolarHBondContact OE1-NH2 3Å
56Q97.4Very high95.6Very high100 Ų10083.5 Ų83.547%0.46737%0.369SS..Hα-helixtrans-68.3-41.6177.9-173.5178.712.600110.8R53 W54 R59 L60R53-Q56 HydrophobicContact CB-CB 4.27Å; R53-Q56 PolarHBondContact O-N 3.35Å; W54-Q56 VanDerWaalsContact C-N 3.34Å; W54-Q56 PolarHBondContact O-N 2.82Å; Q56-R59 PolarHBondContact O-N 3.4Å; Q56-L60 HydrophobicContact CG-CD1 3.87Å; Q56-L60 HydrophobicContact CG-CG 4.37Å; Q56-L60 WeakPolarHBondContact O-CB 3.49Å; Q56-L60 VanDerWaalsContact O-CG 3.28Å; Q56-L60 WeakPolarHBondContact O-CG 3.4Å; Q56-L60 PolarHBondContact O-N 2.98Å
57M96.4Very high95.5Very high45 Ų4586.9 Ų86.922%0.22238%0.384CS..Hα-helixtrans-61.4-48.9-177.7-175.1-177.2-66.900112.4R53 W54 T61 V83 L90R53-M57 PolarHBondContact O-N 2.97Å; W54-M57 HydrophobicContact CE3-SD 4.34Å; W54-M57 HydrophobicContact CZ3-SD 4.45Å; W54-M57 WeakPolarHBondContact O-CB 3.32Å; W54-M57 PolarHBondContact O-N 3.22Å; W54-M57 VanDerWaalsContact O-N 3.13Å; M57-T61 WeakPolarHBondContact O-CB 3.36Å; M57-T61 PolarHBondContact O-N 3.33Å; M57-T61 VanDerWaalsContact O-N 3.13Å; M57-T61 PolarHBondContact O-OG1 3.11Å; M57-V83 HydrophobicContact CG-CG1 3.91Å; M57-V83 HydrophobicContact SD-CG1 3.61Å; M57-L90 HydrophobicContact CE-CD1 4.23Å; M57-L90 HydrophobicContact SD-CD1 3.63Å
58W96.3Very high95.4Very high82 Ų8286 Ų8631%0.31138%0.384SS..Hα-helixtrans-71.6-36-179.177.4-108.9000111.8W54 T61 A62 I79 V83W54-W58 AromaticContact CD1-CD1 3.69Å; W54-W58 AromaticContact CE2-CD1 3.94Å; W54-W58 HydrophobicContact CZ2-CB 4.24Å; W54-W58 AromaticContact NE1-CD1 3.47Å; W54-W58 PolarHBondContact O-N 3.08Å; W58-T61 PolarHBondContact O-N 3.34Å; W58-A62 HydrophobicContact CE3-CB 4.36Å; W58-A62 WeakPolarHBondContact O-CB 3.36Å; W58-A62 PolarHBondContact O-N 3.32Å; W58-I79 HydrophobicContact CB-CG2 3.97Å; W58-I79 HydrophobicContact CE3-CG2 4.06Å; W58-V83 HydrophobicContact CB-CG2 3.91Å
59R97.6Very high95.2Very high113 Ų11384.7 Ų84.743%0.42638%0.381SS..Hα-helixtrans-60.8-51.7176.4-80.3-176.1-176.6151.46.9112E55 Q56 T61 A62 E63E55-R59 WeakPolarHBondContact O-CB 3.32Å; E55-R59 VanDerWaalsContact O-CG 3.31Å; E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 2.99Å; E55-R59 IonicContact OE1-CZ 2.74Å; E55-R59 IonicContact OE1-NH1 3.18Å; E55-R59 PolarHBondContact OE1-NH1 3.48Å; E55-R59 IonicContact OE1-NH2 3.54Å; E55-R59 PolarHBondContact OE1-NH2 3Å; Q56-R59 PolarHBondContact O-N 3.4Å; R59-T61 PolarHBondContact O-N 2.96Å; R59-A62 PolarHBondContact O-N 3.03Å; R59-A62 VanDerWaalsContact O-N 3.17Å; R59-E63 WeakPolarHBondContact O-CB 3.35Å; R59-E63 WeakPolarHBondContact O-CG 3.41Å; R59-E63 PolarHBondContact O-N 2.87Å
60L97.4Very high95Very high86 Ų8691.3 Ų91.345%0.4542%0.416SS..Hα-helixtrans-61.5-35.4178.5-69.7174.7000112.1Q56 R64Q56-L60 HydrophobicContact CG-CD1 3.87Å; Q56-L60 HydrophobicContact CG-CG 4.37Å; Q56-L60 WeakPolarHBondContact O-CB 3.49Å; Q56-L60 VanDerWaalsContact O-CG 3.28Å; Q56-L60 WeakPolarHBondContact O-CG 3.4Å; Q56-L60 PolarHBondContact O-N 2.98Å; L60-R64 WeakPolarHBondContact O-CB 3.46Å; L60-R64 PolarHBondContact O-N 2.93Å; L60-R64 VanDerWaalsContact O-N 3.16Å
61T96.9Very high94.9Very high3 Ų386 Ų862%0.01841%0.407CS..Hα-helixtrans-67.7-47.9175.3-58.20000110.8M57 W58 R59 R64 E65 A82 V83M57-T61 WeakPolarHBondContact O-CB 3.36Å; M57-T61 PolarHBondContact O-N 3.33Å; M57-T61 VanDerWaalsContact O-N 3.13Å; M57-T61 PolarHBondContact O-OG1 3.11Å; W58-T61 PolarHBondContact O-N 3.34Å; R59-T61 PolarHBondContact O-N 2.96Å; T61-R64 PolarHBondContact O-N 3.04Å; T61-E65 HydrophobicContact CG2-CG 4.33Å; T61-E65 WeakPolarHBondContact O-CG 3.24Å; T61-E65 PolarHBondContact O-N 2.52Å; T61-A82 HydrophobicContact CG2-CB 3.68Å; T61-V83 HydrophobicContact CG2-CG2 3.83Å
62A96.5Very high94.8Very high8 Ų880.6 Ų80.67%0.06639%0.388CS..Hα-helixtrans-60.4-48.4178.900000111.7W58 R59 R64 E65 L66 I79W58-A62 HydrophobicContact CE3-CB 4.36Å; W58-A62 WeakPolarHBondContact O-CB 3.36Å; W58-A62 PolarHBondContact O-N 3.32Å; R59-A62 PolarHBondContact O-N 3.03Å; R59-A62 VanDerWaalsContact O-N 3.17Å; A62-R64 VanDerWaalsContact C-N 3.32Å; A62-R64 PolarHBondContact O-N 3.35Å; A62-E65 PolarHBondContact O-N 3.33Å; A62-L66 VanDerWaalsContact O-CB 3.26Å; A62-L66 WeakPolarHBondContact O-CB 3.44Å; A62-L66 WeakPolarHBondContact O-CD1 3.37Å; A62-L66 WeakPolarHBondContact O-CG 3.44Å; A62-L66 PolarHBondContact O-N 3.38Å; A62-I79 HydrophobicContact CB-CD1 3.97Å; A62-I79 HydrophobicContact CB-CG1 4.09Å; A62-I79 HydrophobicContact CB-CG2 4.24Å
63E96.3Very high94.7Very high119 Ų11981.1 Ų81.156%0.55639%0.394SS*.Hα-helixtrans-55.6-46.2176.4-73.5170.5179.900111.5R59 M67R59-E63 WeakPolarHBondContact O-CB 3.35Å; R59-E63 WeakPolarHBondContact O-CG 3.41Å; R59-E63 PolarHBondContact O-N 2.87Å; E63-M67 WeakPolarHBondContact O-CG 3.39Å; E63-M67 PolarHBondContact O-N 3.11Å
64R95.8Very high94.6Very high141 Ų14175.9 Ų75.953%0.53238%0.379SS..Hα-helixtrans-63.2-49.7179.3-173.9-169.9-57155.66.3112.5L60 T61 A62 M67L60-R64 WeakPolarHBondContact O-CB 3.46Å; L60-R64 PolarHBondContact O-N 2.93Å; L60-R64 VanDerWaalsContact O-N 3.16Å; T61-R64 PolarHBondContact O-N 3.04Å; A62-R64 VanDerWaalsContact C-N 3.32Å; A62-R64 PolarHBondContact O-N 3.35Å; R64-M67 WeakPolarHBondContact O-CB 3.36Å; R64-M67 PolarHBondContact O-N 2.74Å
65E95.4Very high94.5Very high29 Ų2976.8 Ų76.814%0.13639%0.393CS..Hα-helixtrans-69.5-35.7-176.5-62.8-53.6150.200111.5W30 P31 T61 A62 M67 S68 M69 A82 Q86W30-E65 HydrophobicContact CE3-CB 3.9Å; W30-E65 HydrophobicContact CE3-CG 4.3Å; W30-E65 HydrophobicContact CH2-CB 3.74Å; W30-E65 HydrophobicContact CZ3-CB 3.34Å; W30-E65 HydrophobicContact CZ3-CG 4.01Å; P31-E65 HydrophobicContact CG-CG 4.35Å; P31-E65 VanDerWaalsContact CG-OE2 3.32Å; P31-E65 WeakPolarHBondContact CG-OE2 3.38Å; T61-E65 HydrophobicContact CG2-CG 4.33Å; T61-E65 WeakPolarHBondContact O-CG 3.24Å; T61-E65 PolarHBondContact O-N 2.52Å; A62-E65 PolarHBondContact O-N 3.33Å; E65-M67 PolarHBondContact O-N 2.94Å; E65-S68 PolarHBondContact O-N 3.42Å; E65-S68 PolarHBondContact O-OG 2.97Å; E65-S68 VanDerWaalsContact O-OG 3.06Å; E65-M69 WeakPolarHBondContact O-CB 3.36Å; E65-M69 PolarHBondContact O-N 3.24Å; E65-A82 HydrophobicContact CG-CB 4.16Å; E65-Q86 PolarHBondContact OE1-NE2 2.86Å
66L95.4Very high94.4Very high69 Ų6975.6 Ų75.636%0.36139%0.39SS..Hα-helixtrans-61.4-29.1177.3-76.9169.8000113.3W30 A62 S68 L70W30-L66 HydrophobicContact CH2-CD2 3.98Å; W30-L66 HydrophobicContact CH2-CG 3.97Å; W30-L66 HydrophobicContact CZ2-CD2 3.86Å; W30-L66 HydrophobicContact CZ2-CG 4.34Å; A62-L66 VanDerWaalsContact O-CB 3.26Å; A62-L66 WeakPolarHBondContact O-CB 3.44Å; A62-L66 WeakPolarHBondContact O-CD1 3.37Å; A62-L66 WeakPolarHBondContact O-CG 3.44Å; A62-L66 PolarHBondContact O-N 3.38Å; L66-S68 PolarHBondContact O-N 3.38Å; L66-S68 VanDerWaalsContact O-N 3.16Å; L66-L70 WeakPolarHBondContact O-CA 3.43Å; L66-L70 PolarHBondContact O-N 3.07Å
67M93.5Very high94.4Very high163 Ų16371.7 Ų71.780%0.80337%0.372SS*.Hα-helixtrans-59.3-26.1173.5-67.6-60.3-66.500112.9E63 R64 E65E63-M67 WeakPolarHBondContact O-CG 3.39Å; E63-M67 PolarHBondContact O-N 3.11Å; R64-M67 WeakPolarHBondContact O-CB 3.36Å; R64-M67 PolarHBondContact O-N 2.74Å; E65-M67 PolarHBondContact O-N 2.94Å
68S90.8Very high94.4Very high61 Ų6169.6 Ų69.643%0.42736%0.362SS..Hα-helixtrans-110.6-31.9-178.174.80000114.1E65 L66E65-S68 PolarHBondContact O-N 3.42Å; E65-S68 PolarHBondContact O-OG 2.97Å; E65-S68 VanDerWaalsContact O-OG 3.06Å; L66-S68 PolarHBondContact O-N 3.38Å; L66-S68 VanDerWaalsContact O-N 3.16Å
69M88.8Confident94.5Very high31 Ų3167 Ų6715%0.15335%0.354CS..Hα-helixtrans-94.2-14.8-174.9-63.1-63.5-71.300112.8R28 W30 E65 S71R28-M69 HydrophobicContact CG-CE 4.37Å; R28-M69 HydrophobicContact CG-SD 4.43Å; R28-M69 WeakPolarHBondContact O-CE 3.39Å; W30-M69 VanDerWaalsContact CD1-CE 3.48Å; W30-M69 HydrophobicContact CD2-CG 4.4Å; W30-M69 HydrophobicContact CG-CE 4.04Å; W30-M69 HydrophobicContact CZ2-CB 3.94Å; W30-M69 HydrophobicContact CZ2-CG 4.48Å; E65-M69 WeakPolarHBondContact O-CB 3.36Å; E65-M69 PolarHBondContact O-N 3.24Å; M69-S71 PolarHBondContact O-N 3.05Å
70L89.7Confident94.5Very high153 Ų15363.2 Ų63.280%0.80134%0.341SS*.SBendtrans64.7-35.4-177.6-55.4171.7000115.4L66L66-L70 WeakPolarHBondContact O-CA 3.43Å; L66-L70 PolarHBondContact O-N 3.07Å
71S92.9Very high94.5Very high73 Ų7359.1 Ų59.151%0.5132%0.319SS..SBendtrans-155.6159.5177.2630000112.2W30 M69W30-S71 WeakPolarHBondContact CZ2-O 3.38Å; W30-S71 PolarHBondContact NE1-O 3.01Å; M69-S71 PolarHBondContact O-N 3.05Å
72T93.3Very high94.5Very high50 Ų5059 Ų5931%0.30732%0.318SS..  trans-75.5141.9168.455.90000110.4W30 D78 I79W30-T72 HydrophobicContact CH2-CG2 3.85Å; W30-T72 HydrophobicContact CZ2-CG2 3.62Å; T72-D78 HydrophobicContact CG2-CB 4.43Å; T72-I79 HydrophobicContact CG2-CD1 4.41Å; T72-I79 HydrophobicContact CG2-CG1 4.27Å
73S91.6Very high94.6Very high64 Ų6458.6 Ų58.645%0.44832%0.315SS..SBendtrans-91.1-34.9172.3-560000112.9D78S73-D78 WeakPolarHBondContact CA-OD2 3.29Å; S73-D78 PolarHBondContact N-OD2 3.37Å
74L92.2Very high94.6Very high63 Ų6353 Ų5333%0.3329%0.289SS..SBendtrans-124.135.1179.4-61.2-178.6000112W18 D76 Q77 D78W18-L74 HydrophobicContact CD2-CD1 3.99Å; W18-L74 HydrophobicContact CG-CD1 3.96Å; W18-L74 HydrophobicContact CZ2-CD1 4.2Å; W18-L74 HydrophobicContact CZ2-CD2 4.22Å; W18-L74 HydrophobicContact CZ2-CG 3.94Å; W18-L74 VanDerWaalsContact NE1-CD1 3.26Å; L74-D76 PolarHBondContact O-N 3.5Å; L74-Q77 HydrophobicContact CB-CB 4.08Å; L74-Q77 VanDerWaalsContact CD1-NE2 3.26Å; L74-Q77 VanDerWaalsContact O-CB 3.32Å; L74-Q77 WeakPolarHBondContact O-CB 3.47Å; L74-Q77 PolarHBondContact O-N 2.87Å; L74-D78 PolarHBondContact N-OD2 2.55Å
75A94.1Very high94.7Very high53 Ų5351 Ų5144%0.43828%0.284SS..THydrogen-bonded Turntrans49-121.8175.100000113.5Q77 D78A75-Q77 VanDerWaalsContact C-N 3.26Å; A75-Q77 PolarHBondContact O-N 3.02Å; A75-D78 PolarHBondContact O-N 3.48Å
76D94.9Very high94.7Very high82 Ų8252.9 Ų52.944%0.43929%0.293SS..Hα-helixtrans-58-36.1-179.660.8-68.1000112.6T39 L74 D78 I79 F80T39-D76 WeakPolarHBondContact CB-OD2 3.25Å; T39-D76 PolarHBondContact OG1-OD2 3.35Å; L74-D76 PolarHBondContact O-N 3.5Å; D76-D78 VanDerWaalsContact C-N 3.25Å; D76-D78 PolarHBondContact O-N 3.26Å; D76-I79 PolarHBondContact O-N 2.6Å; D76-I79 VanDerWaalsContact O-N 3.09Å; D76-F80 HydrophobicContact CB-CD2 4.45Å; D76-F80 WeakPolarHBondContact O-CD2 3.46Å; D76-F80 PolarHBondContact O-N 3.08Å
77Q96.6Very high94.7Very high18 Ų1851.1 Ų51.18%0.08428%0.284CS..Hα-helixtrans-59.9-37.6-176.9-163.1178.6-93.800112.1Y19 F37 N38 T39 L74 A75 N81Y19-Q77 PolarHBondContact OH-NE2 2.95Å; F37-Q77 WeakPolarHBondContact O-CG 3.24Å; N38-Q77 PolarHBondContact ND2-OE1 3.41Å; T39-Q77 HydrophobicContact CG2-CB 4.19Å; T39-Q77 HydrophobicContact CG2-CG 3.95Å; T39-Q77 VanDerWaalsContact OG1-CB 3.32Å; T39-Q77 WeakPolarHBondContact OG1-CB 3.38Å; T39-Q77 WeakPolarHBondContact OG1-CG 3.38Å; L74-Q77 HydrophobicContact CB-CB 4.08Å; L74-Q77 VanDerWaalsContact CD1-NE2 3.26Å; L74-Q77 VanDerWaalsContact O-CB 3.32Å; L74-Q77 WeakPolarHBondContact O-CB 3.47Å; L74-Q77 PolarHBondContact O-N 2.87Å; A75-Q77 VanDerWaalsContact C-N 3.26Å; A75-Q77 PolarHBondContact O-N 3.02Å; Q77-N81 WeakPolarHBondContact O-CB 2.99Å; Q77-N81 PolarHBondContact O-N 3.16Å; Q77-N81 PolarHBondContact O-ND2 2.98Å
78D96.9Very high94.8Very high0 Ų046.3 Ų46.30%026%0.264CS..Hα-helixtrans-66.4-41.7177.7-75-17.3000111.8Y19 W30 T72 S73 L74 A75 D76 N81 A82Y19-D78 VanDerWaalsContact CE1-OD1 3.31Å; Y19-D78 WeakPolarHBondContact CE1-OD1 3.46Å; Y19-D78 PolarHBondContact OH-OD1 3.47Å; W30-D78 HydrophobicContact CB-CB 3.8Å; W30-D78 HydrophobicContact CD2-CB 3.63Å; W30-D78 HydrophobicContact CE3-CB 3.86Å; W30-D78 HydrophobicContact CG-CB 3.58Å; T72-D78 HydrophobicContact CG2-CB 4.43Å; S73-D78 WeakPolarHBondContact CA-OD2 3.29Å; S73-D78 PolarHBondContact N-OD2 3.37Å; L74-D78 PolarHBondContact N-OD2 2.55Å; A75-D78 PolarHBondContact O-N 3.48Å; D76-D78 VanDerWaalsContact C-N 3.25Å; D76-D78 PolarHBondContact O-N 3.26Å; D78-N81 PolarHBondContact O-N 3.45Å; D78-A82 WeakPolarHBondContact O-CB 3.42Å; D78-A82 PolarHBondContact O-N 3.09Å
79I97.3Very high94.9Very high29 Ų2948.4 Ų48.415%0.14927%0.266CS..Hα-helixtrans-66.5-46.6179.2-62.5171.1000110.3W30 W58 A62 T72 D76 N81 A82 V83W30-I79 HydrophobicContact CZ3-CG1 4.44Å; W58-I79 HydrophobicContact CB-CG2 3.97Å; W58-I79 HydrophobicContact CE3-CG2 4.06Å; A62-I79 HydrophobicContact CB-CD1 3.97Å; A62-I79 HydrophobicContact CB-CG1 4.09Å; A62-I79 HydrophobicContact CB-CG2 4.24Å; T72-I79 HydrophobicContact CG2-CD1 4.41Å; T72-I79 HydrophobicContact CG2-CG1 4.27Å; D76-I79 PolarHBondContact O-N 2.6Å; D76-I79 VanDerWaalsContact O-N 3.09Å; I79-N81 VanDerWaalsContact C-N 3.3Å; I79-N81 PolarHBondContact O-N 2.91Å; I79-A82 PolarHBondContact O-N 2.77Å; I79-V83 WeakPolarHBondContact O-CG2 3.15Å; I79-V83 PolarHBondContact O-N 3.47Å
80F97.6Very high95.1Very high33 Ų3347.1 Ų47.115%0.14526%0.26CS..Hα-helixtrans-56.3-46.3175.5-90.5-86000111.4L9 T39 I42 W54 D76 V83 I84L9-F80 HydrophobicContact CD1-CD1 3.99Å; L9-F80 HydrophobicContact CD1-CE1 4.16Å; L9-F80 HydrophobicContact CD2-CE1 4.19Å; T39-F80 HydrophobicContact CG2-CB 3.72Å; T39-F80 HydrophobicContact CG2-CD1 4.47Å; T39-F80 HydrophobicContact CG2-CD2 3.71Å; T39-F80 HydrophobicContact CG2-CE2 4.45Å; T39-F80 HydrophobicContact CG2-CG 3.72Å; I42-F80 HydrophobicContact CD1-CE1 4.14Å; I42-F80 HydrophobicContact CD1-CE2 4.3Å; I42-F80 HydrophobicContact CD1-CZ 3.96Å; W54-F80 AromaticContact CH2-CD1 3.85Å; W54-F80 HydrophobicContact CH2-CD1 3.85Å; W54-F80 AromaticContact CH2-CE1 3.97Å; W54-F80 HydrophobicContact CH2-CE1 3.97Å; W54-F80 AromaticContact CZ2-CD1 3.66Å; W54-F80 HydrophobicContact CZ2-CD1 3.66Å; W54-F80 AromaticContact CZ2-CE1 3.39Å; W54-F80 HydrophobicContact CZ2-CE1 3.39Å; W54-F80 HydrophobicContact CZ2-CG 4.4Å; W54-F80 AromaticContact CZ2-CZ 3.92Å; W54-F80 HydrophobicContact CZ2-CZ 3.92Å; D76-F80 HydrophobicContact CB-CD2 4.45Å; D76-F80 WeakPolarHBondContact O-CD2 3.46Å; D76-F80 PolarHBondContact O-N 3.08Å; F80-V83 PolarHBondContact O-N 2.98Å; F80-I84 WeakPolarHBondContact O-CB 3.45Å; F80-I84 WeakPolarHBondContact O-CD1 3.33Å; F80-I84 WeakPolarHBondContact O-CG1 3.45Å; F80-I84 PolarHBondContact O-N 2.86Å
81N98Very high95.4Very high0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-66.2-38.6179.6-84.5-70.9000113.2Y19 P31 A32 G36 F37 Q77 D78 I79 I84 K85Y19-N81 HydrophobicContact CE1-CB 4.27Å; P31-N81 CarbonylContact O-C 3.59Å; A32-N81 HydrophobicContact CB-CB 3.87Å; G36-N81 WeakPolarHBondContact CA-OD1 3.27Å; F37-N81 PolarHBondContact N-OD1 3.38Å; F37-N81 PolarHBondContact O-ND2 3.04Å; Q77-N81 WeakPolarHBondContact O-CB 2.99Å; Q77-N81 PolarHBondContact O-N 3.16Å; Q77-N81 PolarHBondContact O-ND2 2.98Å; D78-N81 PolarHBondContact O-N 3.45Å; I79-N81 VanDerWaalsContact C-N 3.3Å; I79-N81 PolarHBondContact O-N 2.91Å; N81-I84 PolarHBondContact O-N 3.39Å; N81-K85 WeakPolarHBondContact O-CB 3.38Å; N81-K85 PolarHBondContact O-N 2.95Å
82A97.6Very high95.6Very high0 Ų040.4 Ų40.40%022%0.215CC..Hα-helixtrans-64.3-43.2176.100000111.6W30 P31 T61 E65 D78 I79 K85 Q86W30-A82 HydrophobicContact CE3-CB 4.29Å; P31-A82 HydrophobicContact CB-CB 4.43Å; P31-A82 VanDerWaalsContact O-CA 3.29Å; P31-A82 WeakPolarHBondContact O-CA 3.33Å; P31-A82 PolarHBondContact O-N 3.32Å; P31-A82 VanDerWaalsContact O-N 3.14Å; T61-A82 HydrophobicContact CG2-CB 3.68Å; E65-A82 HydrophobicContact CG-CB 4.16Å; D78-A82 WeakPolarHBondContact O-CB 3.42Å; D78-A82 PolarHBondContact O-N 3.09Å; I79-A82 PolarHBondContact O-N 2.77Å; A82-K85 PolarHBondContact O-N 3.06Å; A82-Q86 WeakPolarHBondContact O-CG 3.37Å; A82-Q86 PolarHBondContact O-N 3.2Å; A82-Q86 VanDerWaalsContact O-N 3.16Å
83V97.5Very high95.7Very high0 Ų043.4 Ų43.40%023%0.225CC..Hα-helixtrans-63-44.9176176.60000111W54 M57 W58 T61 I79 F80 K85 Q86 N87 L90W54-V83 HydrophobicContact CE3-CG1 4.38Å; W54-V83 HydrophobicContact CH2-CB 4.04Å; W54-V83 HydrophobicContact CH2-CG1 3.76Å; W54-V83 HydrophobicContact CH2-CG2 4.33Å; W54-V83 HydrophobicContact CZ3-CB 4.22Å; W54-V83 HydrophobicContact CZ3-CG1 3.42Å; W54-V83 VanDerWaalsContact CZ3-CG1 3.42Å; M57-V83 HydrophobicContact CG-CG1 3.91Å; M57-V83 HydrophobicContact SD-CG1 3.61Å; W58-V83 HydrophobicContact CB-CG2 3.91Å; T61-V83 HydrophobicContact CG2-CG2 3.83Å; I79-V83 WeakPolarHBondContact O-CG2 3.15Å; I79-V83 PolarHBondContact O-N 3.47Å; F80-V83 PolarHBondContact O-N 2.98Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 2.76Å; V83-Q86 PolarHBondContact O-N 3.37Å; V83-N87 PolarHBondContact O-N 3.46Å; V83-N87 PolarHBondContact O-ND2 2.99Å; V83-N87 VanDerWaalsContact O-ND2 3.09Å; V83-L90 HydrophobicContact CG1-CD1 4.49Å
84I97.3Very high95.8Very high0 Ų041.2 Ų41.20%021%0.208CC..Hα-helixtrans-64.5-37.3178.4-69.4164.8000111.2L9 L11 L33 F37 F80 N81 Q86 N87 P88 V91L9-I84 HydrophobicContact CD1-CD1 4.19Å; L9-I84 HydrophobicContact CD1-CG1 4.25Å; L11-I84 HydrophobicContact CD1-CD1 3.48Å; L11-I84 VanDerWaalsContact CD1-CD1 3.48Å; L33-I84 HydrophobicContact CB-CG2 4.47Å; F37-I84 HydrophobicContact CD2-CD1 4.06Å; F37-I84 HydrophobicContact CD2-CG2 4.09Å; F37-I84 HydrophobicContact CE2-CG2 3.82Å; F80-I84 WeakPolarHBondContact O-CB 3.45Å; F80-I84 WeakPolarHBondContact O-CD1 3.33Å; F80-I84 WeakPolarHBondContact O-CG1 3.45Å; F80-I84 PolarHBondContact O-N 2.86Å; N81-I84 PolarHBondContact O-N 3.39Å; I84-Q86 VanDerWaalsContact C-N 3.29Å; I84-Q86 PolarHBondContact O-N 2.74Å; I84-N87 CarbonylContact O-C 3.48Å; I84-N87 PolarHBondContact O-N 3.27Å; I84-P88 VanDerWaalsContact O-CA 3.29Å; I84-P88 WeakPolarHBondContact O-CA 3.48Å; I84-P88 WeakPolarHBondContact O-CD 3.37Å; I84-V91 HydrophobicContact CD1-CB 4.37Å; I84-V91 HydrophobicContact CD1-CG2 4.34Å; I84-V91 HydrophobicContact CG1-CB 4.37Å; I84-V91 HydrophobicContact CG2-CB 4.15Å; I84-V91 HydrophobicContact CG2-CG1 3.65Å
85K96.8Very high95.9Very high100 Ų10040.4 Ų40.444%0.43521%0.207SC..Hα-helixtrans-61.6-39.6175.7-179.853.8166.9-162.30111.8P31 A32 N81 A82 V83P31-K85 HydrophobicContact CB-CB 4.48Å; P31-K85 HydrophobicContact CB-CG 4.26Å; A32-K85 VanDerWaalsContact O-CD 3.31Å; A32-K85 WeakPolarHBondContact O-CD 3.16Å; A32-K85 WeakPolarHBondContact O-CE 3.34Å; A32-K85 PolarHBondContact O-NZ 2.74Å; N81-K85 WeakPolarHBondContact O-CB 3.38Å; N81-K85 PolarHBondContact O-N 2.95Å; A82-K85 PolarHBondContact O-N 3.06Å; V83-K85 VanDerWaalsContact C-N 3.32Å; V83-K85 PolarHBondContact O-N 2.76Å
86Q95.4Very high95.9Very high68 Ų6839.9 Ų39.932%0.31820%0.2SC..Hα-helixtrans-76.2-27.9176.1-65.3-178.724.200112.4E65 A82 V83 I84E65-Q86 PolarHBondContact OE1-NE2 2.86Å; A82-Q86 WeakPolarHBondContact O-CG 3.37Å; A82-Q86 PolarHBondContact O-N 3.2Å; A82-Q86 VanDerWaalsContact O-N 3.16Å; V83-Q86 PolarHBondContact O-N 3.37Å; I84-Q86 VanDerWaalsContact C-N 3.29Å; I84-Q86 PolarHBondContact O-N 2.74Å
87N95.4Very high95.8Very high33 Ų3340.1 Ų40.118%0.17620%0.195CC..  trans-134.168.8-175-53.8-87.8000112.2V83 I84 F89 L90V83-N87 PolarHBondContact O-N 3.46Å; V83-N87 PolarHBondContact O-ND2 2.99Å; V83-N87 VanDerWaalsContact O-ND2 3.09Å; I84-N87 CarbonylContact O-C 3.48Å; I84-N87 PolarHBondContact O-N 3.27Å; N87-F89 HydrophobicContact CB-CE1 4Å; N87-F89 HydrophobicContact CB-CZ 3.93Å; N87-F89 PolarHBondContact O-N 3.28Å; N87-F89 VanDerWaalsContact O-N 3.11Å; N87-L90 HydrophobicContact CB-CD1 3.52Å; N87-L90 HydrophobicContact CB-CG 3.81Å; N87-L90 WeakPolarHBondContact O-CB 3.35Å; N87-L90 PolarHBondContact O-N 3.19Å; N87-L90 VanDerWaalsContact O-N 3.12Å
88P95.2Very high95.7Very high61 Ų6144.5 Ų44.540%0.39621%0.211SC..G310 helixtrans-62.7-24.3-172.1-25.335.7000114.6L33 I84 L90 V91L33-P88 HydrophobicContact CD2-CB 4.25Å; I84-P88 VanDerWaalsContact O-CA 3.29Å; I84-P88 WeakPolarHBondContact O-CA 3.48Å; I84-P88 WeakPolarHBondContact O-CD 3.37Å; P88-L90 PolarHBondContact O-N 3.45Å; P88-V91 WeakPolarHBondContact O-CG1 3.42Å; P88-V91 PolarHBondContact O-N 3.28Å
89F93.4Very high95.6Very high106 Ų10644.5 Ų44.547%0.46521%0.211SC..G310 helixtrans-69-12.6179.156.1-93.3000113.8Q6 N87Q6-F89 HydrophobicContact CB-CD2 4.09Å; N87-F89 HydrophobicContact CB-CE1 4Å; N87-F89 HydrophobicContact CB-CZ 3.93Å; N87-F89 PolarHBondContact O-N 3.28Å; N87-F89 VanDerWaalsContact O-N 3.11Å
90L94.4Very high95.5Very high3 Ų343.1 Ų43.12%0.01620%0.204CC..G310 helixtrans-77.2-22.5178.8-65.9-177.8000113.4Q7 V8 L9 M57 V83 N87 P88Q7-L90 WeakPolarHBondContact CA-O 3.4Å; V8-L90 HydrophobicContact CG1-CD2 4.41Å; V8-L90 HydrophobicContact CG2-CB 4.05Å; V8-L90 HydrophobicContact CG2-CD2 3.93Å; V8-L90 HydrophobicContact CG2-CG 4.42Å; V8-L90 PolarHBondContact N-O 3.01Å; L9-L90 PolarHBondContact N-O 3.36Å; M57-L90 HydrophobicContact CE-CD1 4.23Å; M57-L90 HydrophobicContact SD-CD1 3.63Å; V83-L90 HydrophobicContact CG1-CD1 4.49Å; N87-L90 HydrophobicContact CB-CD1 3.52Å; N87-L90 HydrophobicContact CB-CG 3.81Å; N87-L90 WeakPolarHBondContact O-CB 3.35Å; N87-L90 PolarHBondContact O-N 3.19Å; N87-L90 VanDerWaalsContact O-N 3.12Å; P88-L90 PolarHBondContact O-N 3.45Å
91V95.4Very high95.2Very high15 Ų1541.7 Ų41.79%0.09120%0.198CC..EExtended strand (participates in β ladder)trans-101.1135.1-173.969.30000112L9 L11 F37 I84 P88L9-V91 CarbonylContact O-C 3.27Å; L9-V91 WeakPolarHBondContact O-CA 3.42Å; L11-V91 HydrophobicContact CB-CG2 4.16Å; L11-V91 HydrophobicContact CD1-CG2 4.17Å; F37-V91 HydrophobicContact CD1-CG2 4.32Å; F37-V91 HydrophobicContact CE1-CG2 4.01Å; F37-V91 HydrophobicContact CE2-CG1 4.09Å; F37-V91 HydrophobicContact CE2-CG2 4.34Å; F37-V91 HydrophobicContact CZ-CG1 3.95Å; F37-V91 HydrophobicContact CZ-CG2 4.03Å; I84-V91 HydrophobicContact CD1-CB 4.37Å; I84-V91 HydrophobicContact CD1-CG2 4.34Å; I84-V91 HydrophobicContact CG1-CB 4.37Å; I84-V91 HydrophobicContact CG2-CB 4.15Å; I84-V91 HydrophobicContact CG2-CG1 3.65Å; P88-V91 WeakPolarHBondContact O-CG1 3.42Å; P88-V91 PolarHBondContact O-N 3.28Å
92Y95.7Very high94.9Very high71 Ų7141.7 Ų41.728%0.27820%0.198SC..EExtended strand (participates in β ladder)trans-100.5119.6162.2179.3-103.4000108.2L9 G10 L11 L94L9-Y92 PolarHBondContact O-N 3Å; G10-Y92 VanDerWaalsContact CA-O 3.3Å; G10-Y92 WeakPolarHBondContact CA-O 3.31Å; L11-Y92 PolarHBondContact N-O 3.19Å; Y92-L94 HydrophobicContact CD1-CD2 3.86Å; Y92-L94 HydrophobicContact CD1-CG 4.36Å; Y92-L94 HydrophobicContact CE1-CD2 3.86Å; Y92-L94 PolarHBondContact O-N 2.98Å
93Q95.5Very high94.3Very high113 Ų11342.9 Ų42.953%0.52821%0.206SC..EExtended strand (participates in β ladder)trans-76.4111.3177.9-177.6169.9-10.700109.8L11 F37L11-Q93 WeakPolarHBondContact O-CA 3.46Å; F37-Q93 HydrophobicContact CE1-CB 4.22Å; F37-Q93 HydrophobicContact CE1-CG 4.13Å
94L95Very high93.4Very high17 Ų1745 Ų459%0.08922%0.217CC..  trans-73.2146.1175.3-69.3171.8000110.5G10 L11 V12 L43 Y92G10-L94 VanDerWaalsContact C-CD1 3.45Å; G10-L94 WeakPolarHBondContact O-CD1 3.44Å; L11-L94 PolarHBondContact O-N 3.14Å; V12-L94 HydrophobicContact CG2-CB 3.65Å; L43-L94 HydrophobicContact CB-CD1 4.5Å; Y92-L94 HydrophobicContact CD1-CD2 3.86Å; Y92-L94 HydrophobicContact CD1-CG 4.36Å; Y92-L94 HydrophobicContact CE1-CD2 3.86Å; Y92-L94 PolarHBondContact O-N 2.98Å
95P94Very high92.4Very high46 Ų4652.3 Ų52.330%0.29925%0.251SS..  trans-57142.5168.7-23.733.2000111.7V12 Y97 W98V12-P95 WeakPolarHBondContact CG2-O 3.18Å; P95-Y97 VanDerWaalsContact C-N 3.26Å; P95-Y97 HydrophobicContact CB-CD1 3.92Å; P95-Y97 HydrophobicContact CB-CD2 4.36Å; P95-Y97 HydrophobicContact CB-CE1 3.32Å; P95-Y97 HydrophobicContact CB-CE2 3.85Å; P95-Y97 HydrophobicContact CB-CG 4.4Å; P95-Y97 WeakPolarHBondContact CB-OH 3.45Å; P95-Y97 HydrophobicContact CG-CE1 4.26Å; P95-Y97 HydrophobicContact CG-CE2 4.4Å; P95-Y97 WeakPolarHBondContact CG-OH 3.4Å; P95-Y97 PolarHBondContact O-N 2.84Å; P95-Y97 VanDerWaalsContact O-N 3.14Å; P95-W98 WeakPolarHBondContact O-CB 3.31Å; P95-W98 PolarHBondContact O-N 2.87Å; P95-W98 VanDerWaalsContact O-N 3.1Å
96C93.2Very high91.6Very high43 Ų4348.3 Ų48.329%0.29124%0.235SC..G310 helixtrans-72.6-12.5-165.766.70000116V12 W98 N99 C111V12-C96 HydrophobicContact CG1-CB 3.81Å; C96-W98 PolarHBondContact O-N 2.85Å; C96-N99 CarbonylContact O-C 3.55Å; C96-N99 VanDerWaalsContact O-C 3.27Å; C96-N99 PolarHBondContact O-N 2.78Å; C96-C111 HydrophobicContact CB-CB 3.99Å; C96-C111 WeakPolarHBondContact CB-SG 3.43Å; C96-C111 WeakPolarHBondContact SG-CA 3.02Å; C96-C111 WeakPolarHBondContact SG-CB 3.44Å; C96-C111 CovalentContact SG-SG 2.03Å; C96-C111 PolarHBondContact SG-SG 2.91Å
97Y93.6Very high91.1Very high86 Ų8649.8 Ų49.834%0.33724%0.238SC..G310 helixtrans-70.4-11.817150.7-105.3000114.3P95 N99 D117 K119 V120P95-Y97 VanDerWaalsContact C-N 3.26Å; P95-Y97 HydrophobicContact CB-CD1 3.92Å; P95-Y97 HydrophobicContact CB-CD2 4.36Å; P95-Y97 HydrophobicContact CB-CE1 3.32Å; P95-Y97 HydrophobicContact CB-CE2 3.85Å; P95-Y97 HydrophobicContact CB-CG 4.4Å; P95-Y97 WeakPolarHBondContact CB-OH 3.45Å; P95-Y97 HydrophobicContact CG-CE1 4.26Å; P95-Y97 HydrophobicContact CG-CE2 4.4Å; P95-Y97 WeakPolarHBondContact CG-OH 3.4Å; P95-Y97 PolarHBondContact O-N 2.84Å; P95-Y97 VanDerWaalsContact O-N 3.14Å; Y97-N99 VanDerWaalsContact C-N 3.3Å; Y97-D117 WeakPolarHBondContact CB-O 3.36Å; Y97-K119 HydrophobicContact CD2-CG 3.83Å; Y97-K119 HydrophobicContact CE2-CG 4.4Å; Y97-K119 WeakPolarHBondContact O-CB 3.34Å; Y97-K119 PolarHBondContact O-N 3.44Å; Y97-V120 PolarHBondContact O-N 2.9Å
98W94.4Very high90.6Very high111 Ų11148.3 Ų48.342%0.4223%0.23SC..G310 helixtrans-81-5.9171.1-74.2103.9000114.1V12 P95 C96 K119 V120V12-W98 HydrophobicContact CG2-CB 4.21Å; P95-W98 WeakPolarHBondContact O-CB 3.31Å; P95-W98 PolarHBondContact O-N 2.87Å; P95-W98 VanDerWaalsContact O-N 3.1Å; C96-W98 PolarHBondContact O-N 2.85Å; W98-K119 HydrophobicContact CD2-CB 3.96Å; W98-K119 HydrophobicContact CD2-CG 4.06Å; W98-K119 HydrophobicContact CE3-CB 3.62Å; W98-K119 HydrophobicContact CE3-CG 4.12Å; W98-K119 HydrophobicContact CH2-CB 4.41Å; W98-K119 HydrophobicContact CH2-CG 4.26Å; W98-K119 HydrophobicContact CZ2-CG 4.2Å; W98-K119 HydrophobicContact CZ3-CB 3.88Å; W98-K119 HydrophobicContact CZ3-CG 4.22Å; W98-V120 VanDerWaalsContact O-CB 3.3Å; W98-V120 WeakPolarHBondContact O-CB 3.35Å; W98-V120 WeakPolarHBondContact O-CG2 3.5Å
99N95.4Very high90Very high0 Ų049.2 Ų49.20%023%0.229CC..SBendtrans-162.178.9173.5-175.61.2000108.8V12 Q15 N38 V41 C96 Y97 Q101 H122V12-N99 HydrophobicContact CB-CB 3.73Å; V12-N99 HydrophobicContact CG1-CB 4.16Å; V12-N99 HydrophobicContact CG2-CB 3.61Å; Q15-N99 PolarHBondContact NE2-O 3.3Å; N38-N99 PolarHBondContact OD1-ND2 2.74Å; V41-N99 HydrophobicContact CB-CB 4.06Å; V41-N99 HydrophobicContact CG2-CB 4Å; C96-N99 CarbonylContact O-C 3.55Å; C96-N99 VanDerWaalsContact O-C 3.27Å; C96-N99 PolarHBondContact O-N 2.78Å; Y97-N99 VanDerWaalsContact C-N 3.3Å; N99-Q101 PolarHBondContact O-N 2.91Å; N99-H122 VanDerWaalsContact OD1-CB 3.25Å; N99-H122 WeakPolarHBondContact OD1-CB 3.5Å; N99-H122 PolarHBondContact OD1-ND1 3.46Å; N99-H122 VanDerWaalsContact OD1-ND1 3.09Å
100V93.7Very high89.6Confident0 Ų050.9 Ų50.90%024%0.236CC..EExtended strand (participates in β ladder)trans-79107.2177.3-177.60000108.5L102 C111 Y112 L118 V120 H122 F139V100-L102 HydrophobicContact CG1-CD2 4.34Å; V100-C111 HydrophobicContact CG2-CB 4.44Å; V100-Y112 HydrophobicContact CG1-CD1 4.15Å; V100-Y112 HydrophobicContact CG1-CE1 3.86Å; V100-Y112 HydrophobicContact CG2-CD1 4.5Å; V100-L118 HydrophobicContact CB-CD2 4.4Å; V100-L118 HydrophobicContact CG1-CD2 4.37Å; V100-L118 HydrophobicContact CG2-CD2 3.69Å; V100-V120 PolarHBondContact N-O 3.32Å; V100-H122 PolarHBondContact O-N 3.27Å; V100-F139 HydrophobicContact CG1-CZ 4.48Å
101Q93Very high89.3Confident3 Ų351.4 Ų51.41%0.01424%0.24CC..EExtended strand (participates in β ladder)trans-91.6114.9-167.7-65.4155.242.200110.5E13 Q15 N38 N99 T106E13-Q101 PolarHBondContact O-NE2 3.1Å; Q15-Q101 HydrophobicContact CB-CB 4.33Å; N38-Q101 HydrophobicContact CB-CG 4.25Å; N99-Q101 PolarHBondContact O-N 2.91Å; Q101-T106 WeakPolarHBondContact O-CB 3.2Å; Q101-T106 WeakPolarHBondContact O-CG2 3.37Å; Q101-T106 PolarHBondContact O-OG1 3.22Å
102L90.3Very high88.8Confident0 Ų052 Ų520%024%0.241CC..  trans-99106.9-176.5-58.6-177.1000112.2V100 I121 H122 W123 N124 V131 F139V100-L102 HydrophobicContact CG1-CD2 4.34Å; L102-I121 HydrophobicContact CD1-CG2 3.43Å; L102-I121 VanDerWaalsContact CD1-CG2 3.43Å; L102-I121 HydrophobicContact CG-CG2 4.12Å; L102-H122 PolarHBondContact N-O 3.1Å; L102-W123 HydrophobicContact CB-CD2 4.31Å; L102-W123 HydrophobicContact CB-CE3 3.94Å; L102-W123 HydrophobicContact CB-CZ3 4.4Å; L102-W123 HydrophobicContact CD1-CD2 3.7Å; L102-W123 HydrophobicContact CD1-CE3 3.81Å; L102-W123 HydrophobicContact CD1-CG 4.4Å; L102-W123 HydrophobicContact CD1-CH2 3.91Å; L102-W123 HydrophobicContact CD1-CZ2 3.77Å; L102-W123 HydrophobicContact CD1-CZ3 3.92Å; L102-N124 PolarHBondContact N-OD1 2.66Å; L102-N124 VanDerWaalsContact N-OD1 3.16Å; L102-N124 PolarHBondContact O-OD1 3.03Å; L102-V131 HydrophobicContact CB-CG2 4.35Å; L102-F139 HydrophobicContact CD1-CB 3.86Å; L102-F139 HydrophobicContact CD1-CD1 4.47Å; L102-F139 HydrophobicContact CD1-CD2 3.66Å; L102-F139 HydrophobicContact CD1-CE2 4.27Å; L102-F139 HydrophobicContact CD1-CG 3.77Å; L102-F139 HydrophobicContact CD2-CD2 3.79Å; L102-F139 HydrophobicContact CD2-CE2 3.62Å; L102-F139 HydrophobicContact CD2-CZ 4.32Å; L102-F139 HydrophobicContact CG-CD2 4.4Å
103S86.8Confident88.1Confident25 Ų2557.6 Ų57.618%0.17527%0.267CS..SBendtrans-144.6171.1174.869.10000111.4H105 T106S103-H105 PolarHBondContact O-N 3.21Å; S103-H105 VanDerWaalsContact O-N 3.16Å; S103-T106 WeakPolarHBondContact O-CG2 3.35Å; S103-T106 PolarHBondContact O-N 3.37Å
104D77.3Confident87.2Confident44 Ų4457.2 Ų57.224%0.23527%0.268CS..THydrogen-bonded Turntrans-65-17.4-175-68.7-28.3000114.5K127 V131 K132D104-K127 WeakPolarHBondContact OD2-CD 3.38Å; D104-K127 WeakPolarHBondContact OD2-CE 3.31Å; D104-K127 IonicContact OD2-NZ 2.67Å; D104-K127 PolarHBondContact OD2-NZ 2.98Å; D104-V131 WeakPolarHBondContact OD1-CA 3.21Å; D104-V131 WeakPolarHBondContact OD1-CB 3.49Å; D104-K132 PolarHBondContact OD1-N 3.01Å
105H75.8Confident86.1Confident153 Ų15360.5 Ų60.571%0.70829%0.289SS*.THydrogen-bonded Turntrans-134.529.5-177.5-58.5-62.5000112.4S103S103-H105 PolarHBondContact O-N 3.21Å; S103-H105 VanDerWaalsContact O-N 3.16Å
106T81.3Confident85.4Confident17 Ų1762.4 Ų62.410%0.10430%0.303CS..  trans-74.9157.3176.9-168.20000111.9Q15 Q101 S103 S108Q15-T106 WeakPolarHBondContact CB-OG1 3.47Å; Q15-T106 CarbonylContact O-C 3.58Å; Q15-T106 WeakPolarHBondContact O-CA 3.48Å; Q101-T106 WeakPolarHBondContact O-CB 3.2Å; Q101-T106 WeakPolarHBondContact O-CG2 3.37Å; Q101-T106 PolarHBondContact O-OG1 3.22Å; S103-T106 WeakPolarHBondContact O-CG2 3.35Å; S103-T106 PolarHBondContact O-N 3.37Å; T106-S108 WeakPolarHBondContact CG2-OG 3.37Å; T106-S108 PolarHBondContact OG1-N 3.07Å
107R84Confident85Confident99 Ų9963.2 Ų63.237%0.37430%0.304SS..  trans-105.324.4172.1-54.7174.880.7-154.19.3111.5Q15 R35 E109 K110Q15-R107 WeakPolarHBondContact O-CG 3.46Å; Q15-R107 PolarHBondContact O-N 3.03Å; R35-R107 VanDerWaalsContact NH2-NH1 3.2Å; R107-E109 WeakPolarHBondContact CA-OE2 3.42Å; R107-E109 PolarHBondContact O-N 3.06Å; R107-K110 PolarHBondContact O-N 2.97Å
108S84.6Confident84.7Confident2 Ų260.2 Ų60.21%0.01429%0.294CS..G310 helixtrans-61.9-26.8-170.4630000113.7T106 K110 C111 Y112T106-S108 WeakPolarHBondContact CG2-OG 3.37Å; T106-S108 PolarHBondContact OG1-N 3.07Å; S108-K110 PolarHBondContact O-N 3.06Å; S108-K110 VanDerWaalsContact O-N 3.08Å; S108-C111 VanDerWaalsContact O-CB 3.29Å; S108-C111 WeakPolarHBondContact O-CB 3.46Å; S108-C111 PolarHBondContact O-N 2.85Å; S108-Y112 WeakPolarHBondContact O-CD1 3.32Å; S108-Y112 WeakPolarHBondContact O-CE1 3.35Å
109E83.2Confident84.5Confident79 Ų7960.2 Ų60.237%0.36930%0.297SS..G310 helixtrans-61.5-16.4179.470.3-72.7167.700113.8R107 C111R107-E109 WeakPolarHBondContact CA-OE2 3.42Å; R107-E109 PolarHBondContact O-N 3.06Å; E109-C111 VanDerWaalsContact C-N 3.29Å
110K85.6Confident84.4Confident141 Ų14162.6 Ų62.661%0.61331%0.311SS*.G310 helixtrans-82.4-8.6175.7-61-175.7-178.3-169.90113.2R107 S108R107-K110 PolarHBondContact O-N 2.97Å; S108-K110 PolarHBondContact O-N 3.06Å; S108-K110 VanDerWaalsContact O-N 3.08Å
111C87.4Confident84.3Confident15 Ų1564.7 Ų64.710%0.10132%0.322CS..SBendtrans-92.7-9.4-171.6-70.40000115Q15 C96 V100 S108 E109Q15-C111 PolarHBondContact NE2-SG 3.22Å; C96-C111 HydrophobicContact CB-CB 3.99Å; C96-C111 WeakPolarHBondContact CB-SG 3.43Å; C96-C111 WeakPolarHBondContact SG-CA 3.02Å; C96-C111 WeakPolarHBondContact SG-CB 3.44Å; C96-C111 CovalentContact SG-SG 2.03Å; C96-C111 PolarHBondContact SG-SG 2.91Å; V100-C111 HydrophobicContact CG2-CB 4.44Å; S108-C111 VanDerWaalsContact O-CB 3.29Å; S108-C111 WeakPolarHBondContact O-CB 3.46Å; S108-C111 PolarHBondContact O-N 2.85Å; E109-C111 VanDerWaalsContact C-N 3.29Å
112Y84.8Confident84.3Confident27 Ų2766.8 Ų66.811%0.10633%0.332CS..  trans-148.3145.3-177.655.5-87.2000109.7V100 S108 L118 H135 F139V100-Y112 HydrophobicContact CG1-CD1 4.15Å; V100-Y112 HydrophobicContact CG1-CE1 3.86Å; V100-Y112 HydrophobicContact CG2-CD1 4.5Å; S108-Y112 WeakPolarHBondContact O-CD1 3.32Å; S108-Y112 WeakPolarHBondContact O-CE1 3.35Å; Y112-L118 HydrophobicContact CD1-CD2 3.52Å; Y112-L118 HydrophobicContact CD2-CD2 4.28Å; Y112-L118 HydrophobicContact CE1-CD2 4.18Å; Y112-L118 HydrophobicContact CG-CD2 3.58Å; Y112-L118 HydrophobicContact CG-CG 4.26Å; Y112-H135 AromaticContact CE2-CD2 4Å; Y112-H135 AromaticContact CZ-CD2 3.98Å; Y112-H135 PolarHBondContact OH-CD2 3.39Å; Y112-F139 AromaticContact CE1-CZ 3.9Å; Y112-F139 HydrophobicContact CE1-CZ 3.9Å; Y112-F139 HydrophobicContact CE2-CZ 4.27Å; Y112-F139 AromaticContact CZ-CZ 3.59Å; Y112-F139 WeakPolarHBondContact OH-CE2 3.16Å; Y112-F139 WeakPolarHBondContact OH-CZ 3.33Å
113K80.9Confident84.4Confident189 Ų18968.1 Ų68.182%0.82234%0.337SS*.SBendtrans-105.1-41.4168-68180-179.7178.20109.9D117K113-D117 PolarHBondContact N-OD2 2.97Å
114D76.9Confident84.5Confident105 Ų10569.4 Ų69.456%0.56134%0.342SS*.SBendtrans-123.9161.8-179.6-65.6-57.9000111.8S116 D117D114-S116 PolarHBondContact O-N 3.41Å; D114-D117 PolarHBondContact N-OD2 3.49Å; D114-D117 VanDerWaalsContact N-OD2 3.08Å; D114-D117 WeakPolarHBondContact O-CB 3.5Å; D114-D117 PolarHBondContact O-N 3.12Å; D114-D117 VanDerWaalsContact O-N 3.15Å
115V72.8Confident85Confident86 Ų8668 Ų6852%0.52134%0.336SS..G310 helixtrans-62.5-32.2-179175.90000112.1D117 L118 F138V115-D117 PolarHBondContact O-N 3.44Å; V115-L118 WeakPolarHBondContact O-CB 3.42Å; V115-L118 PolarHBondContact O-N 2.97Å; V115-F138 HydrophobicContact CB-CZ 4.2Å; V115-F138 HydrophobicContact CG1-CE1 4.49Å; V115-F138 HydrophobicContact CG1-CE2 4.43Å; V115-F138 HydrophobicContact CG1-CZ 3.65Å; V115-F138 HydrophobicContact CG2-CE1 4.12Å; V115-F138 HydrophobicContact CG2-CE2 3.84Å; V115-F138 HydrophobicContact CG2-CZ 3.46Å; V115-F138 VanDerWaalsContact CG2-CZ 3.46Å
116S79.6Confident85.5Confident86 Ų8666.9 Ų66.960%0.60134%0.342SS*.G310 helixtrans-63.6-21.9177.846.90000113.7D114 L118 K119D114-S116 PolarHBondContact O-N 3.41Å; S116-L118 VanDerWaalsContact C-N 3.35Å; S116-K119 PolarHBondContact O-NZ 2.93Å
117D82.9Confident85.7Confident59 Ų5971.6 Ų71.632%0.31636%0.361SS..G310 helixtrans-71.2-33.3177.2-62.6-29.7000111.3Y97 K113 D114 V115 K119Y97-D117 WeakPolarHBondContact CB-O 3.36Å; K113-D117 PolarHBondContact N-OD2 2.97Å; D114-D117 PolarHBondContact N-OD2 3.49Å; D114-D117 VanDerWaalsContact N-OD2 3.08Å; D114-D117 WeakPolarHBondContact O-CB 3.5Å; D114-D117 PolarHBondContact O-N 3.12Å; D114-D117 VanDerWaalsContact O-N 3.15Å; V115-D117 PolarHBondContact O-N 3.44Å; D117-K119 PolarHBondContact O-N 3.41Å
118L87.3Confident86Confident23 Ų2372.7 Ų72.712%0.1237%0.369CS..  trans-66.7126.5-174.8-62.2169.2000111.2V100 Y112 V115 S116 I121 F138 F139V100-L118 HydrophobicContact CB-CD2 4.4Å; V100-L118 HydrophobicContact CG1-CD2 4.37Å; V100-L118 HydrophobicContact CG2-CD2 3.69Å; Y112-L118 HydrophobicContact CD1-CD2 3.52Å; Y112-L118 HydrophobicContact CD2-CD2 4.28Å; Y112-L118 HydrophobicContact CE1-CD2 4.18Å; Y112-L118 HydrophobicContact CG-CD2 3.58Å; Y112-L118 HydrophobicContact CG-CG 4.26Å; V115-L118 WeakPolarHBondContact O-CB 3.42Å; V115-L118 PolarHBondContact O-N 2.97Å; S116-L118 VanDerWaalsContact C-N 3.35Å; L118-I121 HydrophobicContact CD1-CD1 4.46Å; L118-F138 HydrophobicContact CD1-CE1 3.99Å; L118-F139 HydrophobicContact CD1-CE1 3.74Å; L118-F139 HydrophobicContact CD1-CZ 4.45Å; L118-F139 HydrophobicContact CD2-CE1 4.35Å
119K91.6Very high86.1Confident112 Ų11275 Ų7549%0.48738%0.38SS..SBendtrans-111.2-43.6174.8-53.4-56.8172.5-155.50112.5Y97 W98 S116 D117Y97-K119 HydrophobicContact CD2-CG 3.83Å; Y97-K119 HydrophobicContact CE2-CG 4.4Å; Y97-K119 WeakPolarHBondContact O-CB 3.34Å; Y97-K119 PolarHBondContact O-N 3.44Å; W98-K119 HydrophobicContact CD2-CB 3.96Å; W98-K119 HydrophobicContact CD2-CG 4.06Å; W98-K119 HydrophobicContact CE3-CB 3.62Å; W98-K119 HydrophobicContact CE3-CG 4.12Å; W98-K119 HydrophobicContact CH2-CB 4.41Å; W98-K119 HydrophobicContact CH2-CG 4.26Å; W98-K119 HydrophobicContact CZ2-CG 4.2Å; W98-K119 HydrophobicContact CZ3-CB 3.88Å; W98-K119 HydrophobicContact CZ3-CG 4.22Å; S116-K119 PolarHBondContact O-NZ 2.93Å; D117-K119 PolarHBondContact O-N 3.41Å
120V93.4Very high86.2Confident49 Ų4981.6 Ų81.630%0.29740%0.402SS..  trans-137.2126.6176.2-172.30000110.2V41 Y97 W98 V100V41-V120 HydrophobicContact CG2-CB 4.42Å; V41-V120 HydrophobicContact CG2-CG1 3.82Å; Y97-V120 PolarHBondContact O-N 2.9Å; W98-V120 VanDerWaalsContact O-CB 3.3Å; W98-V120 WeakPolarHBondContact O-CB 3.35Å; W98-V120 WeakPolarHBondContact O-CG2 3.5Å; V100-V120 PolarHBondContact N-O 3.32Å
121I91.9Very high86.2Confident45 Ų4575 Ų7523%0.23137%0.373CS..EExtended strand (participates in β ladder)trans-104.5123.3174.3-61.8155.3000108L102 L118 F139 L142L102-I121 HydrophobicContact CD1-CG2 3.43Å; L102-I121 VanDerWaalsContact CD1-CG2 3.43Å; L102-I121 HydrophobicContact CG-CG2 4.12Å; L118-I121 HydrophobicContact CD1-CD1 4.46Å; I121-F139 HydrophobicContact CD1-CD1 3.64Å; I121-F139 HydrophobicContact CD1-CE1 3.88Å; I121-F139 HydrophobicContact CG1-CD1 4.01Å; I121-F139 HydrophobicContact CG1-CE1 3.94Å; I121-F139 HydrophobicContact CG2-CD1 3.98Å; I121-F139 HydrophobicContact CG2-CE1 4.4Å; I121-F139 HydrophobicContact CG2-CG 4.35Å; I121-L142 HydrophobicContact CD1-CD2 3.41Å; I121-L142 VanDerWaalsContact CD1-CD2 3.41Å
122H93Very high85.9Confident46 Ų4682.6 Ų82.621%0.21341%0.405CS..EExtended strand (participates in β ladder)trans-121.5105.7-171-178.3-161.6000111.1N38 G40 N99 V100 L102 N124N38-H122 PolarHBondContact OD1-CE1 3.13Å; N38-H122 VanDerWaalsContact OD1-CE1 3.28Å; N38-H122 PolarHBondContact OD1-ND1 3.21Å; N38-H122 VanDerWaalsContact OD1-ND1 3.16Å; G40-H122 VanDerWaalsContact CA-CE1 3.45Å; G40-H122 WeakPolarHBondContact CA-CE1 3.47Å; N99-H122 VanDerWaalsContact OD1-CB 3.25Å; N99-H122 WeakPolarHBondContact OD1-CB 3.5Å; N99-H122 PolarHBondContact OD1-ND1 3.46Å; N99-H122 VanDerWaalsContact OD1-ND1 3.09Å; V100-H122 PolarHBondContact O-N 3.27Å; L102-H122 PolarHBondContact N-O 3.1Å; H122-N124 VanDerWaalsContact C-N 3.26Å; H122-N124 VanDerWaalsContact CE1-CB 3.49Å; H122-N124 WeakPolarHBondContact CE1-CB 3.22Å; H122-N124 PolarHBondContact O-N 3.44Å
123W91.7Very high85.6Confident28 Ų2882.6 Ų82.611%0.10641%0.406CS..  trans-77.872.4173.4-61.994.5000111.4L102 S125 L129 V131 V136 F139 R140L102-W123 HydrophobicContact CB-CD2 4.31Å; L102-W123 HydrophobicContact CB-CE3 3.94Å; L102-W123 HydrophobicContact CB-CZ3 4.4Å; L102-W123 HydrophobicContact CD1-CD2 3.7Å; L102-W123 HydrophobicContact CD1-CE3 3.81Å; L102-W123 HydrophobicContact CD1-CG 4.4Å; L102-W123 HydrophobicContact CD1-CH2 3.91Å; L102-W123 HydrophobicContact CD1-CZ2 3.77Å; L102-W123 HydrophobicContact CD1-CZ3 3.92Å; W123-S125 VanDerWaalsContact C-N 3.35Å; W123-S125 PolarHBondContact O-N 2.97Å; W123-L129 HydrophobicContact CD2-CD2 3.86Å; W123-L129 HydrophobicContact CE3-CD2 4.2Å; W123-L129 HydrophobicContact CG-CD2 4.42Å; W123-L129 HydrophobicContact CH2-CD2 3.93Å; W123-L129 HydrophobicContact CZ2-CD2 3.56Å; W123-L129 HydrophobicContact CZ3-CD2 4.23Å; W123-V131 HydrophobicContact CE3-CG2 3.72Å; W123-V131 HydrophobicContact CZ3-CG2 3.45Å; W123-V131 VanDerWaalsContact CZ3-CG2 3.45Å; W123-V136 HydrophobicContact CH2-CG2 4.03Å; W123-V136 HydrophobicContact CZ3-CG2 4.2Å; W123-F139 HydrophobicContact CH2-CB 3.9Å; W123-F139 HydrophobicContact CZ2-CB 3.49Å; W123-F139 VanDerWaalsContact CZ2-CB 3.49Å; W123-R140 HydrophobicContact CH2-CB 4.48Å
124N88.6Confident85.7Confident53 Ų5382 Ų8228%0.28340%0.404SS..  trans-79.7-11.5-171.965.9-36.2000114.5L102 H122L102-N124 PolarHBondContact N-OD1 2.66Å; L102-N124 VanDerWaalsContact N-OD1 3.16Å; L102-N124 PolarHBondContact O-OD1 3.03Å; H122-N124 VanDerWaalsContact C-N 3.26Å; H122-N124 VanDerWaalsContact CE1-CB 3.49Å; H122-N124 WeakPolarHBondContact CE1-CB 3.22Å; H122-N124 PolarHBondContact O-N 3.44Å
125S88.1Confident86.1Confident15 Ų1580.1 Ų80.111%0.10539%0.392CS..SBendtrans-75.7145.2174.5179.20000112.7W123 K127 K128 V131W123-S125 VanDerWaalsContact C-N 3.35Å; W123-S125 PolarHBondContact O-N 2.97Å; S125-K127 PolarHBondContact O-N 3.29Å; S125-K127 VanDerWaalsContact O-N 3.15Å; S125-K127 PolarHBondContact OG-N 3.43Å; S125-K127 VanDerWaalsContact OG-N 3.14Å; S125-K128 WeakPolarHBondContact O-CD 3.48Å; S125-K128 PolarHBondContact O-N 2.95Å; S125-V131 WeakPolarHBondContact OG-CG1 3.5Å
126P85.3Confident86.6Confident129 Ų12977.4 Ų77.484%0.83838%0.375SS*.THydrogen-bonded Turntrans-56.6-26.3167.5-24.334.1000113.3K128P126-K128 PolarHBondContact O-N 3.14Å
127K86.9Confident86.9Confident116 Ų11678.6 Ų78.650%0.50437%0.371SS..THydrogen-bonded Turntrans-71.4-11.4176.3-64.3-177.5-175.8173.80113.1D104 S125 L129 R130 V131D104-K127 WeakPolarHBondContact OD2-CD 3.38Å; D104-K127 WeakPolarHBondContact OD2-CE 3.31Å; D104-K127 IonicContact OD2-NZ 2.67Å; D104-K127 PolarHBondContact OD2-NZ 2.98Å; S125-K127 PolarHBondContact O-N 3.29Å; S125-K127 VanDerWaalsContact O-N 3.15Å; S125-K127 PolarHBondContact OG-N 3.43Å; S125-K127 VanDerWaalsContact OG-N 3.14Å; K127-L129 PolarHBondContact O-N 2.91Å; K127-R130 HydrophobicContact CB-CB 4.24Å; K127-R130 VanDerWaalsContact O-CB 3.29Å; K127-R130 WeakPolarHBondContact O-CB 3.44Å; K127-R130 PolarHBondContact O-N 3.45Å; K127-V131 HydrophobicContact CB-CG1 3.93Å
128K88.9Confident87.1Confident122 Ų12279.4 Ų79.453%0.5337%0.372SS..G310 helixtrans48.3-123.2-179-57.5-63.5177.4-176.60110.7S125 P126 R130 V131S125-K128 WeakPolarHBondContact O-CD 3.48Å; S125-K128 PolarHBondContact O-N 2.95Å; P126-K128 PolarHBondContact O-N 3.14Å; K128-R130 PolarHBondContact O-N 2.97Å; K128-V131 WeakPolarHBondContact O-CG2 3.47Å; K128-V131 PolarHBondContact O-N 3.23Å
129L86.8Confident87.2Confident49 Ų4978.4 Ų78.426%0.25737%0.367SS..G310 helixtrans-64.7-8.3-179-55.1179.5000114.7W123 K127 Y143W123-L129 HydrophobicContact CD2-CD2 3.86Å; W123-L129 HydrophobicContact CE3-CD2 4.2Å; W123-L129 HydrophobicContact CG-CD2 4.42Å; W123-L129 HydrophobicContact CH2-CD2 3.93Å; W123-L129 HydrophobicContact CZ2-CD2 3.56Å; W123-L129 HydrophobicContact CZ3-CD2 4.23Å; K127-L129 PolarHBondContact O-N 2.91Å; L129-Y143 HydrophobicContact CD1-CD1 3.69Å; L129-Y143 HydrophobicContact CD1-CE1 3.67Å; L129-Y143 HydrophobicContact CD2-CD1 3.76Å; L129-Y143 HydrophobicContact CD2-CE1 4.2Å; L129-Y143 HydrophobicContact CD2-CG 4.03Å; L129-Y143 HydrophobicContact CG-CD1 4.3Å; L129-Y143 HydrophobicContact CG-CE1 4.36Å
130R85.4Confident87.1Confident218 Ų21878 Ų7882%0.82336%0.362SS*.G310 helixtrans-90.35.6-178.6-55.1179.8179.1176.10.3113.8K127 K128K127-R130 HydrophobicContact CB-CB 4.24Å; K127-R130 VanDerWaalsContact O-CB 3.29Å; K127-R130 WeakPolarHBondContact O-CB 3.44Å; K127-R130 PolarHBondContact O-N 3.45Å; K128-R130 PolarHBondContact O-N 2.97Å
131V85.9Confident86.9Confident3 Ų380 Ų802%0.01837%0.371CS..  trans-69.9147.8177.4-65.60000111.6L102 D104 W123 S125 K127 K128 V136L102-V131 HydrophobicContact CB-CG2 4.35Å; D104-V131 WeakPolarHBondContact OD1-CA 3.21Å; D104-V131 WeakPolarHBondContact OD1-CB 3.49Å; W123-V131 HydrophobicContact CE3-CG2 3.72Å; W123-V131 HydrophobicContact CZ3-CG2 3.45Å; W123-V131 VanDerWaalsContact CZ3-CG2 3.45Å; S125-V131 WeakPolarHBondContact OG-CG1 3.5Å; K127-V131 HydrophobicContact CB-CG1 3.93Å; K128-V131 WeakPolarHBondContact O-CG2 3.47Å; K128-V131 PolarHBondContact O-N 3.23Å; V131-V136 VanDerWaalsContact O-CG2 3.25Å; V131-V136 WeakPolarHBondContact O-CG2 3.32Å
132K81.4Confident86.8Confident175 Ų17580.2 Ų80.276%0.76137%0.372SS*.  trans-91.1113.4173.1-65.2-174.5179.7-176.70109.5D104D104-K132 PolarHBondContact OD1-N 3.01Å
133N78.8Confident86.6Confident26 Ų2682.3 Ų82.314%0.13938%0.379CS..  trans-142.6160.4169.273.477.4000110.3H135 V136N133-H135 PolarHBondContact O-N 2.69Å; N133-H135 VanDerWaalsContact O-N 3.15Å; N133-H135 PolarHBondContact OD1-N 3.25Å; N133-V136 WeakPolarHBondContact ND2-CB 3.22Å; N133-V136 WeakPolarHBondContact O-CB 3.43Å; N133-V136 WeakPolarHBondContact O-CG1 3.46Å; N133-V136 PolarHBondContact O-N 3.34Å; N133-V136 VanDerWaalsContact OD1-CA 3.31Å; N133-V136 WeakPolarHBondContact OD1-CA 3.5Å; N133-V136 PolarHBondContact OD1-N 3.32Å
134K82.2Confident86.4Confident176 Ų17683.7 Ų83.777%0.76539%0.388SS*.THydrogen-bonded Turntrans-57-32.8-173.7-175.6-179.6175.4-171.10113.7
135H85Confident86.3Confident67 Ų6783.9 Ų83.931%0.3139%0.391SS..THydrogen-bonded Turntrans-115.526-174.9-60.4-80.2000112Y112 N133 E137 F138 F139Y112-H135 AromaticContact CE2-CD2 4Å; Y112-H135 AromaticContact CZ-CD2 3.98Å; Y112-H135 PolarHBondContact OH-CD2 3.39Å; N133-H135 PolarHBondContact O-N 2.69Å; N133-H135 VanDerWaalsContact O-N 3.15Å; N133-H135 PolarHBondContact OD1-N 3.25Å; H135-E137 VanDerWaalsContact C-N 3.34Å; H135-E137 PolarHBondContact O-N 3.27Å; H135-F138 WeakPolarHBondContact O-CB 3.37Å; H135-F138 PolarHBondContact O-N 3Å; H135-F138 VanDerWaalsContact O-N 3.16Å; H135-F139 HydrophobicContact CB-CD2 4.11Å; H135-F139 HydrophobicContact CB-CE2 3.78Å; H135-F139 HydrophobicContact CB-CZ 4.44Å; H135-F139 VanDerWaalsContact O-CD2 3.25Å; H135-F139 WeakPolarHBondContact O-CD2 3.05Å; H135-F139 PolarHBondContact O-N 2.56Å; H135-F139 VanDerWaalsContact O-N 3.12Å
136V83.4Confident86.2Confident28 Ų2890.1 Ų90.117%0.1742%0.417CS..Hα-helixtrans-60.6-41.1-170.264.70000112.6W123 V131 N133 F138 F139 R140W123-V136 HydrophobicContact CH2-CG2 4.03Å; W123-V136 HydrophobicContact CZ3-CG2 4.2Å; V131-V136 VanDerWaalsContact O-CG2 3.25Å; V131-V136 WeakPolarHBondContact O-CG2 3.32Å; N133-V136 WeakPolarHBondContact ND2-CB 3.22Å; N133-V136 WeakPolarHBondContact O-CB 3.43Å; N133-V136 WeakPolarHBondContact O-CG1 3.46Å; N133-V136 PolarHBondContact O-N 3.34Å; N133-V136 VanDerWaalsContact OD1-CA 3.31Å; N133-V136 WeakPolarHBondContact OD1-CA 3.5Å; N133-V136 PolarHBondContact OD1-N 3.32Å; V136-F138 VanDerWaalsContact C-N 3.34Å; V136-F138 PolarHBondContact O-N 3.28Å; V136-F139 PolarHBondContact O-N 3.18Å; V136-R140 WeakPolarHBondContact O-CB 3.44Å; V136-R140 PolarHBondContact O-N 3.03Å
137E86.3Confident86.1Confident111 Ų11185.6 Ų85.652%0.51939%0.386SS..Hα-helixtrans-64.9-39.5179.8-65.9-56.914600111.5H135 R140 N141H135-E137 VanDerWaalsContact C-N 3.34Å; H135-E137 PolarHBondContact O-N 3.27Å; E137-R140 PolarHBondContact O-N 3.48Å; E137-N141 WeakPolarHBondContact O-CB 3.37Å; E137-N141 PolarHBondContact O-N 2.73Å; E137-N141 PolarHBondContact O-ND2 2.86Å
138F87.9Confident86Confident77 Ų7786.8 Ų86.834%0.33839%0.393SS..Hα-helixtrans-61.3-51.1174.8168.5-98.6000111.3V115 L118 H135 V136 R140 N141 L142V115-F138 HydrophobicContact CB-CZ 4.2Å; V115-F138 HydrophobicContact CG1-CE1 4.49Å; V115-F138 HydrophobicContact CG1-CE2 4.43Å; V115-F138 HydrophobicContact CG1-CZ 3.65Å; V115-F138 HydrophobicContact CG2-CE1 4.12Å; V115-F138 HydrophobicContact CG2-CE2 3.84Å; V115-F138 HydrophobicContact CG2-CZ 3.46Å; V115-F138 VanDerWaalsContact CG2-CZ 3.46Å; L118-F138 HydrophobicContact CD1-CE1 3.99Å; H135-F138 WeakPolarHBondContact O-CB 3.37Å; H135-F138 PolarHBondContact O-N 3Å; H135-F138 VanDerWaalsContact O-N 3.16Å; V136-F138 VanDerWaalsContact C-N 3.34Å; V136-F138 PolarHBondContact O-N 3.28Å; F138-R140 VanDerWaalsContact C-N 3.31Å; F138-R140 PolarHBondContact O-N 3.37Å; F138-N141 PolarHBondContact O-N 3.18Å; F138-L142 HydrophobicContact CE1-CD2 4.37Å; F138-L142 HydrophobicContact CZ-CD2 4.29Å; F138-L142 WeakPolarHBondContact O-CB 3.24Å; F138-L142 PolarHBondContact O-N 3.04Å
139F89.4Confident85.9Confident1 Ų187.1 Ų87.10%0.00439%0.392CS..Hα-helixtrans-64.8-36.8179.8-66.1-52.7000112.6V100 L102 Y112 L118 I121 W123 H135 V136 L142 Y143V100-F139 HydrophobicContact CG1-CZ 4.48Å; L102-F139 HydrophobicContact CD1-CB 3.86Å; L102-F139 HydrophobicContact CD1-CD1 4.47Å; L102-F139 HydrophobicContact CD1-CD2 3.66Å; L102-F139 HydrophobicContact CD1-CE2 4.27Å; L102-F139 HydrophobicContact CD1-CG 3.77Å; L102-F139 HydrophobicContact CD2-CD2 3.79Å; L102-F139 HydrophobicContact CD2-CE2 3.62Å; L102-F139 HydrophobicContact CD2-CZ 4.32Å; L102-F139 HydrophobicContact CG-CD2 4.4Å; Y112-F139 AromaticContact CE1-CZ 3.9Å; Y112-F139 HydrophobicContact CE1-CZ 3.9Å; Y112-F139 HydrophobicContact CE2-CZ 4.27Å; Y112-F139 AromaticContact CZ-CZ 3.59Å; Y112-F139 WeakPolarHBondContact OH-CE2 3.16Å; Y112-F139 WeakPolarHBondContact OH-CZ 3.33Å; L118-F139 HydrophobicContact CD1-CE1 3.74Å; L118-F139 HydrophobicContact CD1-CZ 4.45Å; L118-F139 HydrophobicContact CD2-CE1 4.35Å; I121-F139 HydrophobicContact CD1-CD1 3.64Å; I121-F139 HydrophobicContact CD1-CE1 3.88Å; I121-F139 HydrophobicContact CG1-CD1 4.01Å; I121-F139 HydrophobicContact CG1-CE1 3.94Å; I121-F139 HydrophobicContact CG2-CD1 3.98Å; I121-F139 HydrophobicContact CG2-CE1 4.4Å; I121-F139 HydrophobicContact CG2-CG 4.35Å; W123-F139 HydrophobicContact CH2-CB 3.9Å; W123-F139 HydrophobicContact CZ2-CB 3.49Å; W123-F139 VanDerWaalsContact CZ2-CB 3.49Å; H135-F139 HydrophobicContact CB-CD2 4.11Å; H135-F139 HydrophobicContact CB-CE2 3.78Å; H135-F139 HydrophobicContact CB-CZ 4.44Å; H135-F139 VanDerWaalsContact O-CD2 3.25Å; H135-F139 WeakPolarHBondContact O-CD2 3.05Å; H135-F139 PolarHBondContact O-N 2.56Å; H135-F139 VanDerWaalsContact O-N 3.12Å; V136-F139 PolarHBondContact O-N 3.18Å; F139-L142 PolarHBondContact O-N 3.37Å; F139-Y143 WeakPolarHBondContact O-CB 3.45Å; F139-Y143 PolarHBondContact O-N 3.2Å
140R88.8Confident85.9Confident105 Ų10588.3 Ų88.340%0.39640%0.398SS..Hα-helixtrans-64.5-46.5176.1178.7-177.4168-175.1-4110.5W123 V136 E137 F138 L142 Y143 L144W123-R140 HydrophobicContact CH2-CB 4.48Å; V136-R140 WeakPolarHBondContact O-CB 3.44Å; V136-R140 PolarHBondContact O-N 3.03Å; E137-R140 PolarHBondContact O-N 3.48Å; F138-R140 VanDerWaalsContact C-N 3.31Å; F138-R140 PolarHBondContact O-N 3.37Å; R140-L142 VanDerWaalsContact C-N 3.35Å; R140-Y143 PolarHBondContact O-N 3.37Å; R140-L144 HydrophobicContact CG-CD1 4.12Å; R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.16Å; R140-L144 PolarHBondContact O-N 2.68Å
141N89.1Confident85.9Confident90 Ų9078.7 Ų78.748%0.48137%0.367SS..Hα-helixtrans-61.2-45.3176.8-71.8-14.3000110.8E137 F138 Y143 L144 T145E137-N141 WeakPolarHBondContact O-CB 3.37Å; E137-N141 PolarHBondContact O-N 2.73Å; E137-N141 PolarHBondContact O-ND2 2.86Å; F138-N141 PolarHBondContact O-N 3.18Å; N141-Y143 VanDerWaalsContact C-N 3.34Å; N141-Y143 PolarHBondContact O-N 3.14Å; N141-L144 PolarHBondContact O-N 2.97Å; N141-T145 WeakPolarHBondContact O-CB 3.18Å; N141-T145 PolarHBondContact O-N 3.42Å; N141-T145 PolarHBondContact O-OG1 3.04Å
142L89.3Confident85.7Confident49 Ų4978.9 Ų78.926%0.25737%0.368SS..Hα-helixtrans-59.7-43.7176.7-174.262.2000112.1I121 F138 F139 R140 T145 F146I121-L142 HydrophobicContact CD1-CD2 3.41Å; I121-L142 VanDerWaalsContact CD1-CD2 3.41Å; F138-L142 HydrophobicContact CE1-CD2 4.37Å; F138-L142 HydrophobicContact CZ-CD2 4.29Å; F138-L142 WeakPolarHBondContact O-CB 3.24Å; F138-L142 PolarHBondContact O-N 3.04Å; F139-L142 PolarHBondContact O-N 3.37Å; R140-L142 VanDerWaalsContact C-N 3.35Å; L142-T145 WeakPolarHBondContact O-CB 3.45Å; L142-T145 PolarHBondContact O-N 3.33Å; L142-F146 HydrophobicContact CD1-CD2 4.29Å; L142-F146 HydrophobicContact CD1-CE2 3.76Å; L142-F146 HydrophobicContact CG-CD2 4.25Å; L142-F146 HydrophobicContact CG-CE2 3.94Å; L142-F146 WeakPolarHBondContact O-CD2 3.42Å; L142-F146 PolarHBondContact O-N 2.87Å; L142-F146 VanDerWaalsContact O-N 3.13Å
143Y88.6Confident85.7Confident91 Ų9173.7 Ų73.736%0.35735%0.348SS..Hα-helixtrans-60.3-46.7174.1171.3-97.2000112.3L129 F139 R140 N141 T145 F146 L147L129-Y143 HydrophobicContact CD1-CD1 3.69Å; L129-Y143 HydrophobicContact CD1-CE1 3.67Å; L129-Y143 HydrophobicContact CD2-CD1 3.76Å; L129-Y143 HydrophobicContact CD2-CE1 4.2Å; L129-Y143 HydrophobicContact CD2-CG 4.03Å; L129-Y143 HydrophobicContact CG-CD1 4.3Å; L129-Y143 HydrophobicContact CG-CE1 4.36Å; F139-Y143 WeakPolarHBondContact O-CB 3.45Å; F139-Y143 PolarHBondContact O-N 3.2Å; R140-Y143 PolarHBondContact O-N 3.37Å; N141-Y143 VanDerWaalsContact C-N 3.34Å; N141-Y143 PolarHBondContact O-N 3.14Å; Y143-T145 VanDerWaalsContact C-N 3.31Å; Y143-T145 PolarHBondContact O-N 3.49Å; Y143-F146 PolarHBondContact O-N 2.89Å; Y143-L147 HydrophobicContact CD1-CD1 4.06Å; Y143-L147 HydrophobicContact CD1-CG 4.38Å; Y143-L147 HydrophobicContact CE1-CD1 3.27Å; Y143-L147 HydrophobicContact CE1-CG 3.89Å; Y143-L147 HydrophobicContact CE2-CD1 4.44Å; Y143-L147 HydrophobicContact CE2-CD2 4.42Å; Y143-L147 HydrophobicContact CE2-CG 4.34Å; Y143-L147 PolarHBondContact O-N 2.83Å; Y143-L147 VanDerWaalsContact O-N 3.1Å
144L87.4Confident85.6Confident56 Ų5679.2 Ų79.229%0.29338%0.377SS..Hα-helixtrans-63.2-38.5178.1-69.7173.4000111.7R140 N141 F146 L147 E148R140-L144 HydrophobicContact CG-CD1 4.12Å; R140-L144 VanDerWaalsContact O-CG 3.3Å; R140-L144 WeakPolarHBondContact O-CG 3.16Å; R140-L144 PolarHBondContact O-N 2.68Å; N141-L144 PolarHBondContact O-N 2.97Å; L144-F146 PolarHBondContact O-N 3.48Å; L144-L147 PolarHBondContact O-N 3.3Å; L144-L147 VanDerWaalsContact O-N 3.14Å; L144-E148 WeakPolarHBondContact O-CG 3.23Å; L144-E148 PolarHBondContact O-N 3.44Å
145T88.1Confident85.2Confident58 Ų5876.3 Ų76.336%0.35636%0.361SS..Hα-helixtrans-54.9-52.6172.3-61.20000110.5N141 L142 Y143 L147 E148 Y149N141-T145 WeakPolarHBondContact O-CB 3.18Å; N141-T145 PolarHBondContact O-N 3.42Å; N141-T145 PolarHBondContact O-OG1 3.04Å; L142-T145 WeakPolarHBondContact O-CB 3.45Å; L142-T145 PolarHBondContact O-N 3.33Å; Y143-T145 VanDerWaalsContact C-N 3.31Å; Y143-T145 PolarHBondContact O-N 3.49Å; T145-L147 VanDerWaalsContact C-N 3.26Å; T145-L147 PolarHBondContact O-N 3.21Å; T145-E148 PolarHBondContact O-N 2.89Å; T145-E148 VanDerWaalsContact O-N 3.09Å; T145-Y149 HydrophobicContact CG2-CD2 3.7Å; T145-Y149 HydrophobicContact CG2-CE2 3.24Å; T145-Y149 WeakPolarHBondContact O-CD2 3.32Å; T145-Y149 PolarHBondContact O-N 2.84Å
146F84.8Confident84.4Confident145 Ų14581.4 Ų81.464%0.63638%0.377SS*.Hα-helixtrans-61.4-31.7177.7-79.1-72.8000114L142 Y143 L144L142-F146 HydrophobicContact CD1-CD2 4.29Å; L142-F146 HydrophobicContact CD1-CE2 3.76Å; L142-F146 HydrophobicContact CG-CD2 4.25Å; L142-F146 HydrophobicContact CG-CE2 3.94Å; L142-F146 WeakPolarHBondContact O-CD2 3.42Å; L142-F146 PolarHBondContact O-N 2.87Å; L142-F146 VanDerWaalsContact O-N 3.13Å; Y143-F146 PolarHBondContact O-N 2.89Å; L144-F146 PolarHBondContact O-N 3.48Å
147L82.9Confident83.5Confident35 Ų3586.7 Ų86.718%0.18340%0.4CS..Hα-helixtrans-72.4-28.6175.3-71.9-170.2000113.8Y143 L144 T145 Q253Y143-L147 HydrophobicContact CD1-CD1 4.06Å; Y143-L147 HydrophobicContact CD1-CG 4.38Å; Y143-L147 HydrophobicContact CE1-CD1 3.27Å; Y143-L147 HydrophobicContact CE1-CG 3.89Å; Y143-L147 HydrophobicContact CE2-CD1 4.44Å; Y143-L147 HydrophobicContact CE2-CD2 4.42Å; Y143-L147 HydrophobicContact CE2-CG 4.34Å; Y143-L147 PolarHBondContact O-N 2.83Å; Y143-L147 VanDerWaalsContact O-N 3.1Å; L144-L147 PolarHBondContact O-N 3.3Å; L144-L147 VanDerWaalsContact O-N 3.14Å; T145-L147 VanDerWaalsContact C-N 3.26Å; T145-L147 PolarHBondContact O-N 3.21Å; L147-Q253 HydrophobicContact CB-CG 4.4Å; L147-Q253 HydrophobicContact CD1-CG 4.31Å; L147-Q253 HydrophobicContact CD2-CG 4.08Å
148E85.1Confident82.3Confident140 Ų14086.5 Ų86.565%0.65440%0.402SS*.Hα-helixtrans-92.5-11-179.5-69.8-179.4-174.800113L144 T145 A250L144-E148 WeakPolarHBondContact O-CG 3.23Å; L144-E148 PolarHBondContact O-N 3.44Å; T145-E148 PolarHBondContact O-N 2.89Å; T145-E148 VanDerWaalsContact O-N 3.09Å; E148-A250 HydrophobicContact CG-CB 4.37Å
149Y87.5Confident81.2Confident130 Ų13091.5 Ų91.551%0.5142%0.424SS..SBendtrans-62.2138176.6-101.9-123.4000111.6T145 G151 D249T145-Y149 HydrophobicContact CG2-CD2 3.7Å; T145-Y149 HydrophobicContact CG2-CE2 3.24Å; T145-Y149 WeakPolarHBondContact O-CD2 3.32Å; T145-Y149 PolarHBondContact O-N 2.84Å; Y149-G151 PolarHBondContact O-N 2.73Å; Y149-D249 WeakPolarHBondContact O-CB 3.41Å
150D86.4Confident79.6Confident74 Ų7494.5 Ų94.540%0.39646%0.455SS..  trans-70.1109.7169.8-178.9-3.9000109.4N152 L153D150-N152 PolarHBondContact O-N 2.81Å; D150-N152 VanDerWaalsContact O-N 3.13Å; D150-N152 VanDerWaalsContact OD1-CB 3.22Å; D150-N152 WeakPolarHBondContact OD1-CB 3.47Å; D150-N152 PolarHBondContact OD1-N 3.35Å; D150-N152 PolarHBondContact OD1-ND2 3.1Å; D150-N152 VanDerWaalsContact OD1-ND2 3.15Å; D150-L153 HydrophobicContact CB-CD1 4.24Å; D150-L153 HydrophobicContact CB-CG 4.18Å; D150-L153 WeakPolarHBondContact O-CB 3.35Å; D150-L153 PolarHBondContact O-N 3.03Å
151G85.8Confident78.1Confident15 Ų1593.9 Ų93.916%0.15547%0.466CS..G310 helixtrans-61.1-20.7179.500000113.5Y149 L153 L154 D249Y149-G151 PolarHBondContact O-N 2.73Å; G151-L153 PolarHBondContact O-N 3.39Å; G151-L154 WeakPolarHBondContact O-CB 3.4Å; G151-L154 PolarHBondContact O-N 3.2Å; G151-L154 VanDerWaalsContact O-N 3.15Å; G151-D249 PolarHBondContact N-OD2 3.11Å
152N82Confident76.8Confident8 Ų896.5 Ų96.54%0.04349%0.488CS..G310 helixtrans-68.1-22.2176.1-61.9-44.6000112.4D150 L154 R155 K278D150-N152 PolarHBondContact O-N 2.81Å; D150-N152 VanDerWaalsContact O-N 3.13Å; D150-N152 VanDerWaalsContact OD1-CB 3.22Å; D150-N152 WeakPolarHBondContact OD1-CB 3.47Å; D150-N152 PolarHBondContact OD1-N 3.35Å; D150-N152 PolarHBondContact OD1-ND2 3.1Å; D150-N152 VanDerWaalsContact OD1-ND2 3.15Å; N152-L154 PolarHBondContact O-N 2.99Å; N152-R155 WeakPolarHBondContact O-CB 3.4Å; N152-R155 PolarHBondContact O-N 2.79Å; N152-R155 VanDerWaalsContact O-N 3.14Å; N152-K278 PolarHBondContact ND2-O 3.3Å
153L80.7Confident75.4Confident65 Ų6598.1 Ų98.134%0.3450%0.503SS..G310 helixtrans-61-33.2172.1-67.2174000111.8D150 G151 R155 R156 L158D150-L153 HydrophobicContact CB-CD1 4.24Å; D150-L153 HydrophobicContact CB-CG 4.18Å; D150-L153 WeakPolarHBondContact O-CB 3.35Å; D150-L153 PolarHBondContact O-N 3.03Å; G151-L153 PolarHBondContact O-N 3.39Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.32Å; L153-R156 PolarHBondContact O-N 3.02Å; L153-L158 HydrophobicContact CB-CD1 4.24Å; L153-L158 VanDerWaalsContact O-CD1 3.26Å; L153-L158 WeakPolarHBondContact O-CD1 3.43Å; L153-L158 WeakPolarHBondContact O-CG 3.36Å
154L77.5Confident73.9Confident143 Ų143103.1 Ų103.175%0.74953%0.53SS*.G310 helixtrans-73.5-20.4179-58.5178.1000112.9G151 N152G151-L154 WeakPolarHBondContact O-CB 3.4Å; G151-L154 PolarHBondContact O-N 3.2Å; G151-L154 VanDerWaalsContact O-N 3.15Å; N152-L154 PolarHBondContact O-N 2.99Å
155R73.8Confident72.5Confident114 Ų114103.3 Ų103.343%0.4354%0.539SS..G310 helixtrans-77.1-22.8175-71.8177.7159.1-167.8-13.8113.1N152 L153 E157 V195 R197 E279N152-R155 WeakPolarHBondContact O-CB 3.4Å; N152-R155 PolarHBondContact O-N 2.79Å; N152-R155 VanDerWaalsContact O-N 3.14Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.32Å; R155-E157 PolarHBondContact O-N 3.48Å; R155-V195 PolarHBondContact NH1-O 3.01Å; R155-R197 VanDerWaalsContact NH1-N 3.19Å; R155-E279 IonicContact NH1-OE2 3.37Å
156R67.8Low71.2Confident174 Ų174104.9 Ų104.966%0.65755%0.546SS*.SBendtrans-77.218.8-174.4-66.5-177179-176.8-0.3113.9L153 L158L153-R156 PolarHBondContact O-N 3.02Å; R156-L158 HydrophobicContact CB-CD2 4.43Å; R156-L158 PolarHBondContact O-N 3.09Å
157E63.5Low70.1Confident140 Ų140102.6 Ų102.665%0.65455%0.545SS*.  trans37.851.7-175.5-65.5-170.4169.500112.7R155 F159R155-E157 PolarHBondContact O-N 3.48Å; E157-F159 CarbonylContact O-C 3.55Å; E157-F159 PolarHBondContact O-N 3.22Å
158L62.2Low69Low107 Ų107107 Ų10756%0.5657%0.569SS**SBendtrans-56-19.7-178.5-67173.3000112.7L153 R156L153-L158 HydrophobicContact CB-CD1 4.24Å; L153-L158 VanDerWaalsContact O-CD1 3.26Å; L153-L158 WeakPolarHBondContact O-CD1 3.43Å; L153-L158 WeakPolarHBondContact O-CG 3.36Å; R156-L158 HydrophobicContact CB-CD2 4.43Å; R156-L158 PolarHBondContact O-N 3.09Å
159F63.5Low68Low182 Ų182103.1 Ų103.180%0.79856%0.557SS**SBendtrans-12699.7171.2-50.2-75.7000108E157 C161E157-F159 CarbonylContact O-C 3.55Å; E157-F159 PolarHBondContact O-N 3.22Å; F159-C161 PolarHBondContact O-N 3.22Å
160G55.9Low67Low63 Ų63102.6 Ų102.665%0.64956%0.56SS**  trans-62.6124.9177.800000111.1
161C58.2Low66.2Low93 Ų93103.9 Ų103.963%0.62857%0.567SS**  trans-90.4140.6159.8-69.80000107.8F159 S163F159-C161 PolarHBondContact O-N 3.22Å; C161-S163 PolarHBondContact O-N 3.31Å
162P61.7Low65.4Low145 Ų145105.9 Ų105.994%0.94257%0.573SS**SBendtrans-71.773.6168.929.2-32000108.9
163S59.8Low64.8Low83 Ų83111.8 Ų111.858%0.5860%0.6SS**  trans-118.7151.1173.342.40000109.8C161C161-S163 PolarHBondContact O-N 3.31Å
164E57.5Low64.6Low196 Ų196114.5 Ų114.592%0.91661%0.61SS**PPolyproline II helixtrans-55.9138.5173.9-67.2179.316400110
165A57.7Low64.5Low59 Ų59109.4 Ų109.449%0.48859%0.585SS.*PPolyproline II helixtrans-58.6137.5-178.800000110.6P167 E170A165-P167 WeakPolarHBondContact O-CD 3.32Å; A165-E170 HydrophobicContact CB-CG 3.9Å; A165-E170 WeakPolarHBondContact CB-OE1 3.48Å
166D62Low64.7Low92 Ų92106.7 Ų106.749%0.49258%0.578SS.*PPolyproline II helixtrans-62.5122.6172.5-179-11.5000108.9N168 S169 E170D166-N168 PolarHBondContact O-N 3.29Å; D166-N168 WeakPolarHBondContact OD1-CB 3.25Å; D166-N168 PolarHBondContact OD1-N 3.15Å; D166-S169 WeakPolarHBondContact O-CA 3.26Å; D166-S169 VanDerWaalsContact O-CB 3.27Å; D166-S169 WeakPolarHBondContact O-CB 3.49Å; D166-S169 PolarHBondContact O-N 2.91Å; D166-E170 PolarHBondContact O-N 2.79Å; D166-E170 VanDerWaalsContact O-N 3.15Å
167P60.7Low65Low96 Ų96102.8 Ų102.862%0.62358%0.578SS**Hα-helixtrans-55.7-27.9179.8-3.90.9000113.6A165 N171A165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-N171 PolarHBondContact O-N 2.99Å
168N60.6Low65.9Low127 Ų127102.6 Ų102.668%0.67958%0.577SS**Hα-helixtrans-70.8-33.6174.8-72-42000112.5D166 L172D166-N168 PolarHBondContact O-N 3.29Å; D166-N168 WeakPolarHBondContact OD1-CB 3.25Å; D166-N168 PolarHBondContact OD1-N 3.15Å; N168-L172 WeakPolarHBondContact O-CB 3.35Å; N168-L172 PolarHBondContact O-N 3.24Å
169S64.1Low66.8Low59 Ų5998.9 Ų98.941%0.41356%0.557SS.*Hα-helixtrans-68.5-43.7175.5-174.80000110.6D166 N171 L172 Q173D166-S169 WeakPolarHBondContact O-CA 3.26Å; D166-S169 VanDerWaalsContact O-CB 3.27Å; D166-S169 WeakPolarHBondContact O-CB 3.49Å; D166-S169 PolarHBondContact O-N 2.91Å; S169-N171 PolarHBondContact O-N 3.06Å; S169-L172 PolarHBondContact O-N 3.22Å; S169-Q173 VanDerWaalsContact O-CB 3.31Å; S169-Q173 WeakPolarHBondContact O-CB 3.34Å; S169-Q173 PolarHBondContact O-N 3.48Å
170E66.1Low67.8Low120 Ų12095 Ų9556%0.56155%0.545SS*.Hα-helixtrans-60.8-42.6177.6-66.6-169.8155.700112.5A165 D166 Q173 K174A165-E170 HydrophobicContact CB-CG 3.9Å; A165-E170 WeakPolarHBondContact CB-OE1 3.48Å; D166-E170 PolarHBondContact O-N 2.79Å; D166-E170 VanDerWaalsContact O-N 3.15Å; E170-Q173 PolarHBondContact O-N 2.97Å; E170-K174 WeakPolarHBondContact O-CB 3.47Å; E170-K174 PolarHBondContact O-N 3.06Å
171N68.3Low69.2Low101 Ų10199.3 Ų99.354%0.5455%0.548SS..Hα-helixtrans-70.1-38.3-179.6-161.715000112.5P167 S169 T175P167-N171 PolarHBondContact O-N 2.99Å; S169-N171 PolarHBondContact O-N 3.06Å; N171-T175 WeakPolarHBondContact O-CB 3.47Å; N171-T175 PolarHBondContact O-N 2.89Å; N171-T175 PolarHBondContact O-OG1 3.38Å
172L70.6Confident70.6Confident56 Ų56101.8 Ų101.829%0.29356%0.555SS.*Hα-helixtrans-63.9-44.7172.9179.962.6000110.8N168 S169 K174 T175 L176 F193 V195N168-L172 WeakPolarHBondContact O-CB 3.35Å; N168-L172 PolarHBondContact O-N 3.24Å; S169-L172 PolarHBondContact O-N 3.22Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.41Å; L172-T175 PolarHBondContact O-N 2.77Å; L172-L176 HydrophobicContact CD1-CD1 4.23Å; L172-L176 HydrophobicContact CD1-CG 4.24Å; L172-L176 HydrophobicContact CG-CD1 3.98Å; L172-L176 HydrophobicContact CG-CG 4.41Å; L172-L176 WeakPolarHBondContact O-CB 3.44Å; L172-L176 VanDerWaalsContact O-CG 3.32Å; L172-L176 WeakPolarHBondContact O-CG 3.45Å; L172-L176 PolarHBondContact O-N 2.96Å; L172-F193 HydrophobicContact CD1-CB 4.09Å; L172-F193 WeakPolarHBondContact CD1-O 3.34Å; L172-V195 HydrophobicContact CD1-CG2 4.49Å; L172-V195 HydrophobicContact CD2-CG2 4.07Å
173Q69.6Low71.9Confident132 Ų13296.5 Ų96.562%0.61752%0.519SS*.Hα-helixtrans-65.3-38.1179.9-166.1146.8-13.700111.9S169 E170 L176 S177S169-Q173 VanDerWaalsContact O-CB 3.31Å; S169-Q173 WeakPolarHBondContact O-CB 3.34Å; S169-Q173 PolarHBondContact O-N 3.48Å; E170-Q173 PolarHBondContact O-N 2.97Å; Q173-L176 PolarHBondContact O-N 2.68Å; Q173-S177 WeakPolarHBondContact O-CB 3.42Å; Q173-S177 PolarHBondContact O-N 2.97Å; Q173-S177 PolarHBondContact O-OG 3.41Å
174K75.3Confident73.3Confident123 Ų12397.1 Ų97.154%0.53552%0.521SS..Hα-helixtrans-60.5-49.7170.3-173.7-179.1177-175.60111.5E170 L172 L176 S177 E178E170-K174 WeakPolarHBondContact O-CB 3.47Å; E170-K174 PolarHBondContact O-N 3.06Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.41Å; K174-L176 VanDerWaalsContact C-N 3.31Å; K174-L176 PolarHBondContact O-N 3.22Å; K174-S177 WeakPolarHBondContact CA-OG 3.44Å; K174-S177 PolarHBondContact O-N 2.87Å; K174-S177 VanDerWaalsContact O-N 3.15Å; K174-S177 PolarHBondContact O-OG 3.43Å; K174-E178 WeakPolarHBondContact CE-OE1 3.37Å; K174-E178 WeakPolarHBondContact O-CG 3.46Å; K174-E178 PolarHBondContact O-N 2.88Å
175T76.6Confident75Confident36 Ų3688 Ų8822%0.22148%0.479CS..Hα-helixtrans-62.2-38.8179.9-53.10000112.1N171 L172 E178 F193N171-T175 WeakPolarHBondContact O-CB 3.47Å; N171-T175 PolarHBondContact O-N 2.89Å; N171-T175 PolarHBondContact O-OG1 3.38Å; L172-T175 PolarHBondContact O-N 2.77Å; T175-E178 PolarHBondContact O-N 3.15Å; T175-F193 HydrophobicContact CG2-CD1 3.63Å; T175-F193 HydrophobicContact CG2-CD2 4.41Å; T175-F193 HydrophobicContact CG2-CE1 3.52Å; T175-F193 HydrophobicContact CG2-CE2 4.32Å; T175-F193 HydrophobicContact CG2-CG 4.08Å; T175-F193 HydrophobicContact CG2-CZ 3.88Å
176L77.4Confident76.7Confident57 Ų5787.2 Ų87.230%0.29846%0.464SS..Hα-helixtrans-69.8-36.4175.4-70.6172.9000112L172 Q173 K174 E178 L179 R190 F193L172-L176 HydrophobicContact CD1-CD1 4.23Å; L172-L176 HydrophobicContact CD1-CG 4.24Å; L172-L176 HydrophobicContact CG-CD1 3.98Å; L172-L176 HydrophobicContact CG-CG 4.41Å; L172-L176 WeakPolarHBondContact O-CB 3.44Å; L172-L176 VanDerWaalsContact O-CG 3.32Å; L172-L176 WeakPolarHBondContact O-CG 3.45Å; L172-L176 PolarHBondContact O-N 2.96Å; Q173-L176 PolarHBondContact O-N 2.68Å; K174-L176 VanDerWaalsContact C-N 3.31Å; K174-L176 PolarHBondContact O-N 3.22Å; L176-E178 PolarHBondContact O-N 3.05Å; L176-L179 HydrophobicContact CD2-CD1 4.09Å; L176-L179 WeakPolarHBondContact O-CB 3.22Å; L176-L179 PolarHBondContact O-N 3.43Å; L176-R190 HydrophobicContact CD2-CG 3.98Å; L176-F193 HydrophobicContact CD2-CB 4.26Å
177S74.1Confident78Confident92 Ų9285.6 Ų85.664%0.64345%0.453SS*.Hα-helixtrans-69.8-20.5175.869.80000113.9Q173 K174 L179Q173-S177 WeakPolarHBondContact O-CB 3.42Å; Q173-S177 PolarHBondContact O-N 2.97Å; Q173-S177 PolarHBondContact O-OG 3.41Å; K174-S177 WeakPolarHBondContact CA-OG 3.44Å; K174-S177 PolarHBondContact O-N 2.87Å; K174-S177 VanDerWaalsContact O-N 3.15Å; K174-S177 PolarHBondContact O-OG 3.43Å; S177-L179 VanDerWaalsContact C-N 3.28Å
178E81.3Confident79.5Confident135 Ų13581.5 Ų81.563%0.63143%0.425SS*.THydrogen-bonded Turntrans-79.9-9.8173.4-71.8173-172.900112.6K174 T175 L176K174-E178 WeakPolarHBondContact CE-OE1 3.37Å; K174-E178 WeakPolarHBondContact O-CG 3.46Å; K174-E178 PolarHBondContact O-N 2.88Å; T175-E178 PolarHBondContact O-N 3.15Å; L176-E178 PolarHBondContact O-N 3.05Å
179L82.5Confident80.9Confident29 Ų2978.3 Ų78.315%0.15240%0.404CS..SBendtrans-78.8129.5174-66.2176.5000110.5L176 S177 E181 Y186 R189 R190 F193L176-L179 HydrophobicContact CD2-CD1 4.09Å; L176-L179 WeakPolarHBondContact O-CB 3.22Å; L176-L179 PolarHBondContact O-N 3.43Å; S177-L179 VanDerWaalsContact C-N 3.28Å; L179-E181 PolarHBondContact O-N 2.74Å; L179-Y186 HydrophobicContact CB-CD2 4.15Å; L179-Y186 HydrophobicContact CB-CE2 3.87Å; L179-Y186 HydrophobicContact CD1-CE2 4.38Å; L179-R189 HydrophobicContact CD1-CB 4.42Å; L179-R189 HydrophobicContact CD2-CB 3.91Å; L179-R190 HydrophobicContact CD1-CB 4.41Å; L179-F193 HydrophobicContact CD1-CD2 4.13Å; L179-F193 HydrophobicContact CD1-CE2 4.34Å; L179-F193 HydrophobicContact CD2-CE2 4.12Å
180D84.9Confident82.1Confident102 Ų10278.8 Ų78.855%0.54540%0.397SS..  trans-70.2110.9171.2-176.24.4000109.9D182 D183 Y186D180-D182 PolarHBondContact O-N 3.18Å; D180-D182 WeakPolarHBondContact OD1-CB 3.35Å; D180-D182 PolarHBondContact OD1-N 2.66Å; D180-D183 HydrophobicContact CB-CB 4.24Å; D180-D183 WeakPolarHBondContact O-CB 3.46Å; D180-D183 PolarHBondContact O-N 3.24Å; D180-Y186 WeakPolarHBondContact O-CD2 2.95Å
181E84Confident83.1Confident152 Ų15273.4 Ų73.471%0.7137%0.372SS*.THydrogen-bonded Turntrans-64.8-23.5177.8-66.6-169.8169.200112.4L179 D183 Y186L179-E181 PolarHBondContact O-N 2.74Å; E181-D183 VanDerWaalsContact C-N 3.27Å; E181-Y186 HydrophobicContact CB-CE2 4.43Å; E181-Y186 HydrophobicContact CG-CE2 3.9Å
182D87.2Confident84Confident146 Ų14673.7 Ų73.778%0.78137%0.365SS*.THydrogen-bonded Turntrans-82.3-5.6175.5-67.9-39.1000112.2D180 P184D180-D182 PolarHBondContact O-N 3.18Å; D180-D182 WeakPolarHBondContact OD1-CB 3.35Å; D180-D182 PolarHBondContact OD1-N 2.66Å; D182-P184 VanDerWaalsContact O-CD 3.28Å; D182-P184 WeakPolarHBondContact O-CD 3.21Å
183D89.8Confident84.6Confident34 Ų3473.5 Ų73.518%0.18236%0.362CS..  trans-61.7121.2174.4-172.6-29.3000109.6D180 E181 C185 Y186 R189D180-D183 HydrophobicContact CB-CB 4.24Å; D180-D183 WeakPolarHBondContact O-CB 3.46Å; D180-D183 PolarHBondContact O-N 3.24Å; E181-D183 VanDerWaalsContact C-N 3.27Å; D183-C185 PolarHBondContact O-N 2.95Å; D183-C185 WeakPolarHBondContact OD1-CA 3.49Å; D183-C185 WeakPolarHBondContact OD1-CB 3.44Å; D183-C185 PolarHBondContact OD1-N 3.22Å; D183-Y186 WeakPolarHBondContact O-CB 3.11Å; D183-Y186 PolarHBondContact O-N 3.36Å; D183-R189 IonicContact OD2-CZ 2.69Å; D183-R189 IonicContact OD2-NE 3.36Å; D183-R189 PolarHBondContact OD2-NE 3.06Å; D183-R189 IonicContact OD2-NH2 3.99Å; D183-R189 PolarHBondContact OD2-NH2 3.34Å
184P89.9Confident85.4Confident95 Ų9568.1 Ų68.162%0.61734%0.338SS*.THydrogen-bonded Turntrans-57.4-15.2177.4-24.434.8000114.6D182 Q464 C468D182-P184 VanDerWaalsContact O-CD 3.28Å; D182-P184 WeakPolarHBondContact O-CD 3.21Å; P184-Q464 PolarHBondContact O-NE2 3.15Å; P184-C468 PolarHBondContact O-SG 2.85Å
185C93.3Very high86Confident6 Ų666.5 Ų66.54%0.04134%0.338CS..THydrogen-bonded Turntrans-110.813.1178.1-57.10000113.9D183 E187 F188 R189 C468D183-C185 PolarHBondContact O-N 2.95Å; D183-C185 WeakPolarHBondContact OD1-CA 3.49Å; D183-C185 WeakPolarHBondContact OD1-CB 3.44Å; D183-C185 PolarHBondContact OD1-N 3.22Å; C185-E187 VanDerWaalsContact C-N 3.26Å; C185-E187 PolarHBondContact O-N 2.69Å; C185-F188 PolarHBondContact O-N 3.31Å; C185-R189 PolarHBondContact O-N 3.3Å; C185-R189 VanDerWaalsContact O-N 3.16Å; C185-C468 WeakPolarHBondContact CA-SG 3.39Å; C185-C468 HydrophobicContact CB-CB 3.77Å; C185-C468 WeakPolarHBondContact CB-SG 3.39Å; C185-C468 WeakPolarHBondContact SG-CA 3.3Å; C185-C468 WeakPolarHBondContact SG-CB 3.2Å; C185-C468 CovalentContact SG-SG 2.05Å; C185-C468 PolarHBondContact SG-SG 3.26Å
186Y91.4Very high86.7Confident42 Ų4265.4 Ų65.417%0.16533%0.331CS..Hα-helixtrans-45.6-47178.6175-98.4000113L179 D180 E181 D183 F188 R189 R190L179-Y186 HydrophobicContact CB-CD2 4.15Å; L179-Y186 HydrophobicContact CB-CE2 3.87Å; L179-Y186 HydrophobicContact CD1-CE2 4.38Å; D180-Y186 WeakPolarHBondContact O-CD2 2.95Å; E181-Y186 HydrophobicContact CB-CE2 4.43Å; E181-Y186 HydrophobicContact CG-CE2 3.9Å; D183-Y186 WeakPolarHBondContact O-CB 3.11Å; D183-Y186 PolarHBondContact O-N 3.36Å; Y186-F188 VanDerWaalsContact C-N 3.32Å; Y186-F188 PolarHBondContact O-N 3.05Å; Y186-R189 CarbonylContact O-C 3.49Å; Y186-R189 PolarHBondContact O-N 3.45Å; Y186-R190 HydrophobicContact CE1-CB 4.46Å; Y186-R190 WeakPolarHBondContact O-CB 3.24Å; Y186-R190 PolarHBondContact O-N 2.69Å
187E89.8Confident87.5Confident58 Ų5865.3 Ų65.327%0.27133%0.326SS..Hα-helixtrans-59.9-38.2-178.7-70.8-68.7134.500112.9C185 R190 E191 F282C185-E187 VanDerWaalsContact C-N 3.26Å; C185-E187 PolarHBondContact O-N 2.69Å; E187-R190 IonicContact OE1-CZ 2.66Å; E187-R190 IonicContact OE1-NH1 3.16Å; E187-R190 PolarHBondContact OE1-NH1 3.26Å; E187-R190 IonicContact OE1-NH2 2.72Å; E187-R190 PolarHBondContact OE1-NH2 2.98Å; E187-R190 IonicContact OE2-CZ 3.24Å; E187-R190 IonicContact OE2-NH1 2.69Å; E187-R190 IonicContact OE2-NH2 2.98Å; E187-R190 PolarHBondContact OE2-NH2 3.34Å; E187-E191 WeakPolarHBondContact O-CG 3.35Å; E187-E191 PolarHBondContact O-N 2.87Å; E187-F282 HydrophobicContact CB-CE2 4Å
188F92Very high88.6Confident9 Ų963.7 Ų63.74%0.03931%0.313CS..Hα-helixtrans-68.8-41.5173.4-80.1-102.6000111.8C185 Y186 E191 R192 F282 V417 Y465 C468 L472C185-F188 PolarHBondContact O-N 3.31Å; Y186-F188 VanDerWaalsContact C-N 3.32Å; Y186-F188 PolarHBondContact O-N 3.05Å; F188-E191 PolarHBondContact O-N 2.83Å; F188-R192 PolarHBondContact O-N 3.45Å; F188-F282 HydrophobicContact CD2-CE2 4.4Å; F188-F282 HydrophobicContact CD2-CZ 4.08Å; F188-F282 HydrophobicContact CE2-CE1 4.2Å; F188-F282 AromaticContact CE2-CZ 3.84Å; F188-F282 HydrophobicContact CE2-CZ 3.84Å; F188-F282 HydrophobicContact CZ-CE1 4.19Å; F188-F282 HydrophobicContact CZ-CZ 4.26Å; F188-V417 HydrophobicContact CD1-CG2 3.62Å; F188-V417 HydrophobicContact CE1-CG2 4.04Å; F188-V417 HydrophobicContact CG-CG2 4.37Å; F188-Y465 HydrophobicContact CE1-CE1 4.39Å; F188-Y465 HydrophobicContact CE1-CE2 4.1Å; F188-Y465 AromaticContact CE1-CZ 3.95Å; F188-Y465 HydrophobicContact CE2-CD2 4.03Å; F188-Y465 HydrophobicContact CE2-CE2 4.27Å; F188-Y465 HydrophobicContact CE2-CG 4.32Å; F188-Y465 HydrophobicContact CZ-CD1 4.01Å; F188-Y465 AromaticContact CZ-CD2 3.53Å; F188-Y465 HydrophobicContact CZ-CD2 3.53Å; F188-Y465 AromaticContact CZ-CE1 3.9Å; F188-Y465 HydrophobicContact CZ-CE1 3.9Å; F188-Y465 AromaticContact CZ-CE2 3.41Å; F188-Y465 HydrophobicContact CZ-CE2 3.41Å; F188-Y465 VanDerWaalsContact CZ-CE2 3.41Å; F188-Y465 AromaticContact CZ-CG 3.81Å; F188-Y465 HydrophobicContact CZ-CG 3.81Å; F188-Y465 AromaticContact CZ-CZ 3.57Å; F188-C468 HydrophobicContact CD2-CB 3.91Å; F188-C468 HydrophobicContact CE2-CB 3.87Å; F188-C468 HydrophobicContact CZ-CB 4.46Å; F188-L472 HydrophobicContact CB-CD1 3.82Å; F188-L472 HydrophobicContact CD1-CD1 3.64Å; F188-L472 HydrophobicContact CE1-CD1 4.41Å; F188-L472 HydrophobicContact CG-CD1 3.92Å
189R90.9Very high89.3Confident60 Ų6061.2 Ų61.223%0.22630%0.301CS..Hα-helixtrans-65.9-40.9-179.3-63.8-166.5-170.6-82.84111.3L179 D183 C185 Y186 E191 R192 F193 E475L179-R189 HydrophobicContact CD1-CB 4.42Å; L179-R189 HydrophobicContact CD2-CB 3.91Å; D183-R189 IonicContact OD2-CZ 2.69Å; D183-R189 IonicContact OD2-NE 3.36Å; D183-R189 PolarHBondContact OD2-NE 3.06Å; D183-R189 IonicContact OD2-NH2 3.99Å; D183-R189 PolarHBondContact OD2-NH2 3.34Å; C185-R189 PolarHBondContact O-N 3.3Å; C185-R189 VanDerWaalsContact O-N 3.16Å; Y186-R189 CarbonylContact O-C 3.49Å; Y186-R189 PolarHBondContact O-N 3.45Å; R189-E191 PolarHBondContact O-N 3.24Å; R189-R192 VanDerWaalsContact O-CB 3.28Å; R189-R192 WeakPolarHBondContact O-CB 3.43Å; R189-R192 PolarHBondContact O-N 3.2Å; R189-F193 WeakPolarHBondContact O-CD2 3.38Å; R189-F193 WeakPolarHBondContact O-CE2 3.4Å; R189-E475 IonicContact CZ-OE1 3.12Å; R189-E475 IonicContact CZ-OE2 3.4Å; R189-E475 IonicContact NH1-OE1 3.25Å; R189-E475 PolarHBondContact NH1-OE1 3.33Å; R189-E475 IonicContact NH1-OE2 2.8Å; R189-E475 PolarHBondContact NH1-OE2 2.03Å; R189-E475 IonicContact NH2-OE1 2.93Å; R189-E475 PolarHBondContact NH2-OE1 3.04Å; R189-E475 IonicContact NH2-OE2 3.62Å
190R88.6Confident90.1Very high70 Ų7063.1 Ų63.126%0.26431%0.311SS..Hα-helixtrans-60.7-45.1176.8-166.4-178.172.8-141.7-11.8111.2L176 L179 Y186 E187 R192 F193 T194L176-R190 HydrophobicContact CD2-CG 3.98Å; L179-R190 HydrophobicContact CD1-CB 4.41Å; Y186-R190 HydrophobicContact CE1-CB 4.46Å; Y186-R190 WeakPolarHBondContact O-CB 3.24Å; Y186-R190 PolarHBondContact O-N 2.69Å; E187-R190 IonicContact OE1-CZ 2.66Å; E187-R190 IonicContact OE1-NH1 3.16Å; E187-R190 PolarHBondContact OE1-NH1 3.26Å; E187-R190 IonicContact OE1-NH2 2.72Å; E187-R190 PolarHBondContact OE1-NH2 2.98Å; E187-R190 IonicContact OE2-CZ 3.24Å; E187-R190 IonicContact OE2-NH1 2.69Å; E187-R190 IonicContact OE2-NH2 2.98Å; E187-R190 PolarHBondContact OE2-NH2 3.34Å; R190-R192 PolarHBondContact O-N 3.34Å; R190-F193 PolarHBondContact O-N 3Å; R190-T194 PolarHBondContact O-N 2.79Å; R190-T194 PolarHBondContact O-OG1 2.98Å
191E87.9Confident90.7Very high7 Ų761.7 Ų61.73%0.03330%0.298CS..Hα-helixtrans-60.8-28.3-179.6-72.9-51.616200114.1E187 F188 R189 F193 T194 G280 Q281 F282 V417E187-E191 WeakPolarHBondContact O-CG 3.35Å; E187-E191 PolarHBondContact O-N 2.87Å; F188-E191 PolarHBondContact O-N 2.83Å; R189-E191 PolarHBondContact O-N 3.24Å; E191-F193 PolarHBondContact O-N 3.26Å; E191-T194 WeakPolarHBondContact CA-OG1 2.95Å; E191-T194 PolarHBondContact O-N 3.02Å; E191-T194 PolarHBondContact OE2-OG1 2.95Å; E191-G280 WeakPolarHBondContact OE1-CA 3.09Å; E191-Q281 PolarHBondContact OE1-N 3.17Å; E191-F282 HydrophobicContact CG-CB 4.45Å; E191-F282 HydrophobicContact CG-CD2 3.64Å; E191-F282 HydrophobicContact CG-CE2 4.43Å; E191-V417 HydrophobicContact CB-CG1 4.03Å; E191-V417 HydrophobicContact CB-CG2 4.3Å
192R85.9Confident91.3Very high106 Ų10656 Ų5640%0.427%0.271SS..Hα-helixtrans-57.5-33.7175-177-172.8174.2179.8-3.4111.8F188 R189 R190 R414F188-R192 PolarHBondContact O-N 3.45Å; R189-R192 VanDerWaalsContact O-CB 3.28Å; R189-R192 WeakPolarHBondContact O-CB 3.43Å; R189-R192 PolarHBondContact O-N 3.2Å; R190-R192 PolarHBondContact O-N 3.34Å; R192-R414 HydrophobicContact CG-CB 4.25Å; R192-R414 VanDerWaalsContact O-CZ 3.26Å; R192-R414 PolarHBondContact O-NE 3.13Å; R192-R414 PolarHBondContact O-NH2 3.17Å
193F84.9Confident91.7Very high53 Ų5350.6 Ų50.623%0.23224%0.242CC..Hα-helixtrans-100.3-8.6-174.5-56.9-72.4000113.5L172 T175 L176 L179 R189 R190 E191 V195L172-F193 HydrophobicContact CD1-CB 4.09Å; L172-F193 WeakPolarHBondContact CD1-O 3.34Å; T175-F193 HydrophobicContact CG2-CD1 3.63Å; T175-F193 HydrophobicContact CG2-CD2 4.41Å; T175-F193 HydrophobicContact CG2-CE1 3.52Å; T175-F193 HydrophobicContact CG2-CE2 4.32Å; T175-F193 HydrophobicContact CG2-CG 4.08Å; T175-F193 HydrophobicContact CG2-CZ 3.88Å; L176-F193 HydrophobicContact CD2-CB 4.26Å; L179-F193 HydrophobicContact CD1-CD2 4.13Å; L179-F193 HydrophobicContact CD1-CE2 4.34Å; L179-F193 HydrophobicContact CD2-CE2 4.12Å; R189-F193 WeakPolarHBondContact O-CD2 3.38Å; R189-F193 WeakPolarHBondContact O-CE2 3.4Å; R190-F193 PolarHBondContact O-N 3Å; E191-F193 PolarHBondContact O-N 3.26Å; F193-V195 PolarHBondContact O-N 3.38Å
194T85.8Confident91.9Very high19 Ų1955.5 Ų55.512%0.11726%0.264CS..  trans-54130173.7-54.30000110.3R190 E191 H196 E279 R414R190-T194 PolarHBondContact O-N 2.79Å; R190-T194 PolarHBondContact O-OG1 2.98Å; E191-T194 WeakPolarHBondContact CA-OG1 2.95Å; E191-T194 PolarHBondContact O-N 3.02Å; E191-T194 PolarHBondContact OE2-OG1 2.95Å; T194-H196 VanDerWaalsContact CG2-CE1 3.4Å; T194-H196 WeakPolarHBondContact CG2-CE1 3.41Å; T194-E279 HydrophobicContact CG2-CB 4.45Å; T194-E279 HydrophobicContact CG2-CG 3.91Å; T194-R414 PolarHBondContact O-NH2 3.04Å
195V87.8Confident92.3Very high89 Ų8952.8 Ų52.854%0.53924%0.242SC..  trans-104.489.5178.9-1770000109.3R155 L172 F193R155-V195 PolarHBondContact NH1-O 3.01Å; L172-V195 HydrophobicContact CD1-CG2 4.49Å; L172-V195 HydrophobicContact CD2-CG2 4.07Å; F193-V195 PolarHBondContact O-N 3.38Å
196H92.3Very high92.4Very high13 Ų1358.8 Ų58.86%0.0627%0.269CS..  trans-65.2143.1-180-6373000112.2T194 T198 V276 Y277 E279 L287T194-H196 VanDerWaalsContact CG2-CE1 3.4Å; T194-H196 WeakPolarHBondContact CG2-CE1 3.41Å; H196-T198 PolarHBondContact O-N 3.21Å; H196-V276 HydrophobicContact CB-CG1 3.6Å; H196-Y277 PolarHBondContact CD2-O 3.08Å; H196-E279 PolarHBondContact NE2-O 3.21Å; H196-L287 HydrophobicContact CB-CD2 4.11Å; H196-L287 WeakPolarHBondContact ND1-CD2 3.39Å
197R93.4Very high92.6Very high55 Ų5559 Ų5921%0.20827%0.27CS..  trans-67.2132.5166.5-170.7167.851102.41.7108.5R155 D249 Y277R155-R197 VanDerWaalsContact NH1-N 3.19Å; R197-D249 IonicContact CZ-OD1 2.81Å; R197-D249 IonicContact CZ-OD2 3.97Å; R197-D249 IonicContact NH1-OD1 3.92Å; R197-D249 PolarHBondContact NH1-OD1 2.94Å; R197-D249 IonicContact NH2-OD1 2.76Å; R197-D249 PolarHBondContact NH2-OD1 3.14Å; R197-D249 IonicContact NH2-OD2 2.99Å; R197-D249 PolarHBondContact NH2-OD2 2.91Å; R197-Y277 HydrophobicContact CB-CD2 3.79Å; R197-Y277 HydrophobicContact CB-CG 4.36Å; R197-Y277 HydrophobicContact CG-CD2 3.75Å; R197-Y277 HydrophobicContact CG-CE2 4.16Å; R197-Y277 VanDerWaalsContact CZ-CE2 3.46Å; R197-Y277 VanDerWaalsContact CZ-CG 3.43Å; R197-Y277 PolarHBondContact NH1-OH 3.33Å; R197-Y277 WeakPolarHBondContact O-CD2 3.49Å; R197-Y277 PolarHBondContact O-N 3.42Å
198T96Very high92.8Very high57 Ų5764.5 Ų64.535%0.3530%0.296SS..EExtended strand (participates in β ladder)trans-130.9127.6-178.2-57.20000109.7H196 L200 V275 V276 V291H196-T198 PolarHBondContact O-N 3.21Å; T198-L200 HydrophobicContact CG2-CD2 3.62Å; T198-L200 HydrophobicContact CG2-CG 4.19Å; T198-V275 CarbonylContact C-O 3.14Å; T198-V275 VanDerWaalsContact CA-O 3.3Å; T198-V275 WeakPolarHBondContact CA-O 3.49Å; T198-V276 HydrophobicContact CG2-CG2 4.1Å; T198-V291 HydrophobicContact CG2-CG1 4.01Å
199H97.1Very high92.9Very high83 Ų8367.4 Ų67.438%0.38432%0.315SS..EExtended strand (participates in β ladder)trans-109.3100.4171.7-170.3150.4000108F202 H274 V275 Y277H199-F202 HydrophobicContact CB-CD2 4.43Å; H199-F202 AromaticContact CE1-CD2 3.65Å; H199-F202 AromaticContact CG-CD2 3.79Å; H199-F202 AromaticContact ND1-CD2 3.53Å; H199-F202 AromaticContact NE2-CD2 3.98Å; H199-H274 CarbonylContact O-C 3.57Å; H199-H274 WeakPolarHBondContact O-CA 3.05Å; H199-V275 HydrophobicContact CB-CB 4.34Å; H199-V275 PolarHBondContact N-O 3.03Å; H199-V275 PolarHBondContact O-N 2.67Å; H199-Y277 HydrophobicContact CB-CE2 3.98Å
200L98.3Very high92.9Very high70 Ų7066 Ų6637%0.36632%0.315SS..THydrogen-bonded Turntrans-76138.8177.7-58176.7000110.2T198 H274 V291 Q295T198-L200 HydrophobicContact CG2-CD2 3.62Å; T198-L200 HydrophobicContact CG2-CG 4.19Å; L200-H274 HydrophobicContact CD2-CB 4.08Å; L200-V291 HydrophobicContact CD2-CG1 4.2Å; L200-Q295 HydrophobicContact CD2-CG 3.92Å
201Y97.5Very high93Very high71 Ų7168.7 Ų68.728%0.27834%0.344SS..THydrogen-bonded Turntrans55.652.6179.1-50.7-75.3000111.8L203 Y205 Y273 H274 Q295Y201-L203 CarbonylContact C-O 3.51Å; Y201-L203 PolarHBondContact O-N 2.66Å; Y201-L203 VanDerWaalsContact O-N 3.17Å; Y201-Y205 VanDerWaalsContact CD1-CB 3.45Å; Y201-Y205 AromaticContact CD1-CD1 3.67Å; Y201-Y205 HydrophobicContact CD1-CD1 3.67Å; Y201-Y205 AromaticContact CD1-CG 3.65Å; Y201-Y205 HydrophobicContact CD1-CG 3.65Å; Y201-Y205 AromaticContact CE1-CD1 3.27Å; Y201-Y205 HydrophobicContact CE1-CD1 3.27Å; Y201-Y205 HydrophobicContact CE1-CD2 4.47Å; Y201-Y205 AromaticContact CE1-CE1 3.77Å; Y201-Y205 HydrophobicContact CE1-CE1 3.77Å; Y201-Y205 AromaticContact CE1-CG 3.65Å; Y201-Y205 HydrophobicContact CE1-CG 3.65Å; Y201-Y273 CarbonylContact C-O 3.58Å; Y201-Y273 VanDerWaalsContact CA-O 3.31Å; Y201-Y273 WeakPolarHBondContact CA-O 3.38Å; Y201-Y273 PolarHBondContact N-O 2.83Å; Y201-Y273 VanDerWaalsContact N-O 3.11Å; Y201-H274 AromaticContact CD1-CE1 3.63Å; Y201-H274 AromaticContact CE1-CE1 3.52Å; Y201-H274 AromaticContact CZ-CE1 3.78Å; Y201-H274 PolarHBondContact N-ND1 3.37Å; Y201-Q295 PolarHBondContact OH-O 3Å
202F97.2Very high93.2Very high32 Ų3272.8 Ų72.814%0.1437%0.366CS..SBendtrans-57.7-26.6178.6-175.7-109.7000113H199 A252 F255 L256 Y273 V275H199-F202 HydrophobicContact CB-CD2 4.43Å; H199-F202 AromaticContact CE1-CD2 3.65Å; H199-F202 AromaticContact CG-CD2 3.79Å; H199-F202 AromaticContact ND1-CD2 3.53Å; H199-F202 AromaticContact NE2-CD2 3.98Å; F202-A252 HydrophobicContact CZ-CB 4.16Å; F202-F255 HydrophobicContact CD1-CD1 4.03Å; F202-F255 HydrophobicContact CD1-CE1 4.22Å; F202-F255 HydrophobicContact CE1-CD1 4.12Å; F202-L256 HydrophobicContact CE1-CB 4.03Å; F202-L256 HydrophobicContact CZ-CB 4.42Å; F202-Y273 PolarHBondContact N-O 2.91Å; F202-V275 HydrophobicContact CB-CG2 3.73Å; F202-V275 HydrophobicContact CD1-CG2 3.84Å; F202-V275 HydrophobicContact CD2-CG2 4.02Å; F202-V275 HydrophobicContact CE1-CG2 4.46Å; F202-V275 HydrophobicContact CG-CG2 3.58Å
203L96.2Very high93.5Very high34 Ų3473.4 Ų73.418%0.17837%0.374CS..SBendtrans-119.2162.2167.6-53.9177.3000109.1Y201 Y205 F255 L256 A259 Y273Y201-L203 CarbonylContact C-O 3.51Å; Y201-L203 PolarHBondContact O-N 2.66Å; Y201-L203 VanDerWaalsContact O-N 3.17Å; L203-Y205 PolarHBondContact O-N 3.15Å; L203-F255 HydrophobicContact CD1-CE1 3.88Å; L203-F255 HydrophobicContact CD1-CZ 4.18Å; L203-F255 HydrophobicContact CG-CE1 4.37Å; L203-L256 HydrophobicContact CD2-CD1 3.39Å; L203-A259 HydrophobicContact CD1-CB 3.5Å; L203-A259 VanDerWaalsContact CD1-CB 3.5Å; L203-Y273 HydrophobicContact CB-CD2 3.8Å; L203-Y273 HydrophobicContact CB-CE2 4.36Å; L203-Y273 HydrophobicContact CD1-CD2 3.73Å; L203-Y273 HydrophobicContact CD1-CE2 3.84Å; L203-Y273 HydrophobicContact CD1-CG 4.2Å; L203-Y273 HydrophobicContact CG-CD2 4.06Å; L203-Y273 HydrophobicContact CG-CG 4.49Å
204H94.6Very high94.1Very high137 Ų13771.1 Ų71.163%0.63436%0.364SS*.  trans-51.6131.5177.7-175.968.8000110.9E206H204-E206 IonicContact CE1-OE2 3.44Å; H204-E206 IonicContact NE2-OE2 3.89Å; H204-E206 PolarHBondContact NE2-OE2 2.85Å
205Y97.1Very high94.7Very high38 Ų3870.3 Ų70.315%0.14936%0.359CS..  trans-132.5130.7176.6173.4-101.5000109.5Y201 L203 Y207 G269 V271Y201-Y205 VanDerWaalsContact CD1-CB 3.45Å; Y201-Y205 AromaticContact CD1-CD1 3.67Å; Y201-Y205 HydrophobicContact CD1-CD1 3.67Å; Y201-Y205 AromaticContact CD1-CG 3.65Å; Y201-Y205 HydrophobicContact CD1-CG 3.65Å; Y201-Y205 AromaticContact CE1-CD1 3.27Å; Y201-Y205 HydrophobicContact CE1-CD1 3.27Å; Y201-Y205 HydrophobicContact CE1-CD2 4.47Å; Y201-Y205 AromaticContact CE1-CE1 3.77Å; Y201-Y205 HydrophobicContact CE1-CE1 3.77Å; Y201-Y205 AromaticContact CE1-CG 3.65Å; Y201-Y205 HydrophobicContact CE1-CG 3.65Å; L203-Y205 PolarHBondContact O-N 3.15Å; Y205-Y207 WeakPolarHBondContact OH-CB 3.27Å; Y205-G269 WeakPolarHBondContact CA-O 3.41Å; Y205-V271 VanDerWaalsContact CD2-C 3.49Å
206E95.3Very high95.2Very high131 Ų13166.1 Ų66.161%0.61233%0.334SS*.  trans-149.8117.1-179.4-173.5172-175.300108.9H204 G269H204-E206 IonicContact CE1-OE2 3.44Å; H204-E206 IonicContact NE2-OE2 3.89Å; H204-E206 PolarHBondContact NE2-OE2 2.85Å; E206-G269 PolarHBondContact N-O 3.42Å; E206-G269 CarbonylContact O-C 3.58Å; E206-G269 VanDerWaalsContact O-O 3.13Å
207Y96.2Very high95.5Very high47 Ų4765.5 Ų65.518%0.18433%0.331CS..  trans-154.5126.4176.8-175-100.2000109.9Y205 P209 D215 P240 N270 T298 Y315Y205-Y207 WeakPolarHBondContact OH-CB 3.27Å; Y207-P209 HydrophobicContact CD1-CG 4.32Å; Y207-P209 HydrophobicContact CE1-CB 4.37Å; Y207-P209 HydrophobicContact CE1-CG 4.25Å; Y207-D215 PolarHBondContact OH-OD2 2.84Å; Y207-P240 HydrophobicContact CD1-CB 4.02Å; Y207-P240 HydrophobicContact CD1-CG 4.19Å; Y207-P240 HydrophobicContact CD2-CB 4.08Å; Y207-P240 HydrophobicContact CE1-CB 4.01Å; Y207-P240 HydrophobicContact CE1-CG 3.66Å; Y207-P240 HydrophobicContact CE2-CB 4.03Å; Y207-P240 HydrophobicContact CE2-CG 4.01Å; Y207-P240 HydrophobicContact CG-CB 4.05Å; Y207-N270 HydrophobicContact CD2-CB 3.59Å; Y207-N270 HydrophobicContact CE2-CB 4.34Å; Y207-N270 HydrophobicContact CG-CB 4.32Å; Y207-T298 HydrophobicContact CE1-CG2 3.92Å; Y207-Y315 PolarHBondContact OH-OH 2.93Å
208E94.4Very high95.7Very high174 Ų17463 Ų6381%0.81332%0.321SS*.  trans-104.4117.8171.2-66.3-169.116100108.8
209P92.6Very high95.9Very high69 Ų6960.4 Ų60.445%0.44831%0.306SS..  trans-58.8143.4176-24.634.4000112.4Y207 D215Y207-P209 HydrophobicContact CD1-CG 4.32Å; Y207-P209 HydrophobicContact CE1-CB 4.37Å; Y207-P209 HydrophobicContact CE1-CG 4.25Å; P209-D215 WeakPolarHBondContact CA-OD2 3.43Å
210S91.2Very high95.9Very high31 Ų3156.5 Ų56.522%0.21729%0.288CS..  trans-63.5151177.967.60000112.3D212 Q213 D215 R319S210-D212 PolarHBondContact O-N 2.98Å; S210-D212 PolarHBondContact OG-OD1 3.22Å; S210-Q213 PolarHBondContact O-N 3.29Å; S210-D215 WeakPolarHBondContact CB-OD1 3.48Å; S210-D215 PolarHBondContact N-OD2 2.86Å; S210-D215 PolarHBondContact OG-OD1 3.24Å; S210-D215 PolarHBondContact OG-OD2 3.09Å; S210-R319 PolarHBondContact OG-NH2 3.37Å
211S91.3Very high95.9Very high127 Ų12754.1 Ų54.189%0.88828%0.275SS*.THydrogen-bonded Turntrans-64.5-24.2-176.957.80000113.9Q213S211-Q213 PolarHBondContact O-N 3.5Å
212D91.8Very high95.9Very high92 Ų9250.8 Ų50.849%0.49226%0.262SS..THydrogen-bonded Turntrans-78.6-4.8177.168.625.1000113.1S210 S214 R319S210-D212 PolarHBondContact O-N 2.98Å; S210-D212 PolarHBondContact OG-OD1 3.22Å; D212-S214 PolarHBondContact O-N 3.22Å; D212-S214 VanDerWaalsContact OD1-CB 3.24Å; D212-S214 WeakPolarHBondContact OD1-CB 3.31Å; D212-S214 PolarHBondContact OD1-N 3.24Å; D212-S214 PolarHBondContact OD1-OG 3.21Å; D212-S214 PolarHBondContact OD2-OG 3.09Å; D212-R319 IonicContact OD1-NH2 2.87Å; D212-R319 PolarHBondContact OD1-NH2 3.32Å; D212-R319 IonicContact OD2-NH2 3.41Å; D212-R319 PolarHBondContact OD2-NH2 2.97Å
213Q93.1Very high95.9Very high120 Ų12050.1 Ų50.156%0.56126%0.261SS*.  trans54.121.3179-55.6-172.4500114.5S210 S211 N299 Y300S210-Q213 PolarHBondContact O-N 3.29Å; S211-Q213 PolarHBondContact O-N 3.5Å; Q213-N299 WeakPolarHBondContact CB-ND2 3.32Å; Q213-N299 PolarHBondContact OE1-ND2 3.22Å; Q213-Y300 WeakPolarHBondContact O-CE2 3.46Å
214S96.6Very high95.8Very high4 Ų450.4 Ų50.43%0.02826%0.262CS..  trans-88.6-7.9-179690000113.4D212 R319D212-S214 PolarHBondContact O-N 3.22Å; D212-S214 VanDerWaalsContact OD1-CB 3.24Å; D212-S214 WeakPolarHBondContact OD1-CB 3.31Å; D212-S214 PolarHBondContact OD1-N 3.24Å; D212-S214 PolarHBondContact OD1-OG 3.21Å; D212-S214 PolarHBondContact OD2-OG 3.09Å; S214-R319 WeakPolarHBondContact O-CG 3.14Å; S214-R319 PolarHBondContact OG-NE 3.13Å; S214-R319 VanDerWaalsContact OG-NE 3.08Å; S214-R319 PolarHBondContact OG-NH2 3.08Å
215D97.9Very high95.7Very high3 Ų347.8 Ų47.82%0.01625%0.253CS..  trans-56.3144.1-175.8-69.7-6.6000112.7Y207 P209 S210 T298 Y315 R319Y207-D215 PolarHBondContact OH-OD2 2.84Å; P209-D215 WeakPolarHBondContact CA-OD2 3.43Å; S210-D215 WeakPolarHBondContact CB-OD1 3.48Å; S210-D215 PolarHBondContact N-OD2 2.86Å; S210-D215 PolarHBondContact OG-OD1 3.24Å; S210-D215 PolarHBondContact OG-OD2 3.09Å; D215-T298 HydrophobicContact CB-CG2 3.55Å; D215-T298 WeakPolarHBondContact O-CB 3.28Å; D215-Y315 PolarHBondContact OD1-OH 3.39Å; D215-R319 IonicContact OD1-CZ 2.66Å; D215-R319 IonicContact OD1-NE 3.02Å; D215-R319 PolarHBondContact OD1-NE 3.35Å; D215-R319 VanDerWaalsContact OD1-NE 3.16Å; D215-R319 IonicContact OD1-NH2 3.95Å; D215-R319 PolarHBondContact OD1-NH2 3.06Å
216V98.4Very high95.5Very high0 Ų046.8 Ų46.80%025%0.249CC..EExtended strand (participates in β ladder)trans-122127.8-179.6-173.10000108.6W237 Y300 F302 Y315 L318 R319 V322 M404V216-W237 HydrophobicContact CB-CH2 4.3Å; V216-W237 HydrophobicContact CB-CZ2 4.25Å; V216-W237 HydrophobicContact CG1-CH2 4.06Å; V216-W237 HydrophobicContact CG1-CZ2 4.19Å; V216-W237 WeakPolarHBondContact O-CZ2 3.46Å; V216-Y300 WeakPolarHBondContact CA-O 3.2Å; V216-F302 HydrophobicContact CG1-CB 3.9Å; V216-Y315 HydrophobicContact CB-CD2 4.44Å; V216-Y315 VanDerWaalsContact O-CE2 3.31Å; V216-Y315 WeakPolarHBondContact O-CE2 3.22Å; V216-L318 HydrophobicContact CG1-CD1 4.4Å; V216-L318 HydrophobicContact CG2-CB 4Å; V216-R319 HydrophobicContact CG2-CG 4.4Å; V216-V322 HydrophobicContact CG2-CG2 4.46Å; V216-M404 HydrophobicContact CG1-CG 3.87Å; V216-M404 HydrophobicContact CG1-SD 4.14Å; V216-M404 HydrophobicContact CG2-SD 3.78Å
217T98.8Very high95.4Very high1 Ų141.2 Ų41.21%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-94.1128.8172.3-62.40000110V219 P240 V296 T298 Y300 M301 F302T217-V219 HydrophobicContact CG2-CG2 4.43Å; T217-P240 WeakPolarHBondContact CA-O 3.33Å; T217-P240 HydrophobicContact CG2-CB 4.43Å; T217-P240 WeakPolarHBondContact OG1-CG 3.39Å; T217-V296 HydrophobicContact CG2-CG1 4.34Å; T217-V296 HydrophobicContact CG2-CG2 3.93Å; T217-T298 WeakPolarHBondContact CB-OG1 3.45Å; T217-T298 PolarHBondContact N-OG1 3.03Å; T217-T298 VanDerWaalsContact OG1-CG2 3.31Å; T217-T298 WeakPolarHBondContact OG1-CG2 3.35Å; T217-T298 PolarHBondContact OG1-OG1 2.85Å; T217-Y300 PolarHBondContact N-O 3.02Å; T217-M301 CarbonylContact O-C 3.38Å; T217-M301 WeakPolarHBondContact O-CA 3.36Å; T217-F302 PolarHBondContact O-N 2.78Å
218L98.8Very high95.1Very high1 Ų144.4 Ų44.41%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-75126.5168.7-174.6153.9000108.6A220 I233 W237 P240 I241 S242 F302L218-A220 HydrophobicContact CD2-CB 3.96Å; L218-I233 HydrophobicContact CD1-CG2 4.18Å; L218-I233 HydrophobicContact CD2-CG2 4.39Å; L218-W237 HydrophobicContact CB-CD2 3.93Å; L218-W237 HydrophobicContact CB-CG 4.11Å; L218-W237 HydrophobicContact CB-CZ2 3.93Å; L218-W237 HydrophobicContact CD1-CB 4.17Å; L218-W237 HydrophobicContact CD1-CD2 3.84Å; L218-W237 HydrophobicContact CD1-CE3 4.08Å; L218-W237 HydrophobicContact CD1-CG 3.88Å; L218-P240 PolarHBondContact N-O 2.84Å; L218-I241 HydrophobicContact CB-CG1 4.36Å; L218-I241 HydrophobicContact CB-CG2 4.4Å; L218-I241 HydrophobicContact CD2-CG2 3.93Å; L218-I241 CarbonylContact O-C 3.58Å; L218-I241 VanDerWaalsContact O-CA 3.32Å; L218-I241 WeakPolarHBondContact O-CA 3.41Å; L218-I241 WeakPolarHBondContact O-CG2 3.36Å; L218-S242 PolarHBondContact O-N 3.3Å; L218-F302 HydrophobicContact CD1-CD1 4.23Å; L218-F302 HydrophobicContact CG-CD1 4.28Å
219V98.8Very high95.2Very high4 Ų437 Ų372%0.02421%0.206CC..EExtended strand (participates in β ladder)trans-112.9124.6179.5178.40000108.3T217 S242 A292 M293 V296 M301 F302 L303 S304T217-V219 HydrophobicContact CG2-CG2 4.43Å; V219-S242 WeakPolarHBondContact CA-O 3.48Å; V219-A292 HydrophobicContact CG1-CB 3.66Å; V219-M293 HydrophobicContact CG1-CG 3.89Å; V219-V296 HydrophobicContact CG2-CG2 3.4Å; V219-M301 HydrophobicContact CG2-CB 3.83Å; V219-M301 HydrophobicContact CG2-SD 4.39Å; V219-F302 PolarHBondContact N-O 3.29Å; V219-L303 HydrophobicContact CB-CD2 4Å; V219-L303 HydrophobicContact CG1-CD2 4.25Å; V219-L303 HydrophobicContact CG2-CD2 4.38Å; V219-S304 PolarHBondContact O-N 3.47Å; V219-S304 VanDerWaalsContact O-O 3.05Å
220A98.5Very high95.3Very high1 Ų133.8 Ų33.81%0.00818%0.184CC..EExtended strand (participates in β ladder)trans-147.9172.1174.700000111.3L218 S242 L243 A244 S304 I306L218-A220 HydrophobicContact CD2-CB 3.96Å; A220-S242 PolarHBondContact N-O 3.46Å; A220-S242 VanDerWaalsContact N-O 3.15Å; A220-L243 HydrophobicContact CB-CD2 3.74Å; A220-L243 WeakPolarHBondContact O-CA 3.4Å; A220-A244 PolarHBondContact O-N 3.5Å; A220-A244 VanDerWaalsContact O-N 3.14Å; A220-S304 WeakPolarHBondContact CA-O 3.43Å; A220-S304 WeakPolarHBondContact CB-O 3.35Å; A220-I306 HydrophobicContact CB-CD1 4.38Å
221Q98.2Very high95.5Very high19 Ų1934.9 Ų34.99%0.08919%0.186CC..EExtended strand (participates in β ladder)trans-138.1151.8175.257.67129.200109.6A244 Y283 L288 R289Q221-A244 CarbonylContact C-O 3.52Å; Q221-A244 WeakPolarHBondContact CA-O 3.38Å; Q221-A244 HydrophobicContact CB-CB 4.15Å; Q221-Y283 PolarHBondContact OE1-OH 3.18Å; Q221-L288 HydrophobicContact CB-CB 3.68Å; Q221-L288 HydrophobicContact CB-CD1 4.46Å; Q221-L288 HydrophobicContact CG-CB 4.03Å; Q221-R289 HydrophobicContact CG-CG 4.01Å
222L97.4Very high95.7Very high1 Ų130 Ų301%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-156.9160.6-178.472.6171.8000113.4R226 L227 L243 A244 L245 Y246 I306L222-R226 HydrophobicContact CB-CB 4.21Å; L222-L227 HydrophobicContact CD1-CD2 4.13Å; L222-L243 HydrophobicContact CD2-CB 4.29Å; L222-A244 PolarHBondContact N-O 3.03Å; L222-L245 HydrophobicContact CD1-CD2 4.13Å; L222-L245 HydrophobicContact CD2-CD2 3.38Å; L222-L245 HydrophobicContact CD2-CG 3.96Å; L222-L245 HydrophobicContact CG-CD2 3.7Å; L222-L245 CarbonylContact O-C 3.54Å; L222-L245 WeakPolarHBondContact O-CA 3.46Å; L222-Y246 PolarHBondContact O-N 3.16Å; L222-I306 HydrophobicContact CB-CB 4.03Å; L222-I306 HydrophobicContact CB-CD1 4.21Å; L222-I306 HydrophobicContact CB-CG1 3.84Å; L222-I306 HydrophobicContact CB-CG2 3.93Å; L222-I306 HydrophobicContact CD1-CD1 3.85Å; L222-I306 HydrophobicContact CD1-CG1 3.91Å; L222-I306 HydrophobicContact CD2-CD1 4.36Å; L222-I306 HydrophobicContact CG-CD1 4.37Å; L222-I306 HydrophobicContact CG-CG1 4.41Å
223S96Very high96Very high19 Ų1925.7 Ų25.713%0.13313%0.131CC..EExtended strand (participates in β ladder)trans-112.4174.5167.344.50000111.3D225 R226S223-D225 WeakPolarHBondContact CB-OD1 3.02Å; S223-D225 PolarHBondContact O-N 2.96Å; S223-D225 VanDerWaalsContact O-N 3.14Å; S223-D225 PolarHBondContact OG-OD1 3.39Å; S223-R226 PolarHBondContact O-N 3.02Å
224M94.2Very high96.2Very high39 Ų3920.2 Ų20.219%0.19211%0.106CC..G310 helixtrans-52.6-35-178.9-75.8-61.5-69.500114.5R226 L227 L247 E251 Q254M224-R226 PolarHBondContact O-N 3.46Å; M224-R226 VanDerWaalsContact O-N 3.11Å; M224-L227 HydrophobicContact CE-CD1 3.54Å; M224-L227 WeakPolarHBondContact O-CG 2.96Å; M224-L227 PolarHBondContact O-N 2.81Å; M224-L227 HydrophobicContact SD-CD1 3.49Å; M224-L227 WeakPolarHBondContact SD-CD1 3.46Å; M224-L227 HydrophobicContact SD-CG 4.25Å; M224-L247 HydrophobicContact CG-CD2 3.57Å; M224-L247 HydrophobicContact SD-CD2 3.64Å; M224-E251 HydrophobicContact CG-CB 3.68Å; M224-E251 VanDerWaalsContact CG-CD 3.48Å; M224-E251 HydrophobicContact CG-CG 3.6Å; M224-E251 HydrophobicContact SD-CB 3.97Å; M224-E251 HydrophobicContact SD-CG 4.39Å; M224-Q254 HydrophobicContact CE-CB 3.96Å
225D92.6Very high96.1Very high82 Ų8225 Ų2544%0.43913%0.126SC..G310 helixtrans-72.80.5-178.366.2-69.2000114.3S223 Q228S223-D225 WeakPolarHBondContact CB-OD1 3.02Å; S223-D225 PolarHBondContact O-N 2.96Å; S223-D225 VanDerWaalsContact O-N 3.14Å; S223-D225 PolarHBondContact OG-OD1 3.39Å; D225-Q228 PolarHBondContact O-NE2 3.44Å; D225-Q228 PolarHBondContact O-OE1 3.12Å
226R94.2Very high96.1Very high17 Ų1725.5 Ų25.56%0.06413%0.128CC..G310 helixtrans-121.85.9177.9-66.1-59.8-171-87.7-14.4114.4L222 S223 M224 Q228 M229 I306 D307 H450 A451L222-R226 HydrophobicContact CB-CB 4.21Å; S223-R226 PolarHBondContact O-N 3.02Å; M224-R226 PolarHBondContact O-N 3.46Å; M224-R226 VanDerWaalsContact O-N 3.11Å; R226-Q228 PolarHBondContact O-N 3.36Å; R226-Q228 VanDerWaalsContact O-N 3.11Å; R226-M229 WeakPolarHBondContact O-CB 3.25Å; R226-M229 PolarHBondContact O-N 2.89Å; R226-I306 HydrophobicContact CB-CG2 3.83Å; R226-I306 HydrophobicContact CG-CG2 4.02Å; R226-D307 WeakPolarHBondContact CD-OD1 3.28Å; R226-D307 IonicContact NE-OD1 2.67Å; R226-D307 PolarHBondContact NE-OD1 3.48Å; R226-D307 IonicContact NE-OD2 3.03Å; R226-D307 PolarHBondContact NE-OD2 3.43Å; R226-D307 VanDerWaalsContact NE-OD2 3.12Å; R226-H450 VanDerWaalsContact CZ-CB 3.47Å; R226-H450 PolarHBondContact NH2-ND1 2.78Å; R226-A451 PolarHBondContact NH2-O 3.02Å
227L92.7Very high96.1Very high14 Ų1425.6 Ų25.67%0.07313%0.128CC..THydrogen-bonded Turntrans-55.9-32.4-178.7-75.4-178.5000113.7L222 M224 M229 L230 L245 F255 Y258L222-L227 HydrophobicContact CD1-CD2 4.13Å; M224-L227 HydrophobicContact CE-CD1 3.54Å; M224-L227 WeakPolarHBondContact O-CG 2.96Å; M224-L227 PolarHBondContact O-N 2.81Å; M224-L227 HydrophobicContact SD-CD1 3.49Å; M224-L227 WeakPolarHBondContact SD-CD1 3.46Å; M224-L227 HydrophobicContact SD-CG 4.25Å; L227-M229 PolarHBondContact O-N 2.9Å; L227-M229 VanDerWaalsContact O-N 3.08Å; L227-L230 WeakPolarHBondContact O-CB 3.5Å; L227-L230 PolarHBondContact O-N 2.95Å; L227-L245 HydrophobicContact CD2-CD2 4.37Å; L227-F255 HydrophobicContact CD1-CD2 4.39Å; L227-F255 HydrophobicContact CD2-CD2 3.61Å; L227-F255 HydrophobicContact CD2-CE2 3.94Å; L227-Y258 HydrophobicContact CB-CE1 4.29Å; L227-Y258 HydrophobicContact CD1-CD1 4.27Å; L227-Y258 HydrophobicContact CD1-CG 4.49Å; L227-Y258 PolarHBondContact O-OH 3.01Å
228Q90.4Very high96Very high115 Ų11531.8 Ų31.854%0.53716%0.157SC..Hα-helixtrans-57.5-24.8177.866.8-80.24.400113.9D225 R226 L230D225-Q228 PolarHBondContact O-NE2 3.44Å; D225-Q228 PolarHBondContact O-OE1 3.12Å; R226-Q228 PolarHBondContact O-N 3.36Å; R226-Q228 VanDerWaalsContact O-N 3.11Å; Q228-L230 VanDerWaalsContact C-N 3.33Å
229M95Very high95.9Very high19 Ų1931.8 Ų31.89%0.09416%0.158CC..Hα-helixtrans-77.3-21.4179-68.2-56.1-6200112.8R226 L227 A232 I233 I306 L309 M448R226-M229 WeakPolarHBondContact O-CB 3.25Å; R226-M229 PolarHBondContact O-N 2.89Å; L227-M229 PolarHBondContact O-N 2.9Å; L227-M229 VanDerWaalsContact O-N 3.08Å; M229-A232 PolarHBondContact O-N 2.79Å; M229-I233 PolarHBondContact O-N 3.18Å; M229-I306 HydrophobicContact CB-CG1 3.96Å; M229-I306 WeakPolarHBondContact CB-O 3.46Å; M229-L309 HydrophobicContact CE-CD1 4.47Å; M229-L309 HydrophobicContact CE-CD2 3.69Å; M229-L309 HydrophobicContact CE-CG 3.85Å; M229-M448 HydrophobicContact CE-CB 4Å; M229-M448 HydrophobicContact CE-CG 3.8Å; M229-M448 HydrophobicContact SD-CB 4.22Å; M229-M448 HydrophobicContact SD-CG 4.48Å
230L95.5Very high95.9Very high0 Ų031.6 Ų31.60%016%0.157CC..Hα-helixtrans-63.6-48.2-170.6-178.356.2000112.5L227 Q228 A232 I233 C234 L243 F255 Y258 L265 Y273L227-L230 WeakPolarHBondContact O-CB 3.5Å; L227-L230 PolarHBondContact O-N 2.95Å; Q228-L230 VanDerWaalsContact C-N 3.33Å; L230-A232 VanDerWaalsContact C-N 3.29Å; L230-A232 PolarHBondContact O-N 3.48Å; L230-I233 PolarHBondContact O-N 3.03Å; L230-C234 PolarHBondContact O-N 3.12Å; L230-C234 PolarHBondContact O-SG 3.28Å; L230-L243 HydrophobicContact CD1-CD1 3.21Å; L230-F255 HydrophobicContact CD2-CE2 3.88Å; L230-F255 HydrophobicContact CD2-CZ 4.39Å; L230-Y258 HydrophobicContact CD2-CE1 4.38Å; L230-L265 HydrophobicContact CD2-CD1 3.67Å; L230-L265 HydrophobicContact CD2-CD2 4.15Å; L230-L265 HydrophobicContact CG-CD1 4.12Å; L230-L265 HydrophobicContact CG-CD2 3.79Å; L230-Y273 HydrophobicContact CD1-CE1 4.3Å; L230-Y273 HydrophobicContact CD2-CE1 3.85Å
231E95.8Very high95.9Very high54 Ų5431.6 Ų31.625%0.25216%0.156SC..Hα-helixtrans-62.5-38.1175.6-73.9-175.7-165.700112.2C234 K235 Y258 S262 V264 L265E231-C234 PolarHBondContact O-N 3.03Å; E231-K235 WeakPolarHBondContact O-CG 3.44Å; E231-K235 PolarHBondContact O-N 3.35Å; E231-Y258 PolarHBondContact OE1-OH 3.37Å; E231-S262 WeakPolarHBondContact CG-OG 3.26Å; E231-S262 WeakPolarHBondContact OE1-CB 3.37Å; E231-S262 PolarHBondContact OE1-OG 2.88Å; E231-V264 HydrophobicContact CG-CB 4.33Å; E231-L265 HydrophobicContact CG-CD1 4.49Å; E231-L265 HydrophobicContact CG-CD2 4.29Å; E231-L265 HydrophobicContact CG-CG 4.22Å
232A95.6Very high96Very high26 Ų2630.8 Ų30.822%0.21515%0.153CC..Hα-helixtrans-67.1-43.7179.900000111M229 L230 C234 K235 H236 L309M229-A232 PolarHBondContact O-N 2.79Å; L230-A232 VanDerWaalsContact C-N 3.29Å; L230-A232 PolarHBondContact O-N 3.48Å; A232-C234 VanDerWaalsContact C-N 3.33Å; A232-C234 PolarHBondContact O-N 2.99Å; A232-K235 PolarHBondContact O-N 3.31Å; A232-K235 VanDerWaalsContact O-N 3.08Å; A232-H236 PolarHBondContact O-CD2 3.44Å; A232-H236 PolarHBondContact O-N 3.22Å; A232-H236 VanDerWaalsContact O-N 3.1Å; A232-L309 HydrophobicContact CB-CD1 4.33Å; A232-L309 HydrophobicContact CB-CD2 3.6Å
233I97.1Very high96Very high1 Ų130.8 Ų30.81%0.00515%0.153CC..Hα-helixtrans-60-44.5173.3-73.3170.5000110.7L218 M229 L230 K235 H236 W237 I241 I306 L309L218-I233 HydrophobicContact CD1-CG2 4.18Å; L218-I233 HydrophobicContact CD2-CG2 4.39Å; M229-I233 PolarHBondContact O-N 3.18Å; L230-I233 PolarHBondContact O-N 3.03Å; I233-K235 PolarHBondContact O-N 2.99Å; I233-H236 PolarHBondContact O-N 3.42Å; I233-W237 WeakPolarHBondContact O-CB 3.31Å; I233-W237 PolarHBondContact O-N 3.15Å; I233-I241 HydrophobicContact CG2-CD1 4Å; I233-I306 HydrophobicContact CD1-CD1 3.44Å; I233-I306 VanDerWaalsContact CD1-CD1 3.44Å; I233-I306 HydrophobicContact CD1-CG1 3.9Å; I233-I306 VanDerWaalsContact CD1-O 3.26Å; I233-I306 WeakPolarHBondContact CD1-O 3.19Å; I233-L309 HydrophobicContact CG1-CD2 3.95Å
234C97.1Very high96.1Very high5 Ų529.9 Ų29.93%0.03415%0.146CC..Hα-helixtrans-63.8-19.3176.9-67.30000113.5L230 E231 A232 V264 L265 R268L230-C234 PolarHBondContact O-N 3.12Å; L230-C234 PolarHBondContact O-SG 3.28Å; E231-C234 PolarHBondContact O-N 3.03Å; A232-C234 VanDerWaalsContact C-N 3.33Å; A232-C234 PolarHBondContact O-N 2.99Å; C234-V264 HydrophobicContact CB-CG1 3.83Å; C234-L265 HydrophobicContact CB-CD2 4.35Å; C234-R268 PolarHBondContact O-NH1 3.13Å
235K96.2Very high96.4Very high105 Ų10528 Ų2846%0.45714%0.137SC..Hα-helixtrans-87.8-22.5172.2-71.3169.5-174.9170.40113.1E231 A232 I233 V264 Y312E231-K235 WeakPolarHBondContact O-CG 3.44Å; E231-K235 PolarHBondContact O-N 3.35Å; A232-K235 PolarHBondContact O-N 3.31Å; A232-K235 VanDerWaalsContact O-N 3.08Å; I233-K235 PolarHBondContact O-N 2.99Å; K235-V264 HydrophobicContact CG-CG1 4.33Å; K235-Y312 WeakPolarHBondContact O-CE1 3.28Å
236H97.4Very high96.6Very high13 Ų1324.8 Ų24.86%0.0612%0.119CC..Hα-helixtrans-97.5-18.4-177-80.6-114.1000113.1A232 I233 P310 Y312 F348A232-H236 PolarHBondContact O-CD2 3.44Å; A232-H236 PolarHBondContact O-N 3.22Å; A232-H236 VanDerWaalsContact O-N 3.1Å; I233-H236 PolarHBondContact O-N 3.42Å; H236-P310 HydrophobicContact CB-CG 3.89Å; H236-P310 PolarHBondContact ND1-O 3.44Å; H236-Y312 AromaticContact CD2-CZ 3.82Å; H236-Y312 AromaticContact CE1-CE2 3.48Å; H236-Y312 VanDerWaalsContact CE1-CE2 3.48Å; H236-Y312 WeakPolarHBondContact CE1-CE2 3.28Å; H236-Y312 AromaticContact CE1-CZ 3.51Å; H236-Y312 AromaticContact ND1-CE2 3.95Å; H236-Y312 AromaticContact ND1-CZ 3.92Å; H236-Y312 AromaticContact NE2-CE2 3.87Å; H236-Y312 AromaticContact NE2-CZ 3.44Å; H236-Y312 PolarHBondContact NE2-OH 2.86Å; H236-F348 AromaticContact CE1-CD1 3.72Å; H236-F348 AromaticContact CE1-CD2 3.59Å; H236-F348 AromaticContact CE1-CE1 3.85Å; H236-F348 AromaticContact CE1-CE2 3.7Å; H236-F348 AromaticContact CE1-CG 3.59Å; H236-F348 AromaticContact CE1-CZ 3.82Å; H236-F348 AromaticContact ND1-CZ 3.92Å
237W98.2Very high96.7Very high1 Ų124 Ų240%0.00412%0.116CC..  trans-128.2100.1-175.9-176.8-92000111.7V216 L218 I233 G239 P240 R268 F302 P310 L314 Y315 L318V216-W237 HydrophobicContact CB-CH2 4.3Å; V216-W237 HydrophobicContact CB-CZ2 4.25Å; V216-W237 HydrophobicContact CG1-CH2 4.06Å; V216-W237 HydrophobicContact CG1-CZ2 4.19Å; V216-W237 WeakPolarHBondContact O-CZ2 3.46Å; L218-W237 HydrophobicContact CB-CD2 3.93Å; L218-W237 HydrophobicContact CB-CG 4.11Å; L218-W237 HydrophobicContact CB-CZ2 3.93Å; L218-W237 HydrophobicContact CD1-CB 4.17Å; L218-W237 HydrophobicContact CD1-CD2 3.84Å; L218-W237 HydrophobicContact CD1-CE3 4.08Å; L218-W237 HydrophobicContact CD1-CG 3.88Å; I233-W237 WeakPolarHBondContact O-CB 3.31Å; I233-W237 PolarHBondContact O-N 3.15Å; W237-G239 VanDerWaalsContact C-N 3.32Å; W237-G239 VanDerWaalsContact NE1-C 3.33Å; W237-G239 PolarHBondContact NE1-O 2.9Å; W237-G239 PolarHBondContact O-N 3.35Å; W237-P240 PolarHBondContact NE1-O 3.46Å; W237-R268 PolarHBondContact O-NH1 3.3Å; W237-R268 PolarHBondContact O-NH2 3.37Å; W237-R268 VanDerWaalsContact O-NH2 3.11Å; W237-F302 HydrophobicContact CH2-CB 4.16Å; W237-F302 HydrophobicContact CH2-CD1 4.32Å; W237-F302 HydrophobicContact CZ3-CD1 4.14Å; W237-P310 HydrophobicContact CB-CG 4.29Å; W237-P310 HydrophobicContact CE3-CG 4.31Å; W237-L314 HydrophobicContact CZ3-CB 4.29Å; W237-L314 HydrophobicContact CZ3-CD2 4.21Å; W237-L314 HydrophobicContact CZ3-CG 4.09Å; W237-Y315 AromaticContact CE2-CD2 3.95Å; W237-Y315 HydrophobicContact CH2-CD2 4.06Å; W237-Y315 AromaticContact CZ2-CD2 3.6Å; W237-Y315 HydrophobicContact CZ2-CD2 3.6Å; W237-Y315 HydrophobicContact CZ2-CG 4.31Å; W237-L318 HydrophobicContact CH2-CD1 3.81Å; W237-L318 HydrophobicContact CZ3-CD1 3.98Å
238E96.6Very high96.9Very high132 Ų13225.2 Ų25.262%0.61713%0.126SC*.  trans-71-26.5-178.5-57.3-56.615300113.6R268 N270E238-R268 PolarHBondContact O-NH2 2.85Å; E238-N270 PolarHBondContact O-ND2 2.99Å
239G97.4Very high97Very high1 Ų121.2 Ų21.21%0.0111%0.108CC..SBendtrans-69.2178.4-177.600000114.8W237 R268 N270 Y315W237-G239 VanDerWaalsContact C-N 3.32Å; W237-G239 VanDerWaalsContact NE1-C 3.33Å; W237-G239 PolarHBondContact NE1-O 2.9Å; W237-G239 PolarHBondContact O-N 3.35Å; G239-R268 PolarHBondContact O-NH2 3.39Å; G239-N270 PolarHBondContact O-ND2 3.35Å; G239-Y315 VanDerWaalsContact CA-CE2 3.48Å
240P98.4Very high96.9Very high0 Ų021.6 Ų21.60%011%0.114CC..  trans-63.1149.6176.826.4-32.9000111.5Y207 T217 L218 W237 N270 T298Y207-P240 HydrophobicContact CD1-CB 4.02Å; Y207-P240 HydrophobicContact CD1-CG 4.19Å; Y207-P240 HydrophobicContact CD2-CB 4.08Å; Y207-P240 HydrophobicContact CE1-CB 4.01Å; Y207-P240 HydrophobicContact CE1-CG 3.66Å; Y207-P240 HydrophobicContact CE2-CB 4.03Å; Y207-P240 HydrophobicContact CE2-CG 4.01Å; Y207-P240 HydrophobicContact CG-CB 4.05Å; T217-P240 WeakPolarHBondContact CA-O 3.33Å; T217-P240 HydrophobicContact CG2-CB 4.43Å; T217-P240 WeakPolarHBondContact OG1-CG 3.39Å; L218-P240 PolarHBondContact N-O 2.84Å; W237-P240 PolarHBondContact NE1-O 3.46Å; P240-N270 WeakPolarHBondContact CA-O 3.43Å; P240-T298 HydrophobicContact CG-CG2 3.84Å
241I98.8Very high96.9Very high0 Ų023.4 Ų23.40%012%0.123CC..EExtended strand (participates in β ladder)trans-130.8137.6178.7-50.5179.6000109.1L218 I233 L243 N270 V271 G272L218-I241 HydrophobicContact CB-CG1 4.36Å; L218-I241 HydrophobicContact CB-CG2 4.4Å; L218-I241 HydrophobicContact CD2-CG2 3.93Å; L218-I241 CarbonylContact O-C 3.58Å; L218-I241 VanDerWaalsContact O-CA 3.32Å; L218-I241 WeakPolarHBondContact O-CA 3.41Å; L218-I241 WeakPolarHBondContact O-CG2 3.36Å; I233-I241 HydrophobicContact CG2-CD1 4Å; I241-L243 HydrophobicContact CG2-CD1 4.1Å; I241-L243 HydrophobicContact CG2-CD2 3.72Å; I241-L243 HydrophobicContact CG2-CG 3.63Å; I241-N270 PolarHBondContact N-O 3.2Å; I241-V271 HydrophobicContact CB-CG1 4.14Å; I241-V271 HydrophobicContact CB-CG2 4.34Å; I241-V271 HydrophobicContact CD1-CG2 4.2Å; I241-V271 HydrophobicContact CG1-CG2 4.42Å; I241-V271 HydrophobicContact CG2-CG1 4.5Å; I241-G272 PolarHBondContact O-N 3.18Å
242S98.8Very high96.9Very high3 Ų320.9 Ų20.92%0.02111%0.111CC..EExtended strand (participates in β ladder)trans-117.7121.2168.6-179.80000109.7L218 V219 A220 H274 A292L218-S242 PolarHBondContact O-N 3.3Å; V219-S242 WeakPolarHBondContact CA-O 3.48Å; A220-S242 PolarHBondContact N-O 3.46Å; A220-S242 VanDerWaalsContact N-O 3.15Å; S242-H274 PolarHBondContact OG-NE2 3.49Å; S242-A292 WeakPolarHBondContact CB-O 3.45Å; S242-A292 WeakPolarHBondContact OG-CA 3.42Å; S242-A292 PolarHBondContact OG-O 2.79Å
243L98.5Very high96.7Very high0 Ų022 Ų220%011%0.112CC..EExtended strand (participates in β ladder)trans-124.3124.7-174-63.6174.1000112A220 L222 L230 I241 V271 G272 Y273 H274 I306A220-L243 HydrophobicContact CB-CD2 3.74Å; A220-L243 WeakPolarHBondContact O-CA 3.4Å; L222-L243 HydrophobicContact CD2-CB 4.29Å; L230-L243 HydrophobicContact CD1-CD1 3.21Å; I241-L243 HydrophobicContact CG2-CD1 4.1Å; I241-L243 HydrophobicContact CG2-CD2 3.72Å; I241-L243 HydrophobicContact CG2-CG 3.63Å; L243-V271 HydrophobicContact CD1-CG1 3.95Å; L243-G272 PolarHBondContact N-O 2.79Å; L243-Y273 HydrophobicContact CD1-CD1 4.2Å; L243-Y273 HydrophobicContact CD1-CE1 3.99Å; L243-H274 PolarHBondContact O-CD2 3.38Å; L243-H274 PolarHBondContact O-N 3.24Å; L243-I306 HydrophobicContact CD2-CD1 4.22Å
244A98.8Very high96.5Very high0 Ų026.3 Ų26.30%013%0.132CC..EExtended strand (participates in β ladder)trans-92.6120.9165.400000110.9A220 Q221 L222 H274 L288 V291 A292A220-A244 PolarHBondContact O-N 3.5Å; A220-A244 VanDerWaalsContact O-N 3.14Å; Q221-A244 CarbonylContact C-O 3.52Å; Q221-A244 WeakPolarHBondContact CA-O 3.38Å; Q221-A244 HydrophobicContact CB-CB 4.15Å; L222-A244 PolarHBondContact N-O 3.03Å; A244-H274 CarbonylContact C-O 3.51Å; A244-H274 WeakPolarHBondContact CA-O 3.44Å; A244-L288 HydrophobicContact CB-CB 3.92Å; A244-L288 HydrophobicContact CB-CD2 4.26Å; A244-L288 WeakPolarHBondContact CB-O 3.3Å; A244-V291 HydrophobicContact CB-CB 4.4Å; A244-V291 HydrophobicContact CB-CG1 4.36Å; A244-A292 HydrophobicContact CB-CB 4.11Å
245L98.5Very high96.5Very high0 Ų026 Ų260%013%0.13CC..EExtended strand (participates in β ladder)trans-103.4115.4-178.9-68.8155.8000109.7L222 L227 L247 F255 Y273 H274 V275 V276L222-L245 HydrophobicContact CD1-CD2 4.13Å; L222-L245 HydrophobicContact CD2-CD2 3.38Å; L222-L245 HydrophobicContact CD2-CG 3.96Å; L222-L245 HydrophobicContact CG-CD2 3.7Å; L222-L245 CarbonylContact O-C 3.54Å; L222-L245 WeakPolarHBondContact O-CA 3.46Å; L227-L245 HydrophobicContact CD2-CD2 4.37Å; L245-L247 HydrophobicContact CB-CD1 3.84Å; L245-L247 HydrophobicContact CB-CG 3.89Å; L245-L247 HydrophobicContact CD1-CD1 4.5Å; L245-L247 PolarHBondContact O-N 2.9Å; L245-F255 HydrophobicContact CD1-CD1 3.89Å; L245-F255 HydrophobicContact CD1-CE1 3.48Å; L245-F255 VanDerWaalsContact CD1-CE1 3.48Å; L245-F255 HydrophobicContact CD1-CE2 4.22Å; L245-F255 HydrophobicContact CD1-CG 4.42Å; L245-F255 HydrophobicContact CD1-CZ 3.68Å; L245-F255 HydrophobicContact CD2-CD2 4.32Å; L245-F255 HydrophobicContact CD2-CE2 4.12Å; L245-F255 HydrophobicContact CD2-CZ 4.37Å; L245-Y273 HydrophobicContact CD1-CD1 4.05Å; L245-Y273 HydrophobicContact CD1-CG 4.46Å; L245-H274 PolarHBondContact N-O 3.36Å; L245-V275 HydrophobicContact CB-CG2 4.31Å; L245-V275 HydrophobicContact CD1-CG2 4.07Å; L245-V275 WeakPolarHBondContact O-CA 3.36Å; L245-V276 PolarHBondContact O-N 3.26Å
246Y97.9Very high96.4Very high15 Ų1523 Ų236%0.05912%0.119CC..EExtended strand (participates in β ladder)trans-91.495.1178.1-168.7-124.5000111.8L222 V276 K278 E279 Y283 P284 L288L222-Y246 PolarHBondContact O-N 3.16Å; Y246-V276 WeakPolarHBondContact CA-O 3.3Å; Y246-V276 HydrophobicContact CD2-CB 4.47Å; Y246-V276 HydrophobicContact CD2-CG1 4.31Å; Y246-V276 WeakPolarHBondContact CD2-O 3.34Å; Y246-K278 HydrophobicContact CD1-CG 3.88Å; Y246-K278 HydrophobicContact CD2-CG 4.24Å; Y246-K278 HydrophobicContact CE1-CB 4.44Å; Y246-K278 HydrophobicContact CE1-CG 3.7Å; Y246-K278 HydrophobicContact CE2-CB 4.32Å; Y246-K278 HydrophobicContact CE2-CG 4.04Å; Y246-K278 HydrophobicContact CG-CG 4.17Å; Y246-K278 VanDerWaalsContact O-CE 3.28Å; Y246-K278 WeakPolarHBondContact O-CE 3.25Å; Y246-E279 PolarHBondContact OH-N 3.17Å; Y246-E279 PolarHBondContact OH-O 3.42Å; Y246-Y283 AromaticContact CD1-CD2 3.47Å; Y246-Y283 HydrophobicContact CD1-CD2 3.47Å; Y246-Y283 VanDerWaalsContact CD1-CD2 3.47Å; Y246-Y283 AromaticContact CD1-CE2 3.41Å; Y246-Y283 HydrophobicContact CD1-CE2 3.41Å; Y246-Y283 VanDerWaalsContact CD1-CE2 3.41Å; Y246-Y283 AromaticContact CE1-CD2 3.91Å; Y246-Y283 HydrophobicContact CE1-CD2 3.91Å; Y246-Y283 HydrophobicContact CE1-CE2 4.3Å; Y246-Y283 HydrophobicContact CG-CD2 4.34Å; Y246-Y283 AromaticContact CG-CE2 3.94Å; Y246-Y283 HydrophobicContact CG-CE2 3.94Å; Y246-P284 HydrophobicContact CD2-CG 4.13Å; Y246-P284 HydrophobicContact CE2-CG 3.69Å; Y246-P284 VanDerWaalsContact CZ-CD 3.49Å; Y246-L288 HydrophobicContact CD2-CD2 4Å; Y246-L288 HydrophobicContact CG-CD1 4.16Å; Y246-L288 HydrophobicContact CG-CD2 4.32Å
247L97.2Very high96.2Very high0 Ų029 Ų290%014%0.141CC..EExtended strand (participates in β ladder)trans-131.6149.1-165.9-52.5-179.4000112.4M224 L245 E251 A252 F255 V275 V276 Y277 K278M224-L247 HydrophobicContact CG-CD2 3.57Å; M224-L247 HydrophobicContact SD-CD2 3.64Å; L245-L247 HydrophobicContact CB-CD1 3.84Å; L245-L247 HydrophobicContact CB-CG 3.89Å; L245-L247 HydrophobicContact CD1-CD1 4.5Å; L245-L247 PolarHBondContact O-N 2.9Å; L247-E251 WeakPolarHBondContact CA-OE2 3.38Å; L247-E251 HydrophobicContact CB-CB 3.92Å; L247-E251 HydrophobicContact CD2-CB 4.25Å; L247-A252 HydrophobicContact CB-CB 4.48Å; L247-A252 HydrophobicContact CD1-CB 4.31Å; L247-F255 HydrophobicContact CD1-CB 3.86Å; L247-F255 HydrophobicContact CD1-CD1 4.47Å; L247-F255 HydrophobicContact CD1-CG 4.19Å; L247-V275 HydrophobicContact CB-CG1 4.14Å; L247-V275 HydrophobicContact CD1-CG1 4.29Å; L247-V275 HydrophobicContact CD1-CG2 4.21Å; L247-V275 HydrophobicContact CG-CG1 4.46Å; L247-V276 PolarHBondContact N-O 3.02Å; L247-V276 VanDerWaalsContact N-O 3.13Å; L247-Y277 CarbonylContact O-C 3.55Å; L247-Y277 WeakPolarHBondContact O-CA 3.43Å; L247-K278 PolarHBondContact O-N 3.44Å
248S95.1Very high96.1Very high40 Ų4032.3 Ų32.328%0.2815%0.154SC..  trans-73.8169.3159.871.50000111A250 E251 A252S248-A250 VanDerWaalsContact C-N 3.3Å; S248-A250 PolarHBondContact O-N 3.26Å; S248-E251 PolarHBondContact N-OE2 3.17Å; S248-E251 PolarHBondContact O-N 3.35Å; S248-E251 VanDerWaalsContact OG-CG 3.31Å; S248-E251 WeakPolarHBondContact OG-CG 3.36Å; S248-E251 PolarHBondContact OG-N 2.89Å; S248-E251 VanDerWaalsContact OG-N 3.15Å; S248-A252 PolarHBondContact O-N 2.89Å
249D92.8Very high96Very high30 Ų3026 Ų2616%0.1613%0.125CC..Hα-helixtrans-55.4-45.1172.8-71.9-81.1000112.6Y149 G151 R197 E251 A252 Q253 Y277Y149-D249 WeakPolarHBondContact O-CB 3.41Å; G151-D249 PolarHBondContact N-OD2 3.11Å; R197-D249 IonicContact CZ-OD1 2.81Å; R197-D249 IonicContact CZ-OD2 3.97Å; R197-D249 IonicContact NH1-OD1 3.92Å; R197-D249 PolarHBondContact NH1-OD1 2.94Å; R197-D249 IonicContact NH2-OD1 2.76Å; R197-D249 PolarHBondContact NH2-OD1 3.14Å; R197-D249 IonicContact NH2-OD2 2.99Å; R197-D249 PolarHBondContact NH2-OD2 2.91Å; D249-E251 PolarHBondContact O-N 3.47Å; D249-A252 PolarHBondContact O-N 2.05Å; D249-Q253 PolarHBondContact O-N 3.4Å; D249-Y277 WeakPolarHBondContact OD1-CE1 3.33Å
250A92.5Very high95.8Very high27 Ų2731.6 Ų31.622%0.22315%0.151CC..Hα-helixtrans-62.3-42176.400000112.2E148 S248 Q253 Q254E148-A250 HydrophobicContact CG-CB 4.37Å; S248-A250 VanDerWaalsContact C-N 3.3Å; S248-A250 PolarHBondContact O-N 3.26Å; A250-Q253 PolarHBondContact O-N 3.43Å; A250-Q254 WeakPolarHBondContact O-CG 3.47Å; A250-Q254 PolarHBondContact O-N 3.08Å; A250-Q254 VanDerWaalsContact O-N 3.07Å
251E95.8Very high95.6Very high38 Ų3834.8 Ų34.818%0.17818%0.183CC..Hα-helixtrans-68.3-35.9177.5-72173.915000112.1M224 L247 S248 D249 Q253 Q254 F255 K278M224-E251 HydrophobicContact CG-CB 3.68Å; M224-E251 VanDerWaalsContact CG-CD 3.48Å; M224-E251 HydrophobicContact CG-CG 3.6Å; M224-E251 HydrophobicContact SD-CB 3.97Å; M224-E251 HydrophobicContact SD-CG 4.39Å; L247-E251 WeakPolarHBondContact CA-OE2 3.38Å; L247-E251 HydrophobicContact CB-CB 3.92Å; L247-E251 HydrophobicContact CD2-CB 4.25Å; S248-E251 PolarHBondContact N-OE2 3.17Å; S248-E251 PolarHBondContact O-N 3.35Å; S248-E251 VanDerWaalsContact OG-CG 3.31Å; S248-E251 WeakPolarHBondContact OG-CG 3.36Å; S248-E251 PolarHBondContact OG-N 2.89Å; S248-E251 VanDerWaalsContact OG-N 3.15Å; D249-E251 PolarHBondContact O-N 3.47Å; E251-Q253 VanDerWaalsContact C-N 3.28Å; E251-Q253 PolarHBondContact O-N 3.27Å; E251-Q254 CarbonylContact O-C 3.38Å; E251-Q254 WeakPolarHBondContact O-CB 3.48Å; E251-Q254 PolarHBondContact O-N 3.18Å; E251-Q254 VanDerWaalsContact O-N 3.1Å; E251-F255 WeakPolarHBondContact O-CB 3.28Å; E251-F255 PolarHBondContact O-N 3.41Å; E251-K278 IonicContact OE1-NZ 2.79Å; E251-K278 PolarHBondContact OE1-NZ 2.88Å; E251-K278 WeakPolarHBondContact OE2-CD 3.26Å; E251-K278 WeakPolarHBondContact OE2-CE 3.35Å; E251-K278 IonicContact OE2-NZ 2.7Å; E251-K278 PolarHBondContact OE2-NZ 2.76Å
252A95.5Very high95.5Very high1 Ų135.1 Ų35.11%0.00819%0.186CC..Hα-helixtrans-60.7-39173.800000111.6F202 L247 S248 D249 F255 L256 V275 Y277F202-A252 HydrophobicContact CZ-CB 4.16Å; L247-A252 HydrophobicContact CB-CB 4.48Å; L247-A252 HydrophobicContact CD1-CB 4.31Å; S248-A252 PolarHBondContact O-N 2.89Å; D249-A252 PolarHBondContact O-N 2.05Å; A252-F255 PolarHBondContact O-N 3.42Å; A252-L256 PolarHBondContact O-N 3.33Å; A252-V275 HydrophobicContact CB-CG1 4.19Å; A252-Y277 HydrophobicContact CB-CE1 4.11Å
253Q91.8Very high95.3Very high50 Ų5043.5 Ų43.523%0.23423%0.225CC..Hα-helixtrans-67.8-35.9173.2-64.9-60.9-3900112.7L147 D249 A250 E251 R257L147-Q253 HydrophobicContact CB-CG 4.4Å; L147-Q253 HydrophobicContact CD1-CG 4.31Å; L147-Q253 HydrophobicContact CD2-CG 4.08Å; D249-Q253 PolarHBondContact O-N 3.4Å; A250-Q253 PolarHBondContact O-N 3.43Å; E251-Q253 VanDerWaalsContact C-N 3.28Å; E251-Q253 PolarHBondContact O-N 3.27Å; Q253-R257 PolarHBondContact O-N 3.01Å; Q253-R257 PolarHBondContact O-NH1 2.9Å; Q253-R257 VanDerWaalsContact O-NH1 3.12Å
254Q93.9Very high95.2Very high91 Ų9145.4 Ų45.443%0.42524%0.236SC..Hα-helixtrans-66.3-43.7173.3-68.7173.320.600111.2M224 A250 E251 L256 R257 Y258M224-Q254 HydrophobicContact CE-CB 3.96Å; A250-Q254 WeakPolarHBondContact O-CG 3.47Å; A250-Q254 PolarHBondContact O-N 3.08Å; A250-Q254 VanDerWaalsContact O-N 3.07Å; E251-Q254 CarbonylContact O-C 3.38Å; E251-Q254 WeakPolarHBondContact O-CB 3.48Å; E251-Q254 PolarHBondContact O-N 3.18Å; E251-Q254 VanDerWaalsContact O-N 3.1Å; Q254-L256 PolarHBondContact O-N 3.06Å; Q254-R257 VanDerWaalsContact CG-NH2 3.33Å; Q254-R257 PolarHBondContact O-N 2.72Å; Q254-Y258 PolarHBondContact O-N 2.79Å
255F96.4Very high95Very high0 Ų045.7 Ų45.70%024%0.237CC..Hα-helixtrans-60-44.1176.2173.5-105.7000111.8F202 L203 L227 L230 L245 L247 E251 A252 R257 Y258 A259 Y273F202-F255 HydrophobicContact CD1-CD1 4.03Å; F202-F255 HydrophobicContact CD1-CE1 4.22Å; F202-F255 HydrophobicContact CE1-CD1 4.12Å; L203-F255 HydrophobicContact CD1-CE1 3.88Å; L203-F255 HydrophobicContact CD1-CZ 4.18Å; L203-F255 HydrophobicContact CG-CE1 4.37Å; L227-F255 HydrophobicContact CD1-CD2 4.39Å; L227-F255 HydrophobicContact CD2-CD2 3.61Å; L227-F255 HydrophobicContact CD2-CE2 3.94Å; L230-F255 HydrophobicContact CD2-CE2 3.88Å; L230-F255 HydrophobicContact CD2-CZ 4.39Å; L245-F255 HydrophobicContact CD1-CD1 3.89Å; L245-F255 HydrophobicContact CD1-CE1 3.48Å; L245-F255 VanDerWaalsContact CD1-CE1 3.48Å; L245-F255 HydrophobicContact CD1-CE2 4.22Å; L245-F255 HydrophobicContact CD1-CG 4.42Å; L245-F255 HydrophobicContact CD1-CZ 3.68Å; L245-F255 HydrophobicContact CD2-CD2 4.32Å; L245-F255 HydrophobicContact CD2-CE2 4.12Å; L245-F255 HydrophobicContact CD2-CZ 4.37Å; L247-F255 HydrophobicContact CD1-CB 3.86Å; L247-F255 HydrophobicContact CD1-CD1 4.47Å; L247-F255 HydrophobicContact CD1-CG 4.19Å; E251-F255 WeakPolarHBondContact O-CB 3.28Å; E251-F255 PolarHBondContact O-N 3.41Å; A252-F255 PolarHBondContact O-N 3.42Å; F255-R257 VanDerWaalsContact C-N 3.31Å; F255-R257 PolarHBondContact O-N 3.2Å; F255-Y258 HydrophobicContact CD2-CD1 4.25Å; F255-Y258 HydrophobicContact CE2-CD1 4.35Å; F255-Y258 WeakPolarHBondContact O-CB 3.42Å; F255-Y258 PolarHBondContact O-N 3.24Å; F255-Y258 VanDerWaalsContact O-N 3.14Å; F255-A259 HydrophobicContact CE2-CB 4.48Å; F255-A259 HydrophobicContact CZ-CB 4.23Å; F255-A259 WeakPolarHBondContact O-CB 3.46Å; F255-A259 PolarHBondContact O-N 3.12Å; F255-Y273 HydrophobicContact CE1-CD1 4.08Å; F255-Y273 HydrophobicContact CE1-CG 4.25Å; F255-Y273 AromaticContact CZ-CD1 3.49Å; F255-Y273 HydrophobicContact CZ-CD1 3.49Å; F255-Y273 VanDerWaalsContact CZ-CD1 3.49Å; F255-Y273 AromaticContact CZ-CE1 3.73Å; F255-Y273 HydrophobicContact CZ-CE1 3.73Å; F255-Y273 HydrophobicContact CZ-CG 4.08Å
256L94.4Very high94.8Very high42 Ų4251.5 Ų51.522%0.2227%0.266CS..Hα-helixtrans-54.3-47.4175.4177.960.4000111.7F202 L203 A252 Q254 A259 Q260F202-L256 HydrophobicContact CE1-CB 4.03Å; F202-L256 HydrophobicContact CZ-CB 4.42Å; L203-L256 HydrophobicContact CD2-CD1 3.39Å; A252-L256 PolarHBondContact O-N 3.33Å; Q254-L256 PolarHBondContact O-N 3.06Å; L256-A259 PolarHBondContact O-N 3.06Å; L256-Q260 HydrophobicContact CD1-CG 4.19Å; L256-Q260 WeakPolarHBondContact O-CB 3.29Å; L256-Q260 VanDerWaalsContact O-CG 3.24Å; L256-Q260 WeakPolarHBondContact O-CG 3.31Å; L256-Q260 PolarHBondContact O-N 3.33Å
257R93.1Very high94.7Very high139 Ų13953.9 Ų53.953%0.52530%0.295SS..Hα-helixtrans-66.1-39.8178.2-68.7-173-65.5-87.68.2112.3Q253 Q254 F255 G261Q253-R257 PolarHBondContact O-N 3.01Å; Q253-R257 PolarHBondContact O-NH1 2.9Å; Q253-R257 VanDerWaalsContact O-NH1 3.12Å; Q254-R257 VanDerWaalsContact CG-NH2 3.33Å; Q254-R257 PolarHBondContact O-N 2.72Å; F255-R257 VanDerWaalsContact C-N 3.31Å; F255-R257 PolarHBondContact O-N 3.2Å; R257-G261 PolarHBondContact O-N 3.06Å
258Y95.2Very high94.6Very high69 Ų6955.4 Ų55.427%0.27130%0.301SS..Hα-helixtrans-60.8-50.5175.9169.4-102.8000111.1L227 L230 E231 Q254 F255 Q260 G261 S262 L265L227-Y258 HydrophobicContact CB-CE1 4.29Å; L227-Y258 HydrophobicContact CD1-CD1 4.27Å; L227-Y258 HydrophobicContact CD1-CG 4.49Å; L227-Y258 PolarHBondContact O-OH 3.01Å; L230-Y258 HydrophobicContact CD2-CE1 4.38Å; E231-Y258 PolarHBondContact OE1-OH 3.37Å; Q254-Y258 PolarHBondContact O-N 2.79Å; F255-Y258 HydrophobicContact CD2-CD1 4.25Å; F255-Y258 HydrophobicContact CE2-CD1 4.35Å; F255-Y258 WeakPolarHBondContact O-CB 3.42Å; F255-Y258 PolarHBondContact O-N 3.24Å; F255-Y258 VanDerWaalsContact O-N 3.14Å; Y258-Q260 PolarHBondContact O-N 2.95Å; Y258-G261 PolarHBondContact O-N 3.11Å; Y258-S262 PolarHBondContact O-N 2.68Å; Y258-L265 HydrophobicContact CD1-CD1 4.23Å; Y258-L265 HydrophobicContact CE1-CD1 3.67Å
259A95.6Very high94.6Very high1 Ų155 Ų551%0.00830%0.303CS..Hα-helixtrans-61.9-46.1179.300000111.8L203 F255 L256 G261 S262 L265 M266L203-A259 HydrophobicContact CD1-CB 3.5Å; L203-A259 VanDerWaalsContact CD1-CB 3.5Å; F255-A259 HydrophobicContact CE2-CB 4.48Å; F255-A259 HydrophobicContact CZ-CB 4.23Å; F255-A259 WeakPolarHBondContact O-CB 3.46Å; F255-A259 PolarHBondContact O-N 3.12Å; L256-A259 PolarHBondContact O-N 3.06Å; A259-G261 PolarHBondContact O-N 2.99Å; A259-S262 PolarHBondContact O-N 2.84Å; A259-S262 VanDerWaalsContact O-N 3.11Å; A259-L265 HydrophobicContact CB-CD1 4.39Å; A259-M266 WeakPolarHBondContact O-CG 3.44Å
260Q92.8Very high94.9Very high118 Ų11854.9 Ų54.955%0.55130%0.303SS*.Hα-helixtrans-62.9-28.2176.9-73.9176.6-19.900113.8L256 Y258 M266L256-Q260 HydrophobicContact CD1-CG 4.19Å; L256-Q260 WeakPolarHBondContact O-CB 3.29Å; L256-Q260 VanDerWaalsContact O-CG 3.24Å; L256-Q260 WeakPolarHBondContact O-CG 3.31Å; L256-Q260 PolarHBondContact O-N 3.33Å; Y258-Q260 PolarHBondContact O-N 2.95Å; Q260-M266 HydrophobicContact CG-SD 4.39Å
261G94.7Very high95.1Very high67 Ų6753.6 Ų53.669%0.69129%0.292SS*.Hα-helixtrans-83.7-9.4176.800000114.4R257 Y258 A259R257-G261 PolarHBondContact O-N 3.06Å; Y258-G261 PolarHBondContact O-N 3.11Å; A259-G261 PolarHBondContact O-N 2.99Å
262S95.9Very high95.3Very high7 Ų751.8 Ų51.85%0.04928%0.284CS..  trans-100.3115.8-177.5-176.20000111.2E231 Y258 A259 V264 L265 M266E231-S262 WeakPolarHBondContact CG-OG 3.26Å; E231-S262 WeakPolarHBondContact OE1-CB 3.37Å; E231-S262 PolarHBondContact OE1-OG 2.88Å; Y258-S262 PolarHBondContact O-N 2.68Å; A259-S262 PolarHBondContact O-N 2.84Å; A259-S262 VanDerWaalsContact O-N 3.11Å; S262-V264 PolarHBondContact O-N 2.65Å; S262-L265 PolarHBondContact O-N 3.1Å; S262-M266 WeakPolarHBondContact O-CB 3.39Å; S262-M266 WeakPolarHBondContact O-CG 3.42Å; S262-M266 PolarHBondContact O-N 3Å
263E95.3Very high95.4Very high179 Ų17952 Ų5284%0.83628%0.284SS*.Hα-helixtrans-59.6-34.3176-65.7-177.6173.900112.1G267E263-G267 PolarHBondContact O-N 2.93Å
264V95.8Very high95.7Very high39 Ų3949.7 Ų49.724%0.23627%0.274CS..Hα-helixtrans-67.7-44.3-179.3178.60000110.9E231 C234 K235 S262 R268E231-V264 HydrophobicContact CG-CB 4.33Å; C234-V264 HydrophobicContact CB-CG1 3.83Å; K235-V264 HydrophobicContact CG-CG1 4.33Å; S262-V264 PolarHBondContact O-N 2.65Å; V264-R268 WeakPolarHBondContact O-CG 3.47Å
265L95.8Very high95.9Very high6 Ų645.3 Ų45.33%0.03125%0.253CS..Hα-helixtrans-76.1-42.9-177.8-55.1-177.8000110.9L230 E231 C234 Y258 A259 S262 G267 R268L230-L265 HydrophobicContact CD2-CD1 3.67Å; L230-L265 HydrophobicContact CD2-CD2 4.15Å; L230-L265 HydrophobicContact CG-CD1 4.12Å; L230-L265 HydrophobicContact CG-CD2 3.79Å; E231-L265 HydrophobicContact CG-CD1 4.49Å; E231-L265 HydrophobicContact CG-CD2 4.29Å; E231-L265 HydrophobicContact CG-CG 4.22Å; C234-L265 HydrophobicContact CB-CD2 4.35Å; Y258-L265 HydrophobicContact CD1-CD1 4.23Å; Y258-L265 HydrophobicContact CE1-CD1 3.67Å; A259-L265 HydrophobicContact CB-CD1 4.39Å; S262-L265 PolarHBondContact O-N 3.1Å; L265-G267 PolarHBondContact O-N 3.46Å; L265-R268 PolarHBondContact O-N 3.42Å; L265-R268 VanDerWaalsContact O-N 3.14Å
266M93.8Very high96Very high122 Ų12245.3 Ų45.360%0.60125%0.253SS*.Hα-helixtrans-64.4-27.9175.9-73.2-59.2-5800113.1A259 Q260 S262 R268A259-M266 WeakPolarHBondContact O-CG 3.44Å; Q260-M266 HydrophobicContact CG-SD 4.39Å; S262-M266 WeakPolarHBondContact O-CB 3.39Å; S262-M266 WeakPolarHBondContact O-CG 3.42Å; S262-M266 PolarHBondContact O-N 3Å; M266-R268 PolarHBondContact O-N 3.41Å
267G94.4Very high96.1Very high65 Ų6544 Ų4467%0.6725%0.245SC*.THydrogen-bonded Turntrans-74.1-4.717600000114.6E263 L265E263-G267 PolarHBondContact O-N 2.93Å; L265-G267 PolarHBondContact O-N 3.46Å
268R95.3Very high96.2Very high32 Ų3240.8 Ų40.812%0.12124%0.235CC..  trans-122.6105.7-173-69.3-170.364143.2-0.7112.7C234 W237 E238 G239 V264 L265 M266 N270 V271C234-R268 PolarHBondContact O-NH1 3.13Å; W237-R268 PolarHBondContact O-NH1 3.3Å; W237-R268 PolarHBondContact O-NH2 3.37Å; W237-R268 VanDerWaalsContact O-NH2 3.11Å; E238-R268 PolarHBondContact O-NH2 2.85Å; G239-R268 PolarHBondContact O-NH2 3.39Å; V264-R268 WeakPolarHBondContact O-CG 3.47Å; L265-R268 PolarHBondContact O-N 3.42Å; L265-R268 VanDerWaalsContact O-N 3.14Å; M266-R268 PolarHBondContact O-N 3.41Å; R268-N270 VanDerWaalsContact C-N 3.31Å; R268-N270 PolarHBondContact NE-OD1 2.9Å; R268-N270 PolarHBondContact NH2-ND2 2.8Å; R268-N270 PolarHBondContact NH2-OD1 3.49Å; R268-V271 HydrophobicContact CB-CG2 4.03Å
269G96.4Very high95.9Very high32 Ų3240.2 Ų40.233%0.3324%0.235SC..THydrogen-bonded Turntrans-76-15.6171.200000114.3Y205 E206 V271Y205-G269 WeakPolarHBondContact CA-O 3.41Å; E206-G269 PolarHBondContact N-O 3.42Å; E206-G269 CarbonylContact O-C 3.58Å; E206-G269 VanDerWaalsContact O-O 3.13Å; G269-V271 VanDerWaalsContact C-N 3.31Å; G269-V271 PolarHBondContact O-N 2.93Å
270N97.7Very high95.5Very high27 Ų2742.3 Ų42.314%0.14426%0.257CS..THydrogen-bonded Turntrans-9121.8-173.672.1-15.2000114.6Y207 E238 G239 P240 I241 R268Y207-N270 HydrophobicContact CD2-CB 3.59Å; Y207-N270 HydrophobicContact CE2-CB 4.34Å; Y207-N270 HydrophobicContact CG-CB 4.32Å; E238-N270 PolarHBondContact O-ND2 2.99Å; G239-N270 PolarHBondContact O-ND2 3.35Å; P240-N270 WeakPolarHBondContact CA-O 3.43Å; I241-N270 PolarHBondContact N-O 3.2Å; R268-N270 VanDerWaalsContact C-N 3.31Å; R268-N270 PolarHBondContact NE-OD1 2.9Å; R268-N270 PolarHBondContact NH2-ND2 2.8Å; R268-N270 PolarHBondContact NH2-OD1 3.49Å
271V98.3Very high95.3Very high0 Ų042.4 Ų42.40%026%0.257CS..EExtended strand (participates in β ladder)trans-115.4111.2178.4-174.70000109.8Y205 I241 L243 R268 G269 Y273Y205-V271 VanDerWaalsContact CD2-C 3.49Å; I241-V271 HydrophobicContact CB-CG1 4.14Å; I241-V271 HydrophobicContact CB-CG2 4.34Å; I241-V271 HydrophobicContact CD1-CG2 4.2Å; I241-V271 HydrophobicContact CG1-CG2 4.42Å; I241-V271 HydrophobicContact CG2-CG1 4.5Å; L243-V271 HydrophobicContact CD1-CG1 3.95Å; R268-V271 HydrophobicContact CB-CG2 4.03Å; G269-V271 VanDerWaalsContact C-N 3.31Å; G269-V271 PolarHBondContact O-N 2.93Å; V271-Y273 HydrophobicContact CB-CE2 3.78Å; V271-Y273 HydrophobicContact CG1-CD1 4.17Å; V271-Y273 HydrophobicContact CG1-CD2 4.21Å; V271-Y273 HydrophobicContact CG1-CE1 3.53Å; V271-Y273 HydrophobicContact CG1-CE2 3.61Å; V271-Y273 WeakPolarHBondContact CG1-OH 3.21Å; V271-Y273 VanDerWaalsContact O-CD2 3.25Å; V271-Y273 WeakPolarHBondContact O-CD2 3.36Å; V271-Y273 WeakPolarHBondContact O-CE2 3.44Å
272G98.3Very high95.2Very high1 Ų140.1 Ų40.11%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-83119.117600000110.7I241 L243I241-G272 PolarHBondContact O-N 3.18Å; L243-G272 PolarHBondContact N-O 2.79Å
273Y98.5Very high95.2Very high5 Ų541.8 Ų41.82%0.0223%0.234CC..EExtended strand (participates in β ladder)trans-107114.1177.5-59-80.5000110.1Y201 F202 L203 L230 L243 L245 F255 V271Y201-Y273 CarbonylContact C-O 3.58Å; Y201-Y273 VanDerWaalsContact CA-O 3.31Å; Y201-Y273 WeakPolarHBondContact CA-O 3.38Å; Y201-Y273 PolarHBondContact N-O 2.83Å; Y201-Y273 VanDerWaalsContact N-O 3.11Å; F202-Y273 PolarHBondContact N-O 2.91Å; L203-Y273 HydrophobicContact CB-CD2 3.8Å; L203-Y273 HydrophobicContact CB-CE2 4.36Å; L203-Y273 HydrophobicContact CD1-CD2 3.73Å; L203-Y273 HydrophobicContact CD1-CE2 3.84Å; L203-Y273 HydrophobicContact CD1-CG 4.2Å; L203-Y273 HydrophobicContact CG-CD2 4.06Å; L203-Y273 HydrophobicContact CG-CG 4.49Å; L230-Y273 HydrophobicContact CD1-CE1 4.3Å; L230-Y273 HydrophobicContact CD2-CE1 3.85Å; L243-Y273 HydrophobicContact CD1-CD1 4.2Å; L243-Y273 HydrophobicContact CD1-CE1 3.99Å; L245-Y273 HydrophobicContact CD1-CD1 4.05Å; L245-Y273 HydrophobicContact CD1-CG 4.46Å; F255-Y273 HydrophobicContact CE1-CD1 4.08Å; F255-Y273 HydrophobicContact CE1-CG 4.25Å; F255-Y273 AromaticContact CZ-CD1 3.49Å; F255-Y273 HydrophobicContact CZ-CD1 3.49Å; F255-Y273 VanDerWaalsContact CZ-CD1 3.49Å; F255-Y273 AromaticContact CZ-CE1 3.73Å; F255-Y273 HydrophobicContact CZ-CE1 3.73Å; F255-Y273 HydrophobicContact CZ-CG 4.08Å; V271-Y273 HydrophobicContact CB-CE2 3.78Å; V271-Y273 HydrophobicContact CG1-CD1 4.17Å; V271-Y273 HydrophobicContact CG1-CD2 4.21Å; V271-Y273 HydrophobicContact CG1-CE1 3.53Å; V271-Y273 HydrophobicContact CG1-CE2 3.61Å; V271-Y273 WeakPolarHBondContact CG1-OH 3.21Å; V271-Y273 VanDerWaalsContact O-CD2 3.25Å; V271-Y273 WeakPolarHBondContact O-CD2 3.36Å; V271-Y273 WeakPolarHBondContact O-CE2 3.44Å
274H98.7Very high95.2Very high1 Ų133.5 Ų33.51%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-114.6106.1-177.8-49.9-68.7000109.3H199 L200 Y201 S242 L243 A244 L245 V276 V291 Q295H199-H274 CarbonylContact O-C 3.57Å; H199-H274 WeakPolarHBondContact O-CA 3.05Å; L200-H274 HydrophobicContact CD2-CB 4.08Å; Y201-H274 AromaticContact CD1-CE1 3.63Å; Y201-H274 AromaticContact CE1-CE1 3.52Å; Y201-H274 AromaticContact CZ-CE1 3.78Å; Y201-H274 PolarHBondContact N-ND1 3.37Å; S242-H274 PolarHBondContact OG-NE2 3.49Å; L243-H274 PolarHBondContact O-CD2 3.38Å; L243-H274 PolarHBondContact O-N 3.24Å; A244-H274 CarbonylContact C-O 3.51Å; A244-H274 WeakPolarHBondContact CA-O 3.44Å; L245-H274 PolarHBondContact N-O 3.36Å; H274-V276 PolarHBondContact O-N 2.99Å; H274-V291 HydrophobicContact CB-CG1 3.93Å; H274-Q295 VanDerWaalsContact CE1-CG 3.47Å; H274-Q295 WeakPolarHBondContact CE1-CG 3.5Å; H274-Q295 WeakPolarHBondContact NE2-CB 3.46Å
275V98.4Very high95.3Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-82.8117.6-179.5178.50000109.3T198 H199 F202 L245 L247 A252 Y277T198-V275 CarbonylContact C-O 3.14Å; T198-V275 VanDerWaalsContact CA-O 3.3Å; T198-V275 WeakPolarHBondContact CA-O 3.49Å; H199-V275 HydrophobicContact CB-CB 4.34Å; H199-V275 PolarHBondContact N-O 3.03Å; H199-V275 PolarHBondContact O-N 2.67Å; F202-V275 HydrophobicContact CB-CG2 3.73Å; F202-V275 HydrophobicContact CD1-CG2 3.84Å; F202-V275 HydrophobicContact CD2-CG2 4.02Å; F202-V275 HydrophobicContact CE1-CG2 4.46Å; F202-V275 HydrophobicContact CG-CG2 3.58Å; L245-V275 HydrophobicContact CB-CG2 4.31Å; L245-V275 HydrophobicContact CD1-CG2 4.07Å; L245-V275 WeakPolarHBondContact O-CA 3.36Å; L247-V275 HydrophobicContact CB-CG1 4.14Å; L247-V275 HydrophobicContact CD1-CG1 4.29Å; L247-V275 HydrophobicContact CD1-CG2 4.21Å; L247-V275 HydrophobicContact CG-CG1 4.46Å; A252-V275 HydrophobicContact CB-CG1 4.19Å; V275-Y277 HydrophobicContact CG1-CD1 4.13Å; V275-Y277 HydrophobicContact CG1-CD2 4.25Å; V275-Y277 HydrophobicContact CG1-CE1 3.87Å; V275-Y277 HydrophobicContact CG1-CE2 4Å; V275-Y277 HydrophobicContact CG1-CG 4.33Å
276V98Very high95.3Very high0 Ų031.9 Ų31.90%019%0.186CC..EExtended strand (participates in β ladder)trans-102.6116170-178.10000107H196 T198 L245 Y246 L247 H274 L287 L288 V291H196-V276 HydrophobicContact CB-CG1 3.6Å; T198-V276 HydrophobicContact CG2-CG2 4.1Å; L245-V276 PolarHBondContact O-N 3.26Å; Y246-V276 WeakPolarHBondContact CA-O 3.3Å; Y246-V276 HydrophobicContact CD2-CB 4.47Å; Y246-V276 HydrophobicContact CD2-CG1 4.31Å; Y246-V276 WeakPolarHBondContact CD2-O 3.34Å; L247-V276 PolarHBondContact N-O 3.02Å; L247-V276 VanDerWaalsContact N-O 3.13Å; H274-V276 PolarHBondContact O-N 2.99Å; V276-L287 HydrophobicContact CG1-CD2 4.44Å; V276-L288 HydrophobicContact CB-CD2 3.54Å; V276-L288 HydrophobicContact CG1-CD2 3.81Å; V276-L288 HydrophobicContact CG2-CD2 3.74Å; V276-V291 HydrophobicContact CG2-CB 4.24Å; V276-V291 HydrophobicContact CG2-CG1 3.9Å; V276-V291 HydrophobicContact CG2-CG2 4.04Å
277Y96.1Very high95.5Very high13 Ų1327.2 Ų27.25%0.05116%0.164CC..EExtended strand (participates in β ladder)trans-76.1138.4-172.1-67.3-88.1000111.7H196 R197 H199 L247 D249 A252 V275 E279H196-Y277 PolarHBondContact CD2-O 3.08Å; R197-Y277 HydrophobicContact CB-CD2 3.79Å; R197-Y277 HydrophobicContact CB-CG 4.36Å; R197-Y277 HydrophobicContact CG-CD2 3.75Å; R197-Y277 HydrophobicContact CG-CE2 4.16Å; R197-Y277 VanDerWaalsContact CZ-CE2 3.46Å; R197-Y277 VanDerWaalsContact CZ-CG 3.43Å; R197-Y277 PolarHBondContact NH1-OH 3.33Å; R197-Y277 WeakPolarHBondContact O-CD2 3.49Å; R197-Y277 PolarHBondContact O-N 3.42Å; H199-Y277 HydrophobicContact CB-CE2 3.98Å; L247-Y277 CarbonylContact O-C 3.55Å; L247-Y277 WeakPolarHBondContact O-CA 3.43Å; D249-Y277 WeakPolarHBondContact OD1-CE1 3.33Å; A252-Y277 HydrophobicContact CB-CE1 4.11Å; V275-Y277 HydrophobicContact CG1-CD1 4.13Å; V275-Y277 HydrophobicContact CG1-CD2 4.25Å; V275-Y277 HydrophobicContact CG1-CE1 3.87Å; V275-Y277 HydrophobicContact CG1-CE2 4Å; V275-Y277 HydrophobicContact CG1-CG 4.33Å; Y277-E279 PolarHBondContact O-N 3.5Å
278K94.5Very high95.7Very high73 Ų7324.1 Ų24.132%0.31713%0.132SC..PPolyproline II helixtrans-56.5126.5-178.2-75.8178.5175.8174.30111.9N152 Y246 L247 E251N152-K278 PolarHBondContact ND2-O 3.3Å; Y246-K278 HydrophobicContact CD1-CG 3.88Å; Y246-K278 HydrophobicContact CD2-CG 4.24Å; Y246-K278 HydrophobicContact CE1-CB 4.44Å; Y246-K278 HydrophobicContact CE1-CG 3.7Å; Y246-K278 HydrophobicContact CE2-CB 4.32Å; Y246-K278 HydrophobicContact CE2-CG 4.04Å; Y246-K278 HydrophobicContact CG-CG 4.17Å; Y246-K278 VanDerWaalsContact O-CE 3.28Å; Y246-K278 WeakPolarHBondContact O-CE 3.25Å; L247-K278 PolarHBondContact O-N 3.44Å; E251-K278 IonicContact OE1-NZ 2.79Å; E251-K278 PolarHBondContact OE1-NZ 2.88Å; E251-K278 WeakPolarHBondContact OE2-CD 3.26Å; E251-K278 WeakPolarHBondContact OE2-CE 3.35Å; E251-K278 IonicContact OE2-NZ 2.7Å; E251-K278 PolarHBondContact OE2-NZ 2.76Å
279E90.5Very high95.9Very high56 Ų5623.2 Ų23.226%0.26213%0.128SC..  trans-160.4140.6176.4-173.9168.5-163.800109.4R155 T194 H196 Y246 Y277R155-E279 IonicContact NH1-OE2 3.37Å; T194-E279 HydrophobicContact CG2-CB 4.45Å; T194-E279 HydrophobicContact CG2-CG 3.91Å; H196-E279 PolarHBondContact NE2-O 3.21Å; Y246-E279 PolarHBondContact OH-N 3.17Å; Y246-E279 PolarHBondContact OH-O 3.42Å; Y277-E279 PolarHBondContact O-N 3.5Å
280G87.1Confident96Very high46 Ų4621.9 Ų21.947%0.47411%0.113SC..SBendtrans89.9179.2-17800000114.3E191E191-G280 WeakPolarHBondContact OE1-CA 3.09Å
281Q87.7Confident96Very high119 Ų11921.1 Ų21.156%0.55611%0.11SC*.SBendtrans-95.9-19.7-173.9-64-163.71.900114.2E191 K458E191-Q281 PolarHBondContact OE1-N 3.17Å; Q281-K458 PolarHBondContact O-NZ 3.16Å
282F92.9Very high96.1Very high19 Ų1921.1 Ų21.18%0.08311%0.11CC..SBendtrans-111.1154.2-176.2-61-79.6000110.9E187 F188 E191 P284 V417 Y465E187-F282 HydrophobicContact CB-CE2 4Å; F188-F282 HydrophobicContact CD2-CE2 4.4Å; F188-F282 HydrophobicContact CD2-CZ 4.08Å; F188-F282 HydrophobicContact CE2-CE1 4.2Å; F188-F282 AromaticContact CE2-CZ 3.84Å; F188-F282 HydrophobicContact CE2-CZ 3.84Å; F188-F282 HydrophobicContact CZ-CE1 4.19Å; F188-F282 HydrophobicContact CZ-CZ 4.26Å; E191-F282 HydrophobicContact CG-CB 4.45Å; E191-F282 HydrophobicContact CG-CD2 3.64Å; E191-F282 HydrophobicContact CG-CE2 4.43Å; F282-P284 VanDerWaalsContact O-CD 3.3Å; F282-P284 WeakPolarHBondContact O-CD 3.4Å; F282-V417 HydrophobicContact CB-CB 3.95Å; F282-V417 HydrophobicContact CB-CG2 3.77Å; F282-V417 HydrophobicContact CD1-CG2 4.49Å; F282-V417 HydrophobicContact CD2-CG2 4.01Å; F282-V417 HydrophobicContact CG-CG2 3.83Å; F282-Y465 AromaticContact CD1-CE2 3.92Å; F282-Y465 HydrophobicContact CD1-CE2 3.92Å; F282-Y465 AromaticContact CE1-CD2 3.84Å; F282-Y465 HydrophobicContact CE1-CD2 3.84Å; F282-Y465 AromaticContact CE1-CE2 3.54Å; F282-Y465 HydrophobicContact CE1-CE2 3.54Å
283Y95Very high96.1Very high42 Ų4221.6 Ų21.617%0.16511%0.112CC..  trans-71.5117168.7-168.3-100.4000110.1Q221 Y246 V285 L288 G418 D455Q221-Y283 PolarHBondContact OE1-OH 3.18Å; Y246-Y283 AromaticContact CD1-CD2 3.47Å; Y246-Y283 HydrophobicContact CD1-CD2 3.47Å; Y246-Y283 VanDerWaalsContact CD1-CD2 3.47Å; Y246-Y283 AromaticContact CD1-CE2 3.41Å; Y246-Y283 HydrophobicContact CD1-CE2 3.41Å; Y246-Y283 VanDerWaalsContact CD1-CE2 3.41Å; Y246-Y283 AromaticContact CE1-CD2 3.91Å; Y246-Y283 HydrophobicContact CE1-CD2 3.91Å; Y246-Y283 HydrophobicContact CE1-CE2 4.3Å; Y246-Y283 HydrophobicContact CG-CD2 4.34Å; Y246-Y283 AromaticContact CG-CE2 3.94Å; Y246-Y283 HydrophobicContact CG-CE2 3.94Å; Y283-V285 HydrophobicContact CD1-CB 3.88Å; Y283-V285 HydrophobicContact CE1-CB 4.15Å; Y283-V285 HydrophobicContact CE1-CG2 4.39Å; Y283-V285 PolarHBondContact O-N 2.79Å; Y283-L288 HydrophobicContact CD1-CD1 4.22Å; Y283-L288 HydrophobicContact CE1-CD1 3.45Å; Y283-L288 VanDerWaalsContact CE1-CD1 3.45Å; Y283-L288 HydrophobicContact CE2-CD1 3.98Å; Y283-L288 WeakPolarHBondContact OH-CD1 3.44Å; Y283-G418 WeakPolarHBondContact O-CA 3.5Å; Y283-G418 PolarHBondContact O-N 3.11Å; Y283-D455 WeakPolarHBondContact CB-OD2 3.3Å; Y283-D455 PolarHBondContact N-OD2 3.29Å
284P96.5Very high96Very high5 Ų525.9 Ų25.93%0.03213%0.132CC..  trans-83.757.6-171.635.9-36.4000111.4Y246 F282 N286 L287 L288Y246-P284 HydrophobicContact CD2-CG 4.13Å; Y246-P284 HydrophobicContact CE2-CG 3.69Å; Y246-P284 VanDerWaalsContact CZ-CD 3.49Å; F282-P284 VanDerWaalsContact O-CD 3.3Å; F282-P284 WeakPolarHBondContact O-CD 3.4Å; P284-N286 VanDerWaalsContact C-N 3.3Å; P284-N286 PolarHBondContact O-N 2.85Å; P284-N286 VanDerWaalsContact O-N 3.12Å; P284-L287 HydrophobicContact CB-CB 4.1Å; P284-L287 HydrophobicContact CB-CD2 4.23Å; P284-L287 HydrophobicContact CG-CD2 4.48Å; P284-L287 WeakPolarHBondContact O-CB 3.42Å; P284-L287 PolarHBondContact O-N 2.84Å; P284-L288 HydrophobicContact CG-CD1 4.45Å; P284-L288 HydrophobicContact CG-CG 4.26Å; P284-L288 WeakPolarHBondContact O-CG 3.41Å; P284-L288 PolarHBondContact O-N 2.83Å
285V96.6Very high96Very high9 Ų927.5 Ų27.56%0.05514%0.14CC..Hα-helixtrans-50-43.8-168.864.20000114Y283 L288 R289 N422Y283-V285 HydrophobicContact CD1-CB 3.88Å; Y283-V285 HydrophobicContact CE1-CB 4.15Å; Y283-V285 HydrophobicContact CE1-CG2 4.39Å; Y283-V285 PolarHBondContact O-N 2.79Å; V285-L288 PolarHBondContact O-N 2.89Å; V285-R289 WeakPolarHBondContact O-CG 3.46Å; V285-R289 PolarHBondContact O-N 2.99Å; V285-N422 HydrophobicContact CG1-CB 3.75Å
286N97.8Very high96Very high2 Ų227.6 Ų27.61%0.01114%0.14CC..Hα-helixtrans-74.7-35.3-177.6-79-4.4000112.4P284 L288 R289 N290 Y412 D413 F416 N422P284-N286 VanDerWaalsContact C-N 3.3Å; P284-N286 PolarHBondContact O-N 2.85Å; P284-N286 VanDerWaalsContact O-N 3.12Å; N286-L288 VanDerWaalsContact C-N 3.34Å; N286-R289 PolarHBondContact O-N 2.88Å; N286-R289 PolarHBondContact OD1-NH1 3.44Å; N286-N290 WeakPolarHBondContact O-CB 3.45Å; N286-N290 PolarHBondContact O-N 2.81Å; N286-N290 PolarHBondContact O-ND2 3.26Å; N286-N290 PolarHBondContact O-OD1 3.23Å; N286-Y412 VanDerWaalsContact CG-CB 3.45Å; N286-Y412 WeakPolarHBondContact OD1-CD1 3.41Å; N286-D413 PolarHBondContact ND2-O 3.34Å; N286-F416 PolarHBondContact ND2-O 3.27Å; N286-N422 WeakPolarHBondContact OD1-CB 3.43Å
287L97.9Very high95.8Very high25 Ų2530.7 Ų30.713%0.13116%0.157CC..Hα-helixtrans-60.4-46.1169.9176.373.3000110.6H196 V276 P284 R289 N290 V291H196-L287 HydrophobicContact CB-CD2 4.11Å; H196-L287 WeakPolarHBondContact ND1-CD2 3.39Å; V276-L287 HydrophobicContact CG1-CD2 4.44Å; P284-L287 HydrophobicContact CB-CB 4.1Å; P284-L287 HydrophobicContact CB-CD2 4.23Å; P284-L287 HydrophobicContact CG-CD2 4.48Å; P284-L287 WeakPolarHBondContact O-CB 3.42Å; P284-L287 PolarHBondContact O-N 2.84Å; L287-R289 PolarHBondContact O-N 2.78Å; L287-N290 PolarHBondContact O-N 2.88Å; L287-V291 HydrophobicContact CD1-CG2 4.45Å; L287-V291 HydrophobicContact CG-CG2 4.4Å; L287-V291 WeakPolarHBondContact O-CG2 3.17Å; L287-V291 PolarHBondContact O-N 2.93Å
288L98.5Very high95.9Very high0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-61.8-43.9-179.8-61.1170.7000111.5Q221 A244 Y246 V276 Y283 P284 V285 N286 N290 V291 A292Q221-L288 HydrophobicContact CB-CB 3.68Å; Q221-L288 HydrophobicContact CB-CD1 4.46Å; Q221-L288 HydrophobicContact CG-CB 4.03Å; A244-L288 HydrophobicContact CB-CB 3.92Å; A244-L288 HydrophobicContact CB-CD2 4.26Å; A244-L288 WeakPolarHBondContact CB-O 3.3Å; Y246-L288 HydrophobicContact CD2-CD2 4Å; Y246-L288 HydrophobicContact CG-CD1 4.16Å; Y246-L288 HydrophobicContact CG-CD2 4.32Å; V276-L288 HydrophobicContact CB-CD2 3.54Å; V276-L288 HydrophobicContact CG1-CD2 3.81Å; V276-L288 HydrophobicContact CG2-CD2 3.74Å; Y283-L288 HydrophobicContact CD1-CD1 4.22Å; Y283-L288 HydrophobicContact CE1-CD1 3.45Å; Y283-L288 VanDerWaalsContact CE1-CD1 3.45Å; Y283-L288 HydrophobicContact CE2-CD1 3.98Å; Y283-L288 WeakPolarHBondContact OH-CD1 3.44Å; P284-L288 HydrophobicContact CG-CD1 4.45Å; P284-L288 HydrophobicContact CG-CG 4.26Å; P284-L288 WeakPolarHBondContact O-CG 3.41Å; P284-L288 PolarHBondContact O-N 2.83Å; V285-L288 PolarHBondContact O-N 2.89Å; N286-L288 VanDerWaalsContact C-N 3.34Å; L288-N290 VanDerWaalsContact C-N 3.34Å; L288-N290 PolarHBondContact O-N 2.95Å; L288-V291 PolarHBondContact O-N 2.94Å; L288-A292 PolarHBondContact O-N 3.39Å; L288-A292 VanDerWaalsContact O-N 3.09Å
289R98.4Very high96Very high13 Ų1330.2 Ų30.25%0.04916%0.159CC..Hα-helixtrans-58.1-46.8173.4-72.4178.2175.8142.2-4.7111Q221 V285 N286 L287 V291 A292 M293 D305 Y412 N422Q221-R289 HydrophobicContact CG-CG 4.01Å; V285-R289 WeakPolarHBondContact O-CG 3.46Å; V285-R289 PolarHBondContact O-N 2.99Å; N286-R289 PolarHBondContact O-N 2.88Å; N286-R289 PolarHBondContact OD1-NH1 3.44Å; L287-R289 PolarHBondContact O-N 2.78Å; R289-V291 PolarHBondContact O-N 3.34Å; R289-A292 PolarHBondContact O-N 3.39Å; R289-M293 WeakPolarHBondContact O-CB 3.26Å; R289-M293 WeakPolarHBondContact O-CG 3.45Å; R289-M293 PolarHBondContact O-N 2.79Å; R289-D305 IonicContact CZ-OD1 3.4Å; R289-D305 IonicContact NE-OD1 3.81Å; R289-D305 IonicContact NH2-OD1 3.97Å; R289-D305 PolarHBondContact NH2-OD1 3.29Å; R289-D305 IonicContact NH2-OD2 2.97Å; R289-Y412 HydrophobicContact CB-CD2 3.61Å; R289-Y412 HydrophobicContact CB-CE2 3.85Å; R289-Y412 HydrophobicContact CB-CG 4.17Å; R289-Y412 HydrophobicContact CG-CD2 4.38Å; R289-Y412 HydrophobicContact CG-CE2 4.28Å; R289-N422 PolarHBondContact NH1-OD1 2.79Å
290N98.4Very high96.4Very high3 Ų328 Ų282%0.01615%0.148CC..Hα-helixtrans-64.1-42.5179.6-63.5-6.1000112.2N286 L287 L288 A292 M293 Q294 E411 Y412N286-N290 WeakPolarHBondContact O-CB 3.45Å; N286-N290 PolarHBondContact O-N 2.81Å; N286-N290 PolarHBondContact O-ND2 3.26Å; N286-N290 PolarHBondContact O-OD1 3.23Å; L287-N290 PolarHBondContact O-N 2.88Å; L288-N290 VanDerWaalsContact C-N 3.34Å; L288-N290 PolarHBondContact O-N 2.95Å; N290-A292 VanDerWaalsContact C-N 3.29Å; N290-A292 PolarHBondContact O-N 3.24Å; N290-M293 PolarHBondContact O-N 3.45Å; N290-Q294 WeakPolarHBondContact O-CB 3.37Å; N290-Q294 VanDerWaalsContact O-CG 3.22Å; N290-Q294 WeakPolarHBondContact O-CG 3.28Å; N290-Q294 PolarHBondContact O-N 2.85Å; N290-E411 PolarHBondContact ND2-OE2 2.7Å; N290-Y412 PolarHBondContact ND2-O 3.14Å; N290-Y412 WeakPolarHBondContact OD1-CB 3.5Å; N290-Y412 PolarHBondContact OD1-N 3.15Å
291V98.7Very high97Very high12 Ų1225.9 Ų25.97%0.07313%0.126CC..Hα-helixtrans-55.4-47.5174.7167.90000110T198 L200 A244 H274 V276 L287 L288 R289 Q295T198-V291 HydrophobicContact CG2-CG1 4.01Å; L200-V291 HydrophobicContact CD2-CG1 4.2Å; A244-V291 HydrophobicContact CB-CB 4.4Å; A244-V291 HydrophobicContact CB-CG1 4.36Å; H274-V291 HydrophobicContact CB-CG1 3.93Å; V276-V291 HydrophobicContact CG2-CB 4.24Å; V276-V291 HydrophobicContact CG2-CG1 3.9Å; V276-V291 HydrophobicContact CG2-CG2 4.04Å; L287-V291 HydrophobicContact CD1-CG2 4.45Å; L287-V291 HydrophobicContact CG-CG2 4.4Å; L287-V291 WeakPolarHBondContact O-CG2 3.17Å; L287-V291 PolarHBondContact O-N 2.93Å; L288-V291 PolarHBondContact O-N 2.94Å; R289-V291 PolarHBondContact O-N 3.34Å; V291-Q295 WeakPolarHBondContact O-CG 3.35Å
292A98.7Very high97.5Very high0 Ų020.2 Ų20.20%010%0.099CC..Hα-helixtrans-67.3-42.3178.100000112.6V219 S242 A244 L288 R289 N290 Q294 Q295V219-A292 HydrophobicContact CG1-CB 3.66Å; S242-A292 WeakPolarHBondContact CB-O 3.45Å; S242-A292 WeakPolarHBondContact OG-CA 3.42Å; S242-A292 PolarHBondContact OG-O 2.79Å; A244-A292 HydrophobicContact CB-CB 4.11Å; L288-A292 PolarHBondContact O-N 3.39Å; L288-A292 VanDerWaalsContact O-N 3.09Å; R289-A292 PolarHBondContact O-N 3.39Å; N290-A292 VanDerWaalsContact C-N 3.29Å; N290-A292 PolarHBondContact O-N 3.24Å; A292-Q294 PolarHBondContact O-N 2.49Å; A292-Q295 PolarHBondContact O-N 2.79Å
293M98.5Very high97.8Very high10 Ų1019.7 Ų19.75%0.04910%0.097CC..Hα-helixtrans-60.4-42.1178-71.1167.371.400112.5V219 R289 N290 Q295 V296 M301 L303 Y412V219-M293 HydrophobicContact CG1-CG 3.89Å; R289-M293 WeakPolarHBondContact O-CB 3.26Å; R289-M293 WeakPolarHBondContact O-CG 3.45Å; R289-M293 PolarHBondContact O-N 2.79Å; N290-M293 PolarHBondContact O-N 3.45Å; M293-Q295 PolarHBondContact O-N 3.41Å; M293-V296 WeakPolarHBondContact O-CB 3.47Å; M293-V296 WeakPolarHBondContact O-CG2 3.41Å; M293-V296 PolarHBondContact O-N 2.86Å; M293-V296 VanDerWaalsContact O-N 3.14Å; M293-M301 HydrophobicContact CB-SD 4.18Å; M293-M301 HydrophobicContact CE-CE 3.42Å; M293-M301 VanDerWaalsContact CE-CE 3.42Å; M293-M301 HydrophobicContact CE-SD 4.12Å; M293-M301 HydrophobicContact CG-CE 4.45Å; M293-M301 HydrophobicContact CG-SD 3.9Å; M293-L303 HydrophobicContact CG-CD2 4.07Å; M293-L303 HydrophobicContact SD-CD2 4.29Å; M293-Y412 HydrophobicContact CE-CD2 4.46Å; M293-Y412 HydrophobicContact CE-CE2 4.39Å; M293-Y412 HydrophobicContact SD-CD2 3.51Å; M293-Y412 VanDerWaalsContact SD-CD2 3.51Å; M293-Y412 HydrophobicContact SD-CE2 3.5Å; M293-Y412 WeakPolarHBondContact SD-CE2 3.5Å
294Q98.1Very high97.9Very high95 Ų9518 Ų1844%0.4449%0.092SC..Hα-helixtrans-62.5-27.9-178.1-74.4170.41.100112.8N290 A292 R407 E411N290-Q294 WeakPolarHBondContact O-CB 3.37Å; N290-Q294 VanDerWaalsContact O-CG 3.22Å; N290-Q294 WeakPolarHBondContact O-CG 3.28Å; N290-Q294 PolarHBondContact O-N 2.85Å; A292-Q294 PolarHBondContact O-N 2.49Å; Q294-R407 PolarHBondContact O-NH2 2.99Å; Q294-E411 PolarHBondContact NE2-OE1 2.77Å
295Q97.9Very high97.8Very high36 Ų3619.2 Ų19.217%0.16810%0.098CC..THydrogen-bonded Turntrans-92.21.1-179.7-52.1-47.1-55.300114L200 Y201 H274 V291 A292 M293 N297L200-Q295 HydrophobicContact CD2-CG 3.92Å; Y201-Q295 PolarHBondContact OH-O 3Å; H274-Q295 VanDerWaalsContact CE1-CG 3.47Å; H274-Q295 WeakPolarHBondContact CE1-CG 3.5Å; H274-Q295 WeakPolarHBondContact NE2-CB 3.46Å; V291-Q295 WeakPolarHBondContact O-CG 3.35Å; A292-Q295 PolarHBondContact O-N 2.79Å; M293-Q295 PolarHBondContact O-N 3.41Å; Q295-N297 PolarHBondContact O-N 2.81Å
296V97.9Very high97.9Very high1 Ų119 Ų191%0.00610%0.097CC..  trans-64.9125174.4169.70000109.5T217 V219 M293 T298 M301 R407T217-V296 HydrophobicContact CG2-CG1 4.34Å; T217-V296 HydrophobicContact CG2-CG2 3.93Å; V219-V296 HydrophobicContact CG2-CG2 3.4Å; M293-V296 WeakPolarHBondContact O-CB 3.47Å; M293-V296 WeakPolarHBondContact O-CG2 3.41Å; M293-V296 PolarHBondContact O-N 2.86Å; M293-V296 VanDerWaalsContact O-N 3.14Å; V296-T298 WeakPolarHBondContact CG1-OG1 3.47Å; V296-M301 HydrophobicContact CG1-CB 4.36Å; V296-M301 HydrophobicContact CG2-CB 4.31Å; V296-M301 HydrophobicContact CG2-SD 4.37Å; V296-R407 WeakPolarHBondContact O-CD 3.31Å; V296-R407 PolarHBondContact O-NE 3.05Å; V296-R407 PolarHBondContact O-NH1 3.33Å; V296-R407 PolarHBondContact O-NH2 2.7Å
297N94.6Very high97.8Very high66 Ų6619.9 Ų19.935%0.35310%0.101SC..  trans-100.50.4178.1-69.5-21.2000114.4Q295Q295-N297 PolarHBondContact O-N 2.81Å
298T97.7Very high97.8Very high3 Ų318.8 Ų18.82%0.01810%0.095CC..SBendtrans-95.5162.3175.857.50000111.8Y207 D215 T217 P240 V296 Y300Y207-T298 HydrophobicContact CE1-CG2 3.92Å; D215-T298 HydrophobicContact CB-CG2 3.55Å; D215-T298 WeakPolarHBondContact O-CB 3.28Å; T217-T298 WeakPolarHBondContact CB-OG1 3.45Å; T217-T298 PolarHBondContact N-OG1 3.03Å; T217-T298 VanDerWaalsContact OG1-CG2 3.31Å; T217-T298 WeakPolarHBondContact OG1-CG2 3.35Å; T217-T298 PolarHBondContact OG1-OG1 2.85Å; P240-T298 HydrophobicContact CG-CG2 3.84Å; V296-T298 WeakPolarHBondContact CG1-OG1 3.47Å; T298-Y300 VanDerWaalsContact C-N 3.26Å; T298-Y300 PolarHBondContact O-N 3.5Å; T298-Y300 PolarHBondContact OG1-O 3Å
299N97.3Very high97.8Very high72 Ų7219.4 Ų19.439%0.38510%0.099SC..SBendtrans-70.8-22.5178.7-76.7-5.2000113.5Q213 K406 R407Q213-N299 WeakPolarHBondContact CB-ND2 3.32Å; Q213-N299 PolarHBondContact OE1-ND2 3.22Å; N299-K406 WeakPolarHBondContact O-CA 3.45Å; N299-R407 PolarHBondContact O-N 3.14Å
300Y98.6Very high97.7Very high10 Ų1018.9 Ų18.94%0.03910%0.097CC..EExtended strand (participates in β ladder)trans-126.9151.5-177.1-53.4-79.4000110.9Q213 V216 T217 T298 V322 M327 A328 M404 V405 K406Q213-Y300 WeakPolarHBondContact O-CE2 3.46Å; V216-Y300 WeakPolarHBondContact CA-O 3.2Å; T217-Y300 PolarHBondContact N-O 3.02Å; T298-Y300 VanDerWaalsContact C-N 3.26Å; T298-Y300 PolarHBondContact O-N 3.5Å; T298-Y300 PolarHBondContact OG1-O 3Å; Y300-V322 HydrophobicContact CD1-CG2 4.22Å; Y300-V322 HydrophobicContact CD2-CG1 4Å; Y300-V322 HydrophobicContact CD2-CG2 3.68Å; Y300-V322 HydrophobicContact CE1-CG1 4.3Å; Y300-V322 HydrophobicContact CE1-CG2 4.36Å; Y300-V322 HydrophobicContact CE2-CB 4.25Å; Y300-V322 HydrophobicContact CE2-CG1 3.31Å; Y300-V322 HydrophobicContact CE2-CG2 3.87Å; Y300-V322 HydrophobicContact CG-CG2 3.88Å; Y300-V322 VanDerWaalsContact CZ-CG1 3.48Å; Y300-M327 HydrophobicContact CD1-CB 4.39Å; Y300-M327 HydrophobicContact CE1-CB 3.55Å; Y300-A328 WeakPolarHBondContact OH-CA 3.37Å; Y300-A328 PolarHBondContact OH-N 3.3Å; Y300-M404 HydrophobicContact CD1-CE 4.25Å; Y300-V405 WeakPolarHBondContact CA-O 3.43Å; Y300-K406 HydrophobicContact CD1-CG 3.95Å; Y300-K406 HydrophobicContact CE1-CG 3.68Å
301M98.4Very high97.7Very high1 Ų119.7 Ų19.71%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-136.8142176.455.8-171.9170.500111.4T217 V219 M293 V296 L303 M404 V405 K406 S409T217-M301 CarbonylContact O-C 3.38Å; T217-M301 WeakPolarHBondContact O-CA 3.36Å; V219-M301 HydrophobicContact CG2-CB 3.83Å; V219-M301 HydrophobicContact CG2-SD 4.39Å; M293-M301 HydrophobicContact CB-SD 4.18Å; M293-M301 HydrophobicContact CE-CE 3.42Å; M293-M301 VanDerWaalsContact CE-CE 3.42Å; M293-M301 HydrophobicContact CE-SD 4.12Å; M293-M301 HydrophobicContact CG-CE 4.45Å; M293-M301 HydrophobicContact CG-SD 3.9Å; V296-M301 HydrophobicContact CG1-CB 4.36Å; V296-M301 HydrophobicContact CG2-CB 4.31Å; V296-M301 HydrophobicContact CG2-SD 4.37Å; M301-L303 HydrophobicContact CB-CD2 4.5Å; M301-L303 HydrophobicContact CE-CD2 4.46Å; M301-L303 HydrophobicContact CG-CD2 3.96Å; M301-L303 HydrophobicContact SD-CD2 3.91Å; M301-M404 CarbonylContact O-C 3.51Å; M301-M404 VanDerWaalsContact O-CA 3.25Å; M301-M404 WeakPolarHBondContact O-CA 3.43Å; M301-V405 HydrophobicContact CE-CG2 3.88Å; M301-V405 HydrophobicContact CG-CG2 3.95Å; M301-V405 PolarHBondContact N-O 3.11Å; M301-V405 PolarHBondContact O-N 3.33Å; M301-K406 WeakPolarHBondContact CE-O 3.4Å; M301-S409 WeakPolarHBondContact CE-OG 3.29Å
302F98.8Very high97.6Very high0 Ų024.8 Ų24.80%012%0.119CC..EExtended strand (participates in β ladder)trans-102.9111.7172.5177.8-126.5000109.2V216 T217 L218 V219 W237 S304 L314 L318 V336 M404 M445V216-F302 HydrophobicContact CG1-CB 3.9Å; T217-F302 PolarHBondContact O-N 2.78Å; L218-F302 HydrophobicContact CD1-CD1 4.23Å; L218-F302 HydrophobicContact CG-CD1 4.28Å; V219-F302 PolarHBondContact N-O 3.29Å; W237-F302 HydrophobicContact CH2-CB 4.16Å; W237-F302 HydrophobicContact CH2-CD1 4.32Å; W237-F302 HydrophobicContact CZ3-CD1 4.14Å; F302-S304 PolarHBondContact O-N 3.01Å; F302-L314 HydrophobicContact CE1-CD2 4.04Å; F302-L314 HydrophobicContact CZ-CD2 4.28Å; F302-L318 HydrophobicContact CB-CD1 4.23Å; F302-L318 HydrophobicContact CD2-CD1 4.36Å; F302-L318 HydrophobicContact CG-CD1 4.16Å; F302-V336 HydrophobicContact CD2-CG2 4.29Å; F302-V336 HydrophobicContact CE2-CB 3.85Å; F302-V336 HydrophobicContact CE2-CG2 3.57Å; F302-V336 HydrophobicContact CZ-CB 4.07Å; F302-V336 HydrophobicContact CZ-CG1 4.24Å; F302-V336 HydrophobicContact CZ-CG2 4.05Å; F302-M404 HydrophobicContact CD2-CB 4.31Å; F302-M445 HydrophobicContact CE1-CE 4.39Å; F302-M445 HydrophobicContact CZ-CE 3.97Å; F302-M445 HydrophobicContact CZ-SD 3.68Å
303L98.6Very high97.6Very high9 Ų927 Ų275%0.04714%0.142CC..EExtended strand (participates in β ladder)trans-86.5106-174.9-54.7178.1000109.2V219 M293 M301 V403 V405 Y412V219-L303 HydrophobicContact CB-CD2 4Å; V219-L303 HydrophobicContact CG1-CD2 4.25Å; V219-L303 HydrophobicContact CG2-CD2 4.38Å; M293-L303 HydrophobicContact CG-CD2 4.07Å; M293-L303 HydrophobicContact SD-CD2 4.29Å; M301-L303 HydrophobicContact CB-CD2 4.5Å; M301-L303 HydrophobicContact CE-CD2 4.46Å; M301-L303 HydrophobicContact CG-CD2 3.96Å; M301-L303 HydrophobicContact SD-CD2 3.91Å; L303-V403 HydrophobicContact CD1-CG2 4.35Å; L303-V403 PolarHBondContact N-O 2.78Å; L303-V405 HydrophobicContact CD1-CG2 3.81Å; L303-V405 HydrophobicContact CG-CG2 4.18Å; L303-Y412 HydrophobicContact CD1-CE2 4.22Å; L303-Y412 WeakPolarHBondContact CD1-OH 3.44Å
304S97.1Very high97.6Very high6 Ų626.5 Ų26.54%0.04214%0.139CC..  trans-125.9155-175.9-171.30000111.8V219 A220 F302 M445V219-S304 PolarHBondContact O-N 3.47Å; V219-S304 VanDerWaalsContact O-O 3.05Å; A220-S304 WeakPolarHBondContact CA-O 3.43Å; A220-S304 WeakPolarHBondContact CB-O 3.35Å; F302-S304 PolarHBondContact O-N 3.01Å; S304-M445 VanDerWaalsContact OG-CE 3.22Å; S304-M445 WeakPolarHBondContact OG-CE 3.31Å
305D96.3Very high97.6Very high31 Ų3122.9 Ų22.917%0.16612%0.122CC..  trans-87.8152.6163.2-66-28.6000109.5R289 D307 F308 Y402R289-D305 IonicContact CZ-OD1 3.4Å; R289-D305 IonicContact NE-OD1 3.81Å; R289-D305 IonicContact NH2-OD1 3.97Å; R289-D305 PolarHBondContact NH2-OD1 3.29Å; R289-D305 IonicContact NH2-OD2 2.97Å; D305-D307 PolarHBondContact O-N 3.37Å; D305-F308 HydrophobicContact CB-CD2 3.92Å; D305-F308 HydrophobicContact CB-CE2 4.2Å; D305-F308 PolarHBondContact O-N 2.79Å; D305-Y402 HydrophobicContact CB-CE1 4.3Å; D305-Y402 PolarHBondContact OD2-OH 3.3Å
306I97.1Very high97.6Very high5 Ų525 Ų253%0.02613%0.132CC..THydrogen-bonded Turntrans-65.5-21.8-176.9-162.276.8000113.3A220 L222 R226 M229 I233 L243 F308A220-I306 HydrophobicContact CB-CD1 4.38Å; L222-I306 HydrophobicContact CB-CB 4.03Å; L222-I306 HydrophobicContact CB-CD1 4.21Å; L222-I306 HydrophobicContact CB-CG1 3.84Å; L222-I306 HydrophobicContact CB-CG2 3.93Å; L222-I306 HydrophobicContact CD1-CD1 3.85Å; L222-I306 HydrophobicContact CD1-CG1 3.91Å; L222-I306 HydrophobicContact CD2-CD1 4.36Å; L222-I306 HydrophobicContact CG-CD1 4.37Å; L222-I306 HydrophobicContact CG-CG1 4.41Å; R226-I306 HydrophobicContact CB-CG2 3.83Å; R226-I306 HydrophobicContact CG-CG2 4.02Å; M229-I306 HydrophobicContact CB-CG1 3.96Å; M229-I306 WeakPolarHBondContact CB-O 3.46Å; I233-I306 HydrophobicContact CD1-CD1 3.44Å; I233-I306 VanDerWaalsContact CD1-CD1 3.44Å; I233-I306 HydrophobicContact CD1-CG1 3.9Å; I233-I306 VanDerWaalsContact CD1-O 3.26Å; I233-I306 WeakPolarHBondContact CD1-O 3.19Å; L243-I306 HydrophobicContact CD2-CD1 4.22Å; I306-F308 PolarHBondContact O-N 2.74Å
307D96.2Very high97.6Very high20 Ų2027.1 Ų27.111%0.10714%0.14CC..THydrogen-bonded Turntrans-80.55.3-178.9-70.1-51.4000113.2R226 D305 H447 M448 H450R226-D307 WeakPolarHBondContact CD-OD1 3.28Å; R226-D307 IonicContact NE-OD1 2.67Å; R226-D307 PolarHBondContact NE-OD1 3.48Å; R226-D307 IonicContact NE-OD2 3.03Å; R226-D307 PolarHBondContact NE-OD2 3.43Å; R226-D307 VanDerWaalsContact NE-OD2 3.12Å; D305-D307 PolarHBondContact O-N 3.37Å; D307-H447 WeakPolarHBondContact O-CA 3.49Å; D307-M448 PolarHBondContact O-N 3.16Å; D307-H450 IonicContact OD1-CD2 3.81Å; D307-H450 IonicContact OD1-CG 2.7Å; D307-H450 IonicContact OD2-CD2 2.83Å; D307-H450 PolarHBondContact OD2-CD2 3.34Å; D307-H450 VanDerWaalsContact OD2-CD2 3.25Å; D307-H450 IonicContact OD2-CE1 2.67Å; D307-H450 IonicContact OD2-CG 3.38Å; D307-H450 IonicContact OD2-NE2 3.95Å; D307-H450 PolarHBondContact OD2-NE2 3.32Å
308F97.7Very high97.8Very high2 Ų224 Ų241%0.00912%0.123CC..EExtended strand (participates in β ladder)trans-109.9133.3178.5-74.1-98.5000112.5D305 I306 A338 F367 Y402 M445 I446 H447D305-F308 HydrophobicContact CB-CD2 3.92Å; D305-F308 HydrophobicContact CB-CE2 4.2Å; D305-F308 PolarHBondContact O-N 2.79Å; I306-F308 PolarHBondContact O-N 2.74Å; F308-A338 HydrophobicContact CE1-CB 3.83Å; F308-F367 HydrophobicContact CE1-CD2 4.15Å; F308-F367 HydrophobicContact CE1-CE2 4.29Å; F308-F367 HydrophobicContact CE1-CG 4.32Å; F308-F367 HydrophobicContact CE2-CE2 4.3Å; F308-F367 HydrophobicContact CE2-CZ 4.12Å; F308-F367 HydrophobicContact CZ-CD1 4.06Å; F308-F367 AromaticContact CZ-CD2 3.79Å; F308-F367 HydrophobicContact CZ-CD2 3.79Å; F308-F367 AromaticContact CZ-CE1 3.8Å; F308-F367 HydrophobicContact CZ-CE1 3.8Å; F308-F367 AromaticContact CZ-CE2 3.51Å; F308-F367 HydrophobicContact CZ-CE2 3.51Å; F308-F367 HydrophobicContact CZ-CG 4.07Å; F308-F367 AromaticContact CZ-CZ 3.52Å; F308-F367 HydrophobicContact CZ-CZ 3.52Å; F308-Y402 HydrophobicContact CD2-CE1 4.27Å; F308-Y402 HydrophobicContact CE1-CD2 4.49Å; F308-Y402 AromaticContact CE1-CE2 3.79Å; F308-Y402 HydrophobicContact CE1-CE2 3.79Å; F308-Y402 AromaticContact CE2-CE1 3.98Å; F308-Y402 HydrophobicContact CE2-CE1 3.98Å; F308-Y402 AromaticContact CE2-CE2 3.92Å; F308-Y402 HydrophobicContact CE2-CE2 3.92Å; F308-Y402 AromaticContact CE2-CZ 3.32Å; F308-Y402 WeakPolarHBondContact CE2-OH 3.43Å; F308-Y402 HydrophobicContact CZ-CD2 4.48Å; F308-Y402 HydrophobicContact CZ-CE1 4.34Å; F308-Y402 AromaticContact CZ-CE2 3.42Å; F308-Y402 HydrophobicContact CZ-CE2 3.42Å; F308-Y402 VanDerWaalsContact CZ-CE2 3.42Å; F308-Y402 AromaticContact CZ-CZ 3.34Å; F308-Y402 WeakPolarHBondContact CZ-OH 3.38Å; F308-M445 HydrophobicContact CB-CE 3.28Å; F308-M445 HydrophobicContact CD1-CB 4.29Å; F308-M445 HydrophobicContact CD1-CE 3.54Å; F308-M445 HydrophobicContact CD1-CG 3.77Å; F308-M445 HydrophobicContact CD1-SD 4.29Å; F308-M445 HydrophobicContact CD2-CE 4.19Å; F308-M445 HydrophobicContact CE1-CE 4.36Å; F308-M445 HydrophobicContact CE1-CG 4.35Å; F308-M445 HydrophobicContact CG-CE 3.41Å; F308-M445 VanDerWaalsContact CG-CE 3.41Å; F308-I446 WeakPolarHBondContact CA-O 3.37Å; F308-H447 HydrophobicContact CD1-CB 3.9Å; F308-H447 AromaticContact CD2-CD2 3.9Å; F308-H447 HydrophobicContact CE1-CB 3.47Å; F308-H447 VanDerWaalsContact CE1-CB 3.47Å; F308-H447 HydrophobicContact CE2-CB 4.21Å; F308-H447 AromaticContact CE2-CD2 3.44Å; F308-H447 VanDerWaalsContact CE2-CD2 3.44Å; F308-H447 WeakPolarHBondContact CE2-CD2 3.05Å; F308-H447 HydrophobicContact CG-CB 4.47Å; F308-H447 HydrophobicContact CZ-CB 3.64Å; F308-H447 AromaticContact CZ-CD2 3.69Å; F308-H447 AromaticContact CZ-CG 3.96Å
309L97.9Very high97.8Very high13 Ų1325.8 Ų25.87%0.06813%0.13CC..EExtended strand (participates in β ladder)trans-100.2119169.5-64.1-178000109.3M229 A232 I233 F348 M445 I446 M448M229-L309 HydrophobicContact CE-CD1 4.47Å; M229-L309 HydrophobicContact CE-CD2 3.69Å; M229-L309 HydrophobicContact CE-CG 3.85Å; A232-L309 HydrophobicContact CB-CD1 4.33Å; A232-L309 HydrophobicContact CB-CD2 3.6Å; I233-L309 HydrophobicContact CG1-CD2 3.95Å; L309-F348 HydrophobicContact CB-CD2 4.36Å; L309-F348 HydrophobicContact CB-CE2 3.57Å; L309-F348 HydrophobicContact CB-CZ 4.21Å; L309-F348 HydrophobicContact CD1-CD2 4.35Å; L309-F348 HydrophobicContact CD1-CE2 4.36Å; L309-M445 WeakPolarHBondContact O-CA 3.33Å; L309-I446 PolarHBondContact N-O 2.8Å; L309-I446 PolarHBondContact O-N 3.26Å; L309-M448 HydrophobicContact CD1-CG 3.81Å; L309-M448 HydrophobicContact CD1-SD 4Å; L309-M448 HydrophobicContact CG-CG 3.9Å
310P98.1Very high97.9Very high1 Ų128.1 Ų28.11%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-69.7156.4174.727-29.7000110.7H236 W237 L314 F348H236-P310 HydrophobicContact CB-CG 3.89Å; H236-P310 PolarHBondContact ND1-O 3.44Å; W237-P310 HydrophobicContact CB-CG 4.29Å; W237-P310 HydrophobicContact CE3-CG 4.31Å; P310-L314 HydrophobicContact CB-CB 4.1Å; P310-L314 HydrophobicContact CB-CD2 3.41Å; P310-L314 VanDerWaalsContact CB-CD2 3.41Å; P310-L314 HydrophobicContact CB-CG 4.38Å; P310-F348 WeakPolarHBondContact O-CZ 3.18Å
311M97.7Very high97.8Very high20 Ų2027.8 Ų27.810%0.09914%0.135CC..PPolyproline II helixtrans-60.4147.6169.872.8173.9-15300111.6G313 L314 Y317 N442 Y444M311-G313 PolarHBondContact O-N 2.85Å; M311-L314 HydrophobicContact CE-CD1 4.23Å; M311-L314 HydrophobicContact CG-CB 3.85Å; M311-L314 HydrophobicContact CG-CD1 4.28Å; M311-L314 VanDerWaalsContact O-CB 3.26Å; M311-L314 WeakPolarHBondContact O-CB 3.37Å; M311-L314 PolarHBondContact O-N 2.87Å; M311-Y317 HydrophobicContact CE-CD1 4.38Å; M311-Y317 HydrophobicContact CE-CG 4.28Å; M311-N442 WeakPolarHBondContact CE-O 3.45Å; M311-Y444 HydrophobicContact CB-CD1 4.1Å; M311-Y444 HydrophobicContact CB-CD2 3.82Å; M311-Y444 HydrophobicContact CB-CE1 3.78Å; M311-Y444 HydrophobicContact CB-CE2 3.49Å; M311-Y444 VanDerWaalsContact CB-CE2 3.49Å; M311-Y444 HydrophobicContact CB-CG 4.12Å; M311-Y444 VanDerWaalsContact CB-CZ 3.47Å; M311-Y444 WeakPolarHBondContact CB-O 3.45Å; M311-Y444 HydrophobicContact CG-CD1 4.41Å; M311-Y444 HydrophobicContact CG-CE1 4.32Å; M311-Y444 PolarHBondContact N-O 3.45Å; M311-Y444 HydrophobicContact SD-CD1 3.64Å; M311-Y444 HydrophobicContact SD-CE1 3.58Å; M311-Y444 VanDerWaalsContact SD-CE1 3.58Å; M311-Y444 HydrophobicContact SD-CG 4.35Å
312Y97.4Very high97.8Very high119 Ų11928.1 Ų28.147%0.46714%0.138SC..THydrogen-bonded Turntrans-57133.4172.1-69.7-79.1000110.3K235 H236 L314 F348K235-Y312 WeakPolarHBondContact O-CE1 3.28Å; H236-Y312 AromaticContact CD2-CZ 3.82Å; H236-Y312 AromaticContact CE1-CE2 3.48Å; H236-Y312 VanDerWaalsContact CE1-CE2 3.48Å; H236-Y312 WeakPolarHBondContact CE1-CE2 3.28Å; H236-Y312 AromaticContact CE1-CZ 3.51Å; H236-Y312 AromaticContact ND1-CE2 3.95Å; H236-Y312 AromaticContact ND1-CZ 3.92Å; H236-Y312 AromaticContact NE2-CE2 3.87Å; H236-Y312 AromaticContact NE2-CZ 3.44Å; H236-Y312 PolarHBondContact NE2-OH 2.86Å; Y312-L314 VanDerWaalsContact C-N 3.33Å; Y312-F348 HydrophobicContact CD2-CD1 4.15Å; Y312-F348 AromaticContact CE2-CD1 3.97Å; Y312-F348 HydrophobicContact CE2-CD1 3.97Å; Y312-F348 HydrophobicContact CE2-CG 4.47Å
313G97.8Very high97.6Very high46 Ų4633.3 Ų33.347%0.47417%0.169SC..THydrogen-bonded Turntrans797.7-177.300000115.2M311 Y315 E316 Y317M311-G313 PolarHBondContact O-N 2.85Å; G313-Y315 VanDerWaalsContact C-N 3.3Å; G313-Y315 PolarHBondContact O-N 3.3Å; G313-E316 PolarHBondContact O-N 3.31Å; G313-Y317 WeakPolarHBondContact O-CB 3.46Å; G313-Y317 PolarHBondContact O-N 3.05Å
314L98.5Very high97.5Very high0 Ų039.7 Ų39.70%020%0.199CC..Hα-helixtrans-58.8-40.6177.7-176.161.5000112.5W237 F302 P310 M311 Y312 E316 Y317 L318 V336 A443W237-L314 HydrophobicContact CZ3-CB 4.29Å; W237-L314 HydrophobicContact CZ3-CD2 4.21Å; W237-L314 HydrophobicContact CZ3-CG 4.09Å; F302-L314 HydrophobicContact CE1-CD2 4.04Å; F302-L314 HydrophobicContact CZ-CD2 4.28Å; P310-L314 HydrophobicContact CB-CB 4.1Å; P310-L314 HydrophobicContact CB-CD2 3.41Å; P310-L314 VanDerWaalsContact CB-CD2 3.41Å; P310-L314 HydrophobicContact CB-CG 4.38Å; M311-L314 HydrophobicContact CE-CD1 4.23Å; M311-L314 HydrophobicContact CG-CB 3.85Å; M311-L314 HydrophobicContact CG-CD1 4.28Å; M311-L314 VanDerWaalsContact O-CB 3.26Å; M311-L314 WeakPolarHBondContact O-CB 3.37Å; M311-L314 PolarHBondContact O-N 2.87Å; Y312-L314 VanDerWaalsContact C-N 3.33Å; L314-E316 PolarHBondContact O-N 3.13Å; L314-Y317 HydrophobicContact CD1-CD1 4.21Å; L314-Y317 WeakPolarHBondContact O-CB 3.34Å; L314-Y317 PolarHBondContact O-N 3.17Å; L314-L318 HydrophobicContact CD1-CD1 4.31Å; L314-L318 HydrophobicContact CD1-CD2 4.43Å; L314-L318 HydrophobicContact CD1-CG 4.04Å; L314-L318 HydrophobicContact CD2-CD1 4.43Å; L314-L318 HydrophobicContact CG-CD1 3.98Å; L314-L318 HydrophobicContact CG-CG 4.15Å; L314-L318 WeakPolarHBondContact O-CG 2.98Å; L314-L318 PolarHBondContact O-N 3.27Å; L314-V336 HydrophobicContact CD2-CG1 4.3Å; L314-A443 HydrophobicContact CD1-CB 3.55Å
315Y98.4Very high97.5Very high20 Ų2041.1 Ų41.18%0.07821%0.206CC..Hα-helixtrans-54.3-54.3177.6168.8-111.9000111.8Y207 D215 V216 W237 G239 G313 Y317 L318 R319Y207-Y315 PolarHBondContact OH-OH 2.93Å; D215-Y315 PolarHBondContact OD1-OH 3.39Å; V216-Y315 HydrophobicContact CB-CD2 4.44Å; V216-Y315 VanDerWaalsContact O-CE2 3.31Å; V216-Y315 WeakPolarHBondContact O-CE2 3.22Å; W237-Y315 AromaticContact CE2-CD2 3.95Å; W237-Y315 HydrophobicContact CH2-CD2 4.06Å; W237-Y315 AromaticContact CZ2-CD2 3.6Å; W237-Y315 HydrophobicContact CZ2-CD2 3.6Å; W237-Y315 HydrophobicContact CZ2-CG 4.31Å; G239-Y315 VanDerWaalsContact CA-CE2 3.48Å; G313-Y315 VanDerWaalsContact C-N 3.3Å; G313-Y315 PolarHBondContact O-N 3.3Å; Y315-Y317 VanDerWaalsContact C-N 3.3Å; Y315-Y317 PolarHBondContact O-N 3.46Å; Y315-L318 PolarHBondContact O-N 2.83Å; Y315-R319 HydrophobicContact CD2-CG 4.44Å; Y315-R319 HydrophobicContact CE2-CG 4.13Å; Y315-R319 VanDerWaalsContact CZ-CD 3.45Å; Y315-R319 WeakPolarHBondContact O-CG 3.28Å; Y315-R319 PolarHBondContact O-N 2.95Å
316E97.9Very high97.5Very high81 Ų8143 Ų4338%0.37922%0.216SC..Hα-helixtrans-63.5-35.6177.9-75.7-60.7130.100112.7G313 L314 R319 K320G313-E316 PolarHBondContact O-N 3.31Å; L314-E316 PolarHBondContact O-N 3.13Å; E316-R319 IonicContact OE1-NH1 3.03Å; E316-R319 PolarHBondContact OE1-NH1 3.14Å; E316-R319 IonicContact OE2-NH1 2.97Å; E316-K320 WeakPolarHBondContact O-CG 3.48Å; E316-K320 PolarHBondContact O-N 3.18Å; E316-K320 VanDerWaalsContact O-N 3.09Å
317Y98.4Very high97.5Very high45 Ų4542.8 Ų42.818%0.17622%0.215CC..Hα-helixtrans-65.4-40.3175.1-179.9-105.8000112.3M311 G313 L314 Y315 K320 S321 L440 P441 N442 A443M311-Y317 HydrophobicContact CE-CD1 4.38Å; M311-Y317 HydrophobicContact CE-CG 4.28Å; G313-Y317 WeakPolarHBondContact O-CB 3.46Å; G313-Y317 PolarHBondContact O-N 3.05Å; L314-Y317 HydrophobicContact CD1-CD1 4.21Å; L314-Y317 WeakPolarHBondContact O-CB 3.34Å; L314-Y317 PolarHBondContact O-N 3.17Å; Y315-Y317 VanDerWaalsContact C-N 3.3Å; Y315-Y317 PolarHBondContact O-N 3.46Å; Y317-K320 PolarHBondContact O-N 3.01Å; Y317-S321 WeakPolarHBondContact O-CB 3.35Å; Y317-S321 PolarHBondContact O-N 3.12Å; Y317-S321 PolarHBondContact O-OG 3.4Å; Y317-L440 HydrophobicContact CD1-CD1 4.47Å; Y317-L440 HydrophobicContact CE1-CB 3.95Å; Y317-L440 HydrophobicContact CE1-CD1 3.92Å; Y317-L440 HydrophobicContact CE1-CD2 4.4Å; Y317-L440 HydrophobicContact CE1-CG 4.32Å; Y317-P441 WeakPolarHBondContact OH-CD 3.11Å; Y317-N442 HydrophobicContact CE2-CB 4.18Å; Y317-A443 HydrophobicContact CD1-CB 3.93Å; Y317-A443 HydrophobicContact CE1-CB 3.69Å
318L98.5Very high97.4Very high0 Ų044.1 Ų44.10%023%0.229CC..Hα-helixtrans-68.7-42.2176.7-70.3177.8000111.8V216 W237 F302 L314 Y315 K320 S321 V322 V336 M404 L440V216-L318 HydrophobicContact CG1-CD1 4.4Å; V216-L318 HydrophobicContact CG2-CB 4Å; W237-L318 HydrophobicContact CH2-CD1 3.81Å; W237-L318 HydrophobicContact CZ3-CD1 3.98Å; F302-L318 HydrophobicContact CB-CD1 4.23Å; F302-L318 HydrophobicContact CD2-CD1 4.36Å; F302-L318 HydrophobicContact CG-CD1 4.16Å; L314-L318 HydrophobicContact CD1-CD1 4.31Å; L314-L318 HydrophobicContact CD1-CD2 4.43Å; L314-L318 HydrophobicContact CD1-CG 4.04Å; L314-L318 HydrophobicContact CD2-CD1 4.43Å; L314-L318 HydrophobicContact CG-CD1 3.98Å; L314-L318 HydrophobicContact CG-CG 4.15Å; L314-L318 WeakPolarHBondContact O-CG 2.98Å; L314-L318 PolarHBondContact O-N 3.27Å; Y315-L318 PolarHBondContact O-N 2.83Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.14Å; L318-S321 CarbonylContact O-C 3.55Å; L318-S321 WeakPolarHBondContact O-CA 3.43Å; L318-S321 WeakPolarHBondContact O-CB 3.36Å; L318-S321 PolarHBondContact O-N 2.99Å; L318-V322 PolarHBondContact O-N 3.42Å; L318-V336 HydrophobicContact CD2-CG2 4.33Å; L318-M404 HydrophobicContact CB-SD 3.87Å; L318-M404 HydrophobicContact CD1-SD 4.39Å; L318-M404 HydrophobicContact CD2-CB 4.32Å; L318-M404 HydrophobicContact CD2-SD 4Å; L318-M404 HydrophobicContact CG-SD 4.3Å; L318-L440 HydrophobicContact CD2-CD1 3.42Å; L318-L440 VanDerWaalsContact CD2-CD1 3.42Å
319R97.9Very high97.2Very high40 Ų4050.4 Ų50.415%0.15126%0.262CS..Hα-helixtrans-55.4-45.6172.5-70.9-17564.6-162.27.6112.4S210 D212 S214 D215 V216 Y315 E316 S321 V322S210-R319 PolarHBondContact OG-NH2 3.37Å; D212-R319 IonicContact OD1-NH2 2.87Å; D212-R319 PolarHBondContact OD1-NH2 3.32Å; D212-R319 IonicContact OD2-NH2 3.41Å; D212-R319 PolarHBondContact OD2-NH2 2.97Å; S214-R319 WeakPolarHBondContact O-CG 3.14Å; S214-R319 PolarHBondContact OG-NE 3.13Å; S214-R319 VanDerWaalsContact OG-NE 3.08Å; S214-R319 PolarHBondContact OG-NH2 3.08Å; D215-R319 IonicContact OD1-CZ 2.66Å; D215-R319 IonicContact OD1-NE 3.02Å; D215-R319 PolarHBondContact OD1-NE 3.35Å; D215-R319 VanDerWaalsContact OD1-NE 3.16Å; D215-R319 IonicContact OD1-NH2 3.95Å; D215-R319 PolarHBondContact OD1-NH2 3.06Å; V216-R319 HydrophobicContact CG2-CG 4.4Å; Y315-R319 HydrophobicContact CD2-CG 4.44Å; Y315-R319 HydrophobicContact CE2-CG 4.13Å; Y315-R319 VanDerWaalsContact CZ-CD 3.45Å; Y315-R319 WeakPolarHBondContact O-CG 3.28Å; Y315-R319 PolarHBondContact O-N 2.95Å; E316-R319 IonicContact OE1-NH1 3.03Å; E316-R319 PolarHBondContact OE1-NH1 3.14Å; E316-R319 IonicContact OE2-NH1 2.97Å; R319-S321 VanDerWaalsContact C-N 3.32Å; R319-S321 PolarHBondContact O-N 3.2Å; R319-V322 WeakPolarHBondContact O-CB 3.17Å; R319-V322 PolarHBondContact O-N 3.44Å
320K97.7Very high97.1Very high122 Ų12251.6 Ų51.653%0.5327%0.27SS..Hα-helixtrans-64-38.7175-70.4173.4-173.8177.80112.1E316 Y317 L318 V322 V323 Q324E316-K320 WeakPolarHBondContact O-CG 3.48Å; E316-K320 PolarHBondContact O-N 3.18Å; E316-K320 VanDerWaalsContact O-N 3.09Å; Y317-K320 PolarHBondContact O-N 3.01Å; L318-K320 VanDerWaalsContact C-N 3.32Å; L318-K320 PolarHBondContact O-N 3.14Å; K320-V322 VanDerWaalsContact C-N 3.29Å; K320-V322 PolarHBondContact O-N 3.36Å; K320-V323 PolarHBondContact O-N 2.9Å; K320-Q324 WeakPolarHBondContact O-CB 3.15Å; K320-Q324 VanDerWaalsContact O-CG 3.29Å; K320-Q324 WeakPolarHBondContact O-CG 3.42Å; K320-Q324 PolarHBondContact O-N 3.33Å
321S98.1Very high96.9Very high2 Ų256.6 Ų56.61%0.01429%0.292CS..Hα-helixtrans-65.7-31.4178.7-58.80000112.4Y317 L318 R319 V323 Q324 L325Y317-S321 WeakPolarHBondContact O-CB 3.35Å; Y317-S321 PolarHBondContact O-N 3.12Å; Y317-S321 PolarHBondContact O-OG 3.4Å; L318-S321 CarbonylContact O-C 3.55Å; L318-S321 WeakPolarHBondContact O-CA 3.43Å; L318-S321 WeakPolarHBondContact O-CB 3.36Å; L318-S321 PolarHBondContact O-N 2.99Å; R319-S321 VanDerWaalsContact C-N 3.32Å; R319-S321 PolarHBondContact O-N 3.2Å; S321-V323 VanDerWaalsContact C-N 3.34Å; S321-V323 PolarHBondContact O-N 3.11Å; S321-Q324 PolarHBondContact O-N 3.22Å; S321-L325 VanDerWaalsContact O-CB 3.3Å; S321-L325 WeakPolarHBondContact O-CB 3.48Å; S321-L325 PolarHBondContact O-N 2.99Å
322V97.4Very high97Very high9 Ų956.9 Ų56.96%0.05529%0.293CS..Hα-helixtrans-54.4-49.8174.3162.70000111.4V216 Y300 L318 R319 K320 D326 M327 M404V216-V322 HydrophobicContact CG2-CG2 4.46Å; Y300-V322 HydrophobicContact CD1-CG2 4.22Å; Y300-V322 HydrophobicContact CD2-CG1 4Å; Y300-V322 HydrophobicContact CD2-CG2 3.68Å; Y300-V322 HydrophobicContact CE1-CG1 4.3Å; Y300-V322 HydrophobicContact CE1-CG2 4.36Å; Y300-V322 HydrophobicContact CE2-CB 4.25Å; Y300-V322 HydrophobicContact CE2-CG1 3.31Å; Y300-V322 HydrophobicContact CE2-CG2 3.87Å; Y300-V322 HydrophobicContact CG-CG2 3.88Å; Y300-V322 VanDerWaalsContact CZ-CG1 3.48Å; L318-V322 PolarHBondContact O-N 3.42Å; R319-V322 WeakPolarHBondContact O-CB 3.17Å; R319-V322 PolarHBondContact O-N 3.44Å; K320-V322 VanDerWaalsContact C-N 3.29Å; K320-V322 PolarHBondContact O-N 3.36Å; V322-D326 PolarHBondContact O-N 2.9Å; V322-M327 HydrophobicContact CB-CB 4.48Å; V322-M327 HydrophobicContact CB-CG 4.45Å; V322-M327 HydrophobicContact CG1-CB 4.24Å; V322-M327 HydrophobicContact CG2-CG 4.4Å; V322-M327 PolarHBondContact O-N 3.19Å; V322-M404 HydrophobicContact CG2-CE 3.69Å; V322-M404 HydrophobicContact CG2-SD 4.15Å
323V95.4Very high97Very high109 Ų10951.2 Ų51.266%0.66127%0.27SS*.Hα-helixtrans-73.6-47.4-179.2-177.50000110.8K320 S321 L325 D326K320-V323 PolarHBondContact O-N 2.9Å; S321-V323 VanDerWaalsContact C-N 3.34Å; S321-V323 PolarHBondContact O-N 3.11Å; V323-L325 VanDerWaalsContact C-N 3.27Å; V323-L325 PolarHBondContact O-N 3.29Å; V323-D326 PolarHBondContact O-N 3Å
324Q96.7Very high97.1Very high143 Ų14349 Ų4967%0.66825%0.248SC*.Hα-helixtrans-63.3-30.7-175.7-72.7176-1.300113.7K320 S321K320-Q324 WeakPolarHBondContact O-CB 3.15Å; K320-Q324 VanDerWaalsContact O-CG 3.29Å; K320-Q324 WeakPolarHBondContact O-CG 3.42Å; K320-Q324 PolarHBondContact O-N 3.33Å; S321-Q324 PolarHBondContact O-N 3.22Å
325L97.2Very high97.1Very high35 Ų3549.1 Ų49.118%0.18325%0.248CC..THydrogen-bonded Turntrans-104.99.9-177.4-60.5172.7000112.9S321 V323 M327 K332 L334 P390 V438 L440S321-L325 VanDerWaalsContact O-CB 3.3Å; S321-L325 WeakPolarHBondContact O-CB 3.48Å; S321-L325 PolarHBondContact O-N 2.99Å; V323-L325 VanDerWaalsContact C-N 3.27Å; V323-L325 PolarHBondContact O-N 3.29Å; L325-M327 VanDerWaalsContact C-N 3.32Å; L325-M327 PolarHBondContact O-N 2.74Å; L325-K332 HydrophobicContact CB-CD 4.49Å; L325-K332 PolarHBondContact O-NZ 3.32Å; L325-L334 HydrophobicContact CD1-CD1 4.03Å; L325-L334 HydrophobicContact CD1-CD2 3.62Å; L325-P390 HydrophobicContact CD1-CB 4.44Å; L325-P390 HydrophobicContact CD1-CG 4.35Å; L325-P390 HydrophobicContact CD2-CB 4.24Å; L325-P390 HydrophobicContact CD2-CG 4.16Å; L325-V438 HydrophobicContact CD1-CG1 4.38Å; L325-L440 HydrophobicContact CD1-CD2 3.94Å
326D96.1Very high97.1Very high71 Ų7148.2 Ų48.238%0.3825%0.245SC..THydrogen-bonded Turntrans51.249.3178.5-173.427.8000112.6V322 V323 A328 N329 T330V322-D326 PolarHBondContact O-N 2.9Å; V323-D326 PolarHBondContact O-N 3Å; D326-A328 PolarHBondContact O-N 3.12Å; D326-N329 PolarHBondContact O-N 3.25Å; D326-N329 PolarHBondContact OD1-ND2 3.43Å; D326-T330 PolarHBondContact O-N 3.44Å; D326-T330 PolarHBondContact O-OG1 3Å
327M96.4Very high97.1Very high0 Ų044.4 Ų44.40%023%0.227CC..THydrogen-bonded Turntrans-65.4-19.5-178.3-68.2-68.9-6000112.7Y300 V322 L325 K332 L334 M404 K406Y300-M327 HydrophobicContact CD1-CB 4.39Å; Y300-M327 HydrophobicContact CE1-CB 3.55Å; V322-M327 HydrophobicContact CB-CB 4.48Å; V322-M327 HydrophobicContact CB-CG 4.45Å; V322-M327 HydrophobicContact CG1-CB 4.24Å; V322-M327 HydrophobicContact CG2-CG 4.4Å; V322-M327 PolarHBondContact O-N 3.19Å; L325-M327 VanDerWaalsContact C-N 3.32Å; L325-M327 PolarHBondContact O-N 2.74Å; M327-K332 HydrophobicContact CE-CB 4.02Å; M327-K332 VanDerWaalsContact CE-O 3.24Å; M327-K332 WeakPolarHBondContact CE-O 3.36Å; M327-K332 HydrophobicContact SD-CB 3.53Å; M327-K332 VanDerWaalsContact SD-CB 3.53Å; M327-K332 HydrophobicContact SD-CD 4.17Å; M327-K332 HydrophobicContact SD-CG 4.38Å; M327-L334 HydrophobicContact CE-CD1 4.44Å; M327-L334 HydrophobicContact CE-CD2 4.46Å; M327-L334 HydrophobicContact CE-CG 4.01Å; M327-L334 HydrophobicContact CG-CD1 4.25Å; M327-L334 HydrophobicContact SD-CD1 3.84Å; M327-L334 HydrophobicContact SD-CD2 3.57Å; M327-L334 VanDerWaalsContact SD-CD2 3.57Å; M327-L334 HydrophobicContact SD-CG 3.61Å; M327-M404 HydrophobicContact CE-CE 3.61Å; M327-M404 HydrophobicContact CG-CE 4.06Å; M327-M404 HydrophobicContact SD-CE 4.22Å; M327-K406 WeakPolarHBondContact O-CD 3.26Å
328A94.1Very high97.1Very high49 Ų4942.3 Ų42.341%0.40522%0.219SC..THydrogen-bonded Turntrans-65.5-44.5178.300000111.5Y300 D326 K406Y300-A328 WeakPolarHBondContact OH-CA 3.37Å; Y300-A328 PolarHBondContact OH-N 3.3Å; D326-A328 PolarHBondContact O-N 3.12Å; A328-K406 PolarHBondContact O-NZ 2.93Å
329N94.1Very high97.1Very high133 Ų13342.4 Ų42.471%0.71122%0.219SC*.THydrogen-bonded Turntrans-102.5-0.3-171.3-57.1-60.3000114.1D326D326-N329 PolarHBondContact O-N 3.25Å; D326-N329 PolarHBondContact OD1-ND2 3.43Å
330T94.7Very high97.1Very high39 Ų3940.7 Ų40.724%0.23921%0.213CC..SBendtrans-129.4148.2-176.462.10000112.5D326 K332D326-T330 PolarHBondContact O-N 3.44Å; D326-T330 PolarHBondContact O-OG1 3Å; T330-K332 PolarHBondContact O-N 3.34Å; T330-K332 PolarHBondContact OG1-NZ 3.24Å
331K95.4Very high97Very high105 Ų10535 Ų3546%0.45719%0.189SC..  trans-85.993.5172.1-70.7-171.1179.3-176.80109.5Q433 Y435 E436K331-Q433 WeakPolarHBondContact CD-O 3.43Å; K331-Q433 PolarHBondContact NZ-O 3.46Å; K331-Y435 HydrophobicContact CB-CD1 4.24Å; K331-Y435 HydrophobicContact CB-CD2 4.23Å; K331-Y435 HydrophobicContact CB-CE1 4.37Å; K331-Y435 HydrophobicContact CB-CE2 4.38Å; K331-Y435 HydrophobicContact CB-CG 4.17Å; K331-Y435 HydrophobicContact CD-CD2 4.23Å; K331-Y435 HydrophobicContact CD-CE2 4.02Å; K331-Y435 HydrophobicContact CG-CE2 4.37Å; K331-Y435 WeakPolarHBondContact O-CA 3.37Å; K331-E436 PolarHBondContact O-N 3.4Å
332K98.1Very high96.6Very high27 Ų2740.2 Ų40.212%0.11722%0.216CC..EExtended strand (participates in β ladder)trans-125.1142.7178.2-66.5-174.617799.50110.4L325 M327 T330 L334 E436 V438L325-K332 HydrophobicContact CB-CD 4.49Å; L325-K332 PolarHBondContact O-NZ 3.32Å; M327-K332 HydrophobicContact CE-CB 4.02Å; M327-K332 VanDerWaalsContact CE-O 3.24Å; M327-K332 WeakPolarHBondContact CE-O 3.36Å; M327-K332 HydrophobicContact SD-CB 3.53Å; M327-K332 VanDerWaalsContact SD-CB 3.53Å; M327-K332 HydrophobicContact SD-CD 4.17Å; M327-K332 HydrophobicContact SD-CG 4.38Å; T330-K332 PolarHBondContact O-N 3.34Å; T330-K332 PolarHBondContact OG1-NZ 3.24Å; K332-L334 HydrophobicContact CB-CD2 4.29Å; K332-E436 CarbonylContact C-O 3.56Å; K332-E436 WeakPolarHBondContact CA-O 3.35Å; K332-E436 WeakPolarHBondContact CE-OE2 3.49Å; K332-E436 HydrophobicContact CG-CB 4.25Å; K332-V438 HydrophobicContact CD-CG2 4.14Å; K332-V438 HydrophobicContact CG-CG2 4.46Å
333A98.5Very high96.3Very high0 Ų046.6 Ų46.60%024%0.239CC..EExtended strand (participates in β ladder)trans-111.5108.9166.700000107.6V335 V403 V405 L430 Y435 E436 F437 V438A333-V335 PolarHBondContact O-N 3.31Å; A333-V403 HydrophobicContact CB-CB 4.26Å; A333-V403 HydrophobicContact CB-CG1 4.17Å; A333-V405 HydrophobicContact CB-CG1 3.91Å; A333-L430 HydrophobicContact CB-CD1 4.42Å; A333-Y435 HydrophobicContact CB-CD1 4.31Å; A333-E436 PolarHBondContact N-O 3.49Å; A333-F437 HydrophobicContact CB-CD1 3.86Å; A333-F437 HydrophobicContact CB-CE1 4.01Å; A333-V438 PolarHBondContact O-N 3.24Å
334L98.8Very high95.8Very high0 Ų050.3 Ų50.30%024%0.242CC..EExtended strand (participates in β ladder)trans-81.9112-178.9-52.8-172.3000109.3L325 M327 K332 V403 M404 V438 L440L325-L334 HydrophobicContact CD1-CD1 4.03Å; L325-L334 HydrophobicContact CD1-CD2 3.62Å; M327-L334 HydrophobicContact CE-CD1 4.44Å; M327-L334 HydrophobicContact CE-CD2 4.46Å; M327-L334 HydrophobicContact CE-CG 4.01Å; M327-L334 HydrophobicContact CG-CD1 4.25Å; M327-L334 HydrophobicContact SD-CD1 3.84Å; M327-L334 HydrophobicContact SD-CD2 3.57Å; M327-L334 VanDerWaalsContact SD-CD2 3.57Å; M327-L334 HydrophobicContact SD-CG 3.61Å; K332-L334 HydrophobicContact CB-CD2 4.29Å; L334-V403 CarbonylContact O-C 3.59Å; L334-V403 VanDerWaalsContact O-CA 3.24Å; L334-V403 WeakPolarHBondContact O-CA 3.37Å; L334-M404 HydrophobicContact CB-CB 4.22Å; L334-M404 HydrophobicContact CD1-CE 3.35Å; L334-M404 HydrophobicContact CD1-SD 4.2Å; L334-M404 HydrophobicContact CG-CE 3.87Å; L334-M404 PolarHBondContact N-O 3.39Å; L334-M404 PolarHBondContact O-N 3.1Å; L334-V438 CarbonylContact C-O 3.5Å; L334-V438 WeakPolarHBondContact CA-O 3.49Å; L334-V438 HydrophobicContact CD2-CB 3.93Å; L334-V438 HydrophobicContact CD2-CG1 4.4Å; L334-L440 HydrophobicContact CB-CD1 4Å; L334-L440 HydrophobicContact CB-CD2 4.49Å; L334-L440 HydrophobicContact CB-CG 4.2Å; L334-L440 HydrophobicContact CD1-CD1 4.37Å; L334-L440 HydrophobicContact CD1-CD2 4.32Å
335V98.8Very high95.3Very high1 Ų154.7 Ų54.71%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-80.9125.5-177.8175.70000109.8A333 P337 T379 P401 Y402 V403 F437 V438 V439 L440A333-V335 PolarHBondContact O-N 3.31Å; V335-P337 WeakPolarHBondContact O-CD 3.39Å; V335-T379 HydrophobicContact CG1-CG2 4.36Å; V335-P401 HydrophobicContact CB-CB 4.46Å; V335-P401 HydrophobicContact CG1-CB 3.74Å; V335-P401 HydrophobicContact CG2-CB 4.01Å; V335-P401 HydrophobicContact CG2-CG 4.27Å; V335-Y402 WeakPolarHBondContact CA-O 3.43Å; V335-V403 HydrophobicContact CG2-CG1 3.92Å; V335-F437 HydrophobicContact CG2-CB 4.29Å; V335-F437 HydrophobicContact CG2-CD1 4.35Å; V335-V438 PolarHBondContact N-O 3.07Å; V335-V439 HydrophobicContact CB-CB 4.48Å; V335-V439 HydrophobicContact CB-CG2 4.04Å; V335-V439 HydrophobicContact CG1-CG2 4.17Å; V335-L440 PolarHBondContact O-N 3.33Å
336V98.8Very high94.9Very high1 Ų154.8 Ų54.81%0.00625%0.253CS..EExtended strand (participates in β ladder)trans-99.4112.6169.4177.40000108.4F302 L314 L318 A338 Y402 L440 A443 M445F302-V336 HydrophobicContact CD2-CG2 4.29Å; F302-V336 HydrophobicContact CE2-CB 3.85Å; F302-V336 HydrophobicContact CE2-CG2 3.57Å; F302-V336 HydrophobicContact CZ-CB 4.07Å; F302-V336 HydrophobicContact CZ-CG1 4.24Å; F302-V336 HydrophobicContact CZ-CG2 4.05Å; L314-V336 HydrophobicContact CD2-CG1 4.3Å; L318-V336 HydrophobicContact CD2-CG2 4.33Å; V336-A338 PolarHBondContact O-N 3.13Å; V336-Y402 PolarHBondContact N-O 3.41Å; V336-L440 HydrophobicContact CG2-CD1 4.39Å; V336-A443 HydrophobicContact CG1-CB 4.1Å; V336-A443 HydrophobicContact CG2-CB 4.21Å; V336-M445 HydrophobicContact CB-SD 4.33Å; V336-M445 HydrophobicContact CG1-CB 4.33Å; V336-M445 HydrophobicContact CG1-CG 4.1Å; V336-M445 HydrophobicContact CG1-SD 3.94Å
337P98.4Very high94.8Very high1 Ų155.7 Ų55.71%0.00627%0.265CS..  trans-60.4135.8178.9-31.541.2000113.4V335 F339 T379 F381 W384 V439 A443 Y444 M445V335-P337 WeakPolarHBondContact O-CD 3.39Å; P337-F339 HydrophobicContact CB-CE2 4.02Å; P337-F339 HydrophobicContact CB-CZ 4.34Å; P337-T379 HydrophobicContact CB-CG2 4.1Å; P337-T379 HydrophobicContact CG-CG2 3.86Å; P337-F381 HydrophobicContact CB-CE1 4.04Å; P337-W384 HydrophobicContact CG-CD2 4.45Å; P337-W384 HydrophobicContact CG-CG 4.18Å; P337-V439 HydrophobicContact CG-CG1 3.64Å; P337-A443 WeakPolarHBondContact CD-O 3.1Å; P337-Y444 WeakPolarHBondContact O-CA 3.49Å; P337-M445 PolarHBondContact O-N 3.35Å; P337-M445 VanDerWaalsContact O-N 3.08Å
338A98.1Very high94.7Very high1 Ų156.9 Ų56.91%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-106.3136-177.300000111.8F308 V336 F367 F381 Y402 M445F308-A338 HydrophobicContact CE1-CB 3.83Å; V336-A338 PolarHBondContact O-N 3.13Å; A338-F367 HydrophobicContact CB-CB 3.74Å; A338-F367 HydrophobicContact CB-CD1 4.27Å; A338-F367 HydrophobicContact CB-CG 4.18Å; A338-F367 WeakPolarHBondContact O-CB 3.26Å; A338-F367 PolarHBondContact O-N 2.99Å; A338-F367 VanDerWaalsContact O-N 3.09Å; A338-F381 WeakPolarHBondContact O-CE1 3.41Å; A338-Y402 HydrophobicContact CB-CD2 3.7Å; A338-Y402 HydrophobicContact CB-CE2 3.79Å; A338-M445 HydrophobicContact CB-CG 4.13Å
339F98.2Very high94.9Very high2 Ų254.5 Ų54.51%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-123.1166.4175.2-59.4-84.3000109.8P337 L355 L359 F365 T366 F381 W384 M445 I446 H447P337-F339 HydrophobicContact CB-CE2 4.02Å; P337-F339 HydrophobicContact CB-CZ 4.34Å; F339-L355 HydrophobicContact CD1-CD2 4.39Å; F339-L355 HydrophobicContact CD2-CD1 3.77Å; F339-L355 HydrophobicContact CD2-CD2 4.29Å; F339-L355 HydrophobicContact CE1-CD2 4.09Å; F339-L355 HydrophobicContact CE2-CD1 4.06Å; F339-L355 HydrophobicContact CE2-CD2 3.98Å; F339-L355 HydrophobicContact CG-CD1 4.22Å; F339-L355 HydrophobicContact CG-CD2 4.48Å; F339-L355 HydrophobicContact CZ-CD2 3.87Å; F339-L359 HydrophobicContact CD1-CD1 4.15Å; F339-L359 HydrophobicContact CD1-CD2 3.84Å; F339-L359 HydrophobicContact CD1-CG 4.49Å; F339-L359 HydrophobicContact CE1-CD1 3.71Å; F339-L359 HydrophobicContact CE1-CD2 4.18Å; F339-L359 HydrophobicContact CZ-CD1 4.49Å; F339-F365 CarbonylContact C-O 3.56Å; F339-F365 WeakPolarHBondContact CA-O 3.43Å; F339-F365 WeakPolarHBondContact CB-O 3.44Å; F339-T366 HydrophobicContact CD1-CG2 4.37Å; F339-T366 HydrophobicContact CE1-CG2 4.17Å; F339-F381 AromaticContact CE1-CD1 3.86Å; F339-F381 HydrophobicContact CE1-CD1 3.86Å; F339-F381 AromaticContact CE1-CE1 3.99Å; F339-F381 HydrophobicContact CE1-CE1 3.99Å; F339-F381 AromaticContact CZ-CD1 3.95Å; F339-F381 HydrophobicContact CZ-CD1 3.95Å; F339-F381 HydrophobicContact CZ-CE1 4.02Å; F339-W384 HydrophobicContact CE1-CZ3 4.39Å; F339-W384 AromaticContact CE2-CH2 3.87Å; F339-W384 HydrophobicContact CE2-CH2 3.87Å; F339-W384 HydrophobicContact CE2-CZ2 4.37Å; F339-W384 AromaticContact CE2-CZ3 3.99Å; F339-W384 HydrophobicContact CE2-CZ3 3.99Å; F339-W384 HydrophobicContact CZ-CD2 4.44Å; F339-W384 AromaticContact CZ-CE3 3.78Å; F339-W384 HydrophobicContact CZ-CE3 3.78Å; F339-W384 AromaticContact CZ-CH2 3.82Å; F339-W384 HydrophobicContact CZ-CH2 3.82Å; F339-W384 HydrophobicContact CZ-CZ2 4.49Å; F339-W384 AromaticContact CZ-CZ3 3.43Å; F339-W384 HydrophobicContact CZ-CZ3 3.43Å; F339-W384 VanDerWaalsContact CZ-CZ3 3.43Å; F339-M445 PolarHBondContact N-O 2.62Å; F339-I446 HydrophobicContact CB-CG1 4.42Å; F339-I446 CarbonylContact O-C 3.5Å; F339-I446 WeakPolarHBondContact O-CA 3.38Å; F339-H447 WeakPolarHBondContact O-CB 3.36Å; F339-H447 PolarHBondContact O-N 3.42Å
340E97.3Very high94.9Very high5 Ų556.4 Ų56.42%0.02325%0.253CS..EExtended strand (participates in β ladder)trans-134.2151.2175.462.6-169.6-175.300111.8L364 F365 F367 R368 Y369 H370 H447E340-L364 WeakPolarHBondContact O-CA 3.47Å; E340-F365 HydrophobicContact CG-CB 3.98Å; E340-F365 PolarHBondContact N-O 3.41Å; E340-F365 PolarHBondContact O-N 2.81Å; E340-F367 HydrophobicContact CB-CD2 4.1Å; E340-F367 WeakPolarHBondContact OE2-CD2 3.32Å; E340-R368 PolarHBondContact OE1-N 3.41Å; E340-R368 PolarHBondContact OE2-N 2.83Å; E340-Y369 WeakPolarHBondContact OE1-CD1 3.49Å; E340-H370 IonicContact OE1-CE1 3.98Å; E340-H370 PolarHBondContact OE1-CE1 2.54Å; E340-H370 IonicContact OE1-ND1 3.31Å; E340-H370 PolarHBondContact OE1-ND1 2.88Å; E340-H447 HydrophobicContact CB-CB 4.05Å
341T95.6Very high95Very high3 Ų357.1 Ų57.12%0.01826%0.259CS..  trans-115.6149.6163.7-168.80000109.6R343 L346 T363 H447 M448 P449T341-R343 WeakPolarHBondContact CG2-O 3.48Å; T341-R343 PolarHBondContact OG1-N 2.81Å; T341-L346 HydrophobicContact CG2-CB 4.41Å; T341-L346 HydrophobicContact CG2-CD2 4.16Å; T341-T363 PolarHBondContact OG1-O 3.34Å; T341-H447 PolarHBondContact N-O 2.73Å; T341-M448 HydrophobicContact CG2-CE 4.4Å; T341-M448 HydrophobicContact CG2-SD 4.26Å; T341-P449 HydrophobicContact CG2-CG 4.21Å; T341-P449 WeakPolarHBondContact O-CG 3.48Å
342L91.6Very high95Very high110 Ų11053.5 Ų53.558%0.57624%0.244SC*.SBendtrans-94.5-0.7170-57.2179.4000111.8F365L342-F365 HydrophobicContact CD1-CE2 3.99Å; L342-F365 HydrophobicContact CG-CD2 4.37Å; L342-F365 HydrophobicContact CG-CE2 4.11Å
343R90.8Very high95Very high143 Ų14355.6 Ų55.654%0.5427%0.266SS..  trans-100.1130.3-175.5-59.1-178.8-178.8-174.6-0.1110.4T341 R345 P449T341-R343 WeakPolarHBondContact CG2-O 3.48Å; T341-R343 PolarHBondContact OG1-N 2.81Å; R343-R345 WeakPolarHBondContact CB-O 3.48Å; R343-R345 PolarHBondContact O-N 3.06Å; R343-P449 WeakPolarHBondContact O-CG 3.4Å
344Y84.6Confident95Very high188 Ų18858.4 Ų58.474%0.73728%0.279SS*.SBendtrans-65-23.7174.8-69.7-74.1000113.6P449Y344-P449 HydrophobicContact CD1-CB 4.09Å; Y344-P449 HydrophobicContact CE1-CB 3.94Å
345R85.4Confident94.9Very high235 Ų23558.4 Ų58.489%0.88728%0.279SS*.SBendtrans-115.2121.3173.8-65.4-176.7-178174.60.5108.6R343R343-R345 WeakPolarHBondContact CB-O 3.48Å; R343-R345 PolarHBondContact O-N 3.06Å
346L89.6Confident94.9Very high37 Ų3759.8 Ų59.819%0.19429%0.286CS..  trans-124.8130178179.766.1000108.7T341 F348 L364 I446 M448T341-L346 HydrophobicContact CG2-CB 4.41Å; T341-L346 HydrophobicContact CG2-CD2 4.16Å; L346-F348 HydrophobicContact CD2-CD2 4.22Å; L346-F348 PolarHBondContact O-N 3.19Å; L346-F348 VanDerWaalsContact O-N 3.12Å; L346-L364 HydrophobicContact CD1-CD2 4.05Å; L346-L364 HydrophobicContact CD2-CD2 4.14Å; L346-I446 HydrophobicContact CD2-CD1 3.96Å; L346-I446 HydrophobicContact CD2-CG2 3.91Å; L346-M448 HydrophobicContact CB-CE 4.32Å; L346-M448 HydrophobicContact CD2-SD 4.39Å
347S93.1Very high94.8Very high90 Ų9062.2 Ų62.263%0.62930%0.303SS*.  trans-73.798159.4-177.20000106.9Q358S347-Q358 PolarHBondContact O-NE2 2.98Å
348F95.9Very high94.8Very high24 Ų2463.1 Ų63.111%0.10531%0.307CS..  trans-61.8124.8-171.9-163.3-80.3000110.1H236 L309 P310 Y312 L346 K350 Y444 I446H236-F348 AromaticContact CE1-CD1 3.72Å; H236-F348 AromaticContact CE1-CD2 3.59Å; H236-F348 AromaticContact CE1-CE1 3.85Å; H236-F348 AromaticContact CE1-CE2 3.7Å; H236-F348 AromaticContact CE1-CG 3.59Å; H236-F348 AromaticContact CE1-CZ 3.82Å; H236-F348 AromaticContact ND1-CZ 3.92Å; L309-F348 HydrophobicContact CB-CD2 4.36Å; L309-F348 HydrophobicContact CB-CE2 3.57Å; L309-F348 HydrophobicContact CB-CZ 4.21Å; L309-F348 HydrophobicContact CD1-CD2 4.35Å; L309-F348 HydrophobicContact CD1-CE2 4.36Å; P310-F348 WeakPolarHBondContact O-CZ 3.18Å; Y312-F348 HydrophobicContact CD2-CD1 4.15Å; Y312-F348 AromaticContact CE2-CD1 3.97Å; Y312-F348 HydrophobicContact CE2-CD1 3.97Å; Y312-F348 HydrophobicContact CE2-CG 4.47Å; L346-F348 HydrophobicContact CD2-CD2 4.22Å; L346-F348 PolarHBondContact O-N 3.19Å; L346-F348 VanDerWaalsContact O-N 3.12Å; F348-K350 PolarHBondContact O-N 3.15Å; F348-Y444 HydrophobicContact CE1-CE2 4.05Å; F348-Y444 HydrophobicContact CZ-CE2 4.4Å; F348-I446 HydrophobicContact CD2-CD1 4.25Å; F348-I446 HydrophobicContact CE1-CD1 4.42Å; F348-I446 HydrophobicContact CE2-CB 3.94Å; F348-I446 HydrophobicContact CE2-CD1 3.78Å; F348-I446 HydrophobicContact CE2-CG1 4.04Å; F348-I446 HydrophobicContact CZ-CB 4.38Å; F348-I446 HydrophobicContact CZ-CD1 3.88Å; F348-I446 HydrophobicContact CZ-CG1 4.07Å
349P96.9Very high94.7Very high0 Ų064.5 Ų64.50%031%0.314CS..  trans-65.3132.9-175.325.3-32.8000110.6E354 L355 L364 Y444 I446P349-E354 HydrophobicContact CB-CB 4.04Å; P349-E354 HydrophobicContact CB-CG 4.03Å; P349-L355 HydrophobicContact CB-CB 3.93Å; P349-L355 HydrophobicContact CG-CB 3.96Å; P349-L355 HydrophobicContact CG-CD1 4.18Å; P349-L355 HydrophobicContact CG-CG 4.41Å; P349-L364 HydrophobicContact CG-CD1 4.28Å; P349-Y444 HydrophobicContact CG-CE2 3.93Å; P349-Y444 PolarHBondContact O-OH 3Å; P349-I446 VanDerWaalsContact CD-CD1 3.49Å; P349-I446 HydrophobicContact CG-CD1 3.54Å
350K94.3Very high94.6Very high173 Ų17369.6 Ų69.675%0.75234%0.342SS*.SBendtrans-87.5-10.7-178.3-60-177.4-178.1179.50113.1F348 E354F348-K350 PolarHBondContact O-N 3.15Å; K350-E354 PolarHBondContact N-OE2 3.24Å
351S96.1Very high94.5Very high53 Ų5375.9 Ų75.937%0.37137%0.373SS..SBendtrans-151.1162.1-179.767.70000111.8A353 E354 L355 Y444S351-A353 VanDerWaalsContact C-N 3.26Å; S351-A353 PolarHBondContact O-N 3.43Å; S351-E354 PolarHBondContact O-N 2.93Å; S351-E354 PolarHBondContact OG-N 3.33Å; S351-L355 PolarHBondContact O-N 2.9Å; S351-Y444 PolarHBondContact N-OH 3.14Å
352K97.3Very high94.4Very high30 Ų3077.5 Ų77.513%0.1339%0.39CS..Hα-helixtrans-54.6-41.9171-179.2176179.9175.50111.9E354 L355 L356 W384 R385 A387 P441K352-E354 PolarHBondContact O-N 3.36Å; K352-L355 PolarHBondContact O-N 3.16Å; K352-L356 HydrophobicContact CG-CD1 4.19Å; K352-L356 HydrophobicContact CG-CG 4.32Å; K352-L356 VanDerWaalsContact O-CG 3.25Å; K352-L356 WeakPolarHBondContact O-CG 3.31Å; K352-L356 PolarHBondContact O-N 3.01Å; K352-W384 HydrophobicContact CD-CH2 4.17Å; K352-W384 HydrophobicContact CD-CZ2 4.2Å; K352-W384 WeakPolarHBondContact CE-O 3.29Å; K352-W384 HydrophobicContact CG-CH2 3.85Å; K352-W384 HydrophobicContact CG-CZ2 4.32Å; K352-W384 HydrophobicContact CG-CZ3 4.32Å; K352-W384 PolarHBondContact NZ-O 3.5Å; K352-R385 WeakPolarHBondContact CE-O 3.49Å; K352-A387 PolarHBondContact NZ-O 2.79Å; K352-P441 WeakPolarHBondContact CD-O 3.45Å; K352-P441 WeakPolarHBondContact CE-O 3.39Å; K352-P441 PolarHBondContact NZ-O 3.46Å
353A97.5Very high94.6Very high70 Ų7073.2 Ų73.258%0.57937%0.368SS*.Hα-helixtrans-61.3-42.717900000112.3S351 L356 S357S351-A353 VanDerWaalsContact C-N 3.26Å; S351-A353 PolarHBondContact O-N 3.43Å; A353-L356 PolarHBondContact O-N 3.14Å; A353-S357 PolarHBondContact O-N 3.32Å
354E97.6Very high94.8Very high60 Ų6066.5 Ų66.528%0.2834%0.343SS..Hα-helixtrans-66.7-41.1175.9-169.1-177.7171.700111.5P349 K350 S351 K352 L356 S357 Q358P349-E354 HydrophobicContact CB-CB 4.04Å; P349-E354 HydrophobicContact CB-CG 4.03Å; K350-E354 PolarHBondContact N-OE2 3.24Å; S351-E354 PolarHBondContact O-N 2.93Å; S351-E354 PolarHBondContact OG-N 3.33Å; K352-E354 PolarHBondContact O-N 3.36Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 2.89Å; E354-S357 WeakPolarHBondContact O-CB 3.49Å; E354-S357 PolarHBondContact O-N 3.07Å; E354-Q358 WeakPolarHBondContact O-CG 3.44Å; E354-Q358 PolarHBondContact O-N 2.76Å
355L97.9Very high95.4Very high0 Ų059.9 Ų59.90%032%0.318CS..Hα-helixtrans-60.5-43174.3179.6145.4000111.8F339 P349 S351 K352 S357 Q358 L359 L364 W384 Y444 I446F339-L355 HydrophobicContact CD1-CD2 4.39Å; F339-L355 HydrophobicContact CD2-CD1 3.77Å; F339-L355 HydrophobicContact CD2-CD2 4.29Å; F339-L355 HydrophobicContact CE1-CD2 4.09Å; F339-L355 HydrophobicContact CE2-CD1 4.06Å; F339-L355 HydrophobicContact CE2-CD2 3.98Å; F339-L355 HydrophobicContact CG-CD1 4.22Å; F339-L355 HydrophobicContact CG-CD2 4.48Å; F339-L355 HydrophobicContact CZ-CD2 3.87Å; P349-L355 HydrophobicContact CB-CB 3.93Å; P349-L355 HydrophobicContact CG-CB 3.96Å; P349-L355 HydrophobicContact CG-CD1 4.18Å; P349-L355 HydrophobicContact CG-CG 4.41Å; S351-L355 PolarHBondContact O-N 2.9Å; K352-L355 PolarHBondContact O-N 3.16Å; L355-S357 VanDerWaalsContact C-N 3.35Å; L355-Q358 PolarHBondContact O-N 3.5Å; L355-L359 HydrophobicContact CD2-CD1 3.61Å; L355-L359 HydrophobicContact CD2-CG 4.16Å; L355-L359 WeakPolarHBondContact O-CG 3.43Å; L355-L359 PolarHBondContact O-N 3.29Å; L355-L364 HydrophobicContact CD1-CD1 4.25Å; L355-L364 HydrophobicContact CG-CD1 3.95Å; L355-W384 HydrophobicContact CD2-CH2 3.86Å; L355-W384 HydrophobicContact CD2-CZ3 3.77Å; L355-Y444 HydrophobicContact CD1-CD1 4.06Å; L355-Y444 HydrophobicContact CD1-CD2 3.22Å; L355-Y444 HydrophobicContact CD1-CE1 4.33Å; L355-Y444 HydrophobicContact CD1-CE2 3.55Å; L355-Y444 HydrophobicContact CD1-CG 3.51Å; L355-I446 HydrophobicContact CD1-CD1 4.36Å
356L98Very high95.9Very high30 Ų3050.7 Ų50.716%0.15729%0.288CS..Hα-helixtrans-62.1-42.8176-68.9175.8000111.5K352 A353 E354 Q358 L359 D360 W384 R385K352-L356 HydrophobicContact CG-CD1 4.19Å; K352-L356 HydrophobicContact CG-CG 4.32Å; K352-L356 VanDerWaalsContact O-CG 3.25Å; K352-L356 WeakPolarHBondContact O-CG 3.31Å; K352-L356 PolarHBondContact O-N 3.01Å; A353-L356 PolarHBondContact O-N 3.14Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 2.89Å; L356-Q358 VanDerWaalsContact C-N 3.3Å; L356-Q358 PolarHBondContact O-N 3.42Å; L356-L359 HydrophobicContact CD2-CD1 4.18Å; L356-L359 WeakPolarHBondContact O-CB 3.44Å; L356-L359 PolarHBondContact O-N 3.09Å; L356-D360 PolarHBondContact O-N 2.84Å; L356-W384 HydrophobicContact CD2-CZ3 4.13Å; L356-R385 HydrophobicContact CD2-CB 3.99Å; L356-R385 HydrophobicContact CD2-CG 3.6Å
357S97.7Very high96.2Very high51 Ų5149.7 Ų49.736%0.35728%0.282SS..Hα-helixtrans-59-42.7173.9-1760000111.7A353 E354 L355 L359 D360 M361A353-S357 PolarHBondContact O-N 3.32Å; E354-S357 WeakPolarHBondContact O-CB 3.49Å; E354-S357 PolarHBondContact O-N 3.07Å; L355-S357 VanDerWaalsContact C-N 3.35Å; S357-L359 PolarHBondContact O-N 3.37Å; S357-D360 PolarHBondContact O-N 3.23Å; S357-M361 VanDerWaalsContact O-CG 3.28Å; S357-M361 WeakPolarHBondContact O-CG 3.08Å; S357-M361 PolarHBondContact O-N 3.42Å; S357-M361 VanDerWaalsContact OG-CE 3.3Å; S357-M361 WeakPolarHBondContact OG-CE 3.48Å
358Q97.2Very high96.1Very high21 Ų2149.1 Ų49.110%0.09827%0.266CS..Hα-helixtrans-67.2-33.2177.1-73.9-173.92100113.5S347 E354 L355 L356 G362 T363 L364S347-Q358 PolarHBondContact O-NE2 2.98Å; E354-Q358 WeakPolarHBondContact O-CG 3.44Å; E354-Q358 PolarHBondContact O-N 2.76Å; L355-Q358 PolarHBondContact O-N 3.5Å; L356-Q358 VanDerWaalsContact C-N 3.3Å; L356-Q358 PolarHBondContact O-N 3.42Å; Q358-G362 PolarHBondContact O-N 2.67Å; Q358-T363 WeakPolarHBondContact CA-OG1 3.47Å; Q358-T363 VanDerWaalsContact CB-OG1 3.26Å; Q358-T363 WeakPolarHBondContact CB-OG1 3.37Å; Q358-T363 PolarHBondContact O-N 3.38Å; Q358-T363 PolarHBondContact O-OG1 2.84Å; Q358-L364 HydrophobicContact CB-CB 4.43Å; Q358-L364 HydrophobicContact CB-CD1 3.82Å; Q358-L364 HydrophobicContact CB-CG 3.95Å; Q358-L364 PolarHBondContact O-N 3.34Å; Q358-L364 VanDerWaalsContact OE1-CD1 3.31Å
359L96.2Very high95.6Very high29 Ų2952.4 Ų52.415%0.15228%0.279CS..Hα-helixtrans-65.6-45170.7-72170.7000111.2F339 L355 L356 S357 M361 G362 L364F339-L359 HydrophobicContact CD1-CD1 4.15Å; F339-L359 HydrophobicContact CD1-CD2 3.84Å; F339-L359 HydrophobicContact CD1-CG 4.49Å; F339-L359 HydrophobicContact CE1-CD1 3.71Å; F339-L359 HydrophobicContact CE1-CD2 4.18Å; F339-L359 HydrophobicContact CZ-CD1 4.49Å; L355-L359 HydrophobicContact CD2-CD1 3.61Å; L355-L359 HydrophobicContact CD2-CG 4.16Å; L355-L359 WeakPolarHBondContact O-CG 3.43Å; L355-L359 PolarHBondContact O-N 3.29Å; L356-L359 HydrophobicContact CD2-CD1 4.18Å; L356-L359 WeakPolarHBondContact O-CB 3.44Å; L356-L359 PolarHBondContact O-N 3.09Å; S357-L359 PolarHBondContact O-N 3.37Å; L359-M361 VanDerWaalsContact C-N 3.27Å; L359-M361 PolarHBondContact O-N 3.05Å; L359-G362 PolarHBondContact O-N 3.27Å; L359-L364 HydrophobicContact CD2-CB 3.81Å; L359-L364 WeakPolarHBondContact CD2-O 3.39Å; L359-L364 HydrophobicContact CG-CB 4.29Å
360D96.8Very high95.1Very high110 Ų11057.3 Ų57.359%0.58830%0.302SS*.Hα-helixtrans-67.7-30.8-177.8-63.7-14.1000111.8L356 S357 G362 R385L356-D360 PolarHBondContact O-N 2.84Å; S357-D360 PolarHBondContact O-N 3.23Å; D360-G362 VanDerWaalsContact C-N 3.28Å; D360-G362 PolarHBondContact O-N 3.48Å; D360-R385 VanDerWaalsContact CG-NH2 3.26Å; D360-R385 IonicContact OD1-CZ 3Å; D360-R385 IonicContact OD1-NH1 3.94Å; D360-R385 PolarHBondContact OD1-NH1 3.47Å; D360-R385 IonicContact OD1-NH2 3.9Å; D360-R385 PolarHBondContact OD1-NH2 2.64Å; D360-R385 IonicContact OD2-NH2 3.88Å; D360-R385 PolarHBondContact OD2-NH2 3.44Å
361M95.1Very high94.8Very high137 Ų13753 Ų5368%0.67529%0.29SS*.THydrogen-bonded Turntrans-78.9-4.5172.1-67175.8-170.100113.9S357 L359 T363S357-M361 VanDerWaalsContact O-CG 3.28Å; S357-M361 WeakPolarHBondContact O-CG 3.08Å; S357-M361 PolarHBondContact O-N 3.42Å; S357-M361 VanDerWaalsContact OG-CE 3.3Å; S357-M361 WeakPolarHBondContact OG-CE 3.48Å; L359-M361 VanDerWaalsContact C-N 3.27Å; L359-M361 PolarHBondContact O-N 3.05Å; M361-T363 VanDerWaalsContact C-N 3.31Å; M361-T363 HydrophobicContact CB-CG2 4.07Å; M361-T363 PolarHBondContact O-N 3.42Å
362G93.8Very high94.4Very high37 Ų3755.2 Ų55.238%0.38129%0.29SS..THydrogen-bonded Turntrans68.327.4-177.900000114.2Q358 L359 D360 F365Q358-G362 PolarHBondContact O-N 2.67Å; L359-G362 PolarHBondContact O-N 3.27Å; D360-G362 VanDerWaalsContact C-N 3.28Å; D360-G362 PolarHBondContact O-N 3.48Å; G362-F365 VanDerWaalsContact O-CZ 3.31Å; G362-F365 WeakPolarHBondContact O-CZ 3.47Å
363T94.1Very high94Very high20 Ų2057.9 Ų57.912%0.12331%0.309CS..SBendtrans-95.5-25.2176.964.50000113T341 Q358 M361T341-T363 PolarHBondContact OG1-O 3.34Å; Q358-T363 WeakPolarHBondContact CA-OG1 3.47Å; Q358-T363 VanDerWaalsContact CB-OG1 3.26Å; Q358-T363 WeakPolarHBondContact CB-OG1 3.37Å; Q358-T363 PolarHBondContact O-N 3.38Å; Q358-T363 PolarHBondContact O-OG1 2.84Å; M361-T363 VanDerWaalsContact C-N 3.31Å; M361-T363 HydrophobicContact CB-CG2 4.07Å; M361-T363 PolarHBondContact O-N 3.42Å
364L96.4Very high93.7Very high2 Ų261 Ų611%0.0131%0.309CS..SBendtrans-117.4157.7167.7-68.6-179.7000109.5E340 L346 P349 L355 Q358 L359 I446E340-L364 WeakPolarHBondContact O-CA 3.47Å; L346-L364 HydrophobicContact CD1-CD2 4.05Å; L346-L364 HydrophobicContact CD2-CD2 4.14Å; P349-L364 HydrophobicContact CG-CD1 4.28Å; L355-L364 HydrophobicContact CD1-CD1 4.25Å; L355-L364 HydrophobicContact CG-CD1 3.95Å; Q358-L364 HydrophobicContact CB-CB 4.43Å; Q358-L364 HydrophobicContact CB-CD1 3.82Å; Q358-L364 HydrophobicContact CB-CG 3.95Å; Q358-L364 PolarHBondContact O-N 3.34Å; Q358-L364 VanDerWaalsContact OE1-CD1 3.31Å; L359-L364 HydrophobicContact CD2-CB 3.81Å; L359-L364 WeakPolarHBondContact CD2-O 3.39Å; L359-L364 HydrophobicContact CG-CB 4.29Å; L364-I446 HydrophobicContact CD1-CD1 3.95Å; L364-I446 HydrophobicContact CD2-CD1 4.32Å; L364-I446 HydrophobicContact CD2-CG2 4.09Å
365F96.4Very high93.6Very high49 Ų4958.1 Ų58.122%0.21530%0.296CS..EExtended strand (participates in β ladder)trans-133.9161.4174.1-53.6-85.9000110F339 E340 L342 G362 Y369F339-F365 CarbonylContact C-O 3.56Å; F339-F365 WeakPolarHBondContact CA-O 3.43Å; F339-F365 WeakPolarHBondContact CB-O 3.44Å; E340-F365 HydrophobicContact CG-CB 3.98Å; E340-F365 PolarHBondContact N-O 3.41Å; E340-F365 PolarHBondContact O-N 2.81Å; L342-F365 HydrophobicContact CD1-CE2 3.99Å; L342-F365 HydrophobicContact CG-CD2 4.37Å; L342-F365 HydrophobicContact CG-CE2 4.11Å; G362-F365 VanDerWaalsContact O-CZ 3.31Å; G362-F365 WeakPolarHBondContact O-CZ 3.47Å; F365-Y369 HydrophobicContact CB-CD1 3.43Å; F365-Y369 VanDerWaalsContact CB-CD1 3.43Å; F365-Y369 HydrophobicContact CB-CE1 3.47Å; F365-Y369 VanDerWaalsContact CB-CE1 3.47Å; F365-Y369 HydrophobicContact CB-CG 4.33Å; F365-Y369 HydrophobicContact CD1-CD1 4.19Å; F365-Y369 AromaticContact CD1-CE1 3.53Å; F365-Y369 HydrophobicContact CD1-CE1 3.53Å; F365-Y369 HydrophobicContact CD1-CE2 4.37Å; F365-Y369 AromaticContact CD1-CZ 3.63Å; F365-Y369 HydrophobicContact CD2-CE1 4.12Å; F365-Y369 HydrophobicContact CE1-CE1 4.31Å; F365-Y369 AromaticContact CG-CD1 3.94Å; F365-Y369 HydrophobicContact CG-CD1 3.94Å; F365-Y369 AromaticContact CG-CE1 3.41Å; F365-Y369 HydrophobicContact CG-CE1 3.41Å; F365-Y369 VanDerWaalsContact CG-CE1 3.41Å
366T96Very high93.4Very high42 Ų4258.3 Ų58.326%0.25830%0.297SS..EExtended strand (participates in β ladder)trans-64.8141.3165.253.80000108.7F339 R368 Y369 F381F339-T366 HydrophobicContact CD1-CG2 4.37Å; F339-T366 HydrophobicContact CE1-CG2 4.17Å; T366-R368 PolarHBondContact O-N 3.04Å; T366-Y369 WeakPolarHBondContact O-CB 3.22Å; T366-Y369 PolarHBondContact O-N 3.16Å; T366-Y369 WeakPolarHBondContact OG1-CB 3.32Å; T366-F381 HydrophobicContact CG2-CB 3.89Å; T366-F381 HydrophobicContact CG2-CD1 3.57Å; T366-F381 HydrophobicContact CG2-CD2 3.79Å; T366-F381 HydrophobicContact CG2-CE1 3.95Å; T366-F381 HydrophobicContact CG2-CE2 4.16Å; T366-F381 HydrophobicContact CG2-CG 3.47Å; T366-F381 VanDerWaalsContact CG2-CG 3.47Å; T366-F381 HydrophobicContact CG2-CZ 4.23Å
367F95.6Very high93.3Very high15 Ų1559.5 Ų59.57%0.06631%0.311CS..THydrogen-bonded Turntrans-59.6130.5-171.7178.5-117.8000111.5F308 A338 E340 Y369 H376 Y402 H447F308-F367 HydrophobicContact CE1-CD2 4.15Å; F308-F367 HydrophobicContact CE1-CE2 4.29Å; F308-F367 HydrophobicContact CE1-CG 4.32Å; F308-F367 HydrophobicContact CE2-CE2 4.3Å; F308-F367 HydrophobicContact CE2-CZ 4.12Å; F308-F367 HydrophobicContact CZ-CD1 4.06Å; F308-F367 AromaticContact CZ-CD2 3.79Å; F308-F367 HydrophobicContact CZ-CD2 3.79Å; F308-F367 AromaticContact CZ-CE1 3.8Å; F308-F367 HydrophobicContact CZ-CE1 3.8Å; F308-F367 AromaticContact CZ-CE2 3.51Å; F308-F367 HydrophobicContact CZ-CE2 3.51Å; F308-F367 HydrophobicContact CZ-CG 4.07Å; F308-F367 AromaticContact CZ-CZ 3.52Å; F308-F367 HydrophobicContact CZ-CZ 3.52Å; A338-F367 HydrophobicContact CB-CB 3.74Å; A338-F367 HydrophobicContact CB-CD1 4.27Å; A338-F367 HydrophobicContact CB-CG 4.18Å; A338-F367 WeakPolarHBondContact O-CB 3.26Å; A338-F367 PolarHBondContact O-N 2.99Å; A338-F367 VanDerWaalsContact O-N 3.09Å; E340-F367 HydrophobicContact CB-CD2 4.1Å; E340-F367 WeakPolarHBondContact OE2-CD2 3.32Å; F367-Y369 PolarHBondContact O-N 3.36Å; F367-H376 AromaticContact CD1-CD2 3.76Å; F367-H376 AromaticContact CD1-CE1 3.74Å; F367-H376 AromaticContact CD1-NE2 3.24Å; F367-H376 WeakPolarHBondContact CD1-NE2 3.42Å; F367-H376 AromaticContact CE1-NE2 3.59Å; F367-Y402 HydrophobicContact CD1-CE2 4.24Å; F367-Y402 HydrophobicContact CE1-CE2 4.18Å; F367-H447 HydrophobicContact CD2-CB 3.71Å; F367-H447 AromaticContact CD2-CG 4Å; F367-H447 HydrophobicContact CE2-CB 3.75Å; F367-H447 AromaticContact CE2-CD2 3.82Å; F367-H447 AromaticContact CE2-CG 3.52Å; F367-H447 AromaticContact CE2-ND1 3.93Å
368R90.9Very high93.3Very high79 Ų7957.6 Ų57.630%0.29830%0.297SS..THydrogen-bonded Turntrans55.726.9-179-57.6-62.3-170.1177.7-2.9115.7E340 T366 H370 V371 W372E340-R368 PolarHBondContact OE1-N 3.41Å; E340-R368 PolarHBondContact OE2-N 2.83Å; T366-R368 PolarHBondContact O-N 3.04Å; R368-H370 PolarHBondContact O-N 3.3Å; R368-V371 HydrophobicContact CB-CG2 4Å; R368-V371 HydrophobicContact CG-CG2 4.37Å; R368-V371 PolarHBondContact O-N 3.16Å; R368-V371 VanDerWaalsContact O-N 3.12Å; R368-W372 HydrophobicContact CB-CB 3.89Å; R368-W372 CarbonylContact O-C 3.6Å; R368-W372 PolarHBondContact O-N 3.38Å
369Y86.5Confident93.3Very high93 Ų9356.7 Ų56.737%0.36529%0.293SS..THydrogen-bonded Turntrans-55.6-22.4-177.580.4-79.4000115.2E340 F365 T366 F367 T373E340-Y369 WeakPolarHBondContact OE1-CD1 3.49Å; F365-Y369 HydrophobicContact CB-CD1 3.43Å; F365-Y369 VanDerWaalsContact CB-CD1 3.43Å; F365-Y369 HydrophobicContact CB-CE1 3.47Å; F365-Y369 VanDerWaalsContact CB-CE1 3.47Å; F365-Y369 HydrophobicContact CB-CG 4.33Å; F365-Y369 HydrophobicContact CD1-CD1 4.19Å; F365-Y369 AromaticContact CD1-CE1 3.53Å; F365-Y369 HydrophobicContact CD1-CE1 3.53Å; F365-Y369 HydrophobicContact CD1-CE2 4.37Å; F365-Y369 AromaticContact CD1-CZ 3.63Å; F365-Y369 HydrophobicContact CD2-CE1 4.12Å; F365-Y369 HydrophobicContact CE1-CE1 4.31Å; F365-Y369 AromaticContact CG-CD1 3.94Å; F365-Y369 HydrophobicContact CG-CD1 3.94Å; F365-Y369 AromaticContact CG-CE1 3.41Å; F365-Y369 HydrophobicContact CG-CE1 3.41Å; F365-Y369 VanDerWaalsContact CG-CE1 3.41Å; T366-Y369 WeakPolarHBondContact O-CB 3.22Å; T366-Y369 PolarHBondContact O-N 3.16Å; T366-Y369 WeakPolarHBondContact OG1-CB 3.32Å; F367-Y369 PolarHBondContact O-N 3.36Å; Y369-T373 WeakPolarHBondContact O-CG2 3.48Å
370H85.6Confident93.3Very high103 Ų10358.8 Ų58.848%0.47730%0.304SS..THydrogen-bonded Turntrans-103.6-10.3-175.561-75.4000113.9E340 R368E340-H370 IonicContact OE1-CE1 3.98Å; E340-H370 PolarHBondContact OE1-CE1 2.54Å; E340-H370 IonicContact OE1-ND1 3.31Å; E340-H370 PolarHBondContact OE1-ND1 2.88Å; R368-H370 PolarHBondContact O-N 3.3Å
371V87.4Confident93.4Very high83 Ų8355 Ų5550%0.50328%0.283SS..THydrogen-bonded Turntrans-130.8-25.7-176.4-70.20000114.9R368R368-V371 HydrophobicContact CB-CG2 4Å; R368-V371 HydrophobicContact CG-CG2 4.37Å; R368-V371 PolarHBondContact O-N 3.16Å; R368-V371 VanDerWaalsContact O-N 3.12Å
372W88.3Confident93.4Very high98 Ų9852 Ų5237%0.37128%0.28SS..  trans-148.858-174.5-164.4-115.7000111.6R368 K374 G375 D398R368-W372 HydrophobicContact CB-CB 3.89Å; R368-W372 CarbonylContact O-C 3.6Å; R368-W372 PolarHBondContact O-N 3.38Å; W372-K374 PolarHBondContact O-N 2.92Å; W372-G375 PolarHBondContact O-N 2.8Å; W372-D398 HydrophobicContact CH2-CB 4.26Å; W372-D398 HydrophobicContact CZ2-CB 3.68Å
373T89.5Confident93.6Very high87 Ų8754.8 Ų54.853%0.53428%0.282SS..SBendtrans-59.9-43.3-17749.20000113.1Y369 G375 H376 A377Y369-T373 WeakPolarHBondContact O-CG2 3.48Å; T373-G375 PolarHBondContact O-N 3.09Å; T373-H376 PolarHBondContact O-N 2.89Å; T373-A377 WeakPolarHBondContact O-CB 3.5Å; T373-A377 PolarHBondContact O-N 3.4Å
374K91.6Very high93.8Very high134 Ų13453.9 Ų53.958%0.58328%0.276SS*.THydrogen-bonded Turntrans-56.9-34.9-179.4-68.7-172.3176.5-175.90112.6W372 H376 A377 D398W372-K374 PolarHBondContact O-N 2.92Å; K374-H376 PolarHBondContact O-N 3.23Å; K374-H376 VanDerWaalsContact O-N 3.09Å; K374-A377 PolarHBondContact O-N 3Å; K374-D398 HydrophobicContact CB-CB 4.35Å
375G93.9Very high93.9Very high0 Ų057.8 Ų57.80%029%0.291CS..THydrogen-bonded Turntrans-60.4-23.6-178.400000115.1W372 T373 D398 F399 E400W372-G375 PolarHBondContact O-N 2.8Å; T373-G375 PolarHBondContact O-N 3.09Å; G375-D398 WeakPolarHBondContact CA-O 3.45Å; G375-F399 WeakPolarHBondContact O-CD2 3.36Å; G375-E400 PolarHBondContact O-N 3.28Å
376H95.6Very high94Very high5 Ų561.1 Ų61.12%0.02332%0.315CS..THydrogen-bonded Turntrans-128.3-3.7-178.7-64.3-82.6000114F367 T373 K374 T379 F381 E400F367-H376 AromaticContact CD1-CD2 3.76Å; F367-H376 AromaticContact CD1-CE1 3.74Å; F367-H376 AromaticContact CD1-NE2 3.24Å; F367-H376 WeakPolarHBondContact CD1-NE2 3.42Å; F367-H376 AromaticContact CE1-NE2 3.59Å; T373-H376 PolarHBondContact O-N 2.89Å; K374-H376 PolarHBondContact O-N 3.23Å; K374-H376 VanDerWaalsContact O-N 3.09Å; H376-T379 WeakPolarHBondContact O-CB 3.4Å; H376-T379 PolarHBondContact O-N 2.96Å; H376-T379 PolarHBondContact O-OG1 3.27Å; H376-F381 HydrophobicContact CB-CE2 3.84Å; H376-F381 HydrophobicContact CB-CZ 4.15Å; H376-E400 PolarHBondContact CE1-O 3.47Å
377A94.9Very high94.1Very high55 Ų5559.8 Ų59.846%0.45531%0.308SS..G310 helixtrans-53.2-43.6-177.500000113.9T373 K374 T379 N380T373-A377 WeakPolarHBondContact O-CB 3.5Å; T373-A377 PolarHBondContact O-N 3.4Å; K374-A377 PolarHBondContact O-N 3Å; A377-T379 PolarHBondContact O-N 3.39Å; A377-N380 PolarHBondContact O-N 3.25Å
378P97.1Very high94.1Very high10 Ų1064.6 Ų64.67%0.06534%0.339CS..G310 helixtrans-59.9-22.3179.1-2736.3000114.7N380 V393 E396 F399P378-N380 PolarHBondContact O-N 3.09Å; P378-V393 WeakPolarHBondContact O-CB 3.32Å; P378-V393 WeakPolarHBondContact O-CG1 3.43Å; P378-E396 HydrophobicContact CG-CB 3.76Å; P378-E396 HydrophobicContact CG-CG 3.92Å; P378-F399 HydrophobicContact CB-CD1 4.3Å; P378-F399 HydrophobicContact CB-CD2 3.79Å; P378-F399 HydrophobicContact CB-CE1 4.21Å; P378-F399 HydrophobicContact CB-CE2 3.72Å; P378-F399 HydrophobicContact CB-CG 4.1Å; P378-F399 HydrophobicContact CB-CZ 3.93Å; P378-F399 HydrophobicContact CG-CB 4.12Å; P378-F399 HydrophobicContact CG-CD1 4.4Å; P378-F399 HydrophobicContact CG-CD2 3.54Å; P378-F399 HydrophobicContact CG-CE2 3.99Å; P378-F399 HydrophobicContact CG-CG 3.78Å
379T97.5Very high94.4Very high2 Ų265.3 Ų65.31%0.01235%0.352CS..G310 helixtrans-55.7-26.3173.5-47.50000112.1V335 P337 H376 A377 F381 Y391 V439V335-T379 HydrophobicContact CG1-CG2 4.36Å; P337-T379 HydrophobicContact CB-CG2 4.1Å; P337-T379 HydrophobicContact CG-CG2 3.86Å; H376-T379 WeakPolarHBondContact O-CB 3.4Å; H376-T379 PolarHBondContact O-N 2.96Å; H376-T379 PolarHBondContact O-OG1 3.27Å; A377-T379 PolarHBondContact O-N 3.39Å; T379-F381 HydrophobicContact CG2-CE1 4.34Å; T379-F381 HydrophobicContact CG2-CZ 4.28Å; T379-Y391 PolarHBondContact O-OH 3.49Å; T379-V439 HydrophobicContact CG2-CG1 4.09Å; T379-V439 HydrophobicContact CG2-CG2 4.28Å
380N97.4Very high95Very high73 Ų7363.2 Ų63.239%0.3935%0.35SS..  trans53.170-178.1-168-21.4000111.8A377 P378 A382 K383 W384 Y391A377-N380 PolarHBondContact O-N 3.25Å; P378-N380 PolarHBondContact O-N 3.09Å; N380-A382 PolarHBondContact O-N 3.29Å; N380-K383 HydrophobicContact CB-CB 4.17Å; N380-K383 VanDerWaalsContact CG-CB 3.48Å; N380-K383 PolarHBondContact O-N 2.97Å; N380-K383 VanDerWaalsContact O-N 3.1Å; N380-K383 WeakPolarHBondContact OD1-CB 3.35Å; N380-K383 PolarHBondContact OD1-N 3.3Å; N380-W384 PolarHBondContact O-N 2.91Å; N380-Y391 PolarHBondContact O-OH 3.14Å
381F97.1Very high95.6Very high30 Ų3059.1 Ų59.113%0.13233%0.33CS..Hα-helixtrans-58.3-31.7-179.1-68.5-84.7000112.9P337 A338 F339 T366 H376 T379 W384 R385P337-F381 HydrophobicContact CB-CE1 4.04Å; A338-F381 WeakPolarHBondContact O-CE1 3.41Å; F339-F381 AromaticContact CE1-CD1 3.86Å; F339-F381 HydrophobicContact CE1-CD1 3.86Å; F339-F381 AromaticContact CE1-CE1 3.99Å; F339-F381 HydrophobicContact CE1-CE1 3.99Å; F339-F381 AromaticContact CZ-CD1 3.95Å; F339-F381 HydrophobicContact CZ-CD1 3.95Å; F339-F381 HydrophobicContact CZ-CE1 4.02Å; T366-F381 HydrophobicContact CG2-CB 3.89Å; T366-F381 HydrophobicContact CG2-CD1 3.57Å; T366-F381 HydrophobicContact CG2-CD2 3.79Å; T366-F381 HydrophobicContact CG2-CE1 3.95Å; T366-F381 HydrophobicContact CG2-CE2 4.16Å; T366-F381 HydrophobicContact CG2-CG 3.47Å; T366-F381 VanDerWaalsContact CG2-CG 3.47Å; T366-F381 HydrophobicContact CG2-CZ 4.23Å; H376-F381 HydrophobicContact CB-CE2 3.84Å; H376-F381 HydrophobicContact CB-CZ 4.15Å; T379-F381 HydrophobicContact CG2-CE1 4.34Å; T379-F381 HydrophobicContact CG2-CZ 4.28Å; F381-W384 WeakPolarHBondContact O-CB 3.5Å; F381-W384 PolarHBondContact O-N 2.97Å; F381-R385 WeakPolarHBondContact O-CG 3.41Å; F381-R385 PolarHBondContact O-N 2.83Å
382A96.6Very high96.2Very high75 Ų7561.1 Ų61.162%0.6233%0.333SS*.Hα-helixtrans-61.1-46.3175.500000111.6N380N380-A382 PolarHBondContact O-N 3.29Å
383K98.1Very high96.6Very high95 Ų9557.4 Ų57.441%0.41332%0.32SS..Hα-helixtrans-65.4-41.1171.9-177.8176.1178.5179.20111.7N380 R385 T386 A387 Y391N380-K383 HydrophobicContact CB-CB 4.17Å; N380-K383 VanDerWaalsContact CG-CB 3.48Å; N380-K383 PolarHBondContact O-N 2.97Å; N380-K383 VanDerWaalsContact O-N 3.1Å; N380-K383 WeakPolarHBondContact OD1-CB 3.35Å; N380-K383 PolarHBondContact OD1-N 3.3Å; K383-R385 VanDerWaalsContact C-N 3.26Å; K383-R385 PolarHBondContact O-N 3.29Å; K383-T386 PolarHBondContact O-N 3.4Å; K383-T386 PolarHBondContact O-OG1 2.86Å; K383-A387 WeakPolarHBondContact O-CB 3.21Å; K383-A387 PolarHBondContact O-N 3.05Å; K383-Y391 HydrophobicContact CD-CD1 4.46Å; K383-Y391 HydrophobicContact CD-CD2 3.81Å; K383-Y391 HydrophobicContact CD-CE2 3.91Å; K383-Y391 HydrophobicContact CD-CG 4.09Å; K383-Y391 HydrophobicContact CG-CE1 4.33Å; K383-Y391 HydrophobicContact CG-CE2 4.35Å
384W98.4Very high96.9Very high1 Ų160.1 Ų60.10%0.00433%0.331CS..Hα-helixtrans-56.6-40.2180-174.577.9000112.6P337 F339 K352 L355 L356 N380 F381 T386 A387 Y391 L440 P441 A443 Y444P337-W384 HydrophobicContact CG-CD2 4.45Å; P337-W384 HydrophobicContact CG-CG 4.18Å; F339-W384 HydrophobicContact CE1-CZ3 4.39Å; F339-W384 AromaticContact CE2-CH2 3.87Å; F339-W384 HydrophobicContact CE2-CH2 3.87Å; F339-W384 HydrophobicContact CE2-CZ2 4.37Å; F339-W384 AromaticContact CE2-CZ3 3.99Å; F339-W384 HydrophobicContact CE2-CZ3 3.99Å; F339-W384 HydrophobicContact CZ-CD2 4.44Å; F339-W384 AromaticContact CZ-CE3 3.78Å; F339-W384 HydrophobicContact CZ-CE3 3.78Å; F339-W384 AromaticContact CZ-CH2 3.82Å; F339-W384 HydrophobicContact CZ-CH2 3.82Å; F339-W384 HydrophobicContact CZ-CZ2 4.49Å; F339-W384 AromaticContact CZ-CZ3 3.43Å; F339-W384 HydrophobicContact CZ-CZ3 3.43Å; F339-W384 VanDerWaalsContact CZ-CZ3 3.43Å; K352-W384 HydrophobicContact CD-CH2 4.17Å; K352-W384 HydrophobicContact CD-CZ2 4.2Å; K352-W384 WeakPolarHBondContact CE-O 3.29Å; K352-W384 HydrophobicContact CG-CH2 3.85Å; K352-W384 HydrophobicContact CG-CZ2 4.32Å; K352-W384 HydrophobicContact CG-CZ3 4.32Å; K352-W384 PolarHBondContact NZ-O 3.5Å; L355-W384 HydrophobicContact CD2-CH2 3.86Å; L355-W384 HydrophobicContact CD2-CZ3 3.77Å; L356-W384 HydrophobicContact CD2-CZ3 4.13Å; N380-W384 PolarHBondContact O-N 2.91Å; F381-W384 WeakPolarHBondContact O-CB 3.5Å; F381-W384 PolarHBondContact O-N 2.97Å; W384-T386 PolarHBondContact O-N 3.11Å; W384-A387 PolarHBondContact O-N 3.29Å; W384-Y391 WeakPolarHBondContact CA-OH 3.49Å; W384-Y391 VanDerWaalsContact CB-OH 3.29Å; W384-Y391 WeakPolarHBondContact CB-OH 3.42Å; W384-Y391 PolarHBondContact N-OH 3.34Å; W384-L440 PolarHBondContact NE1-O 3.19Å; W384-P441 PolarHBondContact NE1-O 3.15Å; W384-A443 VanDerWaalsContact CZ2-O 3.32Å; W384-A443 WeakPolarHBondContact CZ2-O 3.5Å; W384-Y444 HydrophobicContact CH2-CD1 4.44Å
385R97.8Very high97.1Very high85 Ų8555.2 Ų55.232%0.32131%0.309SS..Hα-helixtrans-53.3-40-178.3-72.6179.964.9101.24.2112.8K352 L356 D360 F381 K383K352-R385 WeakPolarHBondContact CE-O 3.49Å; L356-R385 HydrophobicContact CD2-CB 3.99Å; L356-R385 HydrophobicContact CD2-CG 3.6Å; D360-R385 VanDerWaalsContact CG-NH2 3.26Å; D360-R385 IonicContact OD1-CZ 3Å; D360-R385 IonicContact OD1-NH1 3.94Å; D360-R385 PolarHBondContact OD1-NH1 3.47Å; D360-R385 IonicContact OD1-NH2 3.9Å; D360-R385 PolarHBondContact OD1-NH2 2.64Å; D360-R385 IonicContact OD2-NH2 3.88Å; D360-R385 PolarHBondContact OD2-NH2 3.44Å; F381-R385 WeakPolarHBondContact O-CG 3.41Å; F381-R385 PolarHBondContact O-N 2.83Å; K383-R385 VanDerWaalsContact C-N 3.26Å; K383-R385 PolarHBondContact O-N 3.29Å
386T97.6Very high97.1Very high118 Ų11860.4 Ų60.472%0.72433%0.333SS*.Hα-helixtrans-103.8-10.7-177.257.70000113.8K383 W384 T388K383-T386 PolarHBondContact O-N 3.4Å; K383-T386 PolarHBondContact O-OG1 2.86Å; W384-T386 PolarHBondContact O-N 3.11Å; T386-T388 PolarHBondContact O-N 3.02Å
387A97.9Very high96.9Very high15 Ų1562.2 Ų62.212%0.12435%0.349CS..  trans-63.2133.3-179.500000112.1K352 K383 W384 Y391 P441K352-A387 PolarHBondContact NZ-O 2.79Å; K383-A387 WeakPolarHBondContact O-CB 3.21Å; K383-A387 PolarHBondContact O-N 3.05Å; W384-A387 PolarHBondContact O-N 3.29Å; A387-Y391 HydrophobicContact CB-CD1 3.93Å; A387-Y391 HydrophobicContact CB-CE1 3.75Å; A387-P441 HydrophobicContact CB-CB 4.03Å; A387-P441 WeakPolarHBondContact O-CB 3.47Å
388T96.8Very high96.8Very high115 Ų11561 Ų6171%0.70634%0.335SS*.  trans-110.7-18172.853.90000112.4T386T386-T388 PolarHBondContact O-N 3.02Å
389T97.8Very high96.8Very high94 Ų9460.5 Ų60.558%0.57733%0.332SS*.SBendtrans-120.1151.8177.959.60000111.2
390P98.4Very high96.7Very high49 Ų4962.1 Ų62.132%0.31834%0.339SS..  trans-55.7145.3171.6-24.936.3000112.3L325 V438 V439 L440 P441L325-P390 HydrophobicContact CD1-CB 4.44Å; L325-P390 HydrophobicContact CD1-CG 4.35Å; L325-P390 HydrophobicContact CD2-CB 4.24Å; L325-P390 HydrophobicContact CD2-CG 4.16Å; P390-V438 HydrophobicContact CB-CG1 3.69Å; P390-V439 WeakPolarHBondContact CA-O 3.4Å; P390-L440 HydrophobicContact CG-CD2 4.44Å; P390-P441 HydrophobicContact CG-CG 4.41Å
391Y98.6Very high96.6Very high17 Ų1758.8 Ų58.87%0.06732%0.321CS..EExtended strand (participates in β ladder)trans-139.3143.8-179.861.3-90.1000112T379 N380 K383 W384 A387 V393 V438 V439T379-Y391 PolarHBondContact O-OH 3.49Å; N380-Y391 PolarHBondContact O-OH 3.14Å; K383-Y391 HydrophobicContact CD-CD1 4.46Å; K383-Y391 HydrophobicContact CD-CD2 3.81Å; K383-Y391 HydrophobicContact CD-CE2 3.91Å; K383-Y391 HydrophobicContact CD-CG 4.09Å; K383-Y391 HydrophobicContact CG-CE1 4.33Å; K383-Y391 HydrophobicContact CG-CE2 4.35Å; W384-Y391 WeakPolarHBondContact CA-OH 3.49Å; W384-Y391 VanDerWaalsContact CB-OH 3.29Å; W384-Y391 WeakPolarHBondContact CB-OH 3.42Å; W384-Y391 PolarHBondContact N-OH 3.34Å; A387-Y391 HydrophobicContact CB-CD1 3.93Å; A387-Y391 HydrophobicContact CB-CE1 3.75Å; Y391-V393 HydrophobicContact CD2-CG1 3.81Å; Y391-V393 HydrophobicContact CE2-CG1 3.66Å; Y391-V438 CarbonylContact O-C 3.56Å; Y391-V439 HydrophobicContact CD1-CB 4.36Å; Y391-V439 HydrophobicContact CD2-CB 4.13Å; Y391-V439 HydrophobicContact CD2-CG2 4.34Å; Y391-V439 HydrophobicContact CE1-CB 3.91Å; Y391-V439 HydrophobicContact CE1-CG1 3.96Å; Y391-V439 HydrophobicContact CE2-CB 3.66Å; Y391-V439 HydrophobicContact CE2-CG1 4.2Å; Y391-V439 HydrophobicContact CE2-CG2 3.75Å; Y391-V439 HydrophobicContact CG-CB 4.47Å; Y391-V439 PolarHBondContact N-O 2.96Å; Y391-V439 PolarHBondContact O-N 3.12Å; Y391-V439 WeakPolarHBondContact OH-CG1 3.2Å
392K98.3Very high96.7Very high126 Ų12657.5 Ų57.555%0.54832%0.316SS..EExtended strand (participates in β ladder)trans-75.9146.3176.7-62.3-174.3179.9-174.60110.9E436 F437 V438K392-E436 WeakPolarHBondContact CE-OE2 3.48Å; K392-E436 IonicContact NZ-OE1 3.75Å; K392-E436 PolarHBondContact NZ-OE1 3.36Å; K392-E436 IonicContact NZ-OE2 3.39Å; K392-E436 PolarHBondContact NZ-OE2 3.25Å; K392-F437 WeakPolarHBondContact CA-O 3.32Å; K392-V438 HydrophobicContact CG-CG2 4.29Å
393V98.1Very high96.8Very high19 Ų1954 Ų5412%0.11529%0.287CS..EExtended strand (participates in β ladder)trans-129.8151.8170.6-610000109.1P378 Y391 F399 F437 V439P378-V393 WeakPolarHBondContact O-CB 3.32Å; P378-V393 WeakPolarHBondContact O-CG1 3.43Å; Y391-V393 HydrophobicContact CD2-CG1 3.81Å; Y391-V393 HydrophobicContact CE2-CG1 3.66Å; V393-F399 HydrophobicContact CG2-CE1 4.43Å; V393-F399 HydrophobicContact CG2-CZ 4.38Å; V393-F437 HydrophobicContact CG2-CB 3.74Å; V393-F437 PolarHBondContact N-O 2.95Å; V393-V439 HydrophobicContact CB-CG2 4.45Å; V393-V439 HydrophobicContact CG1-CG2 3.62Å; V393-V439 HydrophobicContact CG2-CG2 3.94Å
394L96.3Very high96.8Very high145 Ų14549.5 Ų49.576%0.75927%0.267SS*.  trans-87.8146.5175.6-62.5178000109.3
395W95.4Very high96.8Very high30 Ų3049.5 Ų49.511%0.11427%0.267CS..  trans-66141.3168.417994.2000110.1A397 M428 D431 F437 Y491W395-A397 HydrophobicContact CH2-CB 4.35Å; W395-M428 HydrophobicContact CH2-CE 4.03Å; W395-M428 HydrophobicContact CZ2-CB 4.43Å; W395-M428 HydrophobicContact CZ2-CE 3.68Å; W395-M428 HydrophobicContact CZ2-CG 4.33Å; W395-D431 HydrophobicContact CB-CB 4.02Å; W395-D431 VanDerWaalsContact CB-OD1 3.31Å; W395-D431 WeakPolarHBondContact CB-OD1 3.49Å; W395-D431 HydrophobicContact CD2-CB 4.43Å; W395-D431 HydrophobicContact CG-CB 3.78Å; W395-D431 VanDerWaalsContact CG-CG 3.44Å; W395-F437 HydrophobicContact CB-CD2 4.36Å; W395-F437 HydrophobicContact CB-CE2 4Å; W395-Y491 HydrophobicContact CD2-CE1 4.14Å; W395-Y491 HydrophobicContact CE3-CD1 4.39Å; W395-Y491 AromaticContact CE3-CE1 3.87Å; W395-Y491 HydrophobicContact CE3-CE1 3.87Å; W395-Y491 AromaticContact CH2-CD1 3.39Å; W395-Y491 HydrophobicContact CH2-CD1 3.39Å; W395-Y491 AromaticContact CH2-CE1 3.59Å; W395-Y491 HydrophobicContact CH2-CE1 3.59Å; W395-Y491 AromaticContact CZ2-CD1 3.95Å; W395-Y491 HydrophobicContact CZ2-CD1 3.95Å; W395-Y491 AromaticContact CZ2-CE1 3.84Å; W395-Y491 HydrophobicContact CZ2-CE1 3.84Å; W395-Y491 AromaticContact CZ3-CD1 3.64Å; W395-Y491 HydrophobicContact CZ3-CD1 3.64Å; W395-Y491 AromaticContact CZ3-CE1 3.59Å; W395-Y491 HydrophobicContact CZ3-CE1 3.59Å
396E94.1Very high96.8Very high109 Ų10947.8 Ų47.851%0.50926%0.262SS..  trans-133162.4171.4-64-179.4-163.900109.7P378 D398 F399P378-E396 HydrophobicContact CG-CB 3.76Å; P378-E396 HydrophobicContact CG-CG 3.92Å; E396-D398 PolarHBondContact O-N 3.08Å; E396-F399 WeakPolarHBondContact O-CB 3.24Å; E396-F399 PolarHBondContact O-N 3.02Å; E396-F399 VanDerWaalsContact O-N 3.1Å
397A91.5Very high96.8Very high43 Ų4347.6 Ų47.636%0.35525%0.248SC..THydrogen-bonded Turntrans-54.6138.917800000111.4W395 F399 A494W395-A397 HydrophobicContact CH2-CB 4.35Å; A397-F399 PolarHBondContact O-N 3.11Å; A397-A494 HydrophobicContact CB-CB 4.38Å
398D92.3Very high96.6Very high29 Ų2952.1 Ų52.116%0.15527%0.27CS..THydrogen-bonded Turntrans67.73.6-176.9-56-47.2000116W372 K374 G375 E396 E400W372-D398 HydrophobicContact CH2-CB 4.26Å; W372-D398 HydrophobicContact CZ2-CB 3.68Å; K374-D398 HydrophobicContact CB-CB 4.35Å; G375-D398 WeakPolarHBondContact CA-O 3.45Å; E396-D398 PolarHBondContact O-N 3.08Å; D398-E400 PolarHBondContact O-N 3.43Å
399F95.8Very high96.6Very high0 Ų047.1 Ų47.10%024%0.24CC..  trans-59.2128.2179.8-172.2-140.2000112.2G375 P378 V393 E396 A397 P401 I427 F437G375-F399 WeakPolarHBondContact O-CD2 3.36Å; P378-F399 HydrophobicContact CB-CD1 4.3Å; P378-F399 HydrophobicContact CB-CD2 3.79Å; P378-F399 HydrophobicContact CB-CE1 4.21Å; P378-F399 HydrophobicContact CB-CE2 3.72Å; P378-F399 HydrophobicContact CB-CG 4.1Å; P378-F399 HydrophobicContact CB-CZ 3.93Å; P378-F399 HydrophobicContact CG-CB 4.12Å; P378-F399 HydrophobicContact CG-CD1 4.4Å; P378-F399 HydrophobicContact CG-CD2 3.54Å; P378-F399 HydrophobicContact CG-CE2 3.99Å; P378-F399 HydrophobicContact CG-CG 3.78Å; V393-F399 HydrophobicContact CG2-CE1 4.43Å; V393-F399 HydrophobicContact CG2-CZ 4.38Å; E396-F399 WeakPolarHBondContact O-CB 3.24Å; E396-F399 PolarHBondContact O-N 3.02Å; E396-F399 VanDerWaalsContact O-N 3.1Å; A397-F399 PolarHBondContact O-N 3.11Å; F399-P401 HydrophobicContact CD1-CG 4.07Å; F399-P401 HydrophobicContact CD2-CG 4.44Å; F399-P401 HydrophobicContact CE1-CB 4.28Å; F399-P401 HydrophobicContact CE1-CG 3.6Å; F399-P401 HydrophobicContact CE2-CB 3.97Å; F399-P401 HydrophobicContact CE2-CG 4Å; F399-P401 HydrophobicContact CG-CG 4.47Å; F399-P401 HydrophobicContact CZ-CB 3.72Å; F399-P401 HydrophobicContact CZ-CG 3.56Å; F399-I427 HydrophobicContact CD1-CG2 4.17Å; F399-I427 WeakPolarHBondContact O-CG2 3.3Å; F399-F437 HydrophobicContact CE1-CD1 4.23Å; F399-F437 HydrophobicContact CE1-CG 4.33Å
400E95.3Very high96.5Very high37 Ų3743.3 Ų43.317%0.17322%0.217CC..  trans-140.250.4-167.6-138.4-158.2145.800112.6G375 H376 D398 K423 V424G375-E400 PolarHBondContact O-N 3.28Å; H376-E400 PolarHBondContact CE1-O 3.47Å; D398-E400 PolarHBondContact O-N 3.43Å; E400-K423 VanDerWaalsContact CD-CE 3.47Å; E400-K423 HydrophobicContact CG-CB 3.82Å; E400-K423 HydrophobicContact CG-CD 4.23Å; E400-K423 HydrophobicContact CG-CG 3.98Å; E400-K423 WeakPolarHBondContact O-CE 3.19Å; E400-K423 PolarHBondContact O-NZ 3.25Å; E400-K423 VanDerWaalsContact OE1-CB 3.32Å; E400-K423 WeakPolarHBondContact OE1-CB 3.22Å; E400-K423 WeakPolarHBondContact OE1-CE 3.32Å; E400-K423 IonicContact OE1-NZ 3.4Å; E400-V424 HydrophobicContact CB-CG2 4.23Å; E400-V424 HydrophobicContact CG-CB 4.47Å; E400-V424 HydrophobicContact CG-CG2 3.6Å
401P97.1Very high96.5Very high2 Ų245.3 Ų45.31%0.01322%0.222CC..  trans-65.7168.6-178.730.9-38.8000113.1V335 F399 V403 I427V335-P401 HydrophobicContact CB-CB 4.46Å; V335-P401 HydrophobicContact CG1-CB 3.74Å; V335-P401 HydrophobicContact CG2-CB 4.01Å; V335-P401 HydrophobicContact CG2-CG 4.27Å; F399-P401 HydrophobicContact CD1-CG 4.07Å; F399-P401 HydrophobicContact CD2-CG 4.44Å; F399-P401 HydrophobicContact CE1-CB 4.28Å; F399-P401 HydrophobicContact CE1-CG 3.6Å; F399-P401 HydrophobicContact CE2-CB 3.97Å; F399-P401 HydrophobicContact CE2-CG 4Å; F399-P401 HydrophobicContact CG-CG 4.47Å; F399-P401 HydrophobicContact CZ-CB 3.72Å; F399-P401 HydrophobicContact CZ-CG 3.56Å; P401-V403 HydrophobicContact CB-CG1 4.04Å; P401-V403 HydrophobicContact CG-CG1 3.79Å; P401-I427 HydrophobicContact CG-CD1 4.08Å; P401-I427 HydrophobicContact CG-CG1 4.31Å; P401-I427 HydrophobicContact CG-CG2 4.19Å
402Y98.4Very high96.5Very high4 Ų444.9 Ų44.92%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-97128.6162-63.1-83.6000108.4D305 F308 V335 V336 A338 F367 K423 M445D305-Y402 HydrophobicContact CB-CE1 4.3Å; D305-Y402 PolarHBondContact OD2-OH 3.3Å; F308-Y402 HydrophobicContact CD2-CE1 4.27Å; F308-Y402 HydrophobicContact CE1-CD2 4.49Å; F308-Y402 AromaticContact CE1-CE2 3.79Å; F308-Y402 HydrophobicContact CE1-CE2 3.79Å; F308-Y402 AromaticContact CE2-CE1 3.98Å; F308-Y402 HydrophobicContact CE2-CE1 3.98Å; F308-Y402 AromaticContact CE2-CE2 3.92Å; F308-Y402 HydrophobicContact CE2-CE2 3.92Å; F308-Y402 AromaticContact CE2-CZ 3.32Å; F308-Y402 WeakPolarHBondContact CE2-OH 3.43Å; F308-Y402 HydrophobicContact CZ-CD2 4.48Å; F308-Y402 HydrophobicContact CZ-CE1 4.34Å; F308-Y402 AromaticContact CZ-CE2 3.42Å; F308-Y402 HydrophobicContact CZ-CE2 3.42Å; F308-Y402 VanDerWaalsContact CZ-CE2 3.42Å; F308-Y402 AromaticContact CZ-CZ 3.34Å; F308-Y402 WeakPolarHBondContact CZ-OH 3.38Å; V335-Y402 WeakPolarHBondContact CA-O 3.43Å; V336-Y402 PolarHBondContact N-O 3.41Å; A338-Y402 HydrophobicContact CB-CD2 3.7Å; A338-Y402 HydrophobicContact CB-CE2 3.79Å; F367-Y402 HydrophobicContact CD1-CE2 4.24Å; F367-Y402 HydrophobicContact CE1-CE2 4.18Å; Y402-K423 PolarHBondContact OH-NZ 2.85Å; Y402-M445 WeakPolarHBondContact CB-SD 3.47Å; Y402-M445 HydrophobicContact CD1-CE 3.86Å; Y402-M445 HydrophobicContact CD1-SD 4.29Å; Y402-M445 HydrophobicContact CD2-CE 4.16Å; Y402-M445 HydrophobicContact CD2-SD 3.79Å; Y402-M445 HydrophobicContact CE1-CE 4.37Å; Y402-M445 HydrophobicContact CG-CE 3.75Å; Y402-M445 HydrophobicContact CG-SD 3.57Å; Y402-M445 VanDerWaalsContact CG-SD 3.57Å
403V98.6Very high96.4Very high2 Ų240.1 Ų40.11%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-131.6144.7-167.3-65.50000112.5L303 A333 L334 V335 P401 V405 I427 L430L303-V403 HydrophobicContact CD1-CG2 4.35Å; L303-V403 PolarHBondContact N-O 2.78Å; A333-V403 HydrophobicContact CB-CB 4.26Å; A333-V403 HydrophobicContact CB-CG1 4.17Å; L334-V403 CarbonylContact O-C 3.59Å; L334-V403 VanDerWaalsContact O-CA 3.24Å; L334-V403 WeakPolarHBondContact O-CA 3.37Å; V335-V403 HydrophobicContact CG2-CG1 3.92Å; P401-V403 HydrophobicContact CB-CG1 4.04Å; P401-V403 HydrophobicContact CG-CG1 3.79Å; V403-V405 HydrophobicContact CB-CG1 4.27Å; V403-V405 HydrophobicContact CG2-CG1 3.87Å; V403-I427 HydrophobicContact CG1-CD1 4.42Å; V403-I427 HydrophobicContact CG2-CD1 4.04Å; V403-L430 HydrophobicContact CG2-CD1 4.31Å
404M98.6Very high96.3Very high0 Ų043.3 Ų43.30%021%0.21CC..EExtended strand (participates in β ladder)trans-93.4128.9158.8-173.2-156.987.800109.1V216 Y300 M301 F302 L318 V322 M327 L334V216-M404 HydrophobicContact CG1-CG 3.87Å; V216-M404 HydrophobicContact CG1-SD 4.14Å; V216-M404 HydrophobicContact CG2-SD 3.78Å; Y300-M404 HydrophobicContact CD1-CE 4.25Å; M301-M404 CarbonylContact O-C 3.51Å; M301-M404 VanDerWaalsContact O-CA 3.25Å; M301-M404 WeakPolarHBondContact O-CA 3.43Å; F302-M404 HydrophobicContact CD2-CB 4.31Å; L318-M404 HydrophobicContact CB-SD 3.87Å; L318-M404 HydrophobicContact CD1-SD 4.39Å; L318-M404 HydrophobicContact CD2-CB 4.32Å; L318-M404 HydrophobicContact CD2-SD 4Å; L318-M404 HydrophobicContact CG-SD 4.3Å; V322-M404 HydrophobicContact CG2-CE 3.69Å; V322-M404 HydrophobicContact CG2-SD 4.15Å; M327-M404 HydrophobicContact CE-CE 3.61Å; M327-M404 HydrophobicContact CG-CE 4.06Å; M327-M404 HydrophobicContact SD-CE 4.22Å; L334-M404 HydrophobicContact CB-CB 4.22Å; L334-M404 HydrophobicContact CD1-CE 3.35Å; L334-M404 HydrophobicContact CD1-SD 4.2Å; L334-M404 HydrophobicContact CG-CE 3.87Å; L334-M404 PolarHBondContact N-O 3.39Å; L334-M404 PolarHBondContact O-N 3.1Å
405V98.5Very high96.2Very high0 Ų037.2 Ų37.20%018%0.178CC..EExtended strand (participates in β ladder)trans-134.8166-178.4-68.20000110.5Y300 M301 L303 A333 V403 L430Y300-V405 WeakPolarHBondContact CA-O 3.43Å; M301-V405 HydrophobicContact CE-CG2 3.88Å; M301-V405 HydrophobicContact CG-CG2 3.95Å; M301-V405 PolarHBondContact N-O 3.11Å; M301-V405 PolarHBondContact O-N 3.33Å; L303-V405 HydrophobicContact CD1-CG2 3.81Å; L303-V405 HydrophobicContact CG-CG2 4.18Å; A333-V405 HydrophobicContact CB-CG1 3.91Å; V403-V405 HydrophobicContact CB-CG1 4.27Å; V403-V405 HydrophobicContact CG2-CG1 3.87Å; V405-L430 HydrophobicContact CG1-CD1 4.05Å
406K97.7Very high96.3Very high49 Ų4935.8 Ų35.821%0.21317%0.172CC..EExtended strand (participates in β ladder)trans-68.2151.9169.4-67-179.871.6170.60110.6N299 Y300 M301 M327 A328 D408 S409N299-K406 WeakPolarHBondContact O-CA 3.45Å; Y300-K406 HydrophobicContact CD1-CG 3.95Å; Y300-K406 HydrophobicContact CE1-CG 3.68Å; M301-K406 WeakPolarHBondContact CE-O 3.4Å; M327-K406 WeakPolarHBondContact O-CD 3.26Å; A328-K406 PolarHBondContact O-NZ 2.93Å; K406-D408 WeakPolarHBondContact CB-OD1 3.3Å; K406-D408 PolarHBondContact O-N 2.76Å; K406-S409 VanDerWaalsContact O-CB 3.27Å; K406-S409 WeakPolarHBondContact O-CB 3.38Å; K406-S409 PolarHBondContact O-N 3.19Å; K406-S409 VanDerWaalsContact O-N 3.08Å; K406-S409 PolarHBondContact O-OG 2.89Å
407R96.3Very high96.3Very high114 Ų11430.9 Ų30.943%0.4315%0.15SC..THydrogen-bonded Turntrans-57.3-30.9178.9-177.6-178.2173.6175.58.8113.3Q294 V296 N299 S409Q294-R407 PolarHBondContact O-NH2 2.99Å; V296-R407 WeakPolarHBondContact O-CD 3.31Å; V296-R407 PolarHBondContact O-NE 3.05Å; V296-R407 PolarHBondContact O-NH1 3.33Å; V296-R407 PolarHBondContact O-NH2 2.7Å; N299-R407 PolarHBondContact O-N 3.14Å; R407-S409 PolarHBondContact O-N 3.39Å
408D94.6Very high96.4Very high111 Ų11129.1 Ų29.159%0.59414%0.136SC*.THydrogen-bonded Turntrans-807.8179.164.1-13.6000114K406K406-D408 WeakPolarHBondContact CB-OD1 3.3Å; K406-D408 PolarHBondContact O-N 2.76Å
409S96.4Very high96.4Very high9 Ų931.4 Ų31.46%0.06314%0.144CC..SBendtrans-61.4153.5172.277.80000111.6M301 K406 R407M301-S409 WeakPolarHBondContact CE-OG 3.29Å; K406-S409 VanDerWaalsContact O-CB 3.27Å; K406-S409 WeakPolarHBondContact O-CB 3.38Å; K406-S409 PolarHBondContact O-N 3.19Å; K406-S409 VanDerWaalsContact O-N 3.08Å; K406-S409 PolarHBondContact O-OG 2.89Å; R407-S409 PolarHBondContact O-N 3.39Å
410P97Very high96.3Very high15 Ų1532.1 Ų32.110%0.09715%0.152CC..PPolyproline II helixtrans-55145.9176.623.9-36.1000112.7H426 E429 L430P410-H426 PolarHBondContact O-CD2 3.33Å; P410-H426 PolarHBondContact O-NE2 2.85Å; P410-E429 HydrophobicContact CB-CG 3.98Å; P410-E429 HydrophobicContact CG-CB 4.46Å; P410-E429 HydrophobicContact CG-CG 3.97Å; P410-L430 HydrophobicContact CG-CD2 3.71Å; P410-L430 HydrophobicContact CG-CG 4.46Å
411E97.4Very high96.3Very high90 Ų9031.8 Ų31.842%0.42115%0.149SC..PPolyproline II helixtrans-68.6160.2168.4-70.8-167170.100111.7N290 Q294N290-E411 PolarHBondContact ND2-OE2 2.7Å; Q294-E411 PolarHBondContact NE2-OE1 2.77Å
412Y98Very high96.2Very high9 Ų932.6 Ų32.64%0.03515%0.153CC..PPolyproline II helixtrans-71137.2172-70.4-100.6000111.1N286 R289 N290 M293 L303 R414 K423 H426N286-Y412 VanDerWaalsContact CG-CB 3.45Å; N286-Y412 WeakPolarHBondContact OD1-CD1 3.41Å; R289-Y412 HydrophobicContact CB-CD2 3.61Å; R289-Y412 HydrophobicContact CB-CE2 3.85Å; R289-Y412 HydrophobicContact CB-CG 4.17Å; R289-Y412 HydrophobicContact CG-CD2 4.38Å; R289-Y412 HydrophobicContact CG-CE2 4.28Å; N290-Y412 PolarHBondContact ND2-O 3.14Å; N290-Y412 WeakPolarHBondContact OD1-CB 3.5Å; N290-Y412 PolarHBondContact OD1-N 3.15Å; M293-Y412 HydrophobicContact CE-CD2 4.46Å; M293-Y412 HydrophobicContact CE-CE2 4.39Å; M293-Y412 HydrophobicContact SD-CD2 3.51Å; M293-Y412 VanDerWaalsContact SD-CD2 3.51Å; M293-Y412 HydrophobicContact SD-CE2 3.5Å; M293-Y412 WeakPolarHBondContact SD-CE2 3.5Å; L303-Y412 HydrophobicContact CD1-CE2 4.22Å; L303-Y412 WeakPolarHBondContact CD1-OH 3.44Å; Y412-R414 PolarHBondContact O-N 3.15Å; Y412-K423 HydrophobicContact CE1-CB 4.36Å; Y412-K423 HydrophobicContact CE1-CG 4.33Å; Y412-H426 HydrophobicContact CD1-CB 3.48Å; Y412-H426 VanDerWaalsContact CD1-CB 3.48Å; Y412-H426 AromaticContact CD1-CG 3.76Å; Y412-H426 AromaticContact CD2-CD2 3.99Å; Y412-H426 HydrophobicContact CE1-CB 3.45Å; Y412-H426 VanDerWaalsContact CE1-CB 3.45Å; Y412-H426 AromaticContact CE1-CG 3.53Å; Y412-H426 AromaticContact CE1-ND1 3.85Å; Y412-H426 HydrophobicContact CG-CB 4.21Å; Y412-H426 AromaticContact CG-CD2 3.98Å; Y412-H426 AromaticContact CZ-CG 3.72Å; Y412-H426 AromaticContact CZ-ND1 3.67Å
413D97.3Very high96Very high26 Ų2632.7 Ų32.714%0.13915%0.153CC..PPolyproline II helixtrans-69.5117.3-179.2-167.1-52.4000111.8N286 R415 F416 F476N286-D413 PolarHBondContact ND2-O 3.34Å; D413-R415 PolarHBondContact O-N 3.05Å; D413-R415 VanDerWaalsContact O-N 3.15Å; D413-R415 WeakPolarHBondContact OD1-CB 3.31Å; D413-R415 VanDerWaalsContact OD1-CG 3.24Å; D413-R415 WeakPolarHBondContact OD1-CG 3.31Å; D413-R415 IonicContact OD1-CZ 3.47Å; D413-R415 PolarHBondContact OD1-N 3.3Å; D413-R415 IonicContact OD1-NE 3.94Å; D413-R415 PolarHBondContact OD1-NE 3.32Å; D413-R415 IonicContact OD2-CZ 3.41Å; D413-R415 VanDerWaalsContact OD2-CZ 3.25Å; D413-R415 IonicContact OD2-NE 3.25Å; D413-R415 PolarHBondContact OD2-NE 2.9Å; D413-R415 IonicContact OD2-NH2 3.16Å; D413-R415 PolarHBondContact OD2-NH2 3.06Å; D413-F416 HydrophobicContact CB-CD2 4.18Å; D413-F416 HydrophobicContact CB-CE2 4.43Å; D413-F416 PolarHBondContact O-N 2.87Å; D413-F476 HydrophobicContact CB-CD2 4.24Å; D413-F476 HydrophobicContact CB-CE2 3.98Å; D413-F476 WeakPolarHBondContact OD2-CD2 3.5Å
414R95.8Very high95.9Very high85 Ų8532.7 Ų32.732%0.32115%0.154SC..THydrogen-bonded Turntrans-69-7.5-175.5-67.9178.559.9-177.31.1114.7R192 T194 Y412 F416R192-R414 HydrophobicContact CG-CB 4.25Å; R192-R414 VanDerWaalsContact O-CZ 3.26Å; R192-R414 PolarHBondContact O-NE 3.13Å; R192-R414 PolarHBondContact O-NH2 3.17Å; T194-R414 PolarHBondContact O-NH2 3.04Å; Y412-R414 PolarHBondContact O-N 3.15Å; R414-F416 PolarHBondContact O-N 2.89Å
415R95Very high95.8Very high18 Ų1832.8 Ų32.87%0.06815%0.154CC..THydrogen-bonded Turntrans-64.7-29.4172.2-70.1176.9-80.2-179.8-9.4112.4D413 V417 F476D413-R415 PolarHBondContact O-N 3.05Å; D413-R415 VanDerWaalsContact O-N 3.15Å; D413-R415 WeakPolarHBondContact OD1-CB 3.31Å; D413-R415 VanDerWaalsContact OD1-CG 3.24Å; D413-R415 WeakPolarHBondContact OD1-CG 3.31Å; D413-R415 IonicContact OD1-CZ 3.47Å; D413-R415 PolarHBondContact OD1-N 3.3Å; D413-R415 IonicContact OD1-NE 3.94Å; D413-R415 PolarHBondContact OD1-NE 3.32Å; D413-R415 IonicContact OD2-CZ 3.41Å; D413-R415 VanDerWaalsContact OD2-CZ 3.25Å; D413-R415 IonicContact OD2-NE 3.25Å; D413-R415 PolarHBondContact OD2-NE 2.9Å; D413-R415 IonicContact OD2-NH2 3.16Å; D413-R415 PolarHBondContact OD2-NH2 3.06Å; R415-V417 PolarHBondContact O-N 3Å; R415-F476 VanDerWaalsContact NH2-CD2 3.27Å
416F96.3Very high95.8Very high0 Ų032.8 Ų32.80%015%0.154CC..  trans-91.5100.5-179.7-58.3-70.9000110.5N286 D413 R414 W421 N422 A425 L469 L472 F476N286-F416 PolarHBondContact ND2-O 3.27Å; D413-F416 HydrophobicContact CB-CD2 4.18Å; D413-F416 HydrophobicContact CB-CE2 4.43Å; D413-F416 PolarHBondContact O-N 2.87Å; R414-F416 PolarHBondContact O-N 2.89Å; F416-W421 HydrophobicContact CD1-CB 3.68Å; F416-W421 HydrophobicContact CE1-CB 3.68Å; F416-W421 HydrophobicContact CE1-CE3 4.26Å; F416-W421 HydrophobicContact CE1-CG 4.41Å; F416-W421 HydrophobicContact CG-CB 4.32Å; F416-W421 HydrophobicContact CZ-CB 4.31Å; F416-W421 AromaticContact CZ-CE3 3.91Å; F416-W421 HydrophobicContact CZ-CE3 3.91Å; F416-N422 HydrophobicContact CB-CB 4.25Å; F416-A425 HydrophobicContact CD2-CB 3.76Å; F416-A425 HydrophobicContact CE2-CB 3.47Å; F416-A425 VanDerWaalsContact CE2-CB 3.47Å; F416-A425 HydrophobicContact CZ-CB 4.32Å; F416-L469 HydrophobicContact CD1-CD1 3.97Å; F416-L469 HydrophobicContact CE1-CD1 4.36Å; F416-L472 HydrophobicContact CE1-CB 4.02Å; F416-F476 HydrophobicContact CE2-CB 4.02Å; F416-F476 AromaticContact CE2-CD2 3.8Å; F416-F476 HydrophobicContact CE2-CD2 3.8Å; F416-F476 AromaticContact CE2-CG 3.9Å; F416-F476 HydrophobicContact CE2-CG 3.9Å; F416-F476 HydrophobicContact CZ-CB 3.77Å; F416-F476 HydrophobicContact CZ-CD2 4.41Å; F416-F476 HydrophobicContact CZ-CG 4.09Å
417V94.8Very high95.8Very high6 Ų630.5 Ų30.54%0.03614%0.144CC..  trans-109.3154.9173.8-61.40000110.9F188 E191 F282 R415 Y465F188-V417 HydrophobicContact CD1-CG2 3.62Å; F188-V417 HydrophobicContact CE1-CG2 4.04Å; F188-V417 HydrophobicContact CG-CG2 4.37Å; E191-V417 HydrophobicContact CB-CG1 4.03Å; E191-V417 HydrophobicContact CB-CG2 4.3Å; F282-V417 HydrophobicContact CB-CB 3.95Å; F282-V417 HydrophobicContact CB-CG2 3.77Å; F282-V417 HydrophobicContact CD1-CG2 4.49Å; F282-V417 HydrophobicContact CD2-CG2 4.01Å; F282-V417 HydrophobicContact CG-CG2 3.83Å; R415-V417 PolarHBondContact O-N 3Å; V417-Y465 PolarHBondContact O-OH 3.13Å
418G93.6Very high95.8Very high6 Ų625.2 Ų25.26%0.06213%0.125CC..SBendtrans66.4-133.9-176.100000113Y283Y283-G418 WeakPolarHBondContact O-CA 3.5Å; Y283-G418 PolarHBondContact O-N 3.11Å
419F92.9Very high96Very high77 Ų7720.6 Ų20.634%0.33810%0.099SC..SBendtrans-99.4131.1-173.4-177.3-90.2000113.2D455 I456 F459 Y465F419-D455 HydrophobicContact CB-CB 4.07Å; F419-I456 HydrophobicContact CD1-CG1 4.38Å; F419-I456 HydrophobicContact CD2-CB 3.88Å; F419-I456 HydrophobicContact CD2-CD1 4.33Å; F419-I456 HydrophobicContact CD2-CG1 3.99Å; F419-I456 HydrophobicContact CE1-CG1 4.27Å; F419-I456 HydrophobicContact CE2-CB 4.22Å; F419-I456 HydrophobicContact CE2-CD1 3.78Å; F419-I456 HydrophobicContact CE2-CG1 3.87Å; F419-I456 HydrophobicContact CG-CB 4.16Å; F419-I456 HydrophobicContact CG-CG1 4.25Å; F419-I456 HydrophobicContact CZ-CD1 3.98Å; F419-I456 HydrophobicContact CZ-CG1 4.02Å; F419-F459 HydrophobicContact CB-CB 4.38Å; F419-F459 HydrophobicContact CD1-CB 3.92Å; F419-F459 AromaticContact CD1-CD1 3.87Å; F419-F459 HydrophobicContact CD1-CD1 3.87Å; F419-F459 HydrophobicContact CD1-CD2 4.13Å; F419-F459 HydrophobicContact CD1-CE1 4.45Å; F419-F459 AromaticContact CD1-CG 3.7Å; F419-F459 HydrophobicContact CD1-CG 3.7Å; F419-F459 AromaticContact CE1-CD1 3.95Å; F419-F459 HydrophobicContact CE1-CD1 3.95Å; F419-F459 HydrophobicContact CE1-CE1 4.2Å; F419-F459 HydrophobicContact CE1-CG 4.24Å; F419-F459 HydrophobicContact CG-CB 4.49Å; F419-Y465 PolarHBondContact N-OH 3.48Å; F419-Y465 WeakPolarHBondContact O-CE1 2.99Å; F419-Y465 PolarHBondContact O-OH 3.19Å
420G93.3Very high96Very high15 Ų1520.1 Ų20.116%0.15510%0.096CC..SBendtrans103.4147.3169.500000113.5N422G420-N422 PolarHBondContact O-N 2.83Å
421W94.6Very high96Very high30 Ų3020.2 Ų20.211%0.11410%0.096CC..SBendtrans55.6-0.5177.1-94.967000117.8F416 V424 A425 M428 L469 K473 F476 Q477F416-W421 HydrophobicContact CD1-CB 3.68Å; F416-W421 HydrophobicContact CE1-CB 3.68Å; F416-W421 HydrophobicContact CE1-CE3 4.26Å; F416-W421 HydrophobicContact CE1-CG 4.41Å; F416-W421 HydrophobicContact CG-CB 4.32Å; F416-W421 HydrophobicContact CZ-CB 4.31Å; F416-W421 AromaticContact CZ-CE3 3.91Å; F416-W421 HydrophobicContact CZ-CE3 3.91Å; W421-V424 HydrophobicContact CD2-CG1 4.41Å; W421-V424 HydrophobicContact CH2-CG1 4.37Å; W421-V424 HydrophobicContact CZ2-CG1 4.13Å; W421-A425 HydrophobicContact CE3-CB 4.37Å; W421-A425 WeakPolarHBondContact O-CB 3.36Å; W421-A425 PolarHBondContact O-N 2.78Å; W421-M428 HydrophobicContact CH2-CE 3.69Å; W421-M428 HydrophobicContact CZ3-CE 4.17Å; W421-M428 HydrophobicContact CZ3-SD 4.49Å; W421-L469 HydrophobicContact CB-CD1 4.05Å; W421-K473 HydrophobicContact CD2-CB 3.93Å; W421-K473 HydrophobicContact CD2-CD 4.05Å; W421-K473 HydrophobicContact CD2-CG 3.88Å; W421-K473 VanDerWaalsContact CE2-CD 3.4Å; W421-K473 HydrophobicContact CE3-CB 3.94Å; W421-K473 HydrophobicContact CE3-CD 4.46Å; W421-K473 HydrophobicContact CE3-CG 3.84Å; W421-K473 HydrophobicContact CH2-CD 3.79Å; W421-K473 HydrophobicContact CH2-CG 3.52Å; W421-K473 HydrophobicContact CZ2-CD 3.31Å; W421-K473 HydrophobicContact CZ2-CG 3.59Å; W421-K473 HydrophobicContact CZ3-CB 4.22Å; W421-K473 HydrophobicContact CZ3-CD 4.34Å; W421-K473 HydrophobicContact CZ3-CG 3.66Å; W421-F476 HydrophobicContact CZ3-CD1 4.18Å; W421-Q477 HydrophobicContact CH2-CG 4.36Å; W421-Q477 HydrophobicContact CZ3-CG 4.46Å
422N94.4Very high95.9Very high19 Ų1916.1 Ų16.110%0.1028%0.077CC..Hα-helixtrans-63.9-59-177.258.962.3000113.3V285 N286 R289 F416 G420V285-N422 HydrophobicContact CG1-CB 3.75Å; N286-N422 WeakPolarHBondContact OD1-CB 3.43Å; R289-N422 PolarHBondContact NH1-OD1 2.79Å; F416-N422 HydrophobicContact CB-CB 4.25Å; G420-N422 PolarHBondContact O-N 2.83Å
423K95Very high95.7Very high5 Ų517.6 Ų17.62%0.0228%0.084CC..Hα-helixtrans-80.9-32.1178.5-172177.871.8179.50111.7E400 Y402 Y412 A425 H426 I427E400-K423 VanDerWaalsContact CD-CE 3.47Å; E400-K423 HydrophobicContact CG-CB 3.82Å; E400-K423 HydrophobicContact CG-CD 4.23Å; E400-K423 HydrophobicContact CG-CG 3.98Å; E400-K423 WeakPolarHBondContact O-CE 3.19Å; E400-K423 PolarHBondContact O-NZ 3.25Å; E400-K423 VanDerWaalsContact OE1-CB 3.32Å; E400-K423 WeakPolarHBondContact OE1-CB 3.22Å; E400-K423 WeakPolarHBondContact OE1-CE 3.32Å; E400-K423 IonicContact OE1-NZ 3.4Å; Y402-K423 PolarHBondContact OH-NZ 2.85Å; Y412-K423 HydrophobicContact CE1-CB 4.36Å; Y412-K423 HydrophobicContact CE1-CG 4.33Å; K423-A425 VanDerWaalsContact C-N 3.3Å; K423-A425 PolarHBondContact O-N 3.33Å; K423-H426 WeakPolarHBondContact O-CB 3.42Å; K423-H426 PolarHBondContact O-N 2.86Å; K423-H426 VanDerWaalsContact O-N 3.1Å; K423-I427 HydrophobicContact CG-CG1 4.28Å; K423-I427 WeakPolarHBondContact O-CG1 3.29Å; K423-I427 PolarHBondContact O-N 3.39Å
424V96.6Very high95.6Very high3 Ų323.6 Ų23.62%0.01811%0.111CC..Hα-helixtrans-54.7-46.6173.91790000111E400 W421 H426 I427 M428E400-V424 HydrophobicContact CB-CG2 4.23Å; E400-V424 HydrophobicContact CG-CB 4.47Å; E400-V424 HydrophobicContact CG-CG2 3.6Å; W421-V424 HydrophobicContact CD2-CG1 4.41Å; W421-V424 HydrophobicContact CH2-CG1 4.37Å; W421-V424 HydrophobicContact CZ2-CG1 4.13Å; V424-H426 VanDerWaalsContact C-N 3.34Å; V424-H426 PolarHBondContact O-N 3.2Å; V424-I427 PolarHBondContact O-N 2.99Å; V424-M428 WeakPolarHBondContact O-CB 3.34Å; V424-M428 PolarHBondContact O-N 2.8Å
425A97.3Very high95.7Very high1 Ų120.1 Ų20.11%0.00810%0.098CC..Hα-helixtrans-61.7-40.3177.800000112.4F416 W421 K423 M428 E429 F476F416-A425 HydrophobicContact CD2-CB 3.76Å; F416-A425 HydrophobicContact CE2-CB 3.47Å; F416-A425 VanDerWaalsContact CE2-CB 3.47Å; F416-A425 HydrophobicContact CZ-CB 4.32Å; W421-A425 HydrophobicContact CE3-CB 4.37Å; W421-A425 WeakPolarHBondContact O-CB 3.36Å; W421-A425 PolarHBondContact O-N 2.78Å; K423-A425 VanDerWaalsContact C-N 3.3Å; K423-A425 PolarHBondContact O-N 3.33Å; A425-M428 PolarHBondContact O-N 2.72Å; A425-E429 PolarHBondContact O-N 3.39Å; A425-F476 HydrophobicContact CB-CD1 4.3Å; A425-F476 HydrophobicContact CB-CD2 4.36Å; A425-F476 HydrophobicContact CB-CE1 3.92Å; A425-F476 HydrophobicContact CB-CE2 4.03Å; A425-F476 HydrophobicContact CB-CZ 3.8Å; A425-F476 WeakPolarHBondContact O-CZ 3.47Å
426H97.9Very high95.9Very high1 Ų122.7 Ų22.71%0.00511%0.111CC..Hα-helixtrans-64.5-46.6177.4-178.6-101.6000112.4P410 Y412 K423 V424 M428 E429 L430P410-H426 PolarHBondContact O-CD2 3.33Å; P410-H426 PolarHBondContact O-NE2 2.85Å; Y412-H426 HydrophobicContact CD1-CB 3.48Å; Y412-H426 VanDerWaalsContact CD1-CB 3.48Å; Y412-H426 AromaticContact CD1-CG 3.76Å; Y412-H426 AromaticContact CD2-CD2 3.99Å; Y412-H426 HydrophobicContact CE1-CB 3.45Å; Y412-H426 VanDerWaalsContact CE1-CB 3.45Å; Y412-H426 AromaticContact CE1-CG 3.53Å; Y412-H426 AromaticContact CE1-ND1 3.85Å; Y412-H426 HydrophobicContact CG-CB 4.21Å; Y412-H426 AromaticContact CG-CD2 3.98Å; Y412-H426 AromaticContact CZ-CG 3.72Å; Y412-H426 AromaticContact CZ-ND1 3.67Å; K423-H426 WeakPolarHBondContact O-CB 3.42Å; K423-H426 PolarHBondContact O-N 2.86Å; K423-H426 VanDerWaalsContact O-N 3.1Å; V424-H426 VanDerWaalsContact C-N 3.34Å; V424-H426 PolarHBondContact O-N 3.2Å; H426-M428 VanDerWaalsContact C-N 3.31Å; H426-M428 PolarHBondContact O-N 3.42Å; H426-E429 PolarHBondContact O-N 3.16Å; H426-E429 VanDerWaalsContact O-N 3.12Å; H426-L430 PolarHBondContact O-N 3.33Å
427I97.8Very high96Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-64.7-37.6177.1-59.1-57.3000111F399 P401 V403 K423 V424 E429 L430 D431 F437F399-I427 HydrophobicContact CD1-CG2 4.17Å; F399-I427 WeakPolarHBondContact O-CG2 3.3Å; P401-I427 HydrophobicContact CG-CD1 4.08Å; P401-I427 HydrophobicContact CG-CG1 4.31Å; P401-I427 HydrophobicContact CG-CG2 4.19Å; V403-I427 HydrophobicContact CG1-CD1 4.42Å; V403-I427 HydrophobicContact CG2-CD1 4.04Å; K423-I427 HydrophobicContact CG-CG1 4.28Å; K423-I427 WeakPolarHBondContact O-CG1 3.29Å; K423-I427 PolarHBondContact O-N 3.39Å; V424-I427 PolarHBondContact O-N 2.99Å; I427-E429 VanDerWaalsContact C-N 3.33Å; I427-E429 PolarHBondContact O-N 2.92Å; I427-L430 HydrophobicContact CD1-CD1 4.03Å; I427-L430 PolarHBondContact O-N 3.31Å; I427-D431 PolarHBondContact O-N 3.11Å; I427-F437 HydrophobicContact CG2-CE1 3.83Å; I427-F437 HydrophobicContact CG2-CZ 3.93Å
428M97Very high96.2Very high4 Ų423 Ų232%0.0211%0.113CC..Hα-helixtrans-61.3-39.8172.3-178.1179.5-69.400111.8W395 W421 V424 A425 H426 D431 A432 F476 Q477 Y491W395-M428 HydrophobicContact CH2-CE 4.03Å; W395-M428 HydrophobicContact CZ2-CB 4.43Å; W395-M428 HydrophobicContact CZ2-CE 3.68Å; W395-M428 HydrophobicContact CZ2-CG 4.33Å; W421-M428 HydrophobicContact CH2-CE 3.69Å; W421-M428 HydrophobicContact CZ3-CE 4.17Å; W421-M428 HydrophobicContact CZ3-SD 4.49Å; V424-M428 WeakPolarHBondContact O-CB 3.34Å; V424-M428 PolarHBondContact O-N 2.8Å; A425-M428 PolarHBondContact O-N 2.72Å; H426-M428 VanDerWaalsContact C-N 3.31Å; H426-M428 PolarHBondContact O-N 3.42Å; M428-D431 PolarHBondContact O-N 3.43Å; M428-A432 WeakPolarHBondContact O-CB 3.45Å; M428-A432 PolarHBondContact O-N 3.12Å; M428-F476 HydrophobicContact CB-CE1 4.36Å; M428-F476 HydrophobicContact CG-CE1 4.26Å; M428-F476 HydrophobicContact SD-CD1 4.14Å; M428-F476 HydrophobicContact SD-CE1 3.74Å; M428-Q477 HydrophobicContact SD-CG 4.2Å; M428-Y491 HydrophobicContact CE-CD1 3.97Å; M428-Y491 HydrophobicContact CE-CG 4.2Å; M428-Y491 HydrophobicContact CG-CD1 3.89Å; M428-Y491 HydrophobicContact CG-CD2 4.05Å; M428-Y491 HydrophobicContact CG-CE1 3.75Å; M428-Y491 HydrophobicContact CG-CE2 3.91Å; M428-Y491 HydrophobicContact CG-CG 4.05Å; M428-Y491 PolarHBondContact O-OH 2.91Å; M428-Y491 HydrophobicContact SD-CD1 4.02Å; M428-Y491 HydrophobicContact SD-CD2 4.06Å; M428-Y491 HydrophobicContact SD-CE1 4.48Å; M428-Y491 HydrophobicContact SD-CG 3.8Å
429E96.9Very high96.4Very high13 Ų1322.7 Ų22.76%0.06111%0.11CC..Hα-helixtrans-69.1-36.5175.9-173.5163-170.300112.9P410 A425 H426 I427 A432 Q433 F476 M480 R483 F484P410-E429 HydrophobicContact CB-CG 3.98Å; P410-E429 HydrophobicContact CG-CB 4.46Å; P410-E429 HydrophobicContact CG-CG 3.97Å; A425-E429 PolarHBondContact O-N 3.39Å; H426-E429 PolarHBondContact O-N 3.16Å; H426-E429 VanDerWaalsContact O-N 3.12Å; I427-E429 VanDerWaalsContact C-N 3.33Å; I427-E429 PolarHBondContact O-N 2.92Å; E429-A432 PolarHBondContact O-N 3.06Å; E429-Q433 WeakPolarHBondContact O-CB 3.25Å; E429-Q433 WeakPolarHBondContact O-CG 3.47Å; E429-Q433 PolarHBondContact O-N 3.2Å; E429-F476 HydrophobicContact CB-CZ 4.48Å; E429-M480 HydrophobicContact CB-CE 3.88Å; E429-M480 HydrophobicContact CB-SD 4.33Å; E429-M480 HydrophobicContact CG-CE 3.94Å; E429-M480 HydrophobicContact CG-SD 4.29Å; E429-R483 IonicContact OE1-CZ 2.65Å; E429-R483 IonicContact OE1-NH1 2.96Å; E429-R483 PolarHBondContact OE1-NH1 2.59Å; E429-R483 IonicContact OE1-NH2 2.95Å; E429-R483 PolarHBondContact OE1-NH2 2.67Å; E429-R483 VanDerWaalsContact OE1-NH2 3.11Å; E429-R483 IonicContact OE2-NH1 3.11Å; E429-F484 HydrophobicContact CG-CE2 4.38Å; E429-F484 HydrophobicContact CG-CZ 4.44Å
430L97.1Very high96.7Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-58.9-47.5171-66.6178.8000111.5A333 V403 V405 P410 H426 I427 A432 Q433 E434 Y435 F437A333-L430 HydrophobicContact CB-CD1 4.42Å; V403-L430 HydrophobicContact CG2-CD1 4.31Å; V405-L430 HydrophobicContact CG1-CD1 4.05Å; P410-L430 HydrophobicContact CG-CD2 3.71Å; P410-L430 HydrophobicContact CG-CG 4.46Å; H426-L430 PolarHBondContact O-N 3.33Å; I427-L430 HydrophobicContact CD1-CD1 4.03Å; I427-L430 PolarHBondContact O-N 3.31Å; L430-A432 PolarHBondContact O-N 3.05Å; L430-Q433 CarbonylContact O-C 3.47Å; L430-Q433 PolarHBondContact O-N 3.03Å; L430-E434 PolarHBondContact O-N 3.04Å; L430-Y435 HydrophobicContact CB-CD2 4.34Å; L430-Y435 HydrophobicContact CB-CG 4.22Å; L430-Y435 HydrophobicContact CD2-CD1 4.28Å; L430-Y435 HydrophobicContact CD2-CD2 4.13Å; L430-Y435 HydrophobicContact CD2-CE1 4.22Å; L430-Y435 HydrophobicContact CD2-CE2 4.05Å; L430-Y435 HydrophobicContact CD2-CG 4.24Å; L430-Y435 WeakPolarHBondContact O-CB 3.3Å; L430-Y435 VanDerWaalsContact O-CD2 3.27Å; L430-Y435 WeakPolarHBondContact O-CD2 3.43Å; L430-Y435 PolarHBondContact O-N 3.36Å; L430-Y435 VanDerWaalsContact O-N 3.07Å; L430-F437 HydrophobicContact CB-CZ 4.16Å
431D96.6Very high96.9Very high17 Ų1718.4 Ų18.49%0.0919%0.087CC..Hα-helixtrans-62.5-40.7177.6178.156.2000112W395 I427 M428 Q433 E434 F437 K490 Y491W395-D431 HydrophobicContact CB-CB 4.02Å; W395-D431 VanDerWaalsContact CB-OD1 3.31Å; W395-D431 WeakPolarHBondContact CB-OD1 3.49Å; W395-D431 HydrophobicContact CD2-CB 4.43Å; W395-D431 HydrophobicContact CG-CB 3.78Å; W395-D431 VanDerWaalsContact CG-CG 3.44Å; I427-D431 PolarHBondContact O-N 3.11Å; M428-D431 PolarHBondContact O-N 3.43Å; D431-Q433 PolarHBondContact O-N 2.75Å; D431-E434 WeakPolarHBondContact O-CA 3.48Å; D431-E434 PolarHBondContact O-N 2.88Å; D431-F437 HydrophobicContact CB-CE2 3.72Å; D431-F437 HydrophobicContact CB-CZ 3.94Å; D431-K490 IonicContact OD1-NZ 3.39Å; D431-K490 PolarHBondContact OD1-NZ 3.25Å; D431-K490 WeakPolarHBondContact OD2-CE 3.46Å; D431-K490 IonicContact OD2-NZ 2.66Å; D431-K490 PolarHBondContact OD2-NZ 3.12Å; D431-Y491 VanDerWaalsContact CG-OH 3.27Å; D431-Y491 WeakPolarHBondContact OD2-CE1 3.34Å; D431-Y491 PolarHBondContact OD2-OH 3.31Å
432A95.4Very high97Very high3 Ų320.2 Ų20.23%0.02510%0.099CC..Hα-helixtrans-66.5-25.3176.800000113.1M428 E429 L430 M480 F484 Y491M428-A432 WeakPolarHBondContact O-CB 3.45Å; M428-A432 PolarHBondContact O-N 3.12Å; E429-A432 PolarHBondContact O-N 3.06Å; L430-A432 PolarHBondContact O-N 3.05Å; A432-M480 HydrophobicContact CB-CE 3.17Å; A432-F484 HydrophobicContact CB-CB 4.37Å; A432-F484 HydrophobicContact CB-CD2 3.83Å; A432-F484 HydrophobicContact CB-CE2 4.28Å; A432-F484 HydrophobicContact CB-CG 4.03Å; A432-Y491 WeakPolarHBondContact CA-OH 3.49Å; A432-Y491 HydrophobicContact CB-CE2 3.86Å; A432-Y491 PolarHBondContact N-OH 3.23Å
433Q95.1Very high97.2Very high40 Ų4019.3 Ų19.319%0.1879%0.094CC..THydrogen-bonded Turntrans-88.313.5172.3-68.4-172.231.700113.4K331 E429 L430 D431 Y435 F484K331-Q433 WeakPolarHBondContact CD-O 3.43Å; K331-Q433 PolarHBondContact NZ-O 3.46Å; E429-Q433 WeakPolarHBondContact O-CB 3.25Å; E429-Q433 WeakPolarHBondContact O-CG 3.47Å; E429-Q433 PolarHBondContact O-N 3.2Å; L430-Q433 CarbonylContact O-C 3.47Å; L430-Q433 PolarHBondContact O-N 3.03Å; D431-Q433 PolarHBondContact O-N 2.75Å; Q433-Y435 VanDerWaalsContact C-N 3.34Å; Q433-Y435 HydrophobicContact CB-CD2 3.95Å; Q433-Y435 HydrophobicContact CB-CE2 4.05Å; Q433-Y435 PolarHBondContact O-N 3.03Å; Q433-F484 HydrophobicContact CG-CD1 4.49Å; Q433-F484 HydrophobicContact CG-CE1 3.61Å; Q433-F484 HydrophobicContact CG-CZ 3.74Å
434E95.2Very high97.4Very high152 Ų15219.2 Ų19.271%0.719%0.094SC*.THydrogen-bonded Turntrans6432.3175.4-52.6-17812700114L430 D431L430-E434 PolarHBondContact O-N 3.04Å; D431-E434 WeakPolarHBondContact O-CA 3.48Å; D431-E434 PolarHBondContact O-N 2.88Å
435Y97.4Very high97.5Very high12 Ų1219.1 Ų19.15%0.0479%0.093CC..  trans-68134.3170.8-82.4-111.6000111.3K331 A333 L430 Q433K331-Y435 HydrophobicContact CB-CD1 4.24Å; K331-Y435 HydrophobicContact CB-CD2 4.23Å; K331-Y435 HydrophobicContact CB-CE1 4.37Å; K331-Y435 HydrophobicContact CB-CE2 4.38Å; K331-Y435 HydrophobicContact CB-CG 4.17Å; K331-Y435 HydrophobicContact CD-CD2 4.23Å; K331-Y435 HydrophobicContact CD-CE2 4.02Å; K331-Y435 HydrophobicContact CG-CE2 4.37Å; K331-Y435 WeakPolarHBondContact O-CA 3.37Å; A333-Y435 HydrophobicContact CB-CD1 4.31Å; L430-Y435 HydrophobicContact CB-CD2 4.34Å; L430-Y435 HydrophobicContact CB-CG 4.22Å; L430-Y435 HydrophobicContact CD2-CD1 4.28Å; L430-Y435 HydrophobicContact CD2-CD2 4.13Å; L430-Y435 HydrophobicContact CD2-CE1 4.22Å; L430-Y435 HydrophobicContact CD2-CE2 4.05Å; L430-Y435 HydrophobicContact CD2-CG 4.24Å; L430-Y435 WeakPolarHBondContact O-CB 3.3Å; L430-Y435 VanDerWaalsContact O-CD2 3.27Å; L430-Y435 WeakPolarHBondContact O-CD2 3.43Å; L430-Y435 PolarHBondContact O-N 3.36Å; L430-Y435 VanDerWaalsContact O-N 3.07Å; Q433-Y435 VanDerWaalsContact C-N 3.34Å; Q433-Y435 HydrophobicContact CB-CD2 3.95Å; Q433-Y435 HydrophobicContact CB-CE2 4.05Å; Q433-Y435 PolarHBondContact O-N 3.03Å
436E98Very high97.5Very high73 Ų7319 Ų1934%0.3419%0.092SC..EExtended strand (participates in β ladder)trans-81.9124.7169.6-53.3-172140.500110.6K331 K332 A333 K392 V438K331-E436 PolarHBondContact O-N 3.4Å; K332-E436 CarbonylContact C-O 3.56Å; K332-E436 WeakPolarHBondContact CA-O 3.35Å; K332-E436 WeakPolarHBondContact CE-OE2 3.49Å; K332-E436 HydrophobicContact CG-CB 4.25Å; A333-E436 PolarHBondContact N-O 3.49Å; K392-E436 WeakPolarHBondContact CE-OE2 3.48Å; K392-E436 IonicContact NZ-OE1 3.75Å; K392-E436 PolarHBondContact NZ-OE1 3.36Å; K392-E436 IonicContact NZ-OE2 3.39Å; K392-E436 PolarHBondContact NZ-OE2 3.25Å; E436-V438 HydrophobicContact CB-CG2 4.47Å
437F98.6Very high97.5Very high5 Ų519.7 Ų19.72%0.02210%0.095CC..EExtended strand (participates in β ladder)trans-85.5115.8173.5-61.2-84000110.3A333 V335 K392 V393 W395 F399 I427 L430 D431A333-F437 HydrophobicContact CB-CD1 3.86Å; A333-F437 HydrophobicContact CB-CE1 4.01Å; V335-F437 HydrophobicContact CG2-CB 4.29Å; V335-F437 HydrophobicContact CG2-CD1 4.35Å; K392-F437 WeakPolarHBondContact CA-O 3.32Å; V393-F437 HydrophobicContact CG2-CB 3.74Å; V393-F437 PolarHBondContact N-O 2.95Å; W395-F437 HydrophobicContact CB-CD2 4.36Å; W395-F437 HydrophobicContact CB-CE2 4Å; F399-F437 HydrophobicContact CE1-CD1 4.23Å; F399-F437 HydrophobicContact CE1-CG 4.33Å; I427-F437 HydrophobicContact CG2-CE1 3.83Å; I427-F437 HydrophobicContact CG2-CZ 3.93Å; L430-F437 HydrophobicContact CB-CZ 4.16Å; D431-F437 HydrophobicContact CB-CE2 3.72Å; D431-F437 HydrophobicContact CB-CZ 3.94Å
438V98.8Very high97.4Very high7 Ų720.9 Ų20.94%0.04210%0.101CC..EExtended strand (participates in β ladder)trans-119113.6-177-176.60000109.8L325 K332 A333 L334 V335 P390 Y391 K392 E436L325-V438 HydrophobicContact CD1-CG1 4.38Å; K332-V438 HydrophobicContact CD-CG2 4.14Å; K332-V438 HydrophobicContact CG-CG2 4.46Å; A333-V438 PolarHBondContact O-N 3.24Å; L334-V438 CarbonylContact C-O 3.5Å; L334-V438 WeakPolarHBondContact CA-O 3.49Å; L334-V438 HydrophobicContact CD2-CB 3.93Å; L334-V438 HydrophobicContact CD2-CG1 4.4Å; V335-V438 PolarHBondContact N-O 3.07Å; P390-V438 HydrophobicContact CB-CG1 3.69Å; Y391-V438 CarbonylContact O-C 3.56Å; K392-V438 HydrophobicContact CG-CG2 4.29Å; E436-V438 HydrophobicContact CB-CG2 4.47Å
439V98.9Very high97.2Very high0 Ų022.2 Ų22.20%011%0.11CC..EExtended strand (participates in β ladder)trans-79.7129.2178-174.90000110.5V335 P337 T379 P390 Y391 V393V335-V439 HydrophobicContact CB-CB 4.48Å; V335-V439 HydrophobicContact CB-CG2 4.04Å; V335-V439 HydrophobicContact CG1-CG2 4.17Å; P337-V439 HydrophobicContact CG-CG1 3.64Å; T379-V439 HydrophobicContact CG2-CG1 4.09Å; T379-V439 HydrophobicContact CG2-CG2 4.28Å; P390-V439 WeakPolarHBondContact CA-O 3.4Å; Y391-V439 HydrophobicContact CD1-CB 4.36Å; Y391-V439 HydrophobicContact CD2-CB 4.13Å; Y391-V439 HydrophobicContact CD2-CG2 4.34Å; Y391-V439 HydrophobicContact CE1-CB 3.91Å; Y391-V439 HydrophobicContact CE1-CG1 3.96Å; Y391-V439 HydrophobicContact CE2-CB 3.66Å; Y391-V439 HydrophobicContact CE2-CG1 4.2Å; Y391-V439 HydrophobicContact CE2-CG2 3.75Å; Y391-V439 HydrophobicContact CG-CB 4.47Å; Y391-V439 PolarHBondContact N-O 2.96Å; Y391-V439 PolarHBondContact O-N 3.12Å; Y391-V439 WeakPolarHBondContact OH-CG1 3.2Å; V393-V439 HydrophobicContact CB-CG2 4.45Å; V393-V439 HydrophobicContact CG1-CG2 3.62Å; V393-V439 HydrophobicContact CG2-CG2 3.94Å
440L98.8Very high97Very high0 Ų024.2 Ų24.20%012%0.12CC..  trans-85.3125178.5-65.7176.7000111.3Y317 L318 L325 L334 V335 V336 W384 P390 N442 A443Y317-L440 HydrophobicContact CD1-CD1 4.47Å; Y317-L440 HydrophobicContact CE1-CB 3.95Å; Y317-L440 HydrophobicContact CE1-CD1 3.92Å; Y317-L440 HydrophobicContact CE1-CD2 4.4Å; Y317-L440 HydrophobicContact CE1-CG 4.32Å; L318-L440 HydrophobicContact CD2-CD1 3.42Å; L318-L440 VanDerWaalsContact CD2-CD1 3.42Å; L325-L440 HydrophobicContact CD1-CD2 3.94Å; L334-L440 HydrophobicContact CB-CD1 4Å; L334-L440 HydrophobicContact CB-CD2 4.49Å; L334-L440 HydrophobicContact CB-CG 4.2Å; L334-L440 HydrophobicContact CD1-CD1 4.37Å; L334-L440 HydrophobicContact CD1-CD2 4.32Å; V335-L440 PolarHBondContact O-N 3.33Å; V336-L440 HydrophobicContact CG2-CD1 4.39Å; W384-L440 PolarHBondContact NE1-O 3.19Å; P390-L440 HydrophobicContact CG-CD2 4.44Å; L440-N442 VanDerWaalsContact C-N 3.34Å; L440-N442 PolarHBondContact O-N 2.79Å; L440-A443 HydrophobicContact CB-CB 3.81Å; L440-A443 HydrophobicContact CD1-CB 4.17Å
441P97.9Very high96.6Very high1 Ų127.2 Ų27.21%0.00614%0.144CC..THydrogen-bonded Turntrans-74.1-24.7-168.830.8-38.2000113.1Y317 K352 W384 A387 P390Y317-P441 WeakPolarHBondContact OH-CD 3.11Å; K352-P441 WeakPolarHBondContact CD-O 3.45Å; K352-P441 WeakPolarHBondContact CE-O 3.39Å; K352-P441 PolarHBondContact NZ-O 3.46Å; W384-P441 PolarHBondContact NE1-O 3.15Å; A387-P441 HydrophobicContact CB-CB 4.03Å; A387-P441 WeakPolarHBondContact O-CB 3.47Å; P390-P441 HydrophobicContact CG-CG 4.41Å
442N96.8Very high96.1Very high69 Ų6930.9 Ų30.937%0.36917%0.169SC..THydrogen-bonded Turntrans-118.46.2-174.2-64.5-42.1000113.2M311 Y317 L440M311-N442 WeakPolarHBondContact CE-O 3.45Å; Y317-N442 HydrophobicContact CE2-CB 4.18Å; L440-N442 VanDerWaalsContact C-N 3.34Å; L440-N442 PolarHBondContact O-N 2.79Å
443A98.2Very high95.7Very high0 Ų033.1 Ų33.10%018%0.184CC..  trans-94.1146.1172.300000110.7L314 Y317 V336 P337 W384 L440L314-A443 HydrophobicContact CD1-CB 3.55Å; Y317-A443 HydrophobicContact CD1-CB 3.93Å; Y317-A443 HydrophobicContact CE1-CB 3.69Å; V336-A443 HydrophobicContact CG1-CB 4.1Å; V336-A443 HydrophobicContact CG2-CB 4.21Å; P337-A443 WeakPolarHBondContact CD-O 3.1Å; W384-A443 VanDerWaalsContact CZ2-O 3.32Å; W384-A443 WeakPolarHBondContact CZ2-O 3.5Å; L440-A443 HydrophobicContact CB-CB 3.81Å; L440-A443 HydrophobicContact CD1-CB 4.17Å
444Y98.6Very high95.3Very high3 Ų339.8 Ų39.81%0.01221%0.213CC..  trans-156.3162.616759.7-91.1000111.2M311 P337 F348 P349 S351 L355 W384 I446M311-Y444 HydrophobicContact CB-CD1 4.1Å; M311-Y444 HydrophobicContact CB-CD2 3.82Å; M311-Y444 HydrophobicContact CB-CE1 3.78Å; M311-Y444 HydrophobicContact CB-CE2 3.49Å; M311-Y444 VanDerWaalsContact CB-CE2 3.49Å; M311-Y444 HydrophobicContact CB-CG 4.12Å; M311-Y444 VanDerWaalsContact CB-CZ 3.47Å; M311-Y444 WeakPolarHBondContact CB-O 3.45Å; M311-Y444 HydrophobicContact CG-CD1 4.41Å; M311-Y444 HydrophobicContact CG-CE1 4.32Å; M311-Y444 PolarHBondContact N-O 3.45Å; M311-Y444 HydrophobicContact SD-CD1 3.64Å; M311-Y444 HydrophobicContact SD-CE1 3.58Å; M311-Y444 VanDerWaalsContact SD-CE1 3.58Å; M311-Y444 HydrophobicContact SD-CG 4.35Å; P337-Y444 WeakPolarHBondContact O-CA 3.49Å; F348-Y444 HydrophobicContact CE1-CE2 4.05Å; F348-Y444 HydrophobicContact CZ-CE2 4.4Å; P349-Y444 HydrophobicContact CG-CE2 3.93Å; P349-Y444 PolarHBondContact O-OH 3Å; S351-Y444 PolarHBondContact N-OH 3.14Å; L355-Y444 HydrophobicContact CD1-CD1 4.06Å; L355-Y444 HydrophobicContact CD1-CD2 3.22Å; L355-Y444 HydrophobicContact CD1-CE1 4.33Å; L355-Y444 HydrophobicContact CD1-CE2 3.55Å; L355-Y444 HydrophobicContact CD1-CG 3.51Å; W384-Y444 HydrophobicContact CH2-CD1 4.44Å; Y444-I446 HydrophobicContact CD2-CG1 4.31Å; Y444-I446 HydrophobicContact CE2-CD1 4.43Å
445M98.4Very high94.8Very high0 Ų033.2 Ų33.20%018%0.183CC..EExtended strand (participates in β ladder)trans-139.8152.2171.262-162.5-6700109.8F302 S304 F308 L309 V336 P337 A338 F339 Y402F302-M445 HydrophobicContact CE1-CE 4.39Å; F302-M445 HydrophobicContact CZ-CE 3.97Å; F302-M445 HydrophobicContact CZ-SD 3.68Å; S304-M445 VanDerWaalsContact OG-CE 3.22Å; S304-M445 WeakPolarHBondContact OG-CE 3.31Å; F308-M445 HydrophobicContact CB-CE 3.28Å; F308-M445 HydrophobicContact CD1-CB 4.29Å; F308-M445 HydrophobicContact CD1-CE 3.54Å; F308-M445 HydrophobicContact CD1-CG 3.77Å; F308-M445 HydrophobicContact CD1-SD 4.29Å; F308-M445 HydrophobicContact CD2-CE 4.19Å; F308-M445 HydrophobicContact CE1-CE 4.36Å; F308-M445 HydrophobicContact CE1-CG 4.35Å; F308-M445 HydrophobicContact CG-CE 3.41Å; F308-M445 VanDerWaalsContact CG-CE 3.41Å; L309-M445 WeakPolarHBondContact O-CA 3.33Å; V336-M445 HydrophobicContact CB-SD 4.33Å; V336-M445 HydrophobicContact CG1-CB 4.33Å; V336-M445 HydrophobicContact CG1-CG 4.1Å; V336-M445 HydrophobicContact CG1-SD 3.94Å; P337-M445 PolarHBondContact O-N 3.35Å; P337-M445 VanDerWaalsContact O-N 3.08Å; A338-M445 HydrophobicContact CB-CG 4.13Å; F339-M445 PolarHBondContact N-O 2.62Å; Y402-M445 WeakPolarHBondContact CB-SD 3.47Å; Y402-M445 HydrophobicContact CD1-CE 3.86Å; Y402-M445 HydrophobicContact CD1-SD 4.29Å; Y402-M445 HydrophobicContact CD2-CE 4.16Å; Y402-M445 HydrophobicContact CD2-SD 3.79Å; Y402-M445 HydrophobicContact CE1-CE 4.37Å; Y402-M445 HydrophobicContact CG-CE 3.75Å; Y402-M445 HydrophobicContact CG-SD 3.57Å; Y402-M445 VanDerWaalsContact CG-SD 3.57Å
446I98.4Very high94.4Very high0 Ų033.7 Ų33.70%019%0.186CC..EExtended strand (participates in β ladder)trans-122.6123.5-176.2-55.1179.9000109.6F308 L309 F339 L346 F348 P349 L355 L364 Y444 M448F308-I446 WeakPolarHBondContact CA-O 3.37Å; L309-I446 PolarHBondContact N-O 2.8Å; L309-I446 PolarHBondContact O-N 3.26Å; F339-I446 HydrophobicContact CB-CG1 4.42Å; F339-I446 CarbonylContact O-C 3.5Å; F339-I446 WeakPolarHBondContact O-CA 3.38Å; L346-I446 HydrophobicContact CD2-CD1 3.96Å; L346-I446 HydrophobicContact CD2-CG2 3.91Å; F348-I446 HydrophobicContact CD2-CD1 4.25Å; F348-I446 HydrophobicContact CE1-CD1 4.42Å; F348-I446 HydrophobicContact CE2-CB 3.94Å; F348-I446 HydrophobicContact CE2-CD1 3.78Å; F348-I446 HydrophobicContact CE2-CG1 4.04Å; F348-I446 HydrophobicContact CZ-CB 4.38Å; F348-I446 HydrophobicContact CZ-CD1 3.88Å; F348-I446 HydrophobicContact CZ-CG1 4.07Å; P349-I446 VanDerWaalsContact CD-CD1 3.49Å; P349-I446 HydrophobicContact CG-CD1 3.54Å; L355-I446 HydrophobicContact CD1-CD1 4.36Å; L364-I446 HydrophobicContact CD1-CD1 3.95Å; L364-I446 HydrophobicContact CD2-CD1 4.32Å; L364-I446 HydrophobicContact CD2-CG2 4.09Å; Y444-I446 HydrophobicContact CD2-CG1 4.31Å; Y444-I446 HydrophobicContact CE2-CD1 4.43Å; I446-M448 HydrophobicContact CG2-SD 4.42Å
447H97.6Very high94Very high14 Ų1433.9 Ų33.97%0.06519%0.192CC..EExtended strand (participates in β ladder)trans-70.9128.8170-175.1-103.6000110.3D307 F308 F339 E340 T341 F367 H450D307-H447 WeakPolarHBondContact O-CA 3.49Å; F308-H447 HydrophobicContact CD1-CB 3.9Å; F308-H447 AromaticContact CD2-CD2 3.9Å; F308-H447 HydrophobicContact CE1-CB 3.47Å; F308-H447 VanDerWaalsContact CE1-CB 3.47Å; F308-H447 HydrophobicContact CE2-CB 4.21Å; F308-H447 AromaticContact CE2-CD2 3.44Å; F308-H447 VanDerWaalsContact CE2-CD2 3.44Å; F308-H447 WeakPolarHBondContact CE2-CD2 3.05Å; F308-H447 HydrophobicContact CG-CB 4.47Å; F308-H447 HydrophobicContact CZ-CB 3.64Å; F308-H447 AromaticContact CZ-CD2 3.69Å; F308-H447 AromaticContact CZ-CG 3.96Å; F339-H447 WeakPolarHBondContact O-CB 3.36Å; F339-H447 PolarHBondContact O-N 3.42Å; E340-H447 HydrophobicContact CB-CB 4.05Å; T341-H447 PolarHBondContact N-O 2.73Å; F367-H447 HydrophobicContact CD2-CB 3.71Å; F367-H447 AromaticContact CD2-CG 4Å; F367-H447 HydrophobicContact CE2-CB 3.75Å; F367-H447 AromaticContact CE2-CD2 3.82Å; F367-H447 AromaticContact CE2-CG 3.52Å; F367-H447 AromaticContact CE2-ND1 3.93Å; H447-H450 AromaticContact CE1-CD2 3.34Å; H447-H450 PolarHBondContact CE1-CD2 3.33Å; H447-H450 AromaticContact CE1-NE2 3.24Å; H447-H450 PolarHBondContact CE1-NE2 3.31Å; H447-H450 AromaticContact NE2-CD2 3.15Å; H447-H450 PolarHBondContact NE2-CD2 2.84Å; H447-H450 AromaticContact NE2-NE2 2.93Å; H447-H450 PolarHBondContact NE2-NE2 3.33Å
448M95.9Very high93.5Very high25 Ų2537.2 Ų37.212%0.12321%0.207CC..PPolyproline II helixtrans-95.9141177.3-60.5-55.8-65.800110.7M229 D307 L309 T341 L346 I446 H450M229-M448 HydrophobicContact CE-CB 4Å; M229-M448 HydrophobicContact CE-CG 3.8Å; M229-M448 HydrophobicContact SD-CB 4.22Å; M229-M448 HydrophobicContact SD-CG 4.48Å; D307-M448 PolarHBondContact O-N 3.16Å; L309-M448 HydrophobicContact CD1-CG 3.81Å; L309-M448 HydrophobicContact CD1-SD 4Å; L309-M448 HydrophobicContact CG-CG 3.9Å; T341-M448 HydrophobicContact CG2-CE 4.4Å; T341-M448 HydrophobicContact CG2-SD 4.26Å; L346-M448 HydrophobicContact CB-CE 4.32Å; L346-M448 HydrophobicContact CD2-SD 4.39Å; I446-M448 HydrophobicContact CG2-SD 4.42Å; M448-H450 PolarHBondContact O-CD2 3.38Å; M448-H450 PolarHBondContact O-N 2.97Å
449P92.9Very high93.1Very high33 Ų3339.3 Ų39.321%0.21422%0.215CC..PPolyproline II helixtrans-58.8137.7178.9-19.926.2000112.5T341 R343 Y344T341-P449 HydrophobicContact CG2-CG 4.21Å; T341-P449 WeakPolarHBondContact O-CG 3.48Å; R343-P449 WeakPolarHBondContact O-CG 3.4Å; Y344-P449 HydrophobicContact CD1-CB 4.09Å; Y344-P449 HydrophobicContact CE1-CB 3.94Å
450H92.1Very high92.7Very high55 Ų5546.9 Ų46.926%0.25524%0.244SC..  trans-149.1162.1178.26469.5000111.6R226 D307 H447 M448R226-H450 VanDerWaalsContact CZ-CB 3.47Å; R226-H450 PolarHBondContact NH2-ND1 2.78Å; D307-H450 IonicContact OD1-CD2 3.81Å; D307-H450 IonicContact OD1-CG 2.7Å; D307-H450 IonicContact OD2-CD2 2.83Å; D307-H450 PolarHBondContact OD2-CD2 3.34Å; D307-H450 VanDerWaalsContact OD2-CD2 3.25Å; D307-H450 IonicContact OD2-CE1 2.67Å; D307-H450 IonicContact OD2-CG 3.38Å; D307-H450 IonicContact OD2-NE2 3.95Å; D307-H450 PolarHBondContact OD2-NE2 3.32Å; H447-H450 AromaticContact CE1-CD2 3.34Å; H447-H450 PolarHBondContact CE1-CD2 3.33Å; H447-H450 AromaticContact CE1-NE2 3.24Å; H447-H450 PolarHBondContact CE1-NE2 3.31Å; H447-H450 AromaticContact NE2-CD2 3.15Å; H447-H450 PolarHBondContact NE2-CD2 2.84Å; H447-H450 AromaticContact NE2-NE2 2.93Å; H447-H450 PolarHBondContact NE2-NE2 3.33Å; M448-H450 PolarHBondContact O-CD2 3.38Å; M448-H450 PolarHBondContact O-N 2.97Å
451A88.3Confident92.4Very high62 Ų6251.3 Ų51.351%0.51228%0.275SS..PPolyproline II helixtrans-65.1145.8175.200000111.2R226R226-A451 PolarHBondContact NH2-O 3.02Å
452P86.3Confident92.2Very high94 Ų9454.9 Ų54.961%0.6129%0.294SS*.PPolyproline II helixtrans-59.3144.5173-22.333.3000112I456P452-I456 HydrophobicContact CB-CG2 3.85Å
453S86.9Confident92Very high51 Ų5159 Ų5936%0.35731%0.309SS..PPolyproline II helixtrans-74165.3175.466.20000112.4D455 I456 T457S453-D455 VanDerWaalsContact C-N 3.34Å; S453-I456 VanDerWaalsContact O-CG2 3.22Å; S453-I456 WeakPolarHBondContact O-CG2 3.29Å; S453-I456 PolarHBondContact OG-N 3.02Å; S453-T457 PolarHBondContact O-OG1 3.13Å
454F86.7Confident91.8Very high180 Ų18062.7 Ų62.779%0.78933%0.326SS*.Hα-helixtrans-64.7-38.6172.2-70.4-73.5000112I456 T457 K458F454-I456 PolarHBondContact O-N 2.94Å; F454-T457 WeakPolarHBondContact O-CB 3.35Å; F454-T457 PolarHBondContact O-N 3.15Å; F454-T457 VanDerWaalsContact O-N 3.16Å; F454-K458 PolarHBondContact O-N 3.48Å
455D86.4Confident91.6Very high14 Ų1462.8 Ų62.88%0.07533%0.326CS..Hα-helixtrans-69.6-33.5-177.3-72.4-50.9000113.8Y283 F419 S453 T457 K458 F459Y283-D455 WeakPolarHBondContact CB-OD2 3.3Å; Y283-D455 PolarHBondContact N-OD2 3.29Å; F419-D455 HydrophobicContact CB-CB 4.07Å; S453-D455 VanDerWaalsContact C-N 3.34Å; D455-T457 VanDerWaalsContact C-N 3.25Å; D455-T457 PolarHBondContact O-N 3.03Å; D455-K458 PolarHBondContact O-N 2.84Å; D455-K458 IonicContact OD1-NZ 3.92Å; D455-F459 WeakPolarHBondContact O-CB 3.32Å; D455-F459 PolarHBondContact O-N 3.3Å
456I87.9Confident91.5Very high22 Ų2267.4 Ų67.411%0.11334%0.344CS..Hα-helixtrans-65.9-34.6172.8-166.3175.4000110.9F419 P452 S453 F454 R460F419-I456 HydrophobicContact CD1-CG1 4.38Å; F419-I456 HydrophobicContact CD2-CB 3.88Å; F419-I456 HydrophobicContact CD2-CD1 4.33Å; F419-I456 HydrophobicContact CD2-CG1 3.99Å; F419-I456 HydrophobicContact CE1-CG1 4.27Å; F419-I456 HydrophobicContact CE2-CB 4.22Å; F419-I456 HydrophobicContact CE2-CD1 3.78Å; F419-I456 HydrophobicContact CE2-CG1 3.87Å; F419-I456 HydrophobicContact CG-CB 4.16Å; F419-I456 HydrophobicContact CG-CG1 4.25Å; F419-I456 HydrophobicContact CZ-CD1 3.98Å; F419-I456 HydrophobicContact CZ-CG1 4.02Å; P452-I456 HydrophobicContact CB-CG2 3.85Å; S453-I456 VanDerWaalsContact O-CG2 3.22Å; S453-I456 WeakPolarHBondContact O-CG2 3.29Å; S453-I456 PolarHBondContact OG-N 3.02Å; F454-I456 PolarHBondContact O-N 2.94Å; I456-R460 VanDerWaalsContact O-CG 3.28Å; I456-R460 WeakPolarHBondContact O-CG 3.36Å; I456-R460 PolarHBondContact O-N 2.82Å; I456-R460 VanDerWaalsContact O-N 3.09Å
457T88.8Confident91.4Very high77 Ų7770.4 Ų70.447%0.47236%0.362SS..Hα-helixtrans-66.5-45.8174-57.40000110.6S453 F454 D455 F459 R460 S461S453-T457 PolarHBondContact O-OG1 3.13Å; F454-T457 WeakPolarHBondContact O-CB 3.35Å; F454-T457 PolarHBondContact O-N 3.15Å; F454-T457 VanDerWaalsContact O-N 3.16Å; D455-T457 VanDerWaalsContact C-N 3.25Å; D455-T457 PolarHBondContact O-N 3.03Å; T457-F459 PolarHBondContact O-N 2.83Å; T457-R460 PolarHBondContact O-N 3.14Å; T457-S461 PolarHBondContact O-N 2.89Å; T457-S461 PolarHBondContact O-OG 3.09Å; T457-S461 VanDerWaalsContact O-OG 3.05Å
458K88.8Confident91.3Very high74 Ų7469.9 Ų69.932%0.32236%0.36SS..Hα-helixtrans-57.9-46.3173.9-70.4-177.8-176.4176.10111.9Q281 F454 D455 R460 S461 N462Q281-K458 PolarHBondContact O-NZ 3.16Å; F454-K458 PolarHBondContact O-N 3.48Å; D455-K458 PolarHBondContact O-N 2.84Å; D455-K458 IonicContact OD1-NZ 3.92Å; K458-R460 VanDerWaalsContact C-N 3.3Å; K458-R460 PolarHBondContact O-N 3.1Å; K458-S461 PolarHBondContact O-N 3.24Å; K458-S461 PolarHBondContact O-OG 3.28Å; K458-N462 WeakPolarHBondContact O-CB 3.35Å; K458-N462 PolarHBondContact O-N 3.34Å
459F90.6Very high91.2Very high52 Ų5269.3 Ų69.323%0.22836%0.357CS..Hα-helixtrans-58.3-41.7177.1170.2-95000112.2F419 D455 T457 Y465 R466 L469F419-F459 HydrophobicContact CB-CB 4.38Å; F419-F459 HydrophobicContact CD1-CB 3.92Å; F419-F459 AromaticContact CD1-CD1 3.87Å; F419-F459 HydrophobicContact CD1-CD1 3.87Å; F419-F459 HydrophobicContact CD1-CD2 4.13Å; F419-F459 HydrophobicContact CD1-CE1 4.45Å; F419-F459 AromaticContact CD1-CG 3.7Å; F419-F459 HydrophobicContact CD1-CG 3.7Å; F419-F459 AromaticContact CE1-CD1 3.95Å; F419-F459 HydrophobicContact CE1-CD1 3.95Å; F419-F459 HydrophobicContact CE1-CE1 4.2Å; F419-F459 HydrophobicContact CE1-CG 4.24Å; F419-F459 HydrophobicContact CG-CB 4.49Å; D455-F459 WeakPolarHBondContact O-CB 3.32Å; D455-F459 PolarHBondContact O-N 3.3Å; T457-F459 PolarHBondContact O-N 2.83Å; F459-Y465 HydrophobicContact CB-CD1 4.05Å; F459-Y465 HydrophobicContact CB-CE1 4.01Å; F459-Y465 AromaticContact CD2-CD1 3.58Å; F459-Y465 HydrophobicContact CD2-CD1 3.58Å; F459-Y465 AromaticContact CD2-CE1 3.63Å; F459-Y465 HydrophobicContact CD2-CE1 3.63Å; F459-Y465 HydrophobicContact CG-CD1 4.29Å; F459-Y465 HydrophobicContact CG-CE1 4.31Å; F459-R466 HydrophobicContact CD2-CG 3.97Å; F459-R466 HydrophobicContact CE2-CG 3.7Å; F459-R466 HydrophobicContact CZ-CG 4.13Å; F459-R466 WeakPolarHBondContact O-CG 3.38Å; F459-R466 PolarHBondContact O-NH1 2.95Å; F459-L469 HydrophobicContact CD2-CD2 4.22Å; F459-L469 HydrophobicContact CE2-CD2 3.78Å
460R90.5Very high91.3Very high158 Ų15873.3 Ų73.360%0.59637%0.371SS*.Hα-helixtrans-71.9-36.8179.9-73172.2178.1176.9-1.2112.8I456 T457 K458 R466I456-R460 VanDerWaalsContact O-CG 3.28Å; I456-R460 WeakPolarHBondContact O-CG 3.36Å; I456-R460 PolarHBondContact O-N 2.82Å; I456-R460 VanDerWaalsContact O-N 3.09Å; T457-R460 PolarHBondContact O-N 3.14Å; K458-R460 VanDerWaalsContact C-N 3.3Å; K458-R460 PolarHBondContact O-N 3.1Å; R460-R466 VanDerWaalsContact C-NH1 3.26Å; R460-R466 PolarHBondContact O-NH1 3.36Å
461S92.3Very high91.5Very high94 Ų9472.8 Ų72.866%0.65737%0.372SS*.Hα-helixtrans-89.4-29.3-176.862.60000114T457 K458T457-S461 PolarHBondContact O-N 2.89Å; T457-S461 PolarHBondContact O-OG 3.09Å; T457-S461 VanDerWaalsContact O-OG 3.05Å; K458-S461 PolarHBondContact O-N 3.24Å; K458-S461 PolarHBondContact O-OG 3.28Å
462N93.1Very high91.8Very high75 Ų7570 Ų7040%0.40135%0.348SS..  trans-100.3112.1-171.7-170.6-20.4000112.1K458 Q464 Y465K458-N462 WeakPolarHBondContact O-CB 3.35Å; K458-N462 PolarHBondContact O-N 3.34Å; N462-Q464 WeakPolarHBondContact OD1-CA 3.18Å; N462-Q464 VanDerWaalsContact OD1-CB 3.26Å; N462-Q464 WeakPolarHBondContact OD1-CB 3.49Å; N462-Q464 PolarHBondContact OD1-N 2.83Å; N462-Y465 WeakPolarHBondContact O-CB 2.94Å; N462-Y465 PolarHBondContact O-N 3.01Å; N462-Y465 PolarHBondContact OD1-N 3.42Å
463K94.1Very high92.2Very high157 Ų15767.2 Ų67.268%0.68333%0.327SS*.Hα-helixtrans-62.7-40.6175.6-176-177.6175.3-173.60112Y465 R466 V467K463-Y465 VanDerWaalsContact C-N 3.32Å; K463-Y465 PolarHBondContact O-N 3.28Å; K463-R466 PolarHBondContact O-N 3.1Å; K463-R466 VanDerWaalsContact O-N 3.16Å; K463-V467 WeakPolarHBondContact O-CG2 2.95Å; K463-V467 PolarHBondContact O-N 2.98Å; K463-V467 VanDerWaalsContact O-N 3.08Å
464Q93.8Very high92.6Very high77 Ų7768 Ų6836%0.3632%0.324SS..Hα-helixtrans-62.6-40.5-179.3-172.15725.800111.4P184 N462 R466 V467 C468P184-Q464 PolarHBondContact O-NE2 3.15Å; N462-Q464 WeakPolarHBondContact OD1-CA 3.18Å; N462-Q464 VanDerWaalsContact OD1-CB 3.26Å; N462-Q464 WeakPolarHBondContact OD1-CB 3.49Å; N462-Q464 PolarHBondContact OD1-N 2.83Å; Q464-R466 VanDerWaalsContact C-N 3.29Å; Q464-R466 PolarHBondContact O-N 3.46Å; Q464-V467 PolarHBondContact O-N 3.09Å; Q464-C468 PolarHBondContact NE2-SG 3.37Å; Q464-C468 VanDerWaalsContact NE2-SG 3.4Å; Q464-C468 PolarHBondContact O-N 3.14Å; Q464-C468 PolarHBondContact O-SG 3Å
465Y94.6Very high92.9Very high4 Ų461.6 Ų61.62%0.01630%0.297CS..Hα-helixtrans-53.5-47.4173.6-170.9-68.4000111.3F188 F282 V417 F419 F459 N462 K463 C468 L469F188-Y465 HydrophobicContact CE1-CE1 4.39Å; F188-Y465 HydrophobicContact CE1-CE2 4.1Å; F188-Y465 AromaticContact CE1-CZ 3.95Å; F188-Y465 HydrophobicContact CE2-CD2 4.03Å; F188-Y465 HydrophobicContact CE2-CE2 4.27Å; F188-Y465 HydrophobicContact CE2-CG 4.32Å; F188-Y465 HydrophobicContact CZ-CD1 4.01Å; F188-Y465 AromaticContact CZ-CD2 3.53Å; F188-Y465 HydrophobicContact CZ-CD2 3.53Å; F188-Y465 AromaticContact CZ-CE1 3.9Å; F188-Y465 HydrophobicContact CZ-CE1 3.9Å; F188-Y465 AromaticContact CZ-CE2 3.41Å; F188-Y465 HydrophobicContact CZ-CE2 3.41Å; F188-Y465 VanDerWaalsContact CZ-CE2 3.41Å; F188-Y465 AromaticContact CZ-CG 3.81Å; F188-Y465 HydrophobicContact CZ-CG 3.81Å; F188-Y465 AromaticContact CZ-CZ 3.57Å; F282-Y465 AromaticContact CD1-CE2 3.92Å; F282-Y465 HydrophobicContact CD1-CE2 3.92Å; F282-Y465 AromaticContact CE1-CD2 3.84Å; F282-Y465 HydrophobicContact CE1-CD2 3.84Å; F282-Y465 AromaticContact CE1-CE2 3.54Å; F282-Y465 HydrophobicContact CE1-CE2 3.54Å; V417-Y465 PolarHBondContact O-OH 3.13Å; F419-Y465 PolarHBondContact N-OH 3.48Å; F419-Y465 WeakPolarHBondContact O-CE1 2.99Å; F419-Y465 PolarHBondContact O-OH 3.19Å; F459-Y465 HydrophobicContact CB-CD1 4.05Å; F459-Y465 HydrophobicContact CB-CE1 4.01Å; F459-Y465 AromaticContact CD2-CD1 3.58Å; F459-Y465 HydrophobicContact CD2-CD1 3.58Å; F459-Y465 AromaticContact CD2-CE1 3.63Å; F459-Y465 HydrophobicContact CD2-CE1 3.63Å; F459-Y465 HydrophobicContact CG-CD1 4.29Å; F459-Y465 HydrophobicContact CG-CE1 4.31Å; N462-Y465 WeakPolarHBondContact O-CB 2.94Å; N462-Y465 PolarHBondContact O-N 3.01Å; N462-Y465 PolarHBondContact OD1-N 3.42Å; K463-Y465 VanDerWaalsContact C-N 3.32Å; K463-Y465 PolarHBondContact O-N 3.28Å; Y465-C468 PolarHBondContact O-N 3.24Å; Y465-L469 WeakPolarHBondContact O-CB 3.33Å; Y465-L469 PolarHBondContact O-N 2.97Å
466R95.2Very high93.3Very high97 Ų9761 Ų6137%0.36629%0.294SS..Hα-helixtrans-67.4-38.1-179-65.3-173.4-71-98.57.6112.7F459 R460 K463 Q464 K470F459-R466 HydrophobicContact CD2-CG 3.97Å; F459-R466 HydrophobicContact CE2-CG 3.7Å; F459-R466 HydrophobicContact CZ-CG 4.13Å; F459-R466 WeakPolarHBondContact O-CG 3.38Å; F459-R466 PolarHBondContact O-NH1 2.95Å; R460-R466 VanDerWaalsContact C-NH1 3.26Å; R460-R466 PolarHBondContact O-NH1 3.36Å; K463-R466 PolarHBondContact O-N 3.1Å; K463-R466 VanDerWaalsContact O-N 3.16Å; Q464-R466 VanDerWaalsContact C-N 3.29Å; Q464-R466 PolarHBondContact O-N 3.46Å; R466-K470 PolarHBondContact O-N 3.45Å; R466-K470 VanDerWaalsContact O-N 3.11Å
467V95.8Very high93.6Very high64 Ų6460.5 Ų60.539%0.38829%0.291SS..Hα-helixtrans-61.8-49.3174.2172.70000109.7K463 Q464 L469 K470 T471K463-V467 WeakPolarHBondContact O-CG2 2.95Å; K463-V467 PolarHBondContact O-N 2.98Å; K463-V467 VanDerWaalsContact O-N 3.08Å; Q464-V467 PolarHBondContact O-N 3.09Å; V467-L469 PolarHBondContact O-N 3.2Å; V467-K470 WeakPolarHBondContact O-CB 3.48Å; V467-K470 PolarHBondContact O-N 3.45Å; V467-K470 VanDerWaalsContact O-N 3.14Å; V467-T471 PolarHBondContact O-N 3.26Å; V467-T471 PolarHBondContact O-OG1 3.3Å
468C95.6Very high93.7Very high2 Ų260.7 Ų60.71%0.01429%0.287CS..Hα-helixtrans-63.2-41.2178.9-68.90000113.5P184 C185 F188 Q464 Y465 K470 T471 L472P184-C468 PolarHBondContact O-SG 2.85Å; C185-C468 WeakPolarHBondContact CA-SG 3.39Å; C185-C468 HydrophobicContact CB-CB 3.77Å; C185-C468 WeakPolarHBondContact CB-SG 3.39Å; C185-C468 WeakPolarHBondContact SG-CA 3.3Å; C185-C468 WeakPolarHBondContact SG-CB 3.2Å; C185-C468 CovalentContact SG-SG 2.05Å; C185-C468 PolarHBondContact SG-SG 3.26Å; F188-C468 HydrophobicContact CD2-CB 3.91Å; F188-C468 HydrophobicContact CE2-CB 3.87Å; F188-C468 HydrophobicContact CZ-CB 4.46Å; Q464-C468 PolarHBondContact NE2-SG 3.37Å; Q464-C468 VanDerWaalsContact NE2-SG 3.4Å; Q464-C468 PolarHBondContact O-N 3.14Å; Q464-C468 PolarHBondContact O-SG 3Å; Y465-C468 PolarHBondContact O-N 3.24Å; C468-K470 VanDerWaalsContact C-N 3.26Å; C468-K470 PolarHBondContact O-N 3.26Å; C468-T471 PolarHBondContact O-N 2.82Å; C468-L472 WeakPolarHBondContact O-CB 3.33Å; C468-L472 VanDerWaalsContact O-CG 3.23Å; C468-L472 WeakPolarHBondContact O-CG 3.28Å; C468-L472 PolarHBondContact O-N 3.42Å
469L95.4Very high93.9Very high14 Ų1460.1 Ų60.17%0.07329%0.287CS..Hα-helixtrans-59.5-40.3175.1-17166.2000111.6F416 W421 F459 Y465 V467 K473F416-L469 HydrophobicContact CD1-CD1 3.97Å; F416-L469 HydrophobicContact CE1-CD1 4.36Å; W421-L469 HydrophobicContact CB-CD1 4.05Å; F459-L469 HydrophobicContact CD2-CD2 4.22Å; F459-L469 HydrophobicContact CE2-CD2 3.78Å; Y465-L469 WeakPolarHBondContact O-CB 3.33Å; Y465-L469 PolarHBondContact O-N 2.97Å; V467-L469 PolarHBondContact O-N 3.2Å; L469-K473 VanDerWaalsContact O-CB 3.32Å; L469-K473 WeakPolarHBondContact O-CB 3.41Å; L469-K473 PolarHBondContact O-N 2.97Å
470K95.1Very high94Very high116 Ų11657.8 Ų57.850%0.50428%0.277SS..Hα-helixtrans-64.8-48175.7-175.8177.6173.9179.90111.4R466 V467 C468 L472 K473 E474R466-K470 PolarHBondContact O-N 3.45Å; R466-K470 VanDerWaalsContact O-N 3.11Å; V467-K470 WeakPolarHBondContact O-CB 3.48Å; V467-K470 PolarHBondContact O-N 3.45Å; V467-K470 VanDerWaalsContact O-N 3.14Å; C468-K470 VanDerWaalsContact C-N 3.26Å; C468-K470 PolarHBondContact O-N 3.26Å; K470-L472 PolarHBondContact O-N 3.16Å; K470-K473 WeakPolarHBondContact O-CB 3.4Å; K470-K473 PolarHBondContact O-N 3.14Å; K470-E474 WeakPolarHBondContact CE-OE1 3.45Å; K470-E474 IonicContact NZ-OE1 3.42Å; K470-E474 WeakPolarHBondContact O-CG 3.48Å; K470-E474 PolarHBondContact O-N 3.25Å
471T95.3Very high94Very high45 Ų4551.4 Ų51.428%0.27626%0.257SS..Hα-helixtrans-57.6-47.4176.6-54.90000111.7V467 C468 K473 E474 E475V467-T471 PolarHBondContact O-N 3.26Å; V467-T471 PolarHBondContact O-OG1 3.3Å; C468-T471 PolarHBondContact O-N 2.82Å; T471-K473 VanDerWaalsContact C-N 3.32Å; T471-K473 PolarHBondContact O-N 2.93Å; T471-E474 PolarHBondContact O-N 3.16Å; T471-E475 WeakPolarHBondContact O-CG 3.37Å; T471-E475 PolarHBondContact O-N 3.33Å
472L95.1Very high93.9Very high3 Ų356.3 Ų56.32%0.01626%0.261CS..Hα-helixtrans-65.2-35.2179.4-67.7171.3000112.4F188 F416 C468 K470 F476F188-L472 HydrophobicContact CB-CD1 3.82Å; F188-L472 HydrophobicContact CD1-CD1 3.64Å; F188-L472 HydrophobicContact CE1-CD1 4.41Å; F188-L472 HydrophobicContact CG-CD1 3.92Å; F416-L472 HydrophobicContact CE1-CB 4.02Å; C468-L472 WeakPolarHBondContact O-CB 3.33Å; C468-L472 VanDerWaalsContact O-CG 3.23Å; C468-L472 WeakPolarHBondContact O-CG 3.28Å; C468-L472 PolarHBondContact O-N 3.42Å; K470-L472 PolarHBondContact O-N 3.16Å; L472-F476 WeakPolarHBondContact O-CB 3.47Å; L472-F476 PolarHBondContact O-N 3.3Å
473K95Very high93.9Very high36 Ų3659.9 Ų59.916%0.15727%0.269CS..Hα-helixtrans-59.4-52171.2161.5-174179.2-170.20111W421 L469 K470 T471 E475 F476 Q477 E495W421-K473 HydrophobicContact CD2-CB 3.93Å; W421-K473 HydrophobicContact CD2-CD 4.05Å; W421-K473 HydrophobicContact CD2-CG 3.88Å; W421-K473 VanDerWaalsContact CE2-CD 3.4Å; W421-K473 HydrophobicContact CE3-CB 3.94Å; W421-K473 HydrophobicContact CE3-CD 4.46Å; W421-K473 HydrophobicContact CE3-CG 3.84Å; W421-K473 HydrophobicContact CH2-CD 3.79Å; W421-K473 HydrophobicContact CH2-CG 3.52Å; W421-K473 HydrophobicContact CZ2-CD 3.31Å; W421-K473 HydrophobicContact CZ2-CG 3.59Å; W421-K473 HydrophobicContact CZ3-CB 4.22Å; W421-K473 HydrophobicContact CZ3-CD 4.34Å; W421-K473 HydrophobicContact CZ3-CG 3.66Å; L469-K473 VanDerWaalsContact O-CB 3.32Å; L469-K473 WeakPolarHBondContact O-CB 3.41Å; L469-K473 PolarHBondContact O-N 2.97Å; K470-K473 WeakPolarHBondContact O-CB 3.4Å; K470-K473 PolarHBondContact O-N 3.14Å; T471-K473 VanDerWaalsContact C-N 3.32Å; T471-K473 PolarHBondContact O-N 2.93Å; K473-E475 VanDerWaalsContact C-N 3.33Å; K473-E475 PolarHBondContact O-N 2.65Å; K473-F476 WeakPolarHBondContact O-CB 3.19Å; K473-F476 PolarHBondContact O-N 2.91Å; K473-F476 VanDerWaalsContact O-N 3.14Å; K473-Q477 WeakPolarHBondContact O-CG 3.4Å; K473-Q477 PolarHBondContact O-N 2.94Å; K473-E495 WeakPolarHBondContact CE-OE1 3.33Å; K473-E495 IonicContact NZ-OE1 3.9Å; K473-E495 PolarHBondContact NZ-OE1 3.35Å
474E93.9Very high93.8Very high66 Ų6655.1 Ų55.131%0.30825%0.248SC..Hα-helixtrans-60.5-44.7-179.1-70.1170.2-168.400110.8K470 T471 F476 Q477 Q478K470-E474 WeakPolarHBondContact CE-OE1 3.45Å; K470-E474 IonicContact NZ-OE1 3.42Å; K470-E474 WeakPolarHBondContact O-CG 3.48Å; K470-E474 PolarHBondContact O-N 3.25Å; T471-E474 PolarHBondContact O-N 3.16Å; E474-F476 VanDerWaalsContact C-N 3.34Å; E474-F476 PolarHBondContact O-N 2.83Å; E474-Q477 PolarHBondContact O-N 3.48Å; E474-Q478 VanDerWaalsContact O-CG 3.31Å; E474-Q478 WeakPolarHBondContact O-CG 3.5Å; E474-Q478 PolarHBondContact O-N 3.18Å
475E93.9Very high93.5Very high47 Ų4753.1 Ų53.122%0.2225%0.248CC..Hα-helixtrans-58.6-44.2173.7-73.3179.1-169.500111.9R189 T471 K473 Q478 N479R189-E475 IonicContact CZ-OE1 3.12Å; R189-E475 IonicContact CZ-OE2 3.4Å; R189-E475 IonicContact NH1-OE1 3.25Å; R189-E475 PolarHBondContact NH1-OE1 3.33Å; R189-E475 IonicContact NH1-OE2 2.8Å; R189-E475 PolarHBondContact NH1-OE2 2.03Å; R189-E475 IonicContact NH2-OE1 2.93Å; R189-E475 PolarHBondContact NH2-OE1 3.04Å; R189-E475 IonicContact NH2-OE2 3.62Å; T471-E475 WeakPolarHBondContact O-CG 3.37Å; T471-E475 PolarHBondContact O-N 3.33Å; K473-E475 VanDerWaalsContact C-N 3.33Å; K473-E475 PolarHBondContact O-N 2.65Å; E475-Q478 PolarHBondContact O-N 3.4Å; E475-N479 WeakPolarHBondContact O-CB 3.25Å; E475-N479 PolarHBondContact O-N 2.92Å; E475-N479 PolarHBondContact O-ND2 3.3Å
476F95.1Very high92.8Very high1 Ų161.5 Ų61.50%0.00429%0.285CS..Hα-helixtrans-58.9-49.9176.3178.5-91.9000111.2D413 R415 F416 W421 A425 M428 E429 L472 K473 E474 Q478 N479 M480D413-F476 HydrophobicContact CB-CD2 4.24Å; D413-F476 HydrophobicContact CB-CE2 3.98Å; D413-F476 WeakPolarHBondContact OD2-CD2 3.5Å; R415-F476 VanDerWaalsContact NH2-CD2 3.27Å; F416-F476 HydrophobicContact CE2-CB 4.02Å; F416-F476 AromaticContact CE2-CD2 3.8Å; F416-F476 HydrophobicContact CE2-CD2 3.8Å; F416-F476 AromaticContact CE2-CG 3.9Å; F416-F476 HydrophobicContact CE2-CG 3.9Å; F416-F476 HydrophobicContact CZ-CB 3.77Å; F416-F476 HydrophobicContact CZ-CD2 4.41Å; F416-F476 HydrophobicContact CZ-CG 4.09Å; W421-F476 HydrophobicContact CZ3-CD1 4.18Å; A425-F476 HydrophobicContact CB-CD1 4.3Å; A425-F476 HydrophobicContact CB-CD2 4.36Å; A425-F476 HydrophobicContact CB-CE1 3.92Å; A425-F476 HydrophobicContact CB-CE2 4.03Å; A425-F476 HydrophobicContact CB-CZ 3.8Å; A425-F476 WeakPolarHBondContact O-CZ 3.47Å; M428-F476 HydrophobicContact CB-CE1 4.36Å; M428-F476 HydrophobicContact CG-CE1 4.26Å; M428-F476 HydrophobicContact SD-CD1 4.14Å; M428-F476 HydrophobicContact SD-CE1 3.74Å; E429-F476 HydrophobicContact CB-CZ 4.48Å; L472-F476 WeakPolarHBondContact O-CB 3.47Å; L472-F476 PolarHBondContact O-N 3.3Å; K473-F476 WeakPolarHBondContact O-CB 3.19Å; K473-F476 PolarHBondContact O-N 2.91Å; K473-F476 VanDerWaalsContact O-N 3.14Å; E474-F476 VanDerWaalsContact C-N 3.34Å; E474-F476 PolarHBondContact O-N 2.83Å; F476-Q478 VanDerWaalsContact C-N 3.34Å; F476-Q478 PolarHBondContact O-N 3.44Å; F476-N479 WeakPolarHBondContact O-CA 3.45Å; F476-N479 WeakPolarHBondContact O-CB 3.19Å; F476-N479 PolarHBondContact O-N 3.41Å; F476-N479 VanDerWaalsContact O-N 3.07Å; F476-M480 HydrophobicContact CD1-CG 3.9Å; F476-M480 HydrophobicContact CE1-CG 3.48Å; F476-M480 VanDerWaalsContact CE1-CG 3.48Å; F476-M480 HydrophobicContact CE1-SD 4.09Å; F476-M480 HydrophobicContact CE2-CG 4.33Å; F476-M480 HydrophobicContact CE2-SD 4.2Å; F476-M480 HydrophobicContact CG-CG 4.49Å; F476-M480 HydrophobicContact CZ-CG 3.7Å; F476-M480 HydrophobicContact CZ-SD 3.68Å; F476-M480 WeakPolarHBondContact O-CG 3.43Å; F476-M480 PolarHBondContact O-N 2.88Å
477Q93.1Very high92Very high11 Ų1158.6 Ų58.65%0.05128%0.281CS..Hα-helixtrans-62.6-38.4-180-67.9173.7-52.600112.7W421 M428 K473 E474 M480 S481 Y491 M492W421-Q477 HydrophobicContact CH2-CG 4.36Å; W421-Q477 HydrophobicContact CZ3-CG 4.46Å; M428-Q477 HydrophobicContact SD-CG 4.2Å; K473-Q477 WeakPolarHBondContact O-CG 3.4Å; K473-Q477 PolarHBondContact O-N 2.94Å; E474-Q477 PolarHBondContact O-N 3.48Å; Q477-M480 PolarHBondContact O-N 3.15Å; Q477-S481 PolarHBondContact O-N 3.3Å; Q477-S481 PolarHBondContact O-OG 3.12Å; Q477-Y491 PolarHBondContact NE2-O 3.16Å; Q477-Y491 VanDerWaalsContact NE2-O 3.11Å; Q477-M492 HydrophobicContact CB-SD 4.15Å
478Q91.9Very high91.4Very high81 Ų8155.5 Ų55.538%0.37926%0.263SS..Hα-helixtrans-64.1-41.2172.6-70.2175.919.100111.8E474 E475 F476 M480 S481 R482 M492E474-Q478 VanDerWaalsContact O-CG 3.31Å; E474-Q478 WeakPolarHBondContact O-CG 3.5Å; E474-Q478 PolarHBondContact O-N 3.18Å; E475-Q478 PolarHBondContact O-N 3.4Å; F476-Q478 VanDerWaalsContact C-N 3.34Å; F476-Q478 PolarHBondContact O-N 3.44Å; Q478-M480 VanDerWaalsContact C-N 3.34Å; Q478-S481 PolarHBondContact O-N 3.24Å; Q478-R482 WeakPolarHBondContact O-CG 3.39Å; Q478-R482 PolarHBondContact O-N 3.29Å; Q478-M492 HydrophobicContact CG-CE 4.27Å; Q478-M492 HydrophobicContact CG-SD 4.43Å
479N92.8Very high90.6Very high63 Ų6359.8 Ų59.834%0.33729%0.285SS..Hα-helixtrans-63.9-41.5176.7-81.7-129.3000110.9E475 F476 R482 R483E475-N479 WeakPolarHBondContact O-CB 3.25Å; E475-N479 PolarHBondContact O-N 2.92Å; E475-N479 PolarHBondContact O-ND2 3.3Å; F476-N479 WeakPolarHBondContact O-CA 3.45Å; F476-N479 WeakPolarHBondContact O-CB 3.19Å; F476-N479 PolarHBondContact O-N 3.41Å; F476-N479 VanDerWaalsContact O-N 3.07Å; N479-R482 PolarHBondContact O-N 2.93Å; N479-R483 WeakPolarHBondContact O-CB 3.29Å; N479-R483 WeakPolarHBondContact O-CG 3.14Å; N479-R483 PolarHBondContact O-N 3.3Å
480M92.9Very high90Very high2 Ų263.5 Ų63.51%0.0130%0.301CS..Hα-helixtrans-60.7-45.3173.9-68.9-55.7-68.500111.7E429 A432 F476 Q477 Q478 R482 R483 F484 A488E429-M480 HydrophobicContact CB-CE 3.88Å; E429-M480 HydrophobicContact CB-SD 4.33Å; E429-M480 HydrophobicContact CG-CE 3.94Å; E429-M480 HydrophobicContact CG-SD 4.29Å; A432-M480 HydrophobicContact CB-CE 3.17Å; F476-M480 HydrophobicContact CD1-CG 3.9Å; F476-M480 HydrophobicContact CE1-CG 3.48Å; F476-M480 VanDerWaalsContact CE1-CG 3.48Å; F476-M480 HydrophobicContact CE1-SD 4.09Å; F476-M480 HydrophobicContact CE2-CG 4.33Å; F476-M480 HydrophobicContact CE2-SD 4.2Å; F476-M480 HydrophobicContact CG-CG 4.49Å; F476-M480 HydrophobicContact CZ-CG 3.7Å; F476-M480 HydrophobicContact CZ-SD 3.68Å; F476-M480 WeakPolarHBondContact O-CG 3.43Å; F476-M480 PolarHBondContact O-N 2.88Å; Q477-M480 PolarHBondContact O-N 3.15Å; Q478-M480 VanDerWaalsContact C-N 3.34Å; M480-R482 VanDerWaalsContact C-N 3.33Å; M480-R482 PolarHBondContact O-N 3.24Å; M480-R483 PolarHBondContact O-N 2.71Å; M480-F484 HydrophobicContact CE-CD2 3.39Å; M480-F484 HydrophobicContact CE-CE2 3.33Å; M480-F484 HydrophobicContact CE-CZ 4.46Å; M480-F484 PolarHBondContact O-N 2.88Å; M480-F484 HydrophobicContact SD-CD2 4.02Å; M480-F484 HydrophobicContact SD-CE2 3.73Å; M480-A488 HydrophobicContact CB-CB 4.27Å; M480-A488 WeakPolarHBondContact O-CB 3.35Å
481S89.6Confident89.4Confident24 Ų2458 Ų5817%0.16828%0.277CS..Hα-helixtrans-60.9-40.2177-59.40000112.3Q477 Q478 G485 M492Q477-S481 PolarHBondContact O-N 3.3Å; Q477-S481 PolarHBondContact O-OG 3.12Å; Q478-S481 PolarHBondContact O-N 3.24Å; S481-G485 VanDerWaalsContact O-CA 3.27Å; S481-G485 WeakPolarHBondContact O-CA 3.33Å; S481-G485 PolarHBondContact O-N 3.45Å; S481-M492 WeakPolarHBondContact OG-CG 3.44Å
482R90.3Very high88.3Confident198 Ų19860 Ų6075%0.74728%0.284SS*.Hα-helixtrans-68.4-37.9176.1-70175.6-171.5172.64.8112.7Q478 N479 M480Q478-R482 WeakPolarHBondContact O-CG 3.39Å; Q478-R482 PolarHBondContact O-N 3.29Å; N479-R482 PolarHBondContact O-N 2.93Å; M480-R482 VanDerWaalsContact C-N 3.33Å; M480-R482 PolarHBondContact O-N 3.24Å
483R93.3Very high86.5Confident150 Ų15064.1 Ų64.157%0.56631%0.309SS*.Hα-helixtrans-78.5-40.8-176.9-73.9175.969.2-155-2.8113.2E429 N479 M480E429-R483 IonicContact OE1-CZ 2.65Å; E429-R483 IonicContact OE1-NH1 2.96Å; E429-R483 PolarHBondContact OE1-NH1 2.59Å; E429-R483 IonicContact OE1-NH2 2.95Å; E429-R483 PolarHBondContact OE1-NH2 2.67Å; E429-R483 VanDerWaalsContact OE1-NH2 3.11Å; E429-R483 IonicContact OE2-NH1 3.11Å; N479-R483 WeakPolarHBondContact O-CB 3.29Å; N479-R483 WeakPolarHBondContact O-CG 3.14Å; N479-R483 PolarHBondContact O-N 3.3Å; M480-R483 PolarHBondContact O-N 2.71Å
484F92Very high84.5Confident56 Ų5664.2 Ų64.225%0.24632%0.317CS..Hα-helixtrans-114.5-0.3-170.3-58.3-73.9000113.8E429 A432 Q433 M480 F486 A487 A488E429-F484 HydrophobicContact CG-CE2 4.38Å; E429-F484 HydrophobicContact CG-CZ 4.44Å; A432-F484 HydrophobicContact CB-CB 4.37Å; A432-F484 HydrophobicContact CB-CD2 3.83Å; A432-F484 HydrophobicContact CB-CE2 4.28Å; A432-F484 HydrophobicContact CB-CG 4.03Å; Q433-F484 HydrophobicContact CG-CD1 4.49Å; Q433-F484 HydrophobicContact CG-CE1 3.61Å; Q433-F484 HydrophobicContact CG-CZ 3.74Å; M480-F484 HydrophobicContact CE-CD2 3.39Å; M480-F484 HydrophobicContact CE-CE2 3.33Å; M480-F484 HydrophobicContact CE-CZ 4.46Å; M480-F484 PolarHBondContact O-N 2.88Å; M480-F484 HydrophobicContact SD-CD2 4.02Å; M480-F484 HydrophobicContact SD-CE2 3.73Å; F484-F486 PolarHBondContact O-N 2.85Å; F484-A487 PolarHBondContact O-N 3.28Å; F484-A488 HydrophobicContact CB-CB 4.11Å
485G88.6Confident82.2Confident35 Ų3563.9 Ų63.936%0.36132%0.316SS..G310 helixtrans58.3-127172.900000112.9S481 A487 A488S481-G485 VanDerWaalsContact O-CA 3.27Å; S481-G485 WeakPolarHBondContact O-CA 3.33Å; S481-G485 PolarHBondContact O-N 3.45Å; G485-A487 VanDerWaalsContact C-N 3.28Å; G485-A487 PolarHBondContact O-N 3.24Å; G485-A488 PolarHBondContact O-N 3.16Å
486F78.5Confident79.5Confident181 Ų18168.6 Ų68.679%0.79434%0.342SS*.G310 helixtrans-57.9-36.5-174.4-170.6-92.5000113.4F484 A488 L489F484-F486 PolarHBondContact O-N 2.85Å; F486-A488 PolarHBondContact O-N 3.38Å; F486-A488 VanDerWaalsContact O-N 3.14Å; F486-L489 HydrophobicContact CB-CD1 4.46Å; F486-L489 HydrophobicContact CD2-CD1 3.58Å; F486-L489 HydrophobicContact CE2-CD1 4.09Å; F486-L489 HydrophobicContact CG-CD1 4.22Å; F486-L489 PolarHBondContact O-N 3.34Å
487A79.4Confident76.5Confident35 Ų3576.1 Ų76.129%0.28938%0.382SS..G310 helixtrans-59.9-26.4179.100000112.9F484 G485F484-A487 PolarHBondContact O-N 3.28Å; G485-A487 VanDerWaalsContact C-N 3.28Å; G485-A487 PolarHBondContact O-N 3.24Å
488A82.6Confident73.5Confident0 Ų083.1 Ų83.10%043%0.432CS..G310 helixtrans-98.8-5.7-177.900000114.8M480 F484 G485 F486 K490 Y491M480-A488 HydrophobicContact CB-CB 4.27Å; M480-A488 WeakPolarHBondContact O-CB 3.35Å; F484-A488 HydrophobicContact CB-CB 4.11Å; G485-A488 PolarHBondContact O-N 3.16Å; F486-A488 PolarHBondContact O-N 3.38Å; F486-A488 VanDerWaalsContact O-N 3.14Å; A488-K490 PolarHBondContact O-N 2.88Å; A488-Y491 VanDerWaalsContact CA-CD2 3.48Å; A488-Y491 VanDerWaalsContact CA-CE2 3.48Å; A488-Y491 HydrophobicContact CB-CD2 3.67Å; A488-Y491 HydrophobicContact CB-CE2 3.73Å; A488-Y491 WeakPolarHBondContact O-CB 3.25Å; A488-Y491 WeakPolarHBondContact O-CD2 3.31Å; A488-Y491 PolarHBondContact O-N 2.98Å; A488-Y491 VanDerWaalsContact O-N 3.07Å
489L78.5Confident72.6Confident92 Ų9283.2 Ų83.248%0.48244%0.435SS..Hα-helixtrans-60.8-31.2179.8-72.5175.2000112.9F486 Y491 M492F486-L489 HydrophobicContact CB-CD1 4.46Å; F486-L489 HydrophobicContact CD2-CD1 3.58Å; F486-L489 HydrophobicContact CE2-CD1 4.09Å; F486-L489 HydrophobicContact CG-CD1 4.22Å; F486-L489 PolarHBondContact O-N 3.34Å; L489-Y491 PolarHBondContact O-N 3.08Å; L489-Y491 VanDerWaalsContact O-N 3.13Å; L489-M492 PolarHBondContact O-N 3.12Å; L489-M492 VanDerWaalsContact O-N 3.11Å
490K82.9Confident71.6Confident92 Ų9284.3 Ų84.340%0.444%0.44SS..Hα-helixtrans-60.4-20.317766.1-176-179.6177.80113.7D431 A488 T493D431-K490 IonicContact OD1-NZ 3.39Å; D431-K490 PolarHBondContact OD1-NZ 3.25Å; D431-K490 WeakPolarHBondContact OD2-CE 3.46Å; D431-K490 IonicContact OD2-NZ 2.66Å; D431-K490 PolarHBondContact OD2-NZ 3.12Å; A488-K490 PolarHBondContact O-N 2.88Å; K490-T493 PolarHBondContact O-OG1 3.05Å
491Y83.2Confident70.4Confident1 Ų188.8 Ų88.80%0.00446%0.464CS..Hα-helixtrans-81.8-24.7178.4-49.4-47.2000113.2W395 M428 D431 A432 Q477 A488 L489W395-Y491 HydrophobicContact CD2-CE1 4.14Å; W395-Y491 HydrophobicContact CE3-CD1 4.39Å; W395-Y491 AromaticContact CE3-CE1 3.87Å; W395-Y491 HydrophobicContact CE3-CE1 3.87Å; W395-Y491 AromaticContact CH2-CD1 3.39Å; W395-Y491 HydrophobicContact CH2-CD1 3.39Å; W395-Y491 AromaticContact CH2-CE1 3.59Å; W395-Y491 HydrophobicContact CH2-CE1 3.59Å; W395-Y491 AromaticContact CZ2-CD1 3.95Å; W395-Y491 HydrophobicContact CZ2-CD1 3.95Å; W395-Y491 AromaticContact CZ2-CE1 3.84Å; W395-Y491 HydrophobicContact CZ2-CE1 3.84Å; W395-Y491 AromaticContact CZ3-CD1 3.64Å; W395-Y491 HydrophobicContact CZ3-CD1 3.64Å; W395-Y491 AromaticContact CZ3-CE1 3.59Å; W395-Y491 HydrophobicContact CZ3-CE1 3.59Å; M428-Y491 HydrophobicContact CE-CD1 3.97Å; M428-Y491 HydrophobicContact CE-CG 4.2Å; M428-Y491 HydrophobicContact CG-CD1 3.89Å; M428-Y491 HydrophobicContact CG-CD2 4.05Å; M428-Y491 HydrophobicContact CG-CE1 3.75Å; M428-Y491 HydrophobicContact CG-CE2 3.91Å; M428-Y491 HydrophobicContact CG-CG 4.05Å; M428-Y491 PolarHBondContact O-OH 2.91Å; M428-Y491 HydrophobicContact SD-CD1 4.02Å; M428-Y491 HydrophobicContact SD-CD2 4.06Å; M428-Y491 HydrophobicContact SD-CE1 4.48Å; M428-Y491 HydrophobicContact SD-CG 3.8Å; D431-Y491 VanDerWaalsContact CG-OH 3.27Å; D431-Y491 WeakPolarHBondContact OD2-CE1 3.34Å; D431-Y491 PolarHBondContact OD2-OH 3.31Å; A432-Y491 WeakPolarHBondContact CA-OH 3.49Å; A432-Y491 HydrophobicContact CB-CE2 3.86Å; A432-Y491 PolarHBondContact N-OH 3.23Å; Q477-Y491 PolarHBondContact NE2-O 3.16Å; Q477-Y491 VanDerWaalsContact NE2-O 3.11Å; A488-Y491 VanDerWaalsContact CA-CD2 3.48Å; A488-Y491 VanDerWaalsContact CA-CE2 3.48Å; A488-Y491 HydrophobicContact CB-CD2 3.67Å; A488-Y491 HydrophobicContact CB-CE2 3.73Å; A488-Y491 WeakPolarHBondContact O-CB 3.25Å; A488-Y491 WeakPolarHBondContact O-CD2 3.31Å; A488-Y491 PolarHBondContact O-N 2.98Å; A488-Y491 VanDerWaalsContact O-N 3.07Å; L489-Y491 PolarHBondContact O-N 3.08Å; L489-Y491 VanDerWaalsContact O-N 3.13Å
492M70.8Confident69.2Low85 Ų8592.6 Ų92.642%0.41948%0.482SS..Hα-helixtrans-79.7-29.7-178.8-65.5-67.7-66.800112.1Q477 Q478 S481 L489 A494Q477-M492 HydrophobicContact CB-SD 4.15Å; Q478-M492 HydrophobicContact CG-CE 4.27Å; Q478-M492 HydrophobicContact CG-SD 4.43Å; S481-M492 WeakPolarHBondContact OG-CG 3.44Å; L489-M492 PolarHBondContact O-N 3.12Å; L489-M492 VanDerWaalsContact O-N 3.11Å; M492-A494 VanDerWaalsContact C-N 3.33Å
493T57.8Low67.9Low90 Ų9086.1 Ų86.155%0.55247%0.465SS*.THydrogen-bonded Turntrans-79.2-13.5-179.843.90000114.1K490 E495 N496K490-T493 PolarHBondContact O-OG1 3.05Å; T493-E495 PolarHBondContact O-N 3.47Å; T493-N496 PolarHBondContact O-N 2.95Å
494A53Low66.2Low39 Ų3981.8 Ų81.832%0.32246%0.458SS..THydrogen-bonded Turntrans-69.1-15.1-174.500000114.1A397 M492 S498A397-A494 HydrophobicContact CB-CB 4.38Å; M492-A494 VanDerWaalsContact C-N 3.33Å; A494-S498 PolarHBondContact O-OG 3.15Å
495E46.7Very low64.4Low59 Ų5983.6 Ų83.628%0.27647%0.473SS..SBendtrans-95.9-25.1178.9-67.9-159.1151.300114.5K473 T493 N497 S498K473-E495 WeakPolarHBondContact CE-OE1 3.33Å; K473-E495 IonicContact NZ-OE1 3.9Å; K473-E495 PolarHBondContact NZ-OE1 3.35Å; T493-E495 PolarHBondContact O-N 3.47Å; E495-N497 PolarHBondContact O-N 3.37Å; E495-S498 PolarHBondContact O-N 3.08Å; E495-S498 PolarHBondContact O-OG 3.23Å
496N37.1Very low62.5Low145 Ų14587.4 Ų87.478%0.77548%0.482SS*.THydrogen-bonded Turntrans-69.8-6.1-176.7-78.3-9.7000114.4T493T493-N496 PolarHBondContact O-N 2.95Å
497N31.6Very low61.2Low159 Ų15979.6 Ų79.685%0.8546%0.456SS*.THydrogen-bonded Turntrans-11919.8179.1-73.5-19.9000113.4E495E495-N497 PolarHBondContact O-N 3.37Å
498S31Very low59.6Low158 Ų15883.6 Ų83.6100%1.10547%0.471SS*.  trans-111.90-178.6-19.80000113.6A494 E495A494-S498 PolarHBondContact O-OG 3.15Å; E495-S498 PolarHBondContact O-N 3.08Å; E495-S498 PolarHBondContact O-OG 3.23Å

Retrieved 498 of 498 residues in 102.8 ms (Link to these results)

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