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Chronophin

Functions as a pyridoxal phosphate (PLP) phosphatase, which also catalyzes the dephosphorylation of pyridoxine 5'-phosphate (PNP) and pyridoxamine 5'-phosphate (PMP), with order of substrate preference PLP > PNP > PMP and therefore plays a role in vitamin B6 metabolism. Also functions as a protein serine phosphatase that specifically dephosphorylates 'Ser-3' in proteins of the actin-depolymerizing factor (ADF)/cofilin family like CFL1 and DSTN. Thereby, regulates cofilin-dependent actin cytoskeleton reorganization, being required for normal progress through mitosis and normal cytokinesis. Does not dephosphorylate phosphothreonines in LIMK1. Does not dephosphorylate peptides containing phosphotyrosine.

AlphaFold DB (Q96GD0), UniProt , Accession A0A024R1I3, Species HUMAN (Homo sapiens, Human), Gene PDXP, Length 296 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
1M84.6Confident96.3Very high193 Ų19378 Ų7895%0.95139%0.385SS*.  0133.90-93.7-177.5-178.800108.4
2A95Very high96.4Very high6 Ų671.7 Ų71.75%0.0535%0.354CS..  trans-68139.9176.400000111.8V279A2-V279 HydrophobicContact CB-CB 4.09Å; A2-V279 HydrophobicContact CB-CG1 4Å; A2-V279 WeakPolarHBondContact CB-O 3.27Å
3R97Very high96.5Very high172 Ų17276.3 Ų76.365%0.64937%0.365SS*.  trans-129.54.6-179.6-71.1-171.8174.1-169.9-1.3113.6E5R3-E5 VanDerWaalsContact C-N 3.28Å; R3-E5 HydrophobicContact CB-CG 3.89Å; R3-E5 WeakPolarHBondContact CD-OE1 3.38Å; R3-E5 PolarHBondContact O-N 2.74Å
4C98Very high96.6Very high11 Ų1177.5 Ų77.57%0.07437%0.374CS..  trans52.645.7-178.1-163.60000112.4V279 P280 H281 Y283C4-V279 HydrophobicContact CB-CG1 3.9Å; C4-P280 WeakPolarHBondContact CA-O 3.46Å; C4-P280 HydrophobicContact CB-CG 4.27Å; C4-P280 PolarHBondContact N-O 3.41Å; C4-H281 PolarHBondContact N-O 3.01Å; C4-Y283 WeakPolarHBondContact O-CD1 3.45Å; C4-Y283 VanDerWaalsContact O-CE1 3.31Å; C4-Y283 WeakPolarHBondContact O-CE1 3.28Å
5E98.1Very high96.6Very high92 Ų9273.6 Ų73.643%0.4336%0.357SS..EExtended strand (participates in β ladder)trans-82.8145-178.6-69.4177.3-168.200111.2R3 L7 H281 Y282 Y283R3-E5 VanDerWaalsContact C-N 3.28Å; R3-E5 HydrophobicContact CB-CG 3.89Å; R3-E5 WeakPolarHBondContact CD-OE1 3.38Å; R3-E5 PolarHBondContact O-N 2.74Å; E5-L7 PolarHBondContact O-N 3.39Å; E5-H281 PolarHBondContact N-O 3.44Å; E5-Y282 HydrophobicContact CB-CD1 4Å; E5-Y282 HydrophobicContact CB-CE1 4.31Å; E5-Y282 CarbonylContact O-C 3.34Å; E5-Y282 WeakPolarHBondContact O-CA 3.45Å; E5-Y282 WeakPolarHBondContact O-CB 3.26Å; E5-Y283 PolarHBondContact O-N 2.96Å
6R98.6Very high96.7Very high94 Ų9469.1 Ų69.136%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-69121.9175.5-168.6170.31761482109.8R8 Y283 E285R6-R8 PolarHBondContact O-N 3.25Å; R6-Y283 WeakPolarHBondContact CA-O 3.3Å; R6-Y283 HydrophobicContact CB-CD1 4.43Å; R6-Y283 HydrophobicContact CB-CE1 3.73Å; R6-Y283 HydrophobicContact CB-CE2 4.15Å; R6-Y283 HydrophobicContact CG-CE1 4.43Å; R6-Y283 HydrophobicContact CG-CE2 3.96Å; R6-E285 IonicContact CZ-OE1 2.99Å; R6-E285 IonicContact NH1-OE1 3.81Å; R6-E285 PolarHBondContact NH1-OE1 3.36Å; R6-E285 VanDerWaalsContact NH1-OE1 3.12Å; R6-E285 IonicContact NH2-OE1 3.23Å
7L98.4Very high96.7Very high3 Ų368.1 Ų68.12%0.01635%0.347CS..  trans-80105.7179.4-162.857.4000110.4E5 A11 L12 V15 V255 Y282 Y283 V284 L290E5-L7 PolarHBondContact O-N 3.39Å; L7-A11 HydrophobicContact CD1-CB 4.32Å; L7-L12 HydrophobicContact CD1-CB 4.32Å; L7-L12 HydrophobicContact CD2-CD1 3.72Å; L7-L12 HydrophobicContact CG-CB 4.02Å; L7-L12 HydrophobicContact CG-CD1 3.69Å; L7-L12 HydrophobicContact CG-CG 4.45Å; L7-V15 HydrophobicContact CD1-CB 4.17Å; L7-V15 HydrophobicContact CD1-CG2 3.97Å; L7-V15 HydrophobicContact CD2-CG1 4.39Å; L7-V255 HydrophobicContact CD2-CG1 4.48Å; L7-V255 HydrophobicContact CD2-CG2 4.25Å; L7-Y282 HydrophobicContact CB-CD1 4.43Å; L7-Y282 HydrophobicContact CB-CG 4.27Å; L7-Y282 HydrophobicContact CD1-CD1 3.75Å; L7-Y282 HydrophobicContact CD1-CD2 4.11Å; L7-Y282 HydrophobicContact CD1-CE1 4.04Å; L7-Y282 HydrophobicContact CD1-CE2 4.37Å; L7-Y282 HydrophobicContact CD1-CG 3.79Å; L7-Y282 HydrophobicContact CD2-CG 4.49Å; L7-Y282 HydrophobicContact CG-CG 4.39Å; L7-Y283 PolarHBondContact N-O 2.74Å; L7-V284 HydrophobicContact CB-CG1 3.93Å; L7-L290 HydrophobicContact CD2-CD2 3.84Å
8R98.1Very high96.7Very high162 Ų16274.6 Ų74.661%0.61137%0.367SS*.  trans-157.1166.9178.160.6-179-178.8177.91.4111.7R6 A10 A11 L12R6-R8 PolarHBondContact O-N 3.25Å; R8-A10 PolarHBondContact O-N 3.09Å; R8-A11 PolarHBondContact O-N 2.94Å; R8-L12 PolarHBondContact O-N 3.29Å
9G97.1Very high96.7Very high33 Ų3370.9 Ų70.934%0.3435%0.349SS..Hα-helixtrans58.6-132.3172.600000113.2A11 L12 R13G9-A11 PolarHBondContact O-N 3.22Å; G9-L12 PolarHBondContact O-N 3.33Å; G9-R13 PolarHBondContact O-N 3.35Å
10A96.9Very high96.8Very high55 Ų5571.8 Ų71.846%0.45535%0.353SS..Hα-helixtrans-62.9-41.1-17800000112.8R8 L12 R13 D14R8-A10 PolarHBondContact O-N 3.09Å; A10-L12 VanDerWaalsContact C-N 3.3Å; A10-L12 PolarHBondContact O-N 3.35Å; A10-R13 PolarHBondContact O-N 3.03Å; A10-D14 PolarHBondContact O-N 3.38Å
11A97.5Very high96.8Very high37 Ų3768.6 Ų68.631%0.30634%0.338SS..Hα-helixtrans-60.1-41.7178.900000111.7L7 R8 G9 D14 V15L7-A11 HydrophobicContact CD1-CB 4.32Å; R8-A11 PolarHBondContact O-N 2.94Å; G9-A11 PolarHBondContact O-N 3.22Å; A11-D14 PolarHBondContact O-N 3.03Å; A11-V15 WeakPolarHBondContact O-CB 3.43Å; A11-V15 WeakPolarHBondContact O-CG2 3.16Å; A11-V15 PolarHBondContact O-N 3.49Å
12L98.1Very high97.5Very high2 Ų259.5 Ų59.51%0.0129%0.294CS..Hα-helixtrans-60.5-48.8176174.562.6000111.7L7 R8 G9 A10 D14 V15 L16 D289 L290 E292L7-L12 HydrophobicContact CD1-CB 4.32Å; L7-L12 HydrophobicContact CD2-CD1 3.72Å; L7-L12 HydrophobicContact CG-CB 4.02Å; L7-L12 HydrophobicContact CG-CD1 3.69Å; L7-L12 HydrophobicContact CG-CG 4.45Å; R8-L12 PolarHBondContact O-N 3.29Å; G9-L12 PolarHBondContact O-N 3.33Å; A10-L12 VanDerWaalsContact C-N 3.3Å; A10-L12 PolarHBondContact O-N 3.35Å; L12-D14 PolarHBondContact O-N 2.91Å; L12-V15 PolarHBondContact O-N 2.97Å; L12-L16 HydrophobicContact CD1-CD1 3.63Å; L12-L16 HydrophobicContact CD1-CG 4.05Å; L12-L16 HydrophobicContact CG-CD1 4.14Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 PolarHBondContact O-N 3.44Å; L12-D289 WeakPolarHBondContact CD2-O 3.39Å; L12-L290 HydrophobicContact CD1-CB 4.49Å; L12-L290 HydrophobicContact CD1-CD2 3.59Å; L12-E292 HydrophobicContact CD2-CB 4.15Å
13R97.3Very high97.7Very high132 Ų13259.4 Ų59.450%0.49829%0.292SS..Hα-helixtrans-61.4-42.5178-71.1-171.7-64.6-91.43.9112.3G9 A10 G17G9-R13 PolarHBondContact O-N 3.35Å; A10-R13 PolarHBondContact O-N 3.03Å; R13-G17 WeakPolarHBondContact O-CA 3.4Å; R13-G17 PolarHBondContact O-N 3.25Å
14D97.4Very high97.7Very high93 Ų9351.2 Ų51.250%0.49726%0.261SS..Hα-helixtrans-66.4-45.1-180-71.7-16.9000111.9A10 A11 L12 G17 R18A10-D14 PolarHBondContact O-N 3.38Å; A11-D14 PolarHBondContact O-N 3.03Å; L12-D14 PolarHBondContact O-N 2.91Å; D14-G17 PolarHBondContact O-N 3.49Å; D14-R18 VanDerWaalsContact O-CG 3.3Å; D14-R18 WeakPolarHBondContact O-CG 3.39Å; D14-R18 PolarHBondContact O-N 3.27Å; D14-R18 VanDerWaalsContact O-N 3.09Å
15V97.6Very high97.8Very high19 Ų1951.2 Ų51.212%0.11526%0.26CS..Hα-helixtrans-64.6-49.1179.6169.50000110.5L7 A11 L12 R18 A19 L234 Y282L7-V15 HydrophobicContact CD1-CB 4.17Å; L7-V15 HydrophobicContact CD1-CG2 3.97Å; L7-V15 HydrophobicContact CD2-CG1 4.39Å; A11-V15 WeakPolarHBondContact O-CB 3.43Å; A11-V15 WeakPolarHBondContact O-CG2 3.16Å; A11-V15 PolarHBondContact O-N 3.49Å; L12-V15 PolarHBondContact O-N 2.97Å; V15-R18 PolarHBondContact O-N 3.23Å; V15-A19 PolarHBondContact O-N 3.18Å; V15-L234 HydrophobicContact CG1-CD1 3.98Å; V15-L234 HydrophobicContact CG1-CD2 3.6Å; V15-L234 HydrophobicContact CG1-CG 4.45Å; V15-Y282 HydrophobicContact CG1-CE2 4.45Å; V15-Y282 HydrophobicContact CG2-CD2 4.47Å; V15-Y282 HydrophobicContact CG2-CE2 3.65Å
16L97.3Very high97.8Very high2 Ų246.9 Ų46.91%0.0124%0.24CC..Hα-helixtrans-65-41.3176.6-77.9175.4000111.8L12 R18 A19 L47 K52 L234 L290 L294L12-L16 HydrophobicContact CD1-CD1 3.63Å; L12-L16 HydrophobicContact CD1-CG 4.05Å; L12-L16 HydrophobicContact CG-CD1 4.14Å; L12-L16 WeakPolarHBondContact O-CB 3.28Å; L12-L16 PolarHBondContact O-N 3.44Å; L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 2.86Å; L16-A19 PolarHBondContact O-N 2.69Å; L16-A19 VanDerWaalsContact O-N 3.13Å; L16-L47 HydrophobicContact CD2-CD2 4.45Å; L16-K52 WeakPolarHBondContact O-CE 3.43Å; L16-K52 PolarHBondContact O-NZ 3.13Å; L16-L234 HydrophobicContact CD2-CD1 3.88Å; L16-L290 WeakPolarHBondContact CD1-O 3.45Å; L16-L294 HydrophobicContact CD1-CD2 4.04Å; L16-L294 HydrophobicContact CD1-CG 4.14Å
17G96.4Very high97.8Very high52 Ų5245 Ų4554%0.53624%0.237SC..Hα-helixtrans-58.5-39.717900000112.9R13 D14R13-G17 WeakPolarHBondContact O-CA 3.4Å; R13-G17 PolarHBondContact O-N 3.25Å; D14-G17 PolarHBondContact O-N 3.49Å
18R96.7Very high97.7Very high185 Ų18545 Ų4570%0.69824%0.238SC*.Hα-helixtrans-73.7-30.8176.5-68.1173.1-169.8-149.53.7113.1D14 V15 L16 R232D14-R18 VanDerWaalsContact O-CG 3.3Å; D14-R18 WeakPolarHBondContact O-CG 3.39Å; D14-R18 PolarHBondContact O-N 3.27Å; D14-R18 VanDerWaalsContact O-N 3.09Å; V15-R18 PolarHBondContact O-N 3.23Å; L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 2.86Å; R18-R232 PolarHBondContact O-NE 2.96Å; R18-R232 PolarHBondContact O-NH2 2.84Å
19A98.1Very high97.8Very high4 Ų437.3 Ų37.33%0.03321%0.209CC..  trans-68132.2-176.700000112.6V15 L16 K52 R232 L234V15-A19 PolarHBondContact O-N 3.18Å; L16-A19 PolarHBondContact O-N 2.69Å; L16-A19 VanDerWaalsContact O-N 3.13Å; A19-K52 PolarHBondContact O-NZ 3.36Å; A19-R232 CarbonylContact C-O 3.59Å; A19-R232 VanDerWaalsContact CA-O 3.28Å; A19-R232 WeakPolarHBondContact CA-O 3.3Å; A19-L234 HydrophobicContact CB-CD1 4.33Å; A19-L234 HydrophobicContact CB-CD2 4.34Å; A19-L234 HydrophobicContact CB-CG 3.96Å
20Q97.4Very high97.8Very high89 Ų8935.7 Ų35.742%0.41619%0.193SC..SBendtrans-84.1-29.4168.1-72.6177.3-26.100111.7K52 A53 R232Q20-K52 WeakPolarHBondContact O-CA 3.48Å; Q20-A53 PolarHBondContact O-N 3.39Å; Q20-R232 HydrophobicContact CB-CB 4.3Å; Q20-R232 HydrophobicContact CG-CB 4.01Å; Q20-R232 PolarHBondContact N-O 2.96Å
21G97.6Very high97.9Very high5 Ų533.2 Ų33.25%0.05217%0.172CC..EExtended strand (participates in β ladder)trans-160.8171.6-179.700000113.7A53 T233 L234G21-A53 CarbonylContact C-O 3.55Å; G21-A53 WeakPolarHBondContact CA-O 3.02Å; G21-T233 WeakPolarHBondContact O-CA 3.38Å; G21-L234 PolarHBondContact O-N 2.92Å; G21-L234 VanDerWaalsContact O-N 3.13Å
22V98.7Very high97.9Very high2 Ų235.2 Ų35.21%0.01218%0.177CC..EExtended strand (participates in β ladder)trans-130.9127.6-178.8-171.30000108.8F24 L47 A53 A54 L55 L234 V236V22-F24 HydrophobicContact CB-CD2 4.16Å; V22-F24 HydrophobicContact CB-CE2 3.6Å; V22-F24 HydrophobicContact CB-CZ 4.04Å; V22-F24 HydrophobicContact CG1-CD1 4.26Å; V22-F24 HydrophobicContact CG1-CD2 3.74Å; V22-F24 HydrophobicContact CG1-CE1 3.87Å; V22-F24 HydrophobicContact CG1-CE2 3.3Å; V22-F24 HydrophobicContact CG1-CG 4.21Å; V22-F24 HydrophobicContact CG1-CZ 3.38Å; V22-F24 HydrophobicContact CG2-CE2 4.49Å; V22-L47 HydrophobicContact CG2-CD1 4.32Å; V22-L47 HydrophobicContact CG2-CD2 4.25Å; V22-A53 PolarHBondContact N-O 3.4Å; V22-A54 WeakPolarHBondContact O-CA 3.34Å; V22-L55 PolarHBondContact O-N 2.93Å; V22-L234 WeakPolarHBondContact CA-O 3.34Å; V22-L234 HydrophobicContact CG1-CB 4.15Å; V22-L234 HydrophobicContact CG2-CB 4.36Å; V22-L234 HydrophobicContact CG2-CD1 4.34Å; V22-V236 HydrophobicContact CG1-CB 4.44Å; V22-V236 HydrophobicContact CG1-CG2 3.52Å
23L98.8Very high97.7Very high4 Ų437.2 Ų37.22%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-94121.6165.2-95.764.7000108.2L55 V57 I222 I228 T233 L234 M235 V236 F246 M252L23-L55 WeakPolarHBondContact CA-O 3.2Å; L23-L55 HydrophobicContact CD1-CB 3.95Å; L23-L55 HydrophobicContact CD1-CD1 4.12Å; L23-L55 HydrophobicContact CD1-CG 4.5Å; L23-L55 HydrophobicContact CG-CB 4.2Å; L23-V57 HydrophobicContact CD2-CG1 4.11Å; L23-V57 HydrophobicContact CG-CG1 4.42Å; L23-I222 HydrophobicContact CD2-CD1 3.87Å; L23-I228 HydrophobicContact CD1-CD1 4.13Å; L23-T233 HydrophobicContact CD1-CG2 3.76Å; L23-L234 PolarHBondContact N-O 3.2Å; L23-M235 HydrophobicContact CB-SD 3.88Å; L23-V236 PolarHBondContact O-N 2.92Å; L23-F246 HydrophobicContact CD2-CE1 4.28Å; L23-M252 HydrophobicContact CD2-CE 4.13Å; L23-M252 HydrophobicContact CD2-SD 4.15Å
24F98.9Very high97.5Very high0 Ų035.9 Ų35.90%020%0.198CC..EExtended strand (participates in β ladder)trans-105.4130.5176.1-71.6-81.5000110.3V22 V29 L30 L43 L44 L47 L55 F56 V57 V236 I287V22-F24 HydrophobicContact CB-CD2 4.16Å; V22-F24 HydrophobicContact CB-CE2 3.6Å; V22-F24 HydrophobicContact CB-CZ 4.04Å; V22-F24 HydrophobicContact CG1-CD1 4.26Å; V22-F24 HydrophobicContact CG1-CD2 3.74Å; V22-F24 HydrophobicContact CG1-CE1 3.87Å; V22-F24 HydrophobicContact CG1-CE2 3.3Å; V22-F24 HydrophobicContact CG1-CG 4.21Å; V22-F24 HydrophobicContact CG1-CZ 3.38Å; V22-F24 HydrophobicContact CG2-CE2 4.49Å; F24-V29 HydrophobicContact CD1-CG1 4.12Å; F24-L30 HydrophobicContact CD1-CD2 4.43Å; F24-L43 HydrophobicContact CE1-CD2 4.07Å; F24-L43 HydrophobicContact CZ-CD2 3.9Å; F24-L44 HydrophobicContact CD2-CD2 4.06Å; F24-L44 HydrophobicContact CE2-CD2 3.69Å; F24-L44 HydrophobicContact CZ-CD2 4.19Å; F24-L47 HydrophobicContact CE2-CD1 3.66Å; F24-L47 HydrophobicContact CZ-CD1 3.69Å; F24-L55 PolarHBondContact N-O 3.26Å; F24-F56 HydrophobicContact CB-CD1 4.11Å; F24-F56 HydrophobicContact CB-CE1 4.35Å; F24-F56 HydrophobicContact CD2-CE1 4.26Å; F24-F56 CarbonylContact O-C 3.53Å; F24-F56 WeakPolarHBondContact O-CA 3.43Å; F24-V57 WeakPolarHBondContact O-CG2 3.34Å; F24-V57 PolarHBondContact O-N 2.7Å; F24-V236 HydrophobicContact CD1-CB 3.76Å; F24-V236 HydrophobicContact CD1-CG1 3.94Å; F24-V236 HydrophobicContact CD1-CG2 4.21Å; F24-V236 HydrophobicContact CE1-CB 4Å; F24-V236 HydrophobicContact CE1-CG1 4.03Å; F24-V236 HydrophobicContact CE1-CG2 4Å; F24-I287 HydrophobicContact CE1-CD1 4.41Å; F24-I287 HydrophobicContact CE1-CG2 4.33Å
25D98.8Very high97.4Very high10 Ų1040.4 Ų40.45%0.05321%0.208CC..EExtended strand (participates in β ladder)trans-62.1160.5150-178.162.6000111.1D27 V29 V57 K213 M235 V236D25-D27 PolarHBondContact OD2-N 3.13Å; D25-D27 VanDerWaalsContact OD2-O 3.05Å; D25-V29 HydrophobicContact CB-CG2 3.83Å; D25-V29 WeakPolarHBondContact O-CB 3.13Å; D25-V29 WeakPolarHBondContact O-CG1 3.3Å; D25-V57 VanDerWaalsContact CA-O 3.29Å; D25-V57 WeakPolarHBondContact CA-O 3.43Å; D25-V57 VanDerWaalsContact OD1-O 3.12Å; D25-K213 VanDerWaalsContact CG-NZ 3.25Å; D25-K213 IonicContact OD1-NZ 3.9Å; D25-K213 PolarHBondContact OD1-NZ 3.05Å; D25-M235 HydrophobicContact CB-CE 4.48Å; D25-V236 PolarHBondContact N-O 3.08Å
26C98.5Very high97.4Very high1 Ų140.7 Ų40.71%0.00721%0.212CC..  trans-103.2-59.4-176.7-58.70000113.5V29 L30 W31C26-V29 PolarHBondContact O-N 2.66Å; C26-L30 PolarHBondContact O-N 2.82Å; C26-W31 HydrophobicContact CB-CH2 4.3Å; C26-W31 HydrophobicContact CB-CZ2 3.79Å; C26-W31 PolarHBondContact O-N 3.18Å
27D98Very high97.5Very high54 Ų5441 Ų4129%0.28921%0.214SC..BIsolated β-bridgetrans-83119.6-168.9-69.9-44000109.1D25 V29 W31 N60D25-D27 PolarHBondContact OD2-N 3.13Å; D25-D27 VanDerWaalsContact OD2-O 3.05Å; D27-V29 VanDerWaalsContact C-N 3.29Å; D27-W31 PolarHBondContact OD1-NE1 3.34Å; D27-N60 WeakPolarHBondContact OD2-CB 3.49Å; D27-N60 PolarHBondContact OD2-ND2 3.46Å
28G97.6Very high97.6Very high4 Ų442.8 Ų42.84%0.04122%0.216CC..THydrogen-bonded Turntrans90.9-13.4-17200000113.7W31 T259G28-W31 PolarHBondContact N-O 2.8Å; G28-T259 CarbonylContact O-C 3.48Å; G28-T259 VanDerWaalsContact O-CB 3.31Å; G28-T259 WeakPolarHBondContact O-CB 3.42Å; G28-T259 PolarHBondContact O-OG1 2.79Å
29V98.7Very high97.6Very high0 Ų035.2 Ų35.20%020%0.195CC..THydrogen-bonded Turntrans-108.9-57.4-180179.10000112.2F24 D25 C26 D27 V37 V236 D238 T257 I287F24-V29 HydrophobicContact CD1-CG1 4.12Å; D25-V29 HydrophobicContact CB-CG2 3.83Å; D25-V29 WeakPolarHBondContact O-CB 3.13Å; D25-V29 WeakPolarHBondContact O-CG1 3.3Å; C26-V29 PolarHBondContact O-N 2.66Å; D27-V29 VanDerWaalsContact C-N 3.29Å; V29-V37 VanDerWaalsContact O-CG2 3.3Å; V29-V37 WeakPolarHBondContact O-CG2 3.32Å; V29-V236 HydrophobicContact CG1-CG1 4.23Å; V29-D238 HydrophobicContact CG2-CB 3.92Å; V29-T257 HydrophobicContact CB-CG2 4.18Å; V29-T257 HydrophobicContact CG1-CG2 4.09Å; V29-T257 HydrophobicContact CG2-CG2 3.71Å; V29-I287 HydrophobicContact CG1-CD1 4.19Å; V29-I287 HydrophobicContact CG1-CG2 3.79Å; V29-I287 WeakPolarHBondContact O-CD1 3.41Å
30L98.7Very high97.6Very high0 Ų035 Ų350%019%0.194CC..THydrogen-bonded Turntrans-91-29.6-179.7-60.6179.2000111.6F24 C26 A36 V37 F56 F72 F77 I287F24-L30 HydrophobicContact CD1-CD2 4.43Å; C26-L30 PolarHBondContact O-N 2.82Å; L30-A36 WeakPolarHBondContact O-CA 3.35Å; L30-V37 PolarHBondContact O-N 2.89Å; L30-F56 HydrophobicContact CD1-CD1 3.71Å; L30-F56 HydrophobicContact CD1-CE1 3.94Å; L30-F72 HydrophobicContact CD1-CE1 3.47Å; L30-F72 VanDerWaalsContact CD1-CE1 3.47Å; L30-F72 HydrophobicContact CD1-CZ 3.71Å; L30-F77 HydrophobicContact CB-CE1 4.39Å; L30-F77 HydrophobicContact CB-CZ 3.93Å; L30-F77 HydrophobicContact CD2-CE1 4.26Å; L30-F77 WeakPolarHBondContact O-CZ 3.48Å; L30-I287 HydrophobicContact CD2-CD1 3.61Å
31W98.2Very high97.7Very high2 Ų232.2 Ų32.21%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-153.7157.5178.751.867.6000112C26 D27 G28 R35 L68 R71 F72 L75 F77C26-W31 HydrophobicContact CB-CH2 4.3Å; C26-W31 HydrophobicContact CB-CZ2 3.79Å; C26-W31 PolarHBondContact O-N 3.18Å; D27-W31 PolarHBondContact OD1-NE1 3.34Å; G28-W31 PolarHBondContact N-O 2.8Å; W31-R35 CarbonylContact C-O 3.45Å; W31-R35 WeakPolarHBondContact CA-O 3.41Å; W31-R35 VanDerWaalsContact CB-O 3.24Å; W31-R35 WeakPolarHBondContact CB-O 3.02Å; W31-L68 HydrophobicContact CH2-CD1 4.35Å; W31-L68 HydrophobicContact CZ2-CD1 4.3Å; W31-R71 HydrophobicContact CH2-CG 4.44Å; W31-F72 HydrophobicContact CH2-CD1 4.18Å; W31-F72 AromaticContact CH2-CD2 3.7Å; W31-F72 HydrophobicContact CH2-CD2 3.7Å; W31-F72 HydrophobicContact CH2-CE1 4.01Å; W31-F72 AromaticContact CH2-CE2 3.45Å; W31-F72 HydrophobicContact CH2-CE2 3.45Å; W31-F72 VanDerWaalsContact CH2-CE2 3.45Å; W31-F72 HydrophobicContact CH2-CG 4.07Å; W31-F72 AromaticContact CH2-CZ 3.62Å; W31-F72 HydrophobicContact CH2-CZ 3.62Å; W31-F72 HydrophobicContact CZ2-CE2 4.48Å; W31-F72 AromaticContact CZ3-CD1 3.82Å; W31-F72 HydrophobicContact CZ3-CD1 3.82Å; W31-F72 HydrophobicContact CZ3-CD2 4.13Å; W31-F72 AromaticContact CZ3-CE1 3.81Å; W31-F72 HydrophobicContact CZ3-CE1 3.81Å; W31-F72 HydrophobicContact CZ3-CE2 4.07Å; W31-F72 HydrophobicContact CZ3-CG 4.01Å; W31-F72 AromaticContact CZ3-CZ 3.92Å; W31-F72 HydrophobicContact CZ3-CZ 3.92Å; W31-L75 HydrophobicContact CB-CD1 4.09Å; W31-L75 HydrophobicContact CD2-CD1 3.62Å; W31-L75 HydrophobicContact CE3-CD1 3.44Å; W31-L75 VanDerWaalsContact CE3-CD1 3.44Å; W31-L75 HydrophobicContact CG-CD1 3.92Å; W31-L75 HydrophobicContact CZ3-CD1 4.05Å; W31-F77 HydrophobicContact CE3-CD2 4.33Å; W31-F77 AromaticContact CE3-CE2 3.67Å; W31-F77 HydrophobicContact CE3-CE2 3.67Å; W31-F77 HydrophobicContact CE3-CZ 4.26Å; W31-F77 HydrophobicContact CZ3-CD2 4.2Å; W31-F77 AromaticContact CZ3-CE2 3.98Å; W31-F77 HydrophobicContact CZ3-CE2 3.98Å
32N96.4Very high97.6Very high80 Ų8036.6 Ų36.643%0.42820%0.203SC..EExtended strand (participates in β ladder)trans-118.9110.4166.7-80.4-63.3000108.5E34 R35 T259N32-E34 PolarHBondContact O-N 3.25Å; N32-R35 PolarHBondContact N-O 3.36Å; N32-R35 PolarHBondContact O-N 3.48Å; N32-T259 PolarHBondContact ND2-O 2.96Å
33G94Very high97.6Very high43 Ų4336.5 Ų36.544%0.44320%0.202SC..THydrogen-bonded Turntrans57.3-127.2-169.800000110.9R35 R71G33-R35 VanDerWaalsContact C-N 3.32Å; G33-R35 PolarHBondContact O-N 3.2Å; G33-R71 PolarHBondContact O-NH2 3.19Å
34E94.6Very high97.5Very high105 Ų10537 Ų3749%0.49121%0.205SC..THydrogen-bonded Turntrans-88.910.3-178.7-63-57.7123.600114.4N32 R71 R74 L75N32-E34 PolarHBondContact O-N 3.25Å; E34-R71 IonicContact OE1-CZ 3.98Å; E34-R71 VanDerWaalsContact OE1-CZ 3.26Å; E34-R71 IonicContact OE1-NH1 2.92Å; E34-R71 PolarHBondContact OE1-NH1 3.45Å; E34-R71 IonicContact OE1-NH2 3.91Å; E34-R71 PolarHBondContact OE1-NH2 3.47Å; E34-R71 IonicContact OE2-NH1 3.39Å; E34-R71 PolarHBondContact OE2-NH1 3.44Å; E34-R74 IonicContact OE1-NH2 2.85Å; E34-R74 IonicContact OE2-CZ 2.79Å; E34-R74 IonicContact OE2-NH1 3.38Å; E34-R74 PolarHBondContact OE2-NH1 2.83Å; E34-R74 IonicContact OE2-NH2 3.63Å; E34-R74 PolarHBondContact OE2-NH2 2.94Å; E34-L75 WeakPolarHBondContact O-CD2 3.5Å
35R94.6Very high97.4Very high188 Ų18841.8 Ų41.871%0.70923%0.227SC*.EExtended strand (participates in β ladder)trans-114.1119.5-178.9-172.9178.3179.1-171.70.1110.7W31 N32 G33W31-R35 CarbonylContact C-O 3.45Å; W31-R35 WeakPolarHBondContact CA-O 3.41Å; W31-R35 VanDerWaalsContact CB-O 3.24Å; W31-R35 WeakPolarHBondContact CB-O 3.02Å; N32-R35 PolarHBondContact N-O 3.36Å; N32-R35 PolarHBondContact O-N 3.48Å; G33-R35 VanDerWaalsContact C-N 3.32Å; G33-R35 PolarHBondContact O-N 3.2Å
36A98.1Very high97.3Very high25 Ų2542.5 Ų42.521%0.20723%0.229CC..EExtended strand (participates in β ladder)trans-60.4142.3169.600000110.7L30 F77L30-A36 WeakPolarHBondContact O-CA 3.35Å; A36-F77 HydrophobicContact CB-CE2 4.07Å; A36-F77 HydrophobicContact CB-CZ 4.18Å
37V98.4Very high97.3Very high7 Ų742.5 Ų42.54%0.04223%0.229CC..PPolyproline II helixtrans-62.7127.8169.4170.90000107.6V29 L30 G39 A40 T259 S286V29-V37 VanDerWaalsContact O-CG2 3.3Å; V29-V37 WeakPolarHBondContact O-CG2 3.32Å; L30-V37 PolarHBondContact O-N 2.89Å; V37-G39 PolarHBondContact O-N 3.45Å; V37-A40 HydrophobicContact CB-CB 4.12Å; V37-A40 WeakPolarHBondContact O-CB 3.23Å; V37-A40 PolarHBondContact O-N 2.95Å; V37-T259 HydrophobicContact CG1-CG2 4.04Å; V37-T259 HydrophobicContact CG2-CG2 4.38Å; V37-S286 VanDerWaalsContact CG1-OG 3.31Å; V37-S286 WeakPolarHBondContact CG1-OG 3.5Å
38P98.3Very high97.2Very high90 Ų9043.2 Ų43.258%0.58424%0.242SC*.THydrogen-bonded Turntrans-53.3131.3179.6-27.335.5000111.6A40 A288P38-A40 VanDerWaalsContact C-N 3.29Å; P38-A40 PolarHBondContact O-N 3.42Å; P38-A288 WeakPolarHBondContact O-CB 3.34Å
39G97.8Very high97.1Very high26 Ų2650 Ų5027%0.26827%0.267SS..THydrogen-bonded Turntrans82.5-9.5-177.900000115.5V37 E42 L43V37-G39 PolarHBondContact O-N 3.45Å; G39-E42 PolarHBondContact O-N 3.39Å; G39-L43 PolarHBondContact O-N 3.09Å
40A98.3Very high97Very high0 Ų052.3 Ų52.30%029%0.286CS..Hα-helixtrans-62.6-43.7-178.700000113.9V37 P38 L43 L44 F77 I287V37-A40 HydrophobicContact CB-CB 4.12Å; V37-A40 WeakPolarHBondContact O-CB 3.23Å; V37-A40 PolarHBondContact O-N 2.95Å; P38-A40 VanDerWaalsContact C-N 3.29Å; P38-A40 PolarHBondContact O-N 3.42Å; A40-L43 PolarHBondContact O-N 3.18Å; A40-L44 PolarHBondContact O-N 3.4Å; A40-F77 HydrophobicContact CB-CE1 3.72Å; A40-F77 HydrophobicContact CB-CZ 3.85Å; A40-I287 HydrophobicContact CB-CD1 3.71Å; A40-I287 HydrophobicContact CB-CG1 4.28Å
41P97.8Very high96.8Very high30 Ų3055.6 Ų55.620%0.19532%0.32CS..Hα-helixtrans-60.9-44.9175-26.136.4000113.1L43 L44 E45 F77P41-L43 VanDerWaalsContact C-N 3.32Å; P41-L43 PolarHBondContact O-N 2.91Å; P41-L44 PolarHBondContact O-N 2.79Å; P41-E45 PolarHBondContact O-N 3.13Å; P41-F77 HydrophobicContact CB-CD1 4.12Å; P41-F77 HydrophobicContact CB-CE1 4.33Å; P41-F77 HydrophobicContact CG-CD1 3.99Å; P41-F77 HydrophobicContact CG-CE1 3.83Å; P41-F77 HydrophobicContact CG-CE2 4.41Å; P41-F77 HydrophobicContact CG-CG 4.41Å; P41-F77 HydrophobicContact CG-CZ 4.04Å
42E97Very high96.7Very high98 Ų9856.9 Ų56.946%0.45833%0.325SS..Hα-helixtrans-60.2-41.9178.7-176-172.5164.200111.7G39 L44 E45 R46G39-E42 PolarHBondContact O-N 3.39Å; E42-L44 VanDerWaalsContact C-N 3.33Å; E42-L44 PolarHBondContact O-N 2.93Å; E42-E45 PolarHBondContact O-N 3.26Å; E42-R46 HydrophobicContact CG-CG 4.45Å; E42-R46 WeakPolarHBondContact O-CG 3.48Å; E42-R46 PolarHBondContact O-N 3.36Å
43L97.8Very high96.7Very high0 Ų055.9 Ų55.90%033%0.328CS..Hα-helixtrans-55.8-47.4175.817467.7000111.6F24 G39 A40 P41 E45 R46 L47 I287 L290 L294F24-L43 HydrophobicContact CE1-CD2 4.07Å; F24-L43 HydrophobicContact CZ-CD2 3.9Å; G39-L43 PolarHBondContact O-N 3.09Å; A40-L43 PolarHBondContact O-N 3.18Å; P41-L43 VanDerWaalsContact C-N 3.32Å; P41-L43 PolarHBondContact O-N 2.91Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-E45 PolarHBondContact O-N 3.18Å; L43-R46 PolarHBondContact O-N 2.85Å; L43-L47 HydrophobicContact CD1-CD1 4.24Å; L43-L47 HydrophobicContact CD1-CG 4.22Å; L43-L47 HydrophobicContact CG-CD1 4.04Å; L43-L47 HydrophobicContact CG-CG 4.42Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 3.47Å; L43-I287 HydrophobicContact CD2-CB 3.81Å; L43-I287 HydrophobicContact CD2-CD1 4.03Å; L43-I287 HydrophobicContact CD2-CG1 4.01Å; L43-I287 WeakPolarHBondContact CD2-O 3.43Å; L43-L290 HydrophobicContact CD1-CB 3.77Å; L43-L290 HydrophobicContact CD2-CB 4.44Å; L43-L290 HydrophobicContact CD2-CD1 4.28Å; L43-L294 HydrophobicContact CD1-CD1 4.22Å
44L97.6Very high96.9Very high14 Ų1454.4 Ų54.47%0.07331%0.311CS..Hα-helixtrans-65-39.2-178.5-62.5-168.7000111.8F24 A40 P41 E42 R46 L47 A48 F56 F77 L80F24-L44 HydrophobicContact CD2-CD2 4.06Å; F24-L44 HydrophobicContact CE2-CD2 3.69Å; F24-L44 HydrophobicContact CZ-CD2 4.19Å; A40-L44 PolarHBondContact O-N 3.4Å; P41-L44 PolarHBondContact O-N 2.79Å; E42-L44 VanDerWaalsContact C-N 3.33Å; E42-L44 PolarHBondContact O-N 2.93Å; L44-R46 VanDerWaalsContact C-N 3.34Å; L44-L47 HydrophobicContact CD2-CD1 4.31Å; L44-L47 PolarHBondContact O-N 3.33Å; L44-A48 PolarHBondContact O-N 3.41Å; L44-F56 HydrophobicContact CD1-CE1 3.67Å; L44-F56 HydrophobicContact CD1-CZ 3.69Å; L44-F56 HydrophobicContact CD2-CE1 4.12Å; L44-F56 HydrophobicContact CD2-CZ 4.22Å; L44-F77 HydrophobicContact CD1-CD1 3.54Å; L44-F77 HydrophobicContact CD1-CE1 4.12Å; L44-F77 HydrophobicContact CD1-CG 4.45Å; L44-F77 HydrophobicContact CG-CD1 4.28Å; L44-L80 HydrophobicContact CD1-CD1 4.2Å
45E96.6Very high97.1Very high100 Ų10049.9 Ų49.947%0.46729%0.29SS..Hα-helixtrans-62.5-42174.7-68.5178.6-179.700111.7P41 E42 L43 A48 R49P41-E45 PolarHBondContact O-N 3.13Å; E42-E45 PolarHBondContact O-N 3.26Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-E45 PolarHBondContact O-N 3.18Å; E45-A48 PolarHBondContact O-N 3.14Å; E45-R49 PolarHBondContact O-N 2.82Å
46R96.8Very high97.3Very high25 Ų2541 Ų419%0.09426%0.257CS..Hα-helixtrans-69.1-38.3177.9-72.2-171.667178.7-0.4112.8E42 L43 L44 A48 R49 A50 T291 L294 E295 D296E42-R46 HydrophobicContact CG-CG 4.45Å; E42-R46 WeakPolarHBondContact O-CG 3.48Å; E42-R46 PolarHBondContact O-N 3.36Å; L43-R46 PolarHBondContact O-N 2.85Å; L44-R46 VanDerWaalsContact C-N 3.34Å; R46-A48 VanDerWaalsContact C-N 3.33Å; R46-A48 PolarHBondContact O-N 3.13Å; R46-R49 VanDerWaalsContact CG-NH2 3.3Å; R46-R49 PolarHBondContact O-N 3.02Å; R46-A50 WeakPolarHBondContact O-CB 3.23Å; R46-A50 PolarHBondContact O-N 3.33Å; R46-T291 PolarHBondContact NH1-O 3.09Å; R46-T291 PolarHBondContact NH2-O 2.94Å; R46-L294 HydrophobicContact CB-CD1 3.71Å; R46-L294 VanDerWaalsContact NH2-C 3.28Å; R46-L294 PolarHBondContact NH2-O 2.83Å; R46-E295 PolarHBondContact NH2-O 3.49Å; R46-E295 VanDerWaalsContact NH2-O 3.09Å; R46-D296 IonicContact CZ-OD1 2.75Å; R46-D296 IonicContact NE-OD1 2.75Å; R46-D296 IonicContact NH1-OD1 3.82Å; R46-D296 IonicContact NH2-OD1 3.69Å; R46-D296 PolarHBondContact NH2-OD1 3.5Å
47L97Very high97.3Very high2 Ų239.8 Ų39.81%0.0125%0.247CC..Hα-helixtrans-60.3-44.4172.4-74.7171.7000111.3L16 V22 F24 L43 L44 A50 G51 K52 L294L16-L47 HydrophobicContact CD2-CD2 4.45Å; V22-L47 HydrophobicContact CG2-CD1 4.32Å; V22-L47 HydrophobicContact CG2-CD2 4.25Å; F24-L47 HydrophobicContact CE2-CD1 3.66Å; F24-L47 HydrophobicContact CZ-CD1 3.69Å; L43-L47 HydrophobicContact CD1-CD1 4.24Å; L43-L47 HydrophobicContact CD1-CG 4.22Å; L43-L47 HydrophobicContact CG-CD1 4.04Å; L43-L47 HydrophobicContact CG-CG 4.42Å; L43-L47 WeakPolarHBondContact O-CG 3.47Å; L43-L47 PolarHBondContact O-N 3.47Å; L44-L47 HydrophobicContact CD2-CD1 4.31Å; L44-L47 PolarHBondContact O-N 3.33Å; L47-A50 CarbonylContact O-C 3.58Å; L47-A50 PolarHBondContact O-N 3.01Å; L47-G51 PolarHBondContact O-N 3.29Å; L47-K52 HydrophobicContact CB-CB 4.4Å; L47-K52 HydrophobicContact CD2-CB 4.11Å; L47-K52 HydrophobicContact CD2-CD 3.81Å; L47-K52 PolarHBondContact O-N 2.96Å; L47-L294 HydrophobicContact CD2-CD1 3.86Å; L47-L294 HydrophobicContact CD2-CD2 4.17Å; L47-L294 HydrophobicContact CG-CD1 4.04Å
48A95.9Very high97.4Very high69 Ų6939.6 Ų39.657%0.5725%0.246SC*.Hα-helixtrans-62.5-44.8176.800000111.9L44 E45 R46 A50 G51L44-A48 PolarHBondContact O-N 3.41Å; E45-A48 PolarHBondContact O-N 3.14Å; R46-A48 VanDerWaalsContact C-N 3.33Å; R46-A48 PolarHBondContact O-N 3.13Å; A48-A50 VanDerWaalsContact C-N 3.29Å; A48-A50 PolarHBondContact O-N 3.23Å; A48-G51 PolarHBondContact O-N 3.22Å
49R96Very high97.4Very high147 Ų14735.6 Ų35.656%0.55522%0.22SC*.Hα-helixtrans-59-39174-79-168.4-77.6156.8-16.2112.6E45 R46 G51 D296E45-R49 PolarHBondContact O-N 2.82Å; R46-R49 VanDerWaalsContact CG-NH2 3.3Å; R46-R49 PolarHBondContact O-N 3.02Å; R49-G51 PolarHBondContact O-N 3.31Å; R49-D296 PolarHBondContact NH1-OXT 3.49Å
50A96.3Very high97.3Very high48 Ų4836 Ų3640%0.39722%0.216SC..THydrogen-bonded Turntrans-76.66.6176.400000114R46 L47 A48 K52 L294R46-A50 WeakPolarHBondContact O-CB 3.23Å; R46-A50 PolarHBondContact O-N 3.33Å; L47-A50 CarbonylContact O-C 3.58Å; L47-A50 PolarHBondContact O-N 3.01Å; A48-A50 VanDerWaalsContact C-N 3.29Å; A48-A50 PolarHBondContact O-N 3.23Å; A50-K52 VanDerWaalsContact C-N 3.27Å; A50-K52 HydrophobicContact CB-CG 4.35Å; A50-K52 PolarHBondContact O-N 3.15Å; A50-L294 HydrophobicContact CB-CD2 4.09Å
51G95.7Very high97.3Very high69 Ų6936.1 Ų36.171%0.71122%0.217SC*.THydrogen-bonded Turntrans68.522.717900000114.1L47 A48 R49L47-G51 PolarHBondContact O-N 3.29Å; A48-G51 PolarHBondContact O-N 3.22Å; R49-G51 PolarHBondContact O-N 3.31Å
52K96.7Very high97.2Very high29 Ų2939.8 Ų39.813%0.12623%0.227CC..  trans-95.2128179-60.1-173.6-173-60.30110.1L16 A19 Q20 L47 A50 L294L16-K52 WeakPolarHBondContact O-CE 3.43Å; L16-K52 PolarHBondContact O-NZ 3.13Å; A19-K52 PolarHBondContact O-NZ 3.36Å; Q20-K52 WeakPolarHBondContact O-CA 3.48Å; L47-K52 HydrophobicContact CB-CB 4.4Å; L47-K52 HydrophobicContact CD2-CB 4.11Å; L47-K52 HydrophobicContact CD2-CD 3.81Å; L47-K52 PolarHBondContact O-N 2.96Å; A50-K52 VanDerWaalsContact C-N 3.27Å; A50-K52 HydrophobicContact CB-CG 4.35Å; A50-K52 PolarHBondContact O-N 3.15Å; K52-L294 HydrophobicContact CD-CD2 4.23Å
53A96.5Very high97.1Very high59 Ų5938 Ų3849%0.48822%0.216SC..EExtended strand (participates in β ladder)trans-67.3140.8176.200000110.7Q20 G21 V22Q20-A53 PolarHBondContact O-N 3.39Å; G21-A53 CarbonylContact C-O 3.55Å; G21-A53 WeakPolarHBondContact CA-O 3.02Å; V22-A53 PolarHBondContact N-O 3.4Å
54A97.9Very high97.1Very high11 Ų1138.2 Ų38.29%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-122.9128.4172.300000109.7V22 F56 Q84V22-A54 WeakPolarHBondContact O-CA 3.34Å; A54-F56 HydrophobicContact CB-CE2 4.26Å; A54-F56 HydrophobicContact CB-CZ 3.93Å; A54-Q84 PolarHBondContact O-NE2 3.25Å
55L98.6Very high97.1Very high10 Ų1040.9 Ų40.95%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-128.1152.9173.8-63.8175.7000109.6V22 L23 F24 Q84 F86 I222 F226 I228V22-L55 PolarHBondContact O-N 2.93Å; L23-L55 WeakPolarHBondContact CA-O 3.2Å; L23-L55 HydrophobicContact CD1-CB 3.95Å; L23-L55 HydrophobicContact CD1-CD1 4.12Å; L23-L55 HydrophobicContact CD1-CG 4.5Å; L23-L55 HydrophobicContact CG-CB 4.2Å; F24-L55 PolarHBondContact N-O 3.26Å; L55-Q84 HydrophobicContact CD2-CB 3.88Å; L55-Q84 HydrophobicContact CD2-CG 4.03Å; L55-F86 HydrophobicContact CD2-CE2 4.31Å; L55-I222 HydrophobicContact CD1-CG2 3.71Å; L55-F226 HydrophobicContact CD1-CB 4.25Å; L55-F226 HydrophobicContact CD1-CD2 4.04Å; L55-F226 HydrophobicContact CD1-CG 4.11Å; L55-F226 HydrophobicContact CD2-CD1 4.4Å; L55-F226 HydrophobicContact CD2-CD2 3.95Å; L55-F226 HydrophobicContact CD2-CE1 4.23Å; L55-F226 HydrophobicContact CD2-CE2 3.77Å; L55-F226 HydrophobicContact CD2-CG 4.28Å; L55-F226 HydrophobicContact CD2-CZ 3.91Å; L55-I228 HydrophobicContact CD1-CD1 3.5Å; L55-I228 VanDerWaalsContact CD1-CD1 3.5Å; L55-I228 HydrophobicContact CD1-CG1 4.36Å
56F98.8Very high97.2Very high1 Ų139.8 Ų39.80%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-123.5120.8-169.8-54.2-83.9000109.2F24 L30 L44 A54 F72 L80 Q84 L85 F86F24-F56 HydrophobicContact CB-CD1 4.11Å; F24-F56 HydrophobicContact CB-CE1 4.35Å; F24-F56 HydrophobicContact CD2-CE1 4.26Å; F24-F56 CarbonylContact O-C 3.53Å; F24-F56 WeakPolarHBondContact O-CA 3.43Å; L30-F56 HydrophobicContact CD1-CD1 3.71Å; L30-F56 HydrophobicContact CD1-CE1 3.94Å; L44-F56 HydrophobicContact CD1-CE1 3.67Å; L44-F56 HydrophobicContact CD1-CZ 3.69Å; L44-F56 HydrophobicContact CD2-CE1 4.12Å; L44-F56 HydrophobicContact CD2-CZ 4.22Å; A54-F56 HydrophobicContact CB-CE2 4.26Å; A54-F56 HydrophobicContact CB-CZ 3.93Å; F56-F72 HydrophobicContact CB-CZ 3.98Å; F56-F72 AromaticContact CD1-CE1 3.68Å; F56-F72 HydrophobicContact CD1-CE1 3.68Å; F56-F72 AromaticContact CD1-CZ 3.59Å; F56-F72 HydrophobicContact CD1-CZ 3.59Å; F56-F72 HydrophobicContact CD2-CZ 4.46Å; F56-F72 AromaticContact CE1-CE1 3.87Å; F56-F72 HydrophobicContact CE1-CE1 3.87Å; F56-F72 HydrophobicContact CE1-CZ 4.25Å; F56-F72 HydrophobicContact CG-CE1 4.1Å; F56-F72 AromaticContact CG-CZ 3.7Å; F56-F72 HydrophobicContact CG-CZ 3.7Å; F56-F72 HydrophobicContact CZ-CE1 4.47Å; F56-L80 HydrophobicContact CD2-CD2 4.27Å; F56-L80 HydrophobicContact CE2-CD1 4.21Å; F56-L80 HydrophobicContact CE2-CD2 3.23Å; F56-L80 HydrophobicContact CE2-CG 4.35Å; F56-L80 HydrophobicContact CZ-CD1 4.1Å; F56-L80 HydrophobicContact CZ-CD2 3.46Å; F56-L80 VanDerWaalsContact CZ-CD2 3.46Å; F56-L80 HydrophobicContact CZ-CG 4.44Å; F56-Q84 HydrophobicContact CD2-CB 3.99Å; F56-Q84 HydrophobicContact CE2-CB 4.18Å; F56-Q84 PolarHBondContact N-O 2.95Å; F56-L85 HydrophobicContact CB-CD2 3.79Å; F56-L85 HydrophobicContact CD2-CD2 3.63Å; F56-L85 HydrophobicContact CG-CD2 3.87Å; F56-F86 WeakPolarHBondContact O-CA 3.48Å; F56-F86 PolarHBondContact O-N 3.23Å
57V98.7Very high97.2Very high0 Ų043 Ų430%024%0.244CC..EExtended strand (participates in β ladder)trans-115.2132.8-179-70.70000109.3L23 F24 D25 F86 K213 M218 I222 M235L23-V57 HydrophobicContact CD2-CG1 4.11Å; L23-V57 HydrophobicContact CG-CG1 4.42Å; F24-V57 WeakPolarHBondContact O-CG2 3.34Å; F24-V57 PolarHBondContact O-N 2.7Å; D25-V57 VanDerWaalsContact CA-O 3.29Å; D25-V57 WeakPolarHBondContact CA-O 3.43Å; D25-V57 VanDerWaalsContact OD1-O 3.12Å; V57-F86 CarbonylContact C-O 3.43Å; V57-F86 VanDerWaalsContact CA-O 3.32Å; V57-F86 WeakPolarHBondContact CA-O 3.41Å; V57-F86 HydrophobicContact CG1-CB 4.3Å; V57-K213 HydrophobicContact CB-CD 4.26Å; V57-K213 HydrophobicContact CG2-CD 3.93Å; V57-K213 PolarHBondContact O-NZ 3.04Å; V57-M218 HydrophobicContact CB-SD 3.92Å; V57-M218 HydrophobicContact CG1-CG 4.48Å; V57-M218 HydrophobicContact CG1-SD 4.13Å; V57-I222 HydrophobicContact CG1-CD1 3.39Å; V57-I222 HydrophobicContact CG1-CG1 4.43Å; V57-M235 HydrophobicContact CG2-CE 3.88Å; V57-M235 HydrophobicContact CG2-SD 4.16Å
58S98.5Very high97.2Very high4 Ų443.5 Ų43.53%0.02825%0.247CC..EExtended strand (participates in β ladder)trans-144.8135-180-176.80000111.6N60 F86 S87 S88S58-N60 PolarHBondContact O-N 3.16Å; S58-N60 WeakPolarHBondContact OG-CB 3.49Å; S58-N60 PolarHBondContact OG-N 3.26Å; S58-N60 VanDerWaalsContact OG-N 3.08Å; S58-F86 PolarHBondContact N-O 3.05Å; S58-S87 CarbonylContact O-C 3.56Å; S58-S87 VanDerWaalsContact O-CA 3.26Å; S58-S87 WeakPolarHBondContact O-CA 3.46Å; S58-S88 PolarHBondContact O-N 2.83Å
59N98.7Very high97.3Very high6 Ų641.7 Ų41.73%0.03223%0.231CC..  trans-78.3-4.4169.3-80.1-5.2000112.6S61 S88 D177 D179 G212 K213N59-S61 PolarHBondContact O-N 3.04Å; N59-S61 VanDerWaalsContact O-N 3.1Å; N59-S88 VanDerWaalsContact C-OG 3.25Å; N59-S88 PolarHBondContact O-OG 2.79Å; N59-D177 HydrophobicContact CB-CB 3.78Å; N59-D179 PolarHBondContact ND2-OD1 3.27Å; N59-G212 WeakPolarHBondContact OD1-CA 3.33Å; N59-K213 PolarHBondContact ND2-O 2.98Å; N59-K213 PolarHBondContact OD1-N 2.92Å
60N96.3Very high97.3Very high35 Ų3540.6 Ų40.619%0.18724%0.236CC..  trans-68108.7178.5-165.1-35.9000111.5D27 S58 R62D27-N60 WeakPolarHBondContact OD2-CB 3.49Å; D27-N60 PolarHBondContact OD2-ND2 3.46Å; S58-N60 PolarHBondContact O-N 3.16Å; S58-N60 WeakPolarHBondContact OG-CB 3.49Å; S58-N60 PolarHBondContact OG-N 3.26Å; S58-N60 VanDerWaalsContact OG-N 3.08Å; N60-R62 WeakPolarHBondContact OD1-CB 3.4Å; N60-R62 VanDerWaalsContact OD1-CG 3.3Å; N60-R62 WeakPolarHBondContact OD1-CG 3.31Å; N60-R62 PolarHBondContact OD1-N 3.03Å
61S97.3Very high97.3Very high2 Ų238.7 Ų38.71%0.01422%0.219CC..  trans-92.19.6-179.651.30000114N59 Y150N59-S61 PolarHBondContact O-N 3.04Å; N59-S61 VanDerWaalsContact O-N 3.1Å; S61-Y150 WeakPolarHBondContact OG-CB 3.42Å; S61-Y150 PolarHBondContact OG-N 3.12Å
62R96.9Very high97.4Very high106 Ų10635.5 Ų35.540%0.419%0.185SC..SBendtrans-82.2-24.8-174.5-59.6-17974.1178.612.5114.8N60 G117 Y150 E152N60-R62 WeakPolarHBondContact OD1-CB 3.4Å; N60-R62 VanDerWaalsContact OD1-CG 3.3Å; N60-R62 WeakPolarHBondContact OD1-CG 3.31Å; N60-R62 PolarHBondContact OD1-N 3.03Å; R62-G117 WeakPolarHBondContact O-CA 3.36Å; R62-Y150 HydrophobicContact CG-CD1 3.55Å; R62-Y150 HydrophobicContact CG-CE1 4.08Å; R62-Y150 HydrophobicContact CG-CG 4.22Å; R62-E152 IonicContact CZ-OE1 3.25Å; R62-E152 IonicContact CZ-OE2 2.79Å; R62-E152 VanDerWaalsContact NH2-CD 3.26Å; R62-E152 IonicContact NH2-OE1 2.63Å; R62-E152 PolarHBondContact NH2-OE1 3.34Å; R62-E152 IonicContact NH2-OE2 3.66Å; R62-E152 PolarHBondContact NH2-OE2 2.73Å
63R95.4Very high97.4Very high62 Ų6237.2 Ų37.223%0.23421%0.205CC..SBendtrans-119.9133.3-174.1-62.2-174.1-173.187.82.5109.9E67 L68 R71R63-E67 HydrophobicContact CB-CB 4.3Å; R63-L68 HydrophobicContact CB-CB 4.42Å; R63-R71 VanDerWaalsContact NH2-NH1 3.14Å
64A97.5Very high97.5Very high3 Ų341.7 Ų41.73%0.02521%0.209CC..  trans-70.6163.2164.400000110.3P66 E67 L68 G117 A120 E121A64-P66 VanDerWaalsContact C-CD 3.46Å; A64-E67 WeakPolarHBondContact CB-OE2 3.33Å; A64-E67 PolarHBondContact O-N 3.13Å; A64-L68 PolarHBondContact O-N 3.46Å; A64-G117 WeakPolarHBondContact CB-O 3.38Å; A64-A120 HydrophobicContact CB-CB 4.09Å; A64-E121 VanDerWaalsContact C-OE2 3.27Å; A64-E121 WeakPolarHBondContact CA-OE2 3.47Å; A64-E121 HydrophobicContact CB-CB 4.19Å; A64-E121 WeakPolarHBondContact CB-OE2 3.38Å
65R98.2Very high97.5Very high71 Ų7142.2 Ų42.227%0.26821%0.21SC..Hα-helixtrans-57.4-40.2-173.1-167.7173.267.5157.30.8113.3L68 A69 A82 L85 E121R65-L68 PolarHBondContact O-N 3.12Å; R65-A69 WeakPolarHBondContact O-CB 3.4Å; R65-A69 PolarHBondContact O-N 2.98Å; R65-A82 VanDerWaalsContact CD-O 3.31Å; R65-A82 WeakPolarHBondContact CD-O 3.38Å; R65-A82 HydrophobicContact CG-CB 4.38Å; R65-L85 HydrophobicContact CG-CB 4.26Å; R65-E121 PolarHBondContact N-OE2 3.37Å
66P97.5Very high97.4Very high77 Ų7743.9 Ų43.950%0.523%0.229SC..Hα-helixtrans-60.9-45.7174.4-2335.4000112.8A64 L68 A69 L70A64-P66 VanDerWaalsContact C-CD 3.46Å; P66-L68 VanDerWaalsContact C-N 3.34Å; P66-L68 PolarHBondContact O-N 3.38Å; P66-A69 PolarHBondContact O-N 3.33Å; P66-L70 WeakPolarHBondContact O-CG 3.39Å; P66-L70 PolarHBondContact O-N 3.48Å
67E96.8Very high97.3Very high93 Ų9344.1 Ų44.144%0.43523%0.23SC..Hα-helixtrans-69.3-34-179.8-6573.2-162.800111.6R63 A64 L70 R71R63-E67 HydrophobicContact CB-CB 4.3Å; A64-E67 WeakPolarHBondContact CB-OE2 3.33Å; A64-E67 PolarHBondContact O-N 3.13Å; E67-L70 PolarHBondContact O-N 3.29Å; E67-R71 PolarHBondContact O-N 3.42Å
68L97Very high96.9Very high12 Ų1246.2 Ų46.26%0.06325%0.252CS..Hα-helixtrans-65.3-44.5172.4-17559000111W31 R63 A64 R65 P66 L70 R71 F72 L85W31-L68 HydrophobicContact CH2-CD1 4.35Å; W31-L68 HydrophobicContact CZ2-CD1 4.3Å; R63-L68 HydrophobicContact CB-CB 4.42Å; A64-L68 PolarHBondContact O-N 3.46Å; R65-L68 PolarHBondContact O-N 3.12Å; P66-L68 VanDerWaalsContact C-N 3.34Å; P66-L68 PolarHBondContact O-N 3.38Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.01Å; L68-R71 WeakPolarHBondContact O-CB 3.45Å; L68-R71 PolarHBondContact O-N 2.99Å; L68-R71 VanDerWaalsContact O-N 3.09Å; L68-F72 HydrophobicContact CD1-CD2 4.27Å; L68-F72 HydrophobicContact CD1-CE2 4.06Å; L68-F72 HydrophobicContact CG-CD2 4.2Å; L68-F72 HydrophobicContact CG-CE2 4.05Å; L68-F72 WeakPolarHBondContact O-CD2 3.41Å; L68-F72 PolarHBondContact O-N 3.18Å; L68-L85 HydrophobicContact CB-CD1 4.37Å; L68-L85 HydrophobicContact CD2-CB 4.2Å; L68-L85 HydrophobicContact CD2-CD1 4.38Å; L68-L85 HydrophobicContact CG-CD1 4.11Å
69A97.5Very high96.6Very high30 Ų3050.1 Ų50.125%0.24829%0.293CS..Hα-helixtrans-60.4-42.2175.500000112.2R65 P66 R71 F72 A73 A82 L85R65-A69 WeakPolarHBondContact O-CB 3.4Å; R65-A69 PolarHBondContact O-N 2.98Å; P66-A69 PolarHBondContact O-N 3.33Å; A69-R71 VanDerWaalsContact C-N 3.29Å; A69-R71 PolarHBondContact O-N 3.3Å; A69-F72 PolarHBondContact O-N 3.19Å; A69-A73 PolarHBondContact O-N 3.08Å; A69-A73 VanDerWaalsContact O-N 3.12Å; A69-A82 HydrophobicContact CB-CB 4.18Å; A69-L85 HydrophobicContact CB-CD1 3.74Å
70L96.6Very high96.4Very high124 Ų12452.1 Ų52.165%0.64930%0.303SS*.Hα-helixtrans-62.5-35.2173.8-71.2173.1000112.4P66 E67 L68 R74P66-L70 WeakPolarHBondContact O-CG 3.39Å; P66-L70 PolarHBondContact O-N 3.48Å; E67-L70 PolarHBondContact O-N 3.29Å; L68-L70 VanDerWaalsContact C-N 3.34Å; L68-L70 PolarHBondContact O-N 3.01Å; L70-R74 VanDerWaalsContact O-CB 3.3Å; L70-R74 WeakPolarHBondContact O-CB 3.27Å; L70-R74 PolarHBondContact O-N 2.93Å
71R97.2Very high96.3Very high9 Ų958 Ų583%0.03432%0.323CS..Hα-helixtrans-63.3-47.6174.2-180-177-169.778-4.9111.6W31 G33 E34 R63 E67 L68 A69 A73 R74 L75W31-R71 HydrophobicContact CH2-CG 4.44Å; G33-R71 PolarHBondContact O-NH2 3.19Å; E34-R71 IonicContact OE1-CZ 3.98Å; E34-R71 VanDerWaalsContact OE1-CZ 3.26Å; E34-R71 IonicContact OE1-NH1 2.92Å; E34-R71 PolarHBondContact OE1-NH1 3.45Å; E34-R71 IonicContact OE1-NH2 3.91Å; E34-R71 PolarHBondContact OE1-NH2 3.47Å; E34-R71 IonicContact OE2-NH1 3.39Å; E34-R71 PolarHBondContact OE2-NH1 3.44Å; R63-R71 VanDerWaalsContact NH2-NH1 3.14Å; E67-R71 PolarHBondContact O-N 3.42Å; L68-R71 WeakPolarHBondContact O-CB 3.45Å; L68-R71 PolarHBondContact O-N 2.99Å; L68-R71 VanDerWaalsContact O-N 3.09Å; A69-R71 VanDerWaalsContact C-N 3.29Å; A69-R71 PolarHBondContact O-N 3.3Å; R71-A73 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 2.87Å; R71-R74 PolarHBondContact O-N 3.44Å; R71-L75 HydrophobicContact CG-CD1 3.84Å; R71-L75 HydrophobicContact CG-CG 4.33Å; R71-L75 WeakPolarHBondContact O-CB 3.35Å; R71-L75 WeakPolarHBondContact O-CG 3.35Å; R71-L75 PolarHBondContact O-N 3.07Å
72F98Very high96.3Very high2 Ų259.2 Ų59.21%0.00933%0.333CS..Hα-helixtrans-54.4-51.9176.1-89.7-90000110.8L30 W31 F56 L68 A69 R74 L75 G76 F77 L80 L85L30-F72 HydrophobicContact CD1-CE1 3.47Å; L30-F72 VanDerWaalsContact CD1-CE1 3.47Å; L30-F72 HydrophobicContact CD1-CZ 3.71Å; W31-F72 HydrophobicContact CH2-CD1 4.18Å; W31-F72 AromaticContact CH2-CD2 3.7Å; W31-F72 HydrophobicContact CH2-CD2 3.7Å; W31-F72 HydrophobicContact CH2-CE1 4.01Å; W31-F72 AromaticContact CH2-CE2 3.45Å; W31-F72 HydrophobicContact CH2-CE2 3.45Å; W31-F72 VanDerWaalsContact CH2-CE2 3.45Å; W31-F72 HydrophobicContact CH2-CG 4.07Å; W31-F72 AromaticContact CH2-CZ 3.62Å; W31-F72 HydrophobicContact CH2-CZ 3.62Å; W31-F72 HydrophobicContact CZ2-CE2 4.48Å; W31-F72 AromaticContact CZ3-CD1 3.82Å; W31-F72 HydrophobicContact CZ3-CD1 3.82Å; W31-F72 HydrophobicContact CZ3-CD2 4.13Å; W31-F72 AromaticContact CZ3-CE1 3.81Å; W31-F72 HydrophobicContact CZ3-CE1 3.81Å; W31-F72 HydrophobicContact CZ3-CE2 4.07Å; W31-F72 HydrophobicContact CZ3-CG 4.01Å; W31-F72 AromaticContact CZ3-CZ 3.92Å; W31-F72 HydrophobicContact CZ3-CZ 3.92Å; F56-F72 HydrophobicContact CB-CZ 3.98Å; F56-F72 AromaticContact CD1-CE1 3.68Å; F56-F72 HydrophobicContact CD1-CE1 3.68Å; F56-F72 AromaticContact CD1-CZ 3.59Å; F56-F72 HydrophobicContact CD1-CZ 3.59Å; F56-F72 HydrophobicContact CD2-CZ 4.46Å; F56-F72 AromaticContact CE1-CE1 3.87Å; F56-F72 HydrophobicContact CE1-CE1 3.87Å; F56-F72 HydrophobicContact CE1-CZ 4.25Å; F56-F72 HydrophobicContact CG-CE1 4.1Å; F56-F72 AromaticContact CG-CZ 3.7Å; F56-F72 HydrophobicContact CG-CZ 3.7Å; F56-F72 HydrophobicContact CZ-CE1 4.47Å; L68-F72 HydrophobicContact CD1-CD2 4.27Å; L68-F72 HydrophobicContact CD1-CE2 4.06Å; L68-F72 HydrophobicContact CG-CD2 4.2Å; L68-F72 HydrophobicContact CG-CE2 4.05Å; L68-F72 WeakPolarHBondContact O-CD2 3.41Å; L68-F72 PolarHBondContact O-N 3.18Å; A69-F72 PolarHBondContact O-N 3.19Å; F72-R74 PolarHBondContact O-N 3.25Å; F72-L75 PolarHBondContact O-N 3.48Å; F72-G76 PolarHBondContact O-N 2.96Å; F72-F77 HydrophobicContact CB-CB 4.18Å; F72-F77 HydrophobicContact CD1-CB 3.75Å; F72-F77 HydrophobicContact CD1-CD2 4.1Å; F72-F77 AromaticContact CD1-CG 3.89Å; F72-F77 HydrophobicContact CD1-CG 3.89Å; F72-F77 HydrophobicContact CG-CB 4.47Å; F72-F77 WeakPolarHBondContact O-CB 3.48Å; F72-F77 PolarHBondContact O-N 3.2Å; F72-L80 HydrophobicContact CB-CD1 4.03Å; F72-L80 HydrophobicContact CD1-CD1 3.13Å; F72-L80 HydrophobicContact CE1-CD1 3.63Å; F72-L80 HydrophobicContact CG-CD1 3.77Å; F72-L85 HydrophobicContact CD2-CD1 4.24Å; F72-L85 HydrophobicContact CD2-CD2 3.9Å; F72-L85 HydrophobicContact CE2-CD1 4.43Å; F72-L85 HydrophobicContact CE2-CD2 3.49Å; F72-L85 VanDerWaalsContact CE2-CD2 3.49Å; F72-L85 HydrophobicContact CZ-CD2 3.91Å
73A96.7Very high96.3Very high65 Ų6557.9 Ų57.954%0.53733%0.332SS..Hα-helixtrans-58.7-44.8178.300000112.3A69 R71 L75 G76A69-A73 PolarHBondContact O-N 3.08Å; A69-A73 VanDerWaalsContact O-N 3.12Å; R71-A73 VanDerWaalsContact C-N 3.34Å; R71-A73 PolarHBondContact O-N 2.87Å; A73-L75 VanDerWaalsContact C-N 3.3Å; A73-L75 PolarHBondContact O-N 2.98Å; A73-G76 PolarHBondContact O-N 3.38Å; A73-G76 VanDerWaalsContact O-N 3.13Å
74R97.2Very high96.5Very high153 Ų15356.7 Ų56.758%0.57733%0.329SS*.Hα-helixtrans-63.8-32.6178.9-178171.360.981.6-5.2113.3E34 L70 R71 F72 G76E34-R74 IonicContact OE1-NH2 2.85Å; E34-R74 IonicContact OE2-CZ 2.79Å; E34-R74 IonicContact OE2-NH1 3.38Å; E34-R74 PolarHBondContact OE2-NH1 2.83Å; E34-R74 IonicContact OE2-NH2 3.63Å; E34-R74 PolarHBondContact OE2-NH2 2.94Å; L70-R74 VanDerWaalsContact O-CB 3.3Å; L70-R74 WeakPolarHBondContact O-CB 3.27Å; L70-R74 PolarHBondContact O-N 2.93Å; R71-R74 PolarHBondContact O-N 3.44Å; F72-R74 PolarHBondContact O-N 3.25Å; R74-G76 PolarHBondContact O-N 2.89Å
75L97.5Very high96.5Very high22 Ų2256.7 Ų56.712%0.11533%0.328CS..THydrogen-bonded Turntrans-85.77178.2-66.1178.6000113.2W31 E34 R71 F72 A73 F77W31-L75 HydrophobicContact CB-CD1 4.09Å; W31-L75 HydrophobicContact CD2-CD1 3.62Å; W31-L75 HydrophobicContact CE3-CD1 3.44Å; W31-L75 VanDerWaalsContact CE3-CD1 3.44Å; W31-L75 HydrophobicContact CG-CD1 3.92Å; W31-L75 HydrophobicContact CZ3-CD1 4.05Å; E34-L75 WeakPolarHBondContact O-CD2 3.5Å; R71-L75 HydrophobicContact CG-CD1 3.84Å; R71-L75 HydrophobicContact CG-CG 4.33Å; R71-L75 WeakPolarHBondContact O-CB 3.35Å; R71-L75 WeakPolarHBondContact O-CG 3.35Å; R71-L75 PolarHBondContact O-N 3.07Å; F72-L75 PolarHBondContact O-N 3.48Å; A73-L75 VanDerWaalsContact C-N 3.3Å; A73-L75 PolarHBondContact O-N 2.98Å; L75-F77 HydrophobicContact CB-CD2 3.83Å; L75-F77 HydrophobicContact CB-CE2 3.81Å
76G97Very high96.5Very high44 Ų4453.4 Ų53.445%0.45432%0.316SS..THydrogen-bonded Turntrans91.27174.300000114.7F72 A73 R74 G78F72-G76 PolarHBondContact O-N 2.96Å; A73-G76 PolarHBondContact O-N 3.38Å; A73-G76 VanDerWaalsContact O-N 3.13Å; R74-G76 PolarHBondContact O-N 2.89Å; G76-G78 PolarHBondContact O-N 3.22Å
77F97.5Very high96.6Very high6 Ų649.8 Ų49.83%0.02629%0.293CS..  trans-83.294.7176.1-60.1-86.9000110.2L30 W31 A36 A40 P41 L44 F72 L75 L80L30-F77 HydrophobicContact CB-CE1 4.39Å; L30-F77 HydrophobicContact CB-CZ 3.93Å; L30-F77 HydrophobicContact CD2-CE1 4.26Å; L30-F77 WeakPolarHBondContact O-CZ 3.48Å; W31-F77 HydrophobicContact CE3-CD2 4.33Å; W31-F77 AromaticContact CE3-CE2 3.67Å; W31-F77 HydrophobicContact CE3-CE2 3.67Å; W31-F77 HydrophobicContact CE3-CZ 4.26Å; W31-F77 HydrophobicContact CZ3-CD2 4.2Å; W31-F77 AromaticContact CZ3-CE2 3.98Å; W31-F77 HydrophobicContact CZ3-CE2 3.98Å; A36-F77 HydrophobicContact CB-CE2 4.07Å; A36-F77 HydrophobicContact CB-CZ 4.18Å; A40-F77 HydrophobicContact CB-CE1 3.72Å; A40-F77 HydrophobicContact CB-CZ 3.85Å; P41-F77 HydrophobicContact CB-CD1 4.12Å; P41-F77 HydrophobicContact CB-CE1 4.33Å; P41-F77 HydrophobicContact CG-CD1 3.99Å; P41-F77 HydrophobicContact CG-CE1 3.83Å; P41-F77 HydrophobicContact CG-CE2 4.41Å; P41-F77 HydrophobicContact CG-CG 4.41Å; P41-F77 HydrophobicContact CG-CZ 4.04Å; L44-F77 HydrophobicContact CD1-CD1 3.54Å; L44-F77 HydrophobicContact CD1-CE1 4.12Å; L44-F77 HydrophobicContact CD1-CG 4.45Å; L44-F77 HydrophobicContact CG-CD1 4.28Å; F72-F77 HydrophobicContact CB-CB 4.18Å; F72-F77 HydrophobicContact CD1-CB 3.75Å; F72-F77 HydrophobicContact CD1-CD2 4.1Å; F72-F77 AromaticContact CD1-CG 3.89Å; F72-F77 HydrophobicContact CD1-CG 3.89Å; F72-F77 HydrophobicContact CG-CB 4.47Å; F72-F77 WeakPolarHBondContact O-CB 3.48Å; F72-F77 PolarHBondContact O-N 3.2Å; L75-F77 HydrophobicContact CB-CD2 3.83Å; L75-F77 HydrophobicContact CB-CE2 3.81Å; F77-L80 HydrophobicContact CB-CD1 3.85Å
78G91Very high96.7Very high45 Ų4545.4 Ų45.446%0.46427%0.272SS..  trans-77.7163.4178.600000114G76 L80G76-G78 PolarHBondContact O-N 3.22Å; G78-L80 PolarHBondContact O-N 2.95Å; G78-L80 VanDerWaalsContact O-N 3.13Å
79G90.5Very high96.7Very high85 Ų8544.8 Ų44.888%0.87627%0.269SS*.SBendtrans73.50.8168.900000116.6
80L94.8Very high96.8Very high48 Ų4843.9 Ų43.925%0.25126%0.26SS..  trans-81.2139.6-178.6-70.7174.1000113.1L44 F56 F72 F77 G78L44-L80 HydrophobicContact CD1-CD1 4.2Å; F56-L80 HydrophobicContact CD2-CD2 4.27Å; F56-L80 HydrophobicContact CE2-CD1 4.21Å; F56-L80 HydrophobicContact CE2-CD2 3.23Å; F56-L80 HydrophobicContact CE2-CG 4.35Å; F56-L80 HydrophobicContact CZ-CD1 4.1Å; F56-L80 HydrophobicContact CZ-CD2 3.46Å; F56-L80 VanDerWaalsContact CZ-CD2 3.46Å; F56-L80 HydrophobicContact CZ-CG 4.44Å; F72-L80 HydrophobicContact CB-CD1 4.03Å; F72-L80 HydrophobicContact CD1-CD1 3.13Å; F72-L80 HydrophobicContact CE1-CD1 3.63Å; F72-L80 HydrophobicContact CG-CD1 3.77Å; F77-L80 HydrophobicContact CB-CD1 3.85Å; G78-L80 PolarHBondContact O-N 2.95Å; G78-L80 VanDerWaalsContact O-N 3.13Å
81R95.5Very high96.9Very high158 Ų15838 Ų3860%0.59623%0.229SC*.  trans-101.3140.8172.2-58.4-179.555.491.410.3110.4E83 Q84R81-E83 WeakPolarHBondContact CB-OE2 3.45Å; R81-E83 IonicContact CZ-OE2 3.45Å; R81-E83 VanDerWaalsContact CZ-OE2 3.23Å; R81-E83 IonicContact NE-OE2 3.64Å; R81-E83 PolarHBondContact NE-OE2 3.06Å; R81-E83 IonicContact NH2-OE1 3.79Å; R81-E83 IonicContact NH2-OE2 3.33Å; R81-E83 PolarHBondContact NH2-OE2 2.95Å; R81-E83 PolarHBondContact O-N 3.25Å; R81-E83 VanDerWaalsContact O-N 3.07Å; R81-Q84 HydrophobicContact CB-CG 4.42Å; R81-Q84 WeakPolarHBondContact O-CB 3.33Å; R81-Q84 PolarHBondContact O-N 3.17Å
82A97Very high97Very high29 Ų2937.6 Ų37.624%0.2423%0.227CC..G310 helixtrans-58-26.6179.500000113.1R65 A69 Q84 L85R65-A82 VanDerWaalsContact CD-O 3.31Å; R65-A82 WeakPolarHBondContact CD-O 3.38Å; R65-A82 HydrophobicContact CG-CB 4.38Å; A69-A82 HydrophobicContact CB-CB 4.18Å; A82-Q84 PolarHBondContact O-N 3.45Å; A82-L85 WeakPolarHBondContact O-CB 3.2Å; A82-L85 PolarHBondContact O-N 2.79Å
83E96.9Very high97Very high78 Ų7837.5 Ų37.536%0.36423%0.227SC..G310 helixtrans-66.3-17.9176.8-57.782-148.600113.8R81 L85 F86 F226R81-E83 WeakPolarHBondContact CB-OE2 3.45Å; R81-E83 IonicContact CZ-OE2 3.45Å; R81-E83 VanDerWaalsContact CZ-OE2 3.23Å; R81-E83 IonicContact NE-OE2 3.64Å; R81-E83 PolarHBondContact NE-OE2 3.06Å; R81-E83 IonicContact NH2-OE1 3.79Å; R81-E83 IonicContact NH2-OE2 3.33Å; R81-E83 PolarHBondContact NH2-OE2 2.95Å; R81-E83 PolarHBondContact O-N 3.25Å; R81-E83 VanDerWaalsContact O-N 3.07Å; E83-L85 VanDerWaalsContact C-N 3.25Å; E83-L85 PolarHBondContact O-N 3.12Å; E83-F86 WeakPolarHBondContact O-CE2 3.37Å; E83-F226 HydrophobicContact CB-CZ 4.38Å; E83-F226 VanDerWaalsContact O-CE2 3.3Å; E83-F226 WeakPolarHBondContact O-CE2 3.3Å
84Q97.9Very high97Very high37 Ų3735.8 Ų35.817%0.17321%0.207CC..G310 helixtrans-80.5-7.2177.1-61.2171.3-89.300112.8A54 L55 F56 R81 A82A54-Q84 PolarHBondContact O-NE2 3.25Å; L55-Q84 HydrophobicContact CD2-CB 3.88Å; L55-Q84 HydrophobicContact CD2-CG 4.03Å; F56-Q84 HydrophobicContact CD2-CB 3.99Å; F56-Q84 HydrophobicContact CE2-CB 4.18Å; F56-Q84 PolarHBondContact N-O 2.95Å; R81-Q84 HydrophobicContact CB-CG 4.42Å; R81-Q84 WeakPolarHBondContact O-CB 3.33Å; R81-Q84 PolarHBondContact O-N 3.17Å; A82-Q84 PolarHBondContact O-N 3.45Å
85L98.4Very high97.1Very high2 Ų229 Ų291%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-101116.8-171.5-50.4-179.9000111.1F56 R65 L68 A69 F72 A82 E83 L90F56-L85 HydrophobicContact CB-CD2 3.79Å; F56-L85 HydrophobicContact CD2-CD2 3.63Å; F56-L85 HydrophobicContact CG-CD2 3.87Å; R65-L85 HydrophobicContact CG-CB 4.26Å; L68-L85 HydrophobicContact CB-CD1 4.37Å; L68-L85 HydrophobicContact CD2-CB 4.2Å; L68-L85 HydrophobicContact CD2-CD1 4.38Å; L68-L85 HydrophobicContact CG-CD1 4.11Å; A69-L85 HydrophobicContact CB-CD1 3.74Å; F72-L85 HydrophobicContact CD2-CD1 4.24Å; F72-L85 HydrophobicContact CD2-CD2 3.9Å; F72-L85 HydrophobicContact CE2-CD1 4.43Å; F72-L85 HydrophobicContact CE2-CD2 3.49Å; F72-L85 VanDerWaalsContact CE2-CD2 3.49Å; F72-L85 HydrophobicContact CZ-CD2 3.91Å; A82-L85 WeakPolarHBondContact O-CB 3.2Å; A82-L85 PolarHBondContact O-N 2.79Å; E83-L85 VanDerWaalsContact C-N 3.25Å; E83-L85 PolarHBondContact O-N 3.12Å; L85-L90 WeakPolarHBondContact O-CD2 3.31Å
86F98.6Very high97.1Very high2 Ų228 Ų281%0.00918%0.177CC..EExtended strand (participates in β ladder)trans-119.889.7-179.1-68.1-92.1000111L55 F56 V57 S58 E83 L90 I222 N225 F226L55-F86 HydrophobicContact CD2-CE2 4.31Å; F56-F86 WeakPolarHBondContact O-CA 3.48Å; F56-F86 PolarHBondContact O-N 3.23Å; V57-F86 CarbonylContact C-O 3.43Å; V57-F86 VanDerWaalsContact CA-O 3.32Å; V57-F86 WeakPolarHBondContact CA-O 3.41Å; V57-F86 HydrophobicContact CG1-CB 4.3Å; S58-F86 PolarHBondContact N-O 3.05Å; E83-F86 WeakPolarHBondContact O-CE2 3.37Å; F86-L90 HydrophobicContact CD1-CD2 4.06Å; F86-I222 HydrophobicContact CB-CG1 4.09Å; F86-I222 HydrophobicContact CD1-CB 4.44Å; F86-I222 HydrophobicContact CD1-CG1 3.68Å; F86-I222 HydrophobicContact CD2-CG1 3.91Å; F86-I222 HydrophobicContact CE1-CB 4.3Å; F86-I222 HydrophobicContact CE1-CG1 4.03Å; F86-I222 HydrophobicContact CE2-CG1 4.23Å; F86-I222 HydrophobicContact CE2-CG2 4.18Å; F86-I222 HydrophobicContact CG-CG1 3.61Å; F86-I222 HydrophobicContact CZ-CB 4.36Å; F86-I222 HydrophobicContact CZ-CG1 4.29Å; F86-I222 HydrophobicContact CZ-CG2 4.26Å; F86-N225 WeakPolarHBondContact CE1-ND2 3.47Å; F86-N225 HydrophobicContact CZ-CB 4.42Å; F86-F226 AromaticContact CE2-CD2 3.94Å; F86-F226 HydrophobicContact CE2-CD2 3.94Å; F86-F226 AromaticContact CE2-CE2 3.64Å; F86-F226 HydrophobicContact CE2-CE2 3.64Å; F86-F226 AromaticContact CZ-CD2 3.83Å; F86-F226 HydrophobicContact CZ-CD2 3.83Å; F86-F226 AromaticContact CZ-CE2 3.66Å; F86-F226 HydrophobicContact CZ-CE2 3.66Å
87S98.6Very high97Very high2 Ų232.1 Ų32.11%0.01418%0.179CC..EExtended strand (participates in β ladder)trans-82.9156.7169.666.10000111.4S58 A89 L90 C91S58-S87 CarbonylContact O-C 3.56Å; S58-S87 VanDerWaalsContact O-CA 3.26Å; S58-S87 WeakPolarHBondContact O-CA 3.46Å; S87-A89 PolarHBondContact O-N 2.87Å; S87-L90 PolarHBondContact O-N 3.28Å; S87-L90 VanDerWaalsContact O-N 3.11Å; S87-L90 PolarHBondContact OG-N 2.86Å; S87-L90 VanDerWaalsContact OG-N 3.1Å; S87-C91 PolarHBondContact O-N 2.87Å; S87-C91 PolarHBondContact O-SG 2.84Å
88S98.7Very high96.8Very high0 Ų035.7 Ų35.70%020%0.195CC..Hα-helixtrans-57.2-31.2169.259.50000112S58 N59 A92 T176S58-S88 PolarHBondContact O-N 2.83Å; N59-S88 VanDerWaalsContact C-OG 3.25Å; N59-S88 PolarHBondContact O-OG 2.79Å; S88-A92 WeakPolarHBondContact O-CB 3.43Å; S88-A92 PolarHBondContact O-N 3.28Å; S88-T176 VanDerWaalsContact CB-O 3.28Å; S88-T176 WeakPolarHBondContact CB-O 3.36Å
89A98.7Very high96.9Very high0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-62.2-50.1171.900000112.1S87 C91 A92 A93 L118 E121S87-A89 PolarHBondContact O-N 2.87Å; A89-C91 PolarHBondContact O-N 2.87Å; A89-A92 PolarHBondContact O-N 3.1Å; A89-A93 WeakPolarHBondContact O-CB 3.42Å; A89-A93 PolarHBondContact O-N 2.99Å; A89-L118 HydrophobicContact CB-CD1 3.5Å; A89-E121 HydrophobicContact CB-CB 4.27Å; A89-E121 HydrophobicContact CB-CG 4.2Å
90L98.6Very high96.9Very high11 Ų1137.4 Ų37.46%0.05816%0.163CC..Hα-helixtrans-60.4-47.7178.3173.471000110.7L85 F86 S87 A92 A93 R94 E121L85-L90 WeakPolarHBondContact O-CD2 3.31Å; F86-L90 HydrophobicContact CD1-CD2 4.06Å; S87-L90 PolarHBondContact O-N 3.28Å; S87-L90 VanDerWaalsContact O-N 3.11Å; S87-L90 PolarHBondContact OG-N 2.86Å; S87-L90 VanDerWaalsContact OG-N 3.1Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 3.07Å; L90-A93 WeakPolarHBondContact O-CB 3.43Å; L90-A93 PolarHBondContact O-N 3.07Å; L90-R94 WeakPolarHBondContact O-CG 3.3Å; L90-R94 PolarHBondContact O-N 3.48Å; L90-E121 HydrophobicContact CB-CG 4.31Å; L90-E121 WeakPolarHBondContact CD1-OE1 3.29Å
91C98.6Very high96Very high0 Ų039.7 Ų39.70%018%0.181CC..Hα-helixtrans-63.4-38.3180-60.70000111S87 A89 R94 L95 V211 Y217 C221S87-C91 PolarHBondContact O-N 2.87Å; S87-C91 PolarHBondContact O-SG 2.84Å; A89-C91 PolarHBondContact O-N 2.87Å; C91-R94 PolarHBondContact O-N 3.41Å; C91-L95 PolarHBondContact O-N 2.99Å; C91-V211 VanDerWaalsContact C-CG1 3.45Å; C91-V211 HydrophobicContact CB-CG1 3.19Å; C91-Y217 HydrophobicContact CB-CE1 4.35Å; C91-C221 HydrophobicContact CB-CB 4.24Å; C91-C221 PolarHBondContact SG-SG 3.1Å
92A98.7Very high94.6Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-68.4-39.4177.200000111.6S88 A89 L90 R94 L95 L96 L147 T176 V211S88-A92 WeakPolarHBondContact O-CB 3.43Å; S88-A92 PolarHBondContact O-N 3.28Å; A89-A92 PolarHBondContact O-N 3.1Å; L90-A92 VanDerWaalsContact C-N 3.3Å; L90-A92 PolarHBondContact O-N 3.07Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.28Å; A92-L95 PolarHBondContact O-N 3.25Å; A92-L96 WeakPolarHBondContact O-CB 3.38Å; A92-L96 WeakPolarHBondContact O-CG 3.09Å; A92-L96 PolarHBondContact O-N 2.93Å; A92-L147 HydrophobicContact CB-CD1 3.95Å; A92-L147 HydrophobicContact CB-CD2 4.25Å; A92-T176 HydrophobicContact CB-CG2 4.28Å; A92-V211 HydrophobicContact CB-CB 4.46Å; A92-V211 HydrophobicContact CB-CG1 4.24Å; A92-V211 HydrophobicContact CB-CG2 4.03Å
93A98.4Very high93.3Very high1 Ų136.2 Ų36.21%0.00818%0.183CC..Hα-helixtrans-59-44.2173.600000111.6A89 L90 R97 E121 L122 A125A89-A93 WeakPolarHBondContact O-CB 3.42Å; A89-A93 PolarHBondContact O-N 2.99Å; L90-A93 WeakPolarHBondContact O-CB 3.43Å; L90-A93 PolarHBondContact O-N 3.07Å; A93-R97 WeakPolarHBondContact O-CB 3.19Å; A93-R97 PolarHBondContact O-N 2.89Å; A93-E121 HydrophobicContact CB-CG 4.19Å; A93-L122 VanDerWaalsContact CA-CD2 3.46Å; A93-L122 HydrophobicContact CB-CD2 3.67Å; A93-A125 HydrophobicContact CB-CB 3.81Å
94R97.5Very high92Very high28 Ų2838.7 Ų38.711%0.10621%0.206CC..Hα-helixtrans-65.2-46.7176.4-73.9175.2175.5-137.37.1112.3L90 C91 A92 L96 R97 Q98 C221 E224 N225L90-R94 WeakPolarHBondContact O-CG 3.3Å; L90-R94 PolarHBondContact O-N 3.48Å; C91-R94 PolarHBondContact O-N 3.41Å; A92-R94 VanDerWaalsContact C-N 3.32Å; A92-R94 PolarHBondContact O-N 3.28Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 3.36Å; R94-R97 PolarHBondContact O-N 3.01Å; R94-Q98 VanDerWaalsContact O-CG 3.3Å; R94-Q98 WeakPolarHBondContact O-CG 3.2Å; R94-Q98 PolarHBondContact O-N 3.24Å; R94-C221 WeakPolarHBondContact CD-SG 3.4Å; R94-E224 IonicContact NH1-OE2 3.87Å; R94-E224 PolarHBondContact NH1-OE2 3.43Å; R94-N225 PolarHBondContact NH1-ND2 3.49Å; R94-N225 PolarHBondContact NH1-OD1 3.02Å; R94-N225 PolarHBondContact NH2-OD1 3.22Å
95L97.9Very high90.8Very high11 Ų1143.7 Ų43.76%0.05823%0.234CC..Hα-helixtrans-55.4-51.3176.1179.560.6000110.8C91 A92 R97 Q98 R99 V174 L209 V211 Y217C91-L95 PolarHBondContact O-N 2.99Å; A92-L95 PolarHBondContact O-N 3.25Å; L95-R97 VanDerWaalsContact C-N 3.33Å; L95-R97 PolarHBondContact O-N 2.95Å; L95-Q98 PolarHBondContact O-N 3.09Å; L95-R99 HydrophobicContact CD1-CG 3.77Å; L95-R99 HydrophobicContact CG-CG 4.27Å; L95-R99 WeakPolarHBondContact O-CB 3.5Å; L95-R99 VanDerWaalsContact O-CG 3.24Å; L95-R99 WeakPolarHBondContact O-CG 3.34Å; L95-R99 PolarHBondContact O-N 3.41Å; L95-V174 HydrophobicContact CD2-CG1 3.98Å; L95-V174 HydrophobicContact CD2-CG2 4.25Å; L95-L209 HydrophobicContact CD2-CB 4.46Å; L95-V211 HydrophobicContact CD2-CG2 3.67Å; L95-Y217 WeakPolarHBondContact CA-OH 3.19Å; L95-Y217 HydrophobicContact CB-CE1 3.75Å; L95-Y217 HydrophobicContact CB-CE2 4.42Å; L95-Y217 VanDerWaalsContact CB-OH 3.24Å; L95-Y217 WeakPolarHBondContact CB-OH 3.26Å; L95-Y217 HydrophobicContact CD1-CD2 4.4Å; L95-Y217 HydrophobicContact CD1-CE1 4.43Å; L95-Y217 HydrophobicContact CD1-CE2 3.66Å; L95-Y217 HydrophobicContact CD2-CE1 4.49Å; L95-Y217 HydrophobicContact CG-CE1 4.42Å; L95-Y217 HydrophobicContact CG-CE2 4.49Å; L95-Y217 PolarHBondContact N-OH 2.75Å
96L97.5Very high89.5Confident0 Ų046.4 Ų46.40%026%0.256CS..Hα-helixtrans-64.9-38.8-178.2-72.2169.6000111.3A92 R94 Q98 R99 L100 V110 L122 L127 A145 L147 V174A92-L96 WeakPolarHBondContact O-CB 3.38Å; A92-L96 WeakPolarHBondContact O-CG 3.09Å; A92-L96 PolarHBondContact O-N 2.93Å; R94-L96 VanDerWaalsContact C-N 3.33Å; R94-L96 PolarHBondContact O-N 3.36Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 2.99Å; L96-R99 PolarHBondContact O-N 3.18Å; L96-L100 HydrophobicContact CB-CD1 4.29Å; L96-L100 HydrophobicContact CD2-CD1 4.08Å; L96-L100 WeakPolarHBondContact O-CB 3.32Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.24Å; L96-L100 PolarHBondContact O-N 3.28Å; L96-V110 HydrophobicContact CD1-CG1 3.94Å; L96-V110 HydrophobicContact CD1-CG2 4.19Å; L96-L122 HydrophobicContact CD1-CD2 4.02Å; L96-L127 HydrophobicContact CB-CD1 3.68Å; L96-L127 HydrophobicContact CB-CD2 4.35Å; L96-A145 HydrophobicContact CD2-CB 3.53Å; L96-L147 HydrophobicContact CD1-CB 4.29Å; L96-L147 HydrophobicContact CD1-CD1 4.45Å; L96-L147 HydrophobicContact CD1-CD2 4.02Å; L96-L147 HydrophobicContact CD1-CG 4.5Å; L96-V174 HydrophobicContact CD2-CG2 3.83Å; L96-V174 HydrophobicContact CG-CG2 4.49Å
97R95Very high88.4Confident132 Ų13248.2 Ų48.250%0.49827%0.268SS..Hα-helixtrans-61.1-40.3173.5-172.6-179.169-175.20.8112.3A93 R94 L95 A125A93-R97 WeakPolarHBondContact O-CB 3.19Å; A93-R97 PolarHBondContact O-N 2.89Å; R94-R97 PolarHBondContact O-N 3.01Å; L95-R97 VanDerWaalsContact C-N 3.33Å; L95-R97 PolarHBondContact O-N 2.95Å; R97-A125 VanDerWaalsContact CD-O 3.26Å; R97-A125 WeakPolarHBondContact CD-O 3.46Å
98Q94Very high87.9Confident81 Ų8148.8 Ų48.838%0.37928%0.275SS..Hα-helixtrans-70.4-33.7177.1-70167.4-7.900112.7R94 L95 L96 P101 Y217 E224R94-Q98 VanDerWaalsContact O-CG 3.3Å; R94-Q98 WeakPolarHBondContact O-CG 3.2Å; R94-Q98 PolarHBondContact O-N 3.24Å; L95-Q98 PolarHBondContact O-N 3.09Å; L96-Q98 VanDerWaalsContact C-N 3.32Å; L96-Q98 PolarHBondContact O-N 2.99Å; Q98-P101 WeakPolarHBondContact O-CD 3.22Å; Q98-Y217 PolarHBondContact OE1-OH 2.99Å; Q98-E224 PolarHBondContact NE2-OE1 2.95Å
99R93.9Very high87.7Confident142 Ų14248.8 Ų48.854%0.53628%0.275SS..Hα-helixtrans-95.3-17.4-173.8-66.3-60.2-148.1126.25.2114.8L95 L96 P101 L172L95-R99 HydrophobicContact CD1-CG 3.77Å; L95-R99 HydrophobicContact CG-CG 4.27Å; L95-R99 WeakPolarHBondContact O-CB 3.5Å; L95-R99 VanDerWaalsContact O-CG 3.24Å; L95-R99 WeakPolarHBondContact O-CG 3.34Å; L95-R99 PolarHBondContact O-N 3.41Å; L96-R99 PolarHBondContact O-N 3.18Å; R99-P101 WeakPolarHBondContact O-CD 3.32Å; R99-L172 HydrophobicContact CB-CD1 3.73Å
100L90.6Very high87.6Confident24 Ų2448.9 Ų48.913%0.12628%0.275CS..  trans-105.927.8177.5-58.4179.1000115.5L96 G102 V110 L127 R144 A145 L172L96-L100 HydrophobicContact CB-CD1 4.29Å; L96-L100 HydrophobicContact CD2-CD1 4.08Å; L96-L100 WeakPolarHBondContact O-CB 3.32Å; L96-L100 VanDerWaalsContact O-CG 3.3Å; L96-L100 WeakPolarHBondContact O-CG 3.24Å; L96-L100 PolarHBondContact O-N 3.28Å; L100-G102 PolarHBondContact O-N 3.05Å; L100-V110 HydrophobicContact CD1-CG2 3.72Å; L100-L127 HydrophobicContact CD1-CD2 4.27Å; L100-R144 HydrophobicContact CD2-CB 3.66Å; L100-A145 HydrophobicContact CD1-CB 4Å; L100-A145 HydrophobicContact CD2-CB 4.46Å; L100-L172 HydrophobicContact CD2-CD1 4.05Å
101P75Confident87.6Confident95 Ų9548.9 Ų48.962%0.61728%0.275SS*.  trans-59.6136164.625.5-26.9000107.7Q98 R99 R144Q98-P101 WeakPolarHBondContact O-CD 3.22Å; R99-P101 WeakPolarHBondContact O-CD 3.32Å; P101-R144 PolarHBondContact O-NH1 2.96Å; P101-R144 VanDerWaalsContact O-NH1 3.1Å
102G67Low87.6Confident38 Ų3848.9 Ų48.939%0.39228%0.275SS..  trans-148.1171.1-178.100000109.6L100L100-G102 PolarHBondContact O-N 3.05Å
103P68Low87.6Confident76 Ų7648.9 Ų48.949%0.49428%0.275SS..  trans-52.1136.2173.2-21.632.5000109.9D105 A106P103-D105 WeakPolarHBondContact CB-OD1 3.3Å; P103-D105 PolarHBondContact O-N 3.43Å; P103-A106 HydrophobicContact CB-CB 4.49Å; P103-A106 CarbonylContact O-C 3.53Å; P103-A106 PolarHBondContact O-N 3.49Å
104P70.8Confident87.6Confident131 Ų13149 Ų4985%0.85128%0.277SS*.THydrogen-bonded Turntrans-54.4-27.2-178.3-23.331.8000113.6
105D72.8Confident87.6Confident141 Ų14149.2 Ų49.275%0.75429%0.287SS*.THydrogen-bonded Turntrans-86.4-14.3-178.954.9-41000114.1P103 P107P103-D105 WeakPolarHBondContact CB-OD1 3.3Å; P103-D105 PolarHBondContact O-N 3.43Å; D105-P107 VanDerWaalsContact C-CD 3.5Å
106A70.2Confident87.6Confident59 Ų5954.2 Ų54.249%0.48831%0.31SS..  trans-135.654.1178.600000113.7P103 G108P103-A106 HydrophobicContact CB-CB 4.49Å; P103-A106 CarbonylContact O-C 3.53Å; P103-A106 PolarHBondContact O-N 3.49Å; A106-G108 PolarHBondContact O-N 2.92Å; A106-G108 VanDerWaalsContact O-N 3.1Å
107P76Confident87.6Confident40 Ų4055 Ų5526%0.2632%0.318SS..  trans-66.5115.2174.528.4-33.8000109.4D105D105-P107 VanDerWaalsContact C-CD 3.5Å
108G88.5Confident87.8Confident15 Ų1548.7 Ų48.716%0.15530%0.295CS..  trans-67.1169.517400000112.4A106 R142A106-G108 PolarHBondContact O-N 2.92Å; A106-G108 VanDerWaalsContact O-N 3.1Å; G108-R142 CarbonylContact C-O 3.58Å; G108-R142 WeakPolarHBondContact CA-O 3.31Å
109A93.8Very high88Confident0 Ų046.7 Ų46.70%028%0.284CS..EExtended strand (participates in β ladder)trans-111.5160.9177.700000113.1R128 P141 R142 V143 R144 A145A109-R128 CarbonylContact C-O 3.43Å; A109-R128 VanDerWaalsContact CA-O 3.26Å; A109-R128 WeakPolarHBondContact CA-O 3.3Å; A109-R128 HydrophobicContact CB-CB 4.41Å; A109-P141 HydrophobicContact CB-CB 4.24Å; A109-P141 HydrophobicContact CB-CG 3.72Å; A109-R142 PolarHBondContact N-O 3.41Å; A109-V143 CarbonylContact O-C 3.58Å; A109-V143 WeakPolarHBondContact O-CA 3.44Å; A109-R144 PolarHBondContact O-N 2.83Å; A109-A145 PolarHBondContact O-N 2.68Å
110V97.5Very high88.2Confident1 Ų141.6 Ų41.61%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-101.8124.5170.1-173.20000108.9L96 L100 V112 L122 L127 R128 L129 A130 A145 L147L96-V110 HydrophobicContact CD1-CG1 3.94Å; L96-V110 HydrophobicContact CD1-CG2 4.19Å; L100-V110 HydrophobicContact CD1-CG2 3.72Å; V110-V112 HydrophobicContact CB-CG2 4.4Å; V110-V112 HydrophobicContact CG1-CG2 3.93Å; V110-L122 HydrophobicContact CB-CD1 4.31Å; V110-L122 HydrophobicContact CG1-CD1 4.01Å; V110-L127 HydrophobicContact CG2-CB 4.49Å; V110-L127 HydrophobicContact CG2-CD2 4.46Å; V110-R128 PolarHBondContact N-O 3.2Å; V110-L129 HydrophobicContact CB-CD2 4.09Å; V110-L129 WeakPolarHBondContact O-CA 3.24Å; V110-A130 PolarHBondContact O-N 3.43Å; V110-A145 CarbonylContact C-O 3.55Å; V110-A145 WeakPolarHBondContact CA-O 3.49Å; V110-A145 HydrophobicContact CG1-CB 4.33Å; V110-A145 HydrophobicContact CG2-CB 4.42Å; V110-L147 HydrophobicContact CG1-CB 3.87Å
111F98.4Very high88.6Confident12 Ų1240.9 Ų40.95%0.05327%0.268CS..EExtended strand (participates in β ladder)trans-85.8120.5167.8-179.2-95.1000109.2L113 A130 V143 A145 V146 L147 E161 A162 H165F111-L113 HydrophobicContact CD1-CG 4.5Å; F111-L113 HydrophobicContact CE1-CD2 3.71Å; F111-L113 HydrophobicContact CE1-CG 4.02Å; F111-L113 HydrophobicContact CZ-CD2 4.32Å; F111-A130 HydrophobicContact CB-CB 4.21Å; F111-A130 HydrophobicContact CD2-CB 3.97Å; F111-V143 HydrophobicContact CB-CG1 3.73Å; F111-V143 HydrophobicContact CB-CG2 4.36Å; F111-A145 PolarHBondContact N-O 3.44Å; F111-V146 HydrophobicContact CB-CG2 4.31Å; F111-V146 HydrophobicContact CD1-CG1 4.34Å; F111-V146 HydrophobicContact CD1-CG2 4.35Å; F111-V146 WeakPolarHBondContact O-CA 3.31Å; F111-L147 PolarHBondContact O-N 3.2Å; F111-E161 HydrophobicContact CD2-CG 4.45Å; F111-E161 HydrophobicContact CE2-CB 4.42Å; F111-E161 HydrophobicContact CE2-CG 3.72Å; F111-E161 WeakPolarHBondContact CE2-OE1 3.31Å; F111-E161 WeakPolarHBondContact CE2-OE2 3.33Å; F111-E161 HydrophobicContact CZ-CB 3.99Å; F111-E161 HydrophobicContact CZ-CG 3.8Å; F111-A162 HydrophobicContact CD1-CB 4.24Å; F111-A162 HydrophobicContact CE1-CB 3.93Å; F111-H165 AromaticContact CD2-CD2 3.93Å; F111-H165 AromaticContact CD2-NE2 3.79Å; F111-H165 AromaticContact CG-CD2 3.76Å
112V98.7Very high89.7Confident0 Ų036.4 Ų36.40%024%0.238CC..EExtended strand (participates in β ladder)trans-112.3117.9-169.3-1730000111.1V110 G114 L118 R119 L122 L129V110-V112 HydrophobicContact CB-CG2 4.4Å; V110-V112 HydrophobicContact CG1-CG2 3.93Å; V112-G114 PolarHBondContact O-N 2.9Å; V112-L118 HydrophobicContact CG1-CD2 3.77Å; V112-L118 HydrophobicContact CG1-CG 4.1Å; V112-R119 HydrophobicContact CB-CG 4.46Å; V112-R119 HydrophobicContact CG1-CG 4.24Å; V112-R119 PolarHBondContact O-NH2 3.39Å; V112-L122 HydrophobicContact CG2-CD1 3.51Å; V112-L129 HydrophobicContact CG2-CD2 3.96Å
113L98.9Very high91.1Very high0 Ų038.9 Ų38.90%024%0.236CC..EExtended strand (participates in β ladder)trans-90.886.5162.9-62.4174.4000108F111 L147 V148 G149 F154 K158 A162 V200F111-L113 HydrophobicContact CD1-CG 4.5Å; F111-L113 HydrophobicContact CE1-CD2 3.71Å; F111-L113 HydrophobicContact CE1-CG 4.02Å; F111-L113 HydrophobicContact CZ-CD2 4.32Å; L113-L147 PolarHBondContact N-O 3.35Å; L113-V148 HydrophobicContact CD1-CG1 4.5Å; L113-V148 HydrophobicContact CD1-CG2 4.26Å; L113-G149 PolarHBondContact O-N 2.75Å; L113-F154 HydrophobicContact CD1-CE2 4.14Å; L113-K158 HydrophobicContact CD2-CB 3.65Å; L113-K158 HydrophobicContact CD2-CD 4.41Å; L113-K158 HydrophobicContact CD2-CG 4.49Å; L113-A162 HydrophobicContact CD1-CB 4.03Å; L113-V200 HydrophobicContact CD1-CG2 3.68Å
114G98.5Very high92.4Very high4 Ų439.3 Ų39.34%0.04125%0.246CC..SBendtrans174.4168.3-179.400000112.5V112 Y150V112-G114 PolarHBondContact O-N 2.9Å; G114-Y150 WeakPolarHBondContact CA-O 3.26Å
115G97.6Very high93.6Very high32 Ų3233.9 Ų33.933%0.3321%0.213SC..  trans-76.5179.3-177.100000115.2G117 L118 R119G115-G117 VanDerWaalsContact C-N 3.33Å; G115-G117 PolarHBondContact O-N 3.46Å; G115-L118 PolarHBondContact O-N 2.84Å; G115-R119 PolarHBondContact O-N 2.86Å
116E97.5Very high94.6Very high115 Ų11530.4 Ų30.454%0.53721%0.21SC..Hα-helixtrans-63.2-31.1-175.4-80.9-55127.900114.4L118 R119 A120 R123E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 2.96Å; E116-R119 PolarHBondContact O-N 2.77Å; E116-R119 WeakPolarHBondContact OE1-CD 3.49Å; E116-R119 IonicContact OE1-NE 3.69Å; E116-A120 WeakPolarHBondContact O-CB 3.32Å; E116-A120 PolarHBondContact O-N 3.1Å; E116-R123 IonicContact OE2-CZ 3.61Å; E116-R123 IonicContact OE2-NH1 2.73Å; E116-R123 PolarHBondContact OE2-NH1 3.48Å; E116-R123 IonicContact OE2-NH2 2.7Å
117G97.8Very high95.7Very high16 Ų1628.7 Ų28.717%0.16519%0.192CC..Hα-helixtrans-62.3-41.417600000112.5R62 A64 G115 A120 E121R62-G117 WeakPolarHBondContact O-CA 3.36Å; A64-G117 WeakPolarHBondContact CB-O 3.38Å; G115-G117 VanDerWaalsContact C-N 3.33Å; G115-G117 PolarHBondContact O-N 3.46Å; G117-A120 PolarHBondContact O-N 2.97Å; G117-E121 PolarHBondContact O-N 3.17Å; G117-E121 VanDerWaalsContact O-N 3.09Å
118L98.6Very high96.5Very high1 Ų133.6 Ų33.61%0.00521%0.206CC..Hα-helixtrans-64.1-43.7173.6-177.156.9000111.1A89 V112 G115 E116 E121 L122 L147 T176A89-L118 HydrophobicContact CB-CD1 3.5Å; V112-L118 HydrophobicContact CG1-CD2 3.77Å; V112-L118 HydrophobicContact CG1-CG 4.1Å; G115-L118 PolarHBondContact O-N 2.84Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 2.96Å; L118-E121 PolarHBondContact O-N 3.42Å; L118-L122 WeakPolarHBondContact O-CG 3.33Å; L118-L122 PolarHBondContact O-N 3.24Å; L118-L122 VanDerWaalsContact O-N 3.11Å; L118-L147 HydrophobicContact CD1-CD2 3.91Å; L118-L147 HydrophobicContact CD2-CD2 3.91Å; L118-L147 HydrophobicContact CD2-CG 4.3Å; L118-L147 HydrophobicContact CG-CD2 4.06Å; L118-T176 HydrophobicContact CD1-CG2 4.16Å; L118-T176 HydrophobicContact CD2-CG2 4.25Å
119R98.5Very high96.8Very high39 Ų3933.2 Ų33.215%0.14720%0.2CC..Hα-helixtrans-61.2-44.4177.8-66.7175.2166.8-95-5.2111.7V112 G115 E116 E121 L122 R123 L129 D132V112-R119 HydrophobicContact CB-CG 4.46Å; V112-R119 HydrophobicContact CG1-CG 4.24Å; V112-R119 PolarHBondContact O-NH2 3.39Å; G115-R119 PolarHBondContact O-N 2.86Å; E116-R119 PolarHBondContact O-N 2.77Å; E116-R119 WeakPolarHBondContact OE1-CD 3.49Å; E116-R119 IonicContact OE1-NE 3.69Å; R119-E121 VanDerWaalsContact C-N 3.34Å; R119-E121 PolarHBondContact O-N 2.94Å; R119-L122 PolarHBondContact O-N 3.36Å; R119-R123 WeakPolarHBondContact O-CG 3.46Å; R119-R123 PolarHBondContact O-N 2.92Å; R119-L129 HydrophobicContact CB-CD1 3.6Å; R119-L129 HydrophobicContact CG-CD1 3.85Å; R119-D132 IonicContact NH1-OD1 3.12Å
120A98.2Very high96.8Very high35 Ų3534.2 Ų34.229%0.28921%0.209SC..Hα-helixtrans-60.4-42.2176.800000111.8A64 E116 G117 L122 R123 A124A64-A120 HydrophobicContact CB-CB 4.09Å; E116-A120 WeakPolarHBondContact O-CB 3.32Å; E116-A120 PolarHBondContact O-N 3.1Å; G117-A120 PolarHBondContact O-N 2.97Å; A120-L122 PolarHBondContact O-N 2.65Å; A120-R123 PolarHBondContact O-N 3.12Å; A120-A124 WeakPolarHBondContact O-CB 3.49Å; A120-A124 PolarHBondContact O-N 3.2Å
121E98.4Very high96.5Very high9 Ų938 Ų384%0.04225%0.248CC..Hα-helixtrans-62.8-42.4176.9-160.469.6-138.600112.1A64 R65 A89 L90 A93 G117 L118 R119 A124 A125A64-E121 VanDerWaalsContact C-OE2 3.27Å; A64-E121 WeakPolarHBondContact CA-OE2 3.47Å; A64-E121 HydrophobicContact CB-CB 4.19Å; A64-E121 WeakPolarHBondContact CB-OE2 3.38Å; R65-E121 PolarHBondContact N-OE2 3.37Å; A89-E121 HydrophobicContact CB-CB 4.27Å; A89-E121 HydrophobicContact CB-CG 4.2Å; L90-E121 HydrophobicContact CB-CG 4.31Å; L90-E121 WeakPolarHBondContact CD1-OE1 3.29Å; A93-E121 HydrophobicContact CB-CG 4.19Å; G117-E121 PolarHBondContact O-N 3.17Å; G117-E121 VanDerWaalsContact O-N 3.09Å; L118-E121 PolarHBondContact O-N 3.42Å; R119-E121 VanDerWaalsContact C-N 3.34Å; R119-E121 PolarHBondContact O-N 2.94Å; E121-A124 PolarHBondContact O-N 2.92Å; E121-A125 PolarHBondContact O-N 3.1Å
122L97.7Very high96.1Very high0 Ų039.8 Ų39.80%026%0.258CS..Hα-helixtrans-64.4-43.8175.4-64.3-171.5000112.1A93 L96 V110 V112 L118 R119 A120 A124 A125 G126 L127 L129 L147A93-L122 VanDerWaalsContact CA-CD2 3.46Å; A93-L122 HydrophobicContact CB-CD2 3.67Å; L96-L122 HydrophobicContact CD1-CD2 4.02Å; V110-L122 HydrophobicContact CB-CD1 4.31Å; V110-L122 HydrophobicContact CG1-CD1 4.01Å; V112-L122 HydrophobicContact CG2-CD1 3.51Å; L118-L122 WeakPolarHBondContact O-CG 3.33Å; L118-L122 PolarHBondContact O-N 3.24Å; L118-L122 VanDerWaalsContact O-N 3.11Å; R119-L122 PolarHBondContact O-N 3.36Å; A120-L122 PolarHBondContact O-N 2.65Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.89Å; L122-A125 WeakPolarHBondContact O-CB 3.42Å; L122-A125 PolarHBondContact O-N 2.88Å; L122-A125 VanDerWaalsContact O-N 3.09Å; L122-G126 PolarHBondContact O-N 3.04Å; L122-L127 HydrophobicContact CB-CB 4.29Å; L122-L127 HydrophobicContact CB-CD1 4.13Å; L122-L127 HydrophobicContact CD2-CD1 3.78Å; L122-L127 HydrophobicContact CG-CD1 4.44Å; L122-L127 WeakPolarHBondContact O-CB 3.43Å; L122-L127 PolarHBondContact O-N 2.88Å; L122-L127 VanDerWaalsContact O-N 3.11Å; L122-L129 HydrophobicContact CB-CD2 3.8Å; L122-L129 HydrophobicContact CD1-CD2 3.55Å; L122-L129 HydrophobicContact CG-CD2 4.35Å; L122-L147 HydrophobicContact CD1-CD2 3.78Å; L122-L147 HydrophobicContact CD2-CD2 3.93Å; L122-L147 HydrophobicContact CG-CD2 4.24Å
123R96.5Very high95.3Very high90 Ų9045.9 Ų45.934%0.3430%0.297SS..Hα-helixtrans-61.6-40.7176.5-69.7179.6-164.7120.6-2.5111.2E116 R119 A120 A125 G126 L129 D132E116-R123 IonicContact OE2-CZ 3.61Å; E116-R123 IonicContact OE2-NH1 2.73Å; E116-R123 PolarHBondContact OE2-NH1 3.48Å; E116-R123 IonicContact OE2-NH2 2.7Å; R119-R123 WeakPolarHBondContact O-CG 3.46Å; R119-R123 PolarHBondContact O-N 2.92Å; A120-R123 PolarHBondContact O-N 3.12Å; R123-A125 PolarHBondContact O-N 3.31Å; R123-G126 WeakPolarHBondContact O-CA 3.44Å; R123-G126 PolarHBondContact O-N 3.39Å; R123-L129 HydrophobicContact CG-CD1 4.02Å; R123-L129 HydrophobicContact CG-CG 4.34Å; R123-D132 IonicContact CZ-OD1 3.12Å; R123-D132 IonicContact CZ-OD2 3.95Å; R123-D132 IonicContact NE-OD1 3.95Å; R123-D132 IonicContact NE-OD2 2.96Å; R123-D132 PolarHBondContact NE-OD2 3.18Å; R123-D132 IonicContact NH2-OD1 3.18Å; R123-D132 PolarHBondContact NH2-OD1 3.45Å; R123-D132 IonicContact NH2-OD2 3.88Å; R123-D132 PolarHBondContact NH2-OD2 3.03Å
124A96.6Very high93.9Very high86 Ų8649.4 Ų49.471%0.71132%0.322SS*.Hα-helixtrans-62.6-26.4175.500000112.9A120 E121 L122 G126A120-A124 WeakPolarHBondContact O-CB 3.49Å; A120-A124 PolarHBondContact O-N 3.2Å; E121-A124 PolarHBondContact O-N 2.92Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.89Å; A124-G126 VanDerWaalsContact C-N 3.27Å
125A95.4Very high92.1Very high17 Ų1755 Ų5514%0.1437%0.368CS..THydrogen-bonded Turntrans-82.61.3171.200000114A93 R97 E121 L122 R123 L127A93-A125 HydrophobicContact CB-CB 3.81Å; R97-A125 VanDerWaalsContact CD-O 3.26Å; R97-A125 WeakPolarHBondContact CD-O 3.46Å; E121-A125 PolarHBondContact O-N 3.1Å; L122-A125 WeakPolarHBondContact O-CB 3.42Å; L122-A125 PolarHBondContact O-N 2.88Å; L122-A125 VanDerWaalsContact O-N 3.09Å; R123-A125 PolarHBondContact O-N 3.31Å; A125-L127 HydrophobicContact CB-CD1 4.41Å
126G93.2Very high90.4Very high68 Ų6855.2 Ų55.270%0.70137%0.371SS*.THydrogen-bonded Turntrans82.714.8-179.900000114.6L122 R123 A124L122-G126 PolarHBondContact O-N 3.04Å; R123-G126 WeakPolarHBondContact O-CA 3.44Å; R123-G126 PolarHBondContact O-N 3.39Å; A124-G126 VanDerWaalsContact C-N 3.27Å
127L93.5Very high88.5Confident22 Ų2258.4 Ų58.412%0.11539%0.391CS..  trans-83.8140.9-179.9-64.8164.2000111.4L96 L100 V110 L122 A125L96-L127 HydrophobicContact CB-CD1 3.68Å; L96-L127 HydrophobicContact CB-CD2 4.35Å; L100-L127 HydrophobicContact CD1-CD2 4.27Å; V110-L127 HydrophobicContact CG2-CB 4.49Å; V110-L127 HydrophobicContact CG2-CD2 4.46Å; L122-L127 HydrophobicContact CB-CB 4.29Å; L122-L127 HydrophobicContact CB-CD1 4.13Å; L122-L127 HydrophobicContact CD2-CD1 3.78Å; L122-L127 HydrophobicContact CG-CD1 4.44Å; L122-L127 WeakPolarHBondContact O-CB 3.43Å; L122-L127 PolarHBondContact O-N 2.88Å; L122-L127 VanDerWaalsContact O-N 3.11Å; A125-L127 HydrophobicContact CB-CD1 4.41Å
128R92.9Very high86.8Confident143 Ų14360.2 Ų60.254%0.5441%0.41SS..EExtended strand (participates in β ladder)trans-85.2140.1170.6-63.9-173.4179.4-171.81.5110.1A109 V110A109-R128 CarbonylContact C-O 3.43Å; A109-R128 VanDerWaalsContact CA-O 3.26Å; A109-R128 WeakPolarHBondContact CA-O 3.3Å; A109-R128 HydrophobicContact CB-CB 4.41Å; V110-R128 PolarHBondContact N-O 3.2Å
129L95Very high85.4Confident7 Ų765 Ų654%0.03745%0.449CS..EExtended strand (participates in β ladder)trans-112142.5-179.2-50-174.2000111.2V110 V112 R119 L122 R123 G131 D132V110-L129 HydrophobicContact CB-CD2 4.09Å; V110-L129 WeakPolarHBondContact O-CA 3.24Å; V112-L129 HydrophobicContact CG2-CD2 3.96Å; R119-L129 HydrophobicContact CB-CD1 3.6Å; R119-L129 HydrophobicContact CG-CD1 3.85Å; L122-L129 HydrophobicContact CB-CD2 3.8Å; L122-L129 HydrophobicContact CD1-CD2 3.55Å; L122-L129 HydrophobicContact CG-CD2 4.35Å; R123-L129 HydrophobicContact CG-CD1 4.02Å; R123-L129 HydrophobicContact CG-CG 4.34Å; L129-G131 PolarHBondContact O-N 3.32Å; L129-D132 HydrophobicContact CB-CB 4.47Å; L129-D132 PolarHBondContact O-N 3.13Å
130A94.4Very high84.4Confident22 Ų2267.4 Ų67.418%0.18248%0.477CS..THydrogen-bonded Turntrans-65.2132.7169.700000109.7V110 F111 V143V110-A130 PolarHBondContact O-N 3.43Å; F111-A130 HydrophobicContact CB-CB 4.21Å; F111-A130 HydrophobicContact CD2-CB 3.97Å; A130-V143 HydrophobicContact CB-CG2 4.01Å
131G90.5Very high83.8Confident81 Ų8168 Ų6884%0.83548%0.478SS*.THydrogen-bonded Turntrans88.3-8.5-177.700000115.3L129L129-G131 PolarHBondContact O-N 3.32Å
132D89.6Confident83.4Confident48 Ų4874.2 Ų74.226%0.25750%0.501SS..SBendtrans-72.2149.5170.6-79.13.5000110.5R119 R123 L129 S134R119-D132 IonicContact NH1-OD1 3.12Å; R123-D132 IonicContact CZ-OD1 3.12Å; R123-D132 IonicContact CZ-OD2 3.95Å; R123-D132 IonicContact NE-OD1 3.95Å; R123-D132 IonicContact NE-OD2 2.96Å; R123-D132 PolarHBondContact NE-OD2 3.18Å; R123-D132 IonicContact NH2-OD1 3.18Å; R123-D132 PolarHBondContact NH2-OD1 3.45Å; R123-D132 IonicContact NH2-OD2 3.88Å; R123-D132 PolarHBondContact NH2-OD2 3.03Å; L129-D132 HydrophobicContact CB-CB 4.47Å; L129-D132 PolarHBondContact O-N 3.13Å; D132-S134 PolarHBondContact O-N 3.27Å
133P81.5Confident83.3Confident128 Ų12874.9 Ų74.983%0.83151%0.506SS*.PPolyproline II helixtrans-55.5124.9175.8-21.731.4000110.9
134S70.1Confident83.3Confident74 Ų7474.1 Ų74.152%0.51750%0.503SS..PPolyproline II helixtrans-69.8140.3172.451.80000109.5D132 G136D132-S134 PolarHBondContact O-N 3.27Å; S134-G136 WeakPolarHBondContact CB-O 3.08Å; S134-G136 PolarHBondContact O-N 3.46Å; S134-G136 PolarHBondContact OG-O 3.19Å
135A60.8Low83.4Confident121 Ų12170 Ų70100%147%0.469SS*.SBendtrans-69.814.8174.900000113.7
136G62Low83.5Confident38 Ų3869.2 Ų69.239%0.39246%0.462SS..SBendtrans-176.9175.1178.500000112.6S134 G138S134-G136 WeakPolarHBondContact CB-O 3.08Å; S134-G136 PolarHBondContact O-N 3.46Å; S134-G136 PolarHBondContact OG-O 3.19Å; G136-G138 PolarHBondContact O-N 2.88Å
137D58Low83.8Confident182 Ų18266 Ų6697%0.97343%0.429SS*.SBendtrans-73.211.7-173.4-49.7-28.8000114.2
138G61.9Low84.1Confident53 Ų5365 Ų6555%0.54642%0.424SS..SBendtrans-77.7157.4-177.100000113.3G136G136-G138 PolarHBondContact O-N 2.88Å
139A68.9Low84.3Confident102 Ų10258.2 Ų58.284%0.84340%0.398SS*.PPolyproline II helixtrans-55.1145.8172.200000111.4
140A77.9Confident84.5Confident89 Ų8959.1 Ų59.174%0.73640%0.401SS*.PPolyproline II helixtrans-54.3135.5177.100000110.6
141P84.4Confident84.7Confident47 Ų4758.5 Ų58.531%0.30540%0.395SS..PPolyproline II helixtrans-59.7145.2-178.824.4-34.6000111.6A109 V143A109-P141 HydrophobicContact CB-CB 4.24Å; A109-P141 HydrophobicContact CB-CG 3.72Å; P141-V143 PolarHBondContact O-N 2.81Å
142R90.7Very high85.1Confident140 Ų14060.3 Ų60.353%0.52838%0.382SS..PPolyproline II helixtrans-54.7128.2174.3177.9176.6172.6-162.8-3.9109.5G108 A109 R144 D168 E170G108-R142 CarbonylContact C-O 3.58Å; G108-R142 WeakPolarHBondContact CA-O 3.31Å; A109-R142 PolarHBondContact N-O 3.41Å; R142-R144 PolarHBondContact O-N 3.2Å; R142-D168 IonicContact CZ-OD2 2.71Å; R142-D168 VanDerWaalsContact CZ-OD2 3.25Å; R142-D168 IonicContact NE-OD2 3.26Å; R142-D168 PolarHBondContact NE-OD2 2.97Å; R142-D168 VanDerWaalsContact NE-OD2 3.12Å; R142-D168 IonicContact NH2-OD1 2.68Å; R142-D168 PolarHBondContact NH2-OD1 3.37Å; R142-D168 IonicContact NH2-OD2 2.63Å; R142-D168 PolarHBondContact NH2-OD2 3Å; R142-E170 IonicContact CZ-OE2 3.37Å; R142-E170 IonicContact NH1-OE2 2.66Å; R142-E170 IonicContact NH2-OE2 3.62Å; R142-E170 PolarHBondContact NH2-OE2 2.92Å
143V95.2Very high85.5Confident15 Ų1564.9 Ų64.99%0.09140%0.401CS..EExtended strand (participates in β ladder)trans-70.3122.3172.2176.70000108.7A109 F111 A130 P141 A145 H165A109-V143 CarbonylContact O-C 3.58Å; A109-V143 WeakPolarHBondContact O-CA 3.44Å; F111-V143 HydrophobicContact CB-CG1 3.73Å; F111-V143 HydrophobicContact CB-CG2 4.36Å; A130-V143 HydrophobicContact CB-CG2 4.01Å; P141-V143 PolarHBondContact O-N 2.81Å; V143-A145 WeakPolarHBondContact CG1-O 3.46Å; V143-H165 HydrophobicContact CB-CB 4.37Å; V143-H165 HydrophobicContact CG1-CB 4Å; V143-H165 VanDerWaalsContact CG2-CE1 3.5Å; V143-H165 WeakPolarHBondContact CG2-CE1 3.32Å
144R96.2Very high86.3Confident74 Ų7461.6 Ų61.628%0.27937%0.374SS..EExtended strand (participates in β ladder)trans-110.1-10.7179.2-69.2-173.567.9-162.9-0.7113.2L100 P101 A109 R142 C171 L172L100-R144 HydrophobicContact CD2-CB 3.66Å; P101-R144 PolarHBondContact O-NH1 2.96Å; P101-R144 VanDerWaalsContact O-NH1 3.1Å; A109-R144 PolarHBondContact O-N 2.83Å; R142-R144 PolarHBondContact O-N 3.2Å; R144-C171 WeakPolarHBondContact O-CA 3.45Å; R144-L172 PolarHBondContact O-N 2.94Å
145A98.5Very high87.6Confident0 Ų060.3 Ų60.30%037%0.365CS..EExtended strand (participates in β ladder)trans-149.3145.1173.400000111.3L96 L100 A109 V110 F111 V143 L172L96-A145 HydrophobicContact CD2-CB 3.53Å; L100-A145 HydrophobicContact CD1-CB 4Å; L100-A145 HydrophobicContact CD2-CB 4.46Å; A109-A145 PolarHBondContact O-N 2.68Å; V110-A145 CarbonylContact C-O 3.55Å; V110-A145 WeakPolarHBondContact CA-O 3.49Å; V110-A145 HydrophobicContact CG1-CB 4.33Å; V110-A145 HydrophobicContact CG2-CB 4.42Å; F111-A145 PolarHBondContact N-O 3.44Å; V143-A145 WeakPolarHBondContact CG1-O 3.46Å; A145-L172 CarbonylContact C-O 3.54Å; A145-L172 WeakPolarHBondContact CA-O 3.37Å; A145-L172 HydrophobicContact CB-CB 4.01Å
146V98.9Very high89.4Confident0 Ų062.7 Ų62.70%035%0.353CS..EExtended strand (participates in β ladder)trans-104.4126.5162.2173.30000107.9F111 V148 A162 H165 L166 L172 L173 V174F111-V146 HydrophobicContact CB-CG2 4.31Å; F111-V146 HydrophobicContact CD1-CG1 4.34Å; F111-V146 HydrophobicContact CD1-CG2 4.35Å; F111-V146 WeakPolarHBondContact O-CA 3.31Å; V146-V148 HydrophobicContact CG1-CG2 4.45Å; V146-A162 HydrophobicContact CG1-CB 4.02Å; V146-H165 HydrophobicContact CG2-CB 3.99Å; V146-L166 HydrophobicContact CB-CD1 4.33Å; V146-L166 HydrophobicContact CB-CD2 4.12Å; V146-L166 HydrophobicContact CB-CG 4.24Å; V146-L166 HydrophobicContact CG1-CD1 4.45Å; V146-L166 HydrophobicContact CG2-CD1 4.26Å; V146-L166 HydrophobicContact CG2-CD2 4.03Å; V146-L166 HydrophobicContact CG2-CG 3.81Å; V146-L172 PolarHBondContact N-O 3.26Å; V146-L173 HydrophobicContact CB-CD1 4.21Å; V146-L173 HydrophobicContact CG1-CD1 4.05Å; V146-V174 PolarHBondContact O-N 2.9Å
147L98.9Very high91.2Very high0 Ų064.1 Ų64.10%036%0.361CS..EExtended strand (participates in β ladder)trans-110.4123.9173.4-18062.7000110.1A92 L96 V110 F111 L113 L118 L122 V174 T176A92-L147 HydrophobicContact CB-CD1 3.95Å; A92-L147 HydrophobicContact CB-CD2 4.25Å; L96-L147 HydrophobicContact CD1-CB 4.29Å; L96-L147 HydrophobicContact CD1-CD1 4.45Å; L96-L147 HydrophobicContact CD1-CD2 4.02Å; L96-L147 HydrophobicContact CD1-CG 4.5Å; V110-L147 HydrophobicContact CG1-CB 3.87Å; F111-L147 PolarHBondContact O-N 3.2Å; L113-L147 PolarHBondContact N-O 3.35Å; L118-L147 HydrophobicContact CD1-CD2 3.91Å; L118-L147 HydrophobicContact CD2-CD2 3.91Å; L118-L147 HydrophobicContact CD2-CG 4.3Å; L118-L147 HydrophobicContact CG-CD2 4.06Å; L122-L147 HydrophobicContact CD1-CD2 3.78Å; L122-L147 HydrophobicContact CD2-CD2 3.93Å; L122-L147 HydrophobicContact CG-CD2 4.24Å; L147-V174 CarbonylContact C-O 3.6Å; L147-V174 WeakPolarHBondContact CA-O 3.43Å; L147-V174 HydrophobicContact CD1-CB 3.8Å; L147-V174 HydrophobicContact CD1-CG1 3.59Å; L147-T176 HydrophobicContact CD1-CG2 4.1Å
148V98.9Very high93.1Very high1 Ų157.5 Ų57.51%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-101.6117.6173.5-164.30000109.4L113 V146 L173 V174 A175 T176 T193 L196 A197 V200L113-V148 HydrophobicContact CD1-CG1 4.5Å; L113-V148 HydrophobicContact CD1-CG2 4.26Å; V146-V148 HydrophobicContact CG1-CG2 4.45Å; V148-L173 HydrophobicContact CG2-CD1 3.94Å; V148-V174 PolarHBondContact N-O 3.03Å; V148-A175 HydrophobicContact CB-CB 4.44Å; V148-A175 CarbonylContact O-C 3.59Å; V148-A175 WeakPolarHBondContact O-CA 3.12Å; V148-T176 PolarHBondContact O-N 3.14Å; V148-T193 HydrophobicContact CG1-CG2 4.24Å; V148-T193 WeakPolarHBondContact O-CG2 3.34Å; V148-L196 HydrophobicContact CG1-CB 3.96Å; V148-A197 HydrophobicContact CG1-CB 4.32Å; V148-V200 HydrophobicContact CG2-CB 4.23Å; V148-V200 HydrophobicContact CG2-CG1 4.21Å; V148-V200 HydrophobicContact CG2-CG2 4.05Å
149G98.9Very high94.9Very high0 Ų056.1 Ų56.10%030%0.303CS..  trans-124.6-163.2169.700000111.5L113 D151 T176L113-G149 PolarHBondContact O-N 2.75Å; G149-D151 PolarHBondContact O-N 3.46Å; G149-T176 WeakPolarHBondContact CA-OG1 3.19Å
150Y98.7Very high96.3Very high26 Ų2660.2 Ų60.210%0.10230%0.297CS..  trans-70.2114.3171.5-178.3-95.7000109.8S61 R62 G114 E152 T190 P191 T193S61-Y150 WeakPolarHBondContact OG-CB 3.42Å; S61-Y150 PolarHBondContact OG-N 3.12Å; R62-Y150 HydrophobicContact CG-CD1 3.55Å; R62-Y150 HydrophobicContact CG-CE1 4.08Å; R62-Y150 HydrophobicContact CG-CG 4.22Å; G114-Y150 WeakPolarHBondContact CA-O 3.26Å; Y150-E152 HydrophobicContact CD1-CG 4.2Å; Y150-E152 HydrophobicContact CE1-CG 3.32Å; Y150-E152 PolarHBondContact OH-OE1 2.7Å; Y150-T190 HydrophobicContact CE2-CG2 4.01Å; Y150-T190 WeakPolarHBondContact CE2-OG1 3.3Å; Y150-T190 PolarHBondContact OH-OG1 3.43Å; Y150-P191 VanDerWaalsContact CE2-O 3.27Å; Y150-P191 WeakPolarHBondContact CE2-O 3.5Å; Y150-T193 PolarHBondContact N-OG1 3.24Å
151D98.7Very high97.3Very high9 Ų960.4 Ų60.45%0.04828%0.283CS..  trans-127.293.6-173.3-172.412.7000111.3G149 H153 F154 K158 L196G149-D151 PolarHBondContact O-N 3.46Å; D151-H153 PolarHBondContact O-N 3.47Å; D151-H153 VanDerWaalsContact O-N 3.15Å; D151-H153 PolarHBondContact OD1-N 3.13Å; D151-H153 VanDerWaalsContact OD1-N 3.17Å; D151-F154 HydrophobicContact CB-CB 4.21Å; D151-F154 WeakPolarHBondContact O-CB 3.02Å; D151-F154 PolarHBondContact O-N 2.71Å; D151-F154 VanDerWaalsContact O-N 3.09Å; D151-F154 PolarHBondContact OD1-N 3.25Å; D151-K158 IonicContact OD1-NZ 3.25Å; D151-K158 PolarHBondContact OD1-NZ 3.3Å; D151-K158 IonicContact OD2-NZ 3.42Å; D151-K158 PolarHBondContact OD2-NZ 3.5Å; D151-L196 HydrophobicContact CB-CD1 3.84Å
152E97.7Very high98Very high120 Ų12058.2 Ų58.256%0.56127%0.268SS*.THydrogen-bonded Turntrans-62.8-16.6174.5-69.2171.7134.300112.4R62 Y150R62-E152 IonicContact CZ-OE1 3.25Å; R62-E152 IonicContact CZ-OE2 2.79Å; R62-E152 VanDerWaalsContact NH2-CD 3.26Å; R62-E152 IonicContact NH2-OE1 2.63Å; R62-E152 PolarHBondContact NH2-OE1 3.34Å; R62-E152 IonicContact NH2-OE2 3.66Å; R62-E152 PolarHBondContact NH2-OE2 2.73Å; Y150-E152 HydrophobicContact CD1-CG 4.2Å; Y150-E152 HydrophobicContact CE1-CG 3.32Å; Y150-E152 PolarHBondContact OH-OE1 2.7Å
153H98Very high98.4Very high144 Ų14452.6 Ų52.667%0.66725%0.251SS*.THydrogen-bonded Turntrans-10723.1177.7-56.4-53.2000112.3D151 S155 K158D151-H153 PolarHBondContact O-N 3.47Å; D151-H153 VanDerWaalsContact O-N 3.15Å; D151-H153 PolarHBondContact OD1-N 3.13Å; D151-H153 VanDerWaalsContact OD1-N 3.17Å; H153-S155 PolarHBondContact O-N 2.85Å; H153-K158 WeakPolarHBondContact O-CD 3.45Å
154F98.7Very high98.5Very high58 Ų5854.9 Ų54.925%0.25427%0.271SS..  trans-58.5132.3174.3-171.1-94000110.2L113 D151 L159 L196 A199 V200L113-F154 HydrophobicContact CD1-CE2 4.14Å; D151-F154 HydrophobicContact CB-CB 4.21Å; D151-F154 WeakPolarHBondContact O-CB 3.02Å; D151-F154 PolarHBondContact O-N 2.71Å; D151-F154 VanDerWaalsContact O-N 3.09Å; D151-F154 PolarHBondContact OD1-N 3.25Å; F154-L159 HydrophobicContact CE1-CB 4.44Å; F154-L159 HydrophobicContact CZ-CB 3.92Å; F154-L159 HydrophobicContact CZ-CD1 4.16Å; F154-L159 HydrophobicContact CZ-CD2 4.21Å; F154-L159 HydrophobicContact CZ-CG 4.32Å; F154-L196 HydrophobicContact CB-CD1 4.16Å; F154-L196 HydrophobicContact CB-CD2 4.11Å; F154-L196 HydrophobicContact CD1-CD2 3.91Å; F154-L196 HydrophobicContact CD2-CB 4.26Å; F154-L196 HydrophobicContact CD2-CD1 4.04Å; F154-L196 HydrophobicContact CD2-CD2 3.99Å; F154-L196 HydrophobicContact CD2-CG 4.32Å; F154-L196 HydrophobicContact CE1-CD2 4.3Å; F154-L196 HydrophobicContact CE2-CB 4.2Å; F154-L196 HydrophobicContact CE2-CD2 4.36Å; F154-L196 HydrophobicContact CG-CD1 4.24Å; F154-L196 HydrophobicContact CG-CD2 3.74Å; F154-L196 HydrophobicContact CG-CG 4.49Å; F154-L196 HydrophobicContact CZ-CD2 4.5Å; F154-A199 HydrophobicContact CZ-CB 4.25Å; F154-V200 HydrophobicContact CE2-CG2 4.33Å
155S98.8Very high98.6Very high47 Ų4753.9 Ų53.933%0.32927%0.269SS..  trans-146.6158.9-177.868.80000111.1H153 A157 K158 L159H153-S155 PolarHBondContact O-N 2.85Å; S155-A157 PolarHBondContact O-N 3.49Å; S155-K158 PolarHBondContact O-N 2.68Å; S155-K158 WeakPolarHBondContact OG-CG 3.45Å; S155-K158 PolarHBondContact OG-N 2.89Å; S155-L159 PolarHBondContact O-N 2.88Å
156F98.7Very high98.6Very high172 Ų17254.1 Ų54.175%0.75427%0.271SS*.Hα-helixtrans-58.1-35176.6-166.6-91.6000112.3L159 R160F156-L159 PolarHBondContact O-N 3.18Å; F156-R160 WeakPolarHBondContact O-CB 3.21Å; F156-R160 PolarHBondContact O-N 3.11Å
157A98.6Very high98.6Very high68 Ų6864.1 Ų64.156%0.56231%0.308SS*.Hα-helixtrans-64.1-48.2176.200000111.8S155 L159 R160 E161S155-A157 PolarHBondContact O-N 3.49Å; A157-L159 VanDerWaalsContact C-N 3.35Å; A157-L159 PolarHBondContact O-N 3.32Å; A157-R160 WeakPolarHBondContact O-CB 3.42Å; A157-R160 PolarHBondContact O-N 2.88Å; A157-E161 PolarHBondContact O-N 3.4Å
158K98.5Very high98.5Very high43 Ų4366 Ų6619%0.18732%0.319CS..Hα-helixtrans-65.4-37176.9-69.1177.776-1730112.3L113 D151 H153 S155 E161 A162L113-K158 HydrophobicContact CD2-CB 3.65Å; L113-K158 HydrophobicContact CD2-CD 4.41Å; L113-K158 HydrophobicContact CD2-CG 4.49Å; D151-K158 IonicContact OD1-NZ 3.25Å; D151-K158 PolarHBondContact OD1-NZ 3.3Å; D151-K158 IonicContact OD2-NZ 3.42Å; D151-K158 PolarHBondContact OD2-NZ 3.5Å; H153-K158 WeakPolarHBondContact O-CD 3.45Å; S155-K158 PolarHBondContact O-N 2.68Å; S155-K158 WeakPolarHBondContact OG-CG 3.45Å; S155-K158 PolarHBondContact OG-N 2.89Å; K158-E161 PolarHBondContact O-N 3.27Å; K158-A162 WeakPolarHBondContact O-CB 3.38Å; K158-A162 PolarHBondContact O-N 3.46Å
159L98.9Very high98.5Very high23 Ų2370.8 Ų70.812%0.1235%0.349CS..Hα-helixtrans-61.4-47.1173.4174.958.9000111.2F154 S155 F156 A157 E161 A162 C163 A199 V200 A203F154-L159 HydrophobicContact CE1-CB 4.44Å; F154-L159 HydrophobicContact CZ-CB 3.92Å; F154-L159 HydrophobicContact CZ-CD1 4.16Å; F154-L159 HydrophobicContact CZ-CD2 4.21Å; F154-L159 HydrophobicContact CZ-CG 4.32Å; S155-L159 PolarHBondContact O-N 2.88Å; F156-L159 PolarHBondContact O-N 3.18Å; A157-L159 VanDerWaalsContact C-N 3.35Å; A157-L159 PolarHBondContact O-N 3.32Å; L159-E161 VanDerWaalsContact C-N 3.31Å; L159-E161 PolarHBondContact O-N 3.09Å; L159-A162 PolarHBondContact O-N 3.39Å; L159-C163 PolarHBondContact O-N 3.29Å; L159-C163 PolarHBondContact O-SG 3.31Å; L159-C163 VanDerWaalsContact O-SG 3.33Å; L159-A199 HydrophobicContact CD2-CB 4.47Å; L159-V200 HydrophobicContact CD1-CB 4.27Å; L159-V200 HydrophobicContact CD1-CG2 3.7Å; L159-A203 HydrophobicContact CD1-CB 4.31Å
160R98.7Very high98.3Very high189 Ų18977.3 Ų77.371%0.71338%0.38SS*.Hα-helixtrans-58.6-43.2175.6177.3-176.4171.2-172.6-2.5111.7F156 A157 C163 A164F156-R160 WeakPolarHBondContact O-CB 3.21Å; F156-R160 PolarHBondContact O-N 3.11Å; A157-R160 WeakPolarHBondContact O-CB 3.42Å; A157-R160 PolarHBondContact O-N 2.88Å; R160-C163 PolarHBondContact O-N 3.11Å; R160-A164 PolarHBondContact O-N 3.09Å
161E98.6Very high98.2Very high93 Ų9376 Ų7644%0.43538%0.375SS..Hα-helixtrans-64.7-45.2178.2-171.9174.7-170.500112F111 A157 K158 L159 C163 A164 H165F111-E161 HydrophobicContact CD2-CG 4.45Å; F111-E161 HydrophobicContact CE2-CB 4.42Å; F111-E161 HydrophobicContact CE2-CG 3.72Å; F111-E161 WeakPolarHBondContact CE2-OE1 3.31Å; F111-E161 WeakPolarHBondContact CE2-OE2 3.33Å; F111-E161 HydrophobicContact CZ-CB 3.99Å; F111-E161 HydrophobicContact CZ-CG 3.8Å; A157-E161 PolarHBondContact O-N 3.4Å; K158-E161 PolarHBondContact O-N 3.27Å; L159-E161 VanDerWaalsContact C-N 3.31Å; L159-E161 PolarHBondContact O-N 3.09Å; E161-C163 VanDerWaalsContact C-N 3.34Å; E161-C163 PolarHBondContact O-N 3.19Å; E161-A164 WeakPolarHBondContact O-CB 3.4Å; E161-A164 PolarHBondContact O-N 3.1Å; E161-A164 VanDerWaalsContact O-N 3.09Å; E161-H165 PolarHBondContact O-CD2 3.03Å; E161-H165 VanDerWaalsContact O-CD2 3.29Å; E161-H165 PolarHBondContact O-N 2.71Å
162A98.8Very high98.2Very high0 Ų077.5 Ų77.50%038%0.382CS..Hα-helixtrans-55.7-48172.300000111.8F111 L113 V146 K158 L159 A164 H165 L166F111-A162 HydrophobicContact CD1-CB 4.24Å; F111-A162 HydrophobicContact CE1-CB 3.93Å; L113-A162 HydrophobicContact CD1-CB 4.03Å; V146-A162 HydrophobicContact CG1-CB 4.02Å; K158-A162 WeakPolarHBondContact O-CB 3.38Å; K158-A162 PolarHBondContact O-N 3.46Å; L159-A162 PolarHBondContact O-N 3.39Å; A162-A164 VanDerWaalsContact C-N 3.29Å; A162-A164 PolarHBondContact O-N 2.96Å; A162-H165 PolarHBondContact O-N 3.22Å; A162-L166 WeakPolarHBondContact O-CB 3.27Å; A162-L166 VanDerWaalsContact O-CG 3.26Å; A162-L166 WeakPolarHBondContact O-CG 3.45Å; A162-L166 PolarHBondContact O-N 2.94Å
163C98.8Very high98.2Very high23 Ų2372 Ų7216%0.15536%0.357CS..Hα-helixtrans-61.9-35.3176.5-68.60000112.6L159 R160 E161 L166 R167 A203L159-C163 PolarHBondContact O-N 3.29Å; L159-C163 PolarHBondContact O-SG 3.31Å; L159-C163 VanDerWaalsContact O-SG 3.33Å; R160-C163 PolarHBondContact O-N 3.11Å; E161-C163 VanDerWaalsContact C-N 3.34Å; E161-C163 PolarHBondContact O-N 3.19Å; C163-L166 PolarHBondContact O-N 3.47Å; C163-R167 WeakPolarHBondContact O-CG 3.42Å; C163-R167 PolarHBondContact O-N 3.46Å; C163-A203 WeakPolarHBondContact SG-CB 3.1Å
164A98.7Very high98.3Very high62 Ų6265.2 Ų65.251%0.51233%0.326SS..Hα-helixtrans-64.6-43.117700000111.7R160 E161 A162 R167R160-A164 PolarHBondContact O-N 3.09Å; E161-A164 WeakPolarHBondContact O-CB 3.4Å; E161-A164 PolarHBondContact O-N 3.1Å; E161-A164 VanDerWaalsContact O-N 3.09Å; A162-A164 VanDerWaalsContact C-N 3.29Å; A162-A164 PolarHBondContact O-N 2.96Å; A164-R167 WeakPolarHBondContact O-CB 3.32Å; A164-R167 PolarHBondContact O-N 2.81Å
165H98.3Very high98.3Very high53 Ų5362.5 Ų62.525%0.24531%0.314CS..Hα-helixtrans-63.8-41.4173-65.2-48.7000112.2F111 V143 V146 E161 A162 R167 D168F111-H165 AromaticContact CD2-CD2 3.93Å; F111-H165 AromaticContact CD2-NE2 3.79Å; F111-H165 AromaticContact CG-CD2 3.76Å; V143-H165 HydrophobicContact CB-CB 4.37Å; V143-H165 HydrophobicContact CG1-CB 4Å; V143-H165 VanDerWaalsContact CG2-CE1 3.5Å; V143-H165 WeakPolarHBondContact CG2-CE1 3.32Å; V146-H165 HydrophobicContact CG2-CB 3.99Å; E161-H165 PolarHBondContact O-CD2 3.03Å; E161-H165 VanDerWaalsContact O-CD2 3.29Å; E161-H165 PolarHBondContact O-N 2.71Å; A162-H165 PolarHBondContact O-N 3.22Å; H165-R167 PolarHBondContact O-N 2.86Å; H165-R167 VanDerWaalsContact O-N 3.16Å; H165-D168 WeakPolarHBondContact O-CB 3.18Å; H165-D168 PolarHBondContact O-N 2.81Å
166L98.7Very high98.3Very high6 Ų660.2 Ų60.23%0.03130%0.298CS..THydrogen-bonded Turntrans-72.4-2.6-178.9-68.1167000114.8V146 A162 C163 D168 L173 V200 R206V146-L166 HydrophobicContact CB-CD1 4.33Å; V146-L166 HydrophobicContact CB-CD2 4.12Å; V146-L166 HydrophobicContact CB-CG 4.24Å; V146-L166 HydrophobicContact CG1-CD1 4.45Å; V146-L166 HydrophobicContact CG2-CD1 4.26Å; V146-L166 HydrophobicContact CG2-CD2 4.03Å; V146-L166 HydrophobicContact CG2-CG 3.81Å; A162-L166 WeakPolarHBondContact O-CB 3.27Å; A162-L166 VanDerWaalsContact O-CG 3.26Å; A162-L166 WeakPolarHBondContact O-CG 3.45Å; A162-L166 PolarHBondContact O-N 2.94Å; C163-L166 PolarHBondContact O-N 3.47Å; L166-D168 PolarHBondContact O-N 3.35Å; L166-L173 HydrophobicContact CD1-CD1 4.01Å; L166-L173 HydrophobicContact CD1-CD2 4.34Å; L166-L173 HydrophobicContact CD2-CB 3.82Å; L166-L173 HydrophobicContact CD2-CD1 4.4Å; L166-V200 HydrophobicContact CD1-CG1 3.75Å; L166-R206 HydrophobicContact CB-CG 4.47Å
167R98.4Very high98.3Very high210 Ų21052.1 Ų52.179%0.79226%0.262SS*.THydrogen-bonded Turntrans-64.5-28.9167.8-70.5-59.7-57.2-84.2-5.3112.2C163 A164 H165 P169C163-R167 WeakPolarHBondContact O-CG 3.42Å; C163-R167 PolarHBondContact O-N 3.46Å; A164-R167 WeakPolarHBondContact O-CB 3.32Å; A164-R167 PolarHBondContact O-N 2.81Å; H165-R167 PolarHBondContact O-N 2.86Å; H165-R167 VanDerWaalsContact O-N 3.16Å; R167-P169 WeakPolarHBondContact O-CD 3.09Å
168D97.1Very high98.3Very high40 Ų4053 Ų5321%0.21425%0.251CS..SBendtrans-74.5115.4171.5-179.9-4.4000109.4R142 H165 L166 E170 C171R142-D168 IonicContact CZ-OD2 2.71Å; R142-D168 VanDerWaalsContact CZ-OD2 3.25Å; R142-D168 IonicContact NE-OD2 3.26Å; R142-D168 PolarHBondContact NE-OD2 2.97Å; R142-D168 VanDerWaalsContact NE-OD2 3.12Å; R142-D168 IonicContact NH2-OD1 2.68Å; R142-D168 PolarHBondContact NH2-OD1 3.37Å; R142-D168 IonicContact NH2-OD2 2.63Å; R142-D168 PolarHBondContact NH2-OD2 3Å; H165-D168 WeakPolarHBondContact O-CB 3.18Å; H165-D168 PolarHBondContact O-N 2.81Å; L166-D168 PolarHBondContact O-N 3.35Å; D168-E170 PolarHBondContact O-N 3Å; D168-E170 WeakPolarHBondContact OD1-CB 2.93Å; D168-E170 PolarHBondContact OD1-N 2.93Å; D168-C171 HydrophobicContact CB-CB 4.09Å; D168-C171 VanDerWaalsContact O-CB 3.32Å; D168-C171 WeakPolarHBondContact O-CB 3.45Å; D168-C171 PolarHBondContact O-N 3.43Å
169P97.2Very high98.3Very high101 Ų10151.6 Ų51.666%0.65625%0.245SC*.THydrogen-bonded Turntrans-65.7-19.8-177.428.2-35.4000113.2R167 C171R167-P169 WeakPolarHBondContact O-CD 3.09Å; P169-C171 VanDerWaalsContact C-N 3.33Å
170E95Very high98.3Very high136 Ų13653.5 Ų53.564%0.63626%0.259SS*.THydrogen-bonded Turntrans-80.4-15.2174.9-57-171.5126.500112.5R142 D168 L172R142-E170 IonicContact CZ-OE2 3.37Å; R142-E170 IonicContact NH1-OE2 2.66Å; R142-E170 IonicContact NH2-OE2 3.62Å; R142-E170 PolarHBondContact NH2-OE2 2.92Å; D168-E170 PolarHBondContact O-N 3Å; D168-E170 WeakPolarHBondContact OD1-CB 2.93Å; D168-E170 PolarHBondContact OD1-N 2.93Å; E170-L172 PolarHBondContact O-N 3.29Å
171C97Very high98.2Very high0 Ų047.7 Ų47.70%024%0.237CC..SBendtrans-73.2120.1175.1-174.80000110R144 D168 P169R144-C171 WeakPolarHBondContact O-CA 3.45Å; D168-C171 HydrophobicContact CB-CB 4.09Å; D168-C171 VanDerWaalsContact O-CB 3.32Å; D168-C171 WeakPolarHBondContact O-CB 3.45Å; D168-C171 PolarHBondContact O-N 3.43Å; P169-C171 VanDerWaalsContact C-N 3.33Å
172L98.3Very high98.1Very high39 Ų3945.5 Ų45.520%0.20423%0.227CC..EExtended strand (participates in β ladder)trans-71.1146.1178.6-59.7176000110.9R99 L100 R144 A145 V146 E170R99-L172 HydrophobicContact CB-CD1 3.73Å; L100-L172 HydrophobicContact CD2-CD1 4.05Å; R144-L172 PolarHBondContact O-N 2.94Å; A145-L172 CarbonylContact C-O 3.54Å; A145-L172 WeakPolarHBondContact CA-O 3.37Å; A145-L172 HydrophobicContact CB-CB 4.01Å; V146-L172 PolarHBondContact N-O 3.26Å; E170-L172 PolarHBondContact O-N 3.29Å
173L98.9Very high98Very high6 Ų648.8 Ų48.83%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-111.9120164.6179.356.5000108.6V146 V148 L166 V200 E201 R206 A208 L209V146-L173 HydrophobicContact CB-CD1 4.21Å; V146-L173 HydrophobicContact CG1-CD1 4.05Å; V148-L173 HydrophobicContact CG2-CD1 3.94Å; L166-L173 HydrophobicContact CD1-CD1 4.01Å; L166-L173 HydrophobicContact CD1-CD2 4.34Å; L166-L173 HydrophobicContact CD2-CB 3.82Å; L166-L173 HydrophobicContact CD2-CD1 4.4Å; L173-V200 HydrophobicContact CD1-CG1 3.79Å; L173-V200 HydrophobicContact CD2-CG1 4.27Å; L173-E201 HydrophobicContact CD2-CG 3.86Å; L173-R206 HydrophobicContact CD2-CB 3.79Å; L173-A208 HydrophobicContact CD2-CB 3.96Å; L173-A208 HydrophobicContact CG-CB 3.71Å; L173-A208 WeakPolarHBondContact O-CA 3.38Å; L173-L209 PolarHBondContact O-N 3.03Å
174V98.9Very high97.8Very high1 Ų151.3 Ų51.31%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-123.4140.4178.2-177.40000108.8L95 L96 V146 L147 V148 L209 V211L95-V174 HydrophobicContact CD2-CG1 3.98Å; L95-V174 HydrophobicContact CD2-CG2 4.25Å; L96-V174 HydrophobicContact CD2-CG2 3.83Å; L96-V174 HydrophobicContact CG-CG2 4.49Å; V146-V174 PolarHBondContact O-N 2.9Å; L147-V174 CarbonylContact C-O 3.6Å; L147-V174 WeakPolarHBondContact CA-O 3.43Å; L147-V174 HydrophobicContact CD1-CB 3.8Å; L147-V174 HydrophobicContact CD1-CG1 3.59Å; V148-V174 PolarHBondContact N-O 3.03Å; V174-L209 WeakPolarHBondContact CA-O 3.46Å; V174-L209 WeakPolarHBondContact CG1-O 3.38Å; V174-L209 HydrophobicContact CG2-CB 4.43Å; V174-V211 HydrophobicContact CG1-CG2 3.53Å
175A98.9Very high97.5Very high0 Ų054.7 Ų54.70%028%0.28CS..EExtended strand (participates in β ladder)trans-121.3136.8170.400000109.7V148 D177 A197 A208 L209 V211V148-A175 HydrophobicContact CB-CB 4.44Å; V148-A175 CarbonylContact O-C 3.59Å; V148-A175 WeakPolarHBondContact O-CA 3.12Å; A175-D177 VanDerWaalsContact C-N 3.26Å; A175-D177 PolarHBondContact O-N 3.02Å; A175-A197 HydrophobicContact CB-CB 4.02Å; A175-A208 HydrophobicContact CB-CB 3.97Å; A175-L209 PolarHBondContact N-O 3.48Å; A175-V211 PolarHBondContact O-N 3.3Å
176T98.9Very high97.3Very high0 Ų058 Ų580%030%0.299CS..SBendtrans-62.5-37.9178.957.40000111S88 A92 L118 L147 V148 G149 G212S88-T176 VanDerWaalsContact CB-O 3.28Å; S88-T176 WeakPolarHBondContact CB-O 3.36Å; A92-T176 HydrophobicContact CB-CG2 4.28Å; L118-T176 HydrophobicContact CD1-CG2 4.16Å; L118-T176 HydrophobicContact CD2-CG2 4.25Å; L147-T176 HydrophobicContact CD1-CG2 4.1Å; V148-T176 PolarHBondContact O-N 3.14Å; G149-T176 WeakPolarHBondContact CA-OG1 3.19Å; T176-G212 WeakPolarHBondContact O-CA 3.49Å; T176-G212 PolarHBondContact O-N 2.95Å
177D98.8Very high97Very high1 Ų161 Ų611%0.00533%0.332CS..  trans-164-179.4-176.563.3-82000110.2N59 A175 D179 T193N59-D177 HydrophobicContact CB-CB 3.78Å; A175-D177 VanDerWaalsContact C-N 3.26Å; A175-D177 PolarHBondContact O-N 3.02Å; D177-D179 WeakPolarHBondContact OD2-CB 3.47Å; D177-D179 PolarHBondContact OD2-N 3.25Å; D177-T193 VanDerWaalsContact OD1-CB 3.26Å; D177-T193 WeakPolarHBondContact OD1-CB 3.32Å; D177-T193 PolarHBondContact OD1-OG1 3.11Å; D177-T193 VanDerWaalsContact OD2-CB 3.3Å; D177-T193 WeakPolarHBondContact OD2-CB 3.38Å; D177-T193 PolarHBondContact OD2-OG1 2.68Å
178R98.7Very high97Very high88 Ų8853.3 Ų53.333%0.33231%0.311SS..  trans-125.323.5174.3-73-164.9-177-86.4-2113P180 E201 V210R178-P180 WeakPolarHBondContact O-CD 3.44Å; R178-E201 IonicContact CZ-OE1 3.72Å; R178-E201 IonicContact CZ-OE2 2.7Å; R178-E201 IonicContact NH1-OE1 3.17Å; R178-E201 IonicContact NH1-OE2 3.05Å; R178-E201 PolarHBondContact NH1-OE2 3.17Å; R178-E201 VanDerWaalsContact NH2-CD 3.27Å; R178-E201 IonicContact NH2-OE1 3.38Å; R178-E201 PolarHBondContact NH2-OE1 2.98Å; R178-E201 IonicContact NH2-OE2 2.67Å; R178-E201 PolarHBondContact NH2-OE2 3.18Å; R178-V210 HydrophobicContact CG-CG1 4.16Å; R178-V210 HydrophobicContact CG-CG2 3.86Å
179D98.3Very high97Very high12 Ų1259.1 Ų59.16%0.06433%0.329CS..  trans-61.8123.5176.9-76.837.6000108.7N59 D177 H182 G192 T193 G194 R239 T242N59-D179 PolarHBondContact ND2-OD1 3.27Å; D177-D179 WeakPolarHBondContact OD2-CB 3.47Å; D177-D179 PolarHBondContact OD2-N 3.25Å; D179-H182 WeakPolarHBondContact CB-CE1 3.26Å; D179-H182 IonicContact OD2-CE1 3.47Å; D179-H182 PolarHBondContact OD2-CE1 3.45Å; D179-H182 IonicContact OD2-ND1 2.85Å; D179-G192 CarbonylContact O-C 3.22Å; D179-G192 VanDerWaalsContact O-CA 3.28Å; D179-G192 WeakPolarHBondContact O-CA 3.17Å; D179-T193 PolarHBondContact O-N 2.92Å; D179-G194 WeakPolarHBondContact O-CA 3.24Å; D179-G194 PolarHBondContact O-N 2.85Å; D179-R239 IonicContact OD2-CZ 3.64Å; D179-R239 IonicContact OD2-NH1 2.84Å; D179-R239 PolarHBondContact OD2-NH1 2.79Å; D179-T242 WeakPolarHBondContact OD1-CG2 3.2Å
180P98.2Very high97.1Very high63 Ų6355.4 Ų55.441%0.40931%0.305SS..  trans-74.8-32.6-171.727.2-35.4000112.4R178 G192R178-P180 WeakPolarHBondContact O-CD 3.44Å; P180-G192 PolarHBondContact O-N 3.18Å
181W98.3Very high97.2Very high67 Ų6752.8 Ų52.825%0.25430%0.3SS..EExtended strand (participates in β ladder)trans-163162.6-177.957.4-95.7000110.2R189 T190 R239 V261W181-R189 HydrophobicContact CD2-CG 4.4Å; W181-R189 HydrophobicContact CE3-CB 4.5Å; W181-R189 HydrophobicContact CE3-CG 3.81Å; W181-R189 HydrophobicContact CZ3-CG 4.26Å; W181-T190 VanDerWaalsContact CA-O 3.28Å; W181-T190 WeakPolarHBondContact CA-O 3.49Å; W181-T190 WeakPolarHBondContact CB-O 3.15Å; W181-R239 PolarHBondContact O-NH1 2.77Å; W181-R239 PolarHBondContact O-NH2 3.29Å; W181-R239 VanDerWaalsContact O-NH2 3.12Å; W181-V261 HydrophobicContact CH2-CG1 3.8Å; W181-V261 HydrophobicContact CZ2-CG1 4.41Å; W181-V261 HydrophobicContact CZ3-CG1 4.37Å
182H96.7Very high97.3Very high47 Ų4752.8 Ų52.822%0.21830%0.3CS..EExtended strand (participates in β ladder)trans-131.2145.9174.9-50.7-81000111.2D179 R189 T190D179-H182 WeakPolarHBondContact CB-CE1 3.26Å; D179-H182 IonicContact OD2-CE1 3.47Å; D179-H182 PolarHBondContact OD2-CE1 3.45Å; D179-H182 IonicContact OD2-ND1 2.85Å; H182-R189 WeakPolarHBondContact O-CA 3.28Å; H182-T190 HydrophobicContact CB-CG2 3.89Å; H182-T190 PolarHBondContact N-O 2.9Å; H182-T190 PolarHBondContact O-N 3.27Å
183P96.1Very high97.3Very high70 Ų7051 Ų5146%0.45529%0.29SS..EExtended strand (participates in β ladder)trans-73.6148.7174.831.6-34.3000111.7V261P183-V261 HydrophobicContact CG-CG2 4.11Å
184L95.1Very high97.3Very high76 Ų7651.2 Ų51.240%0.39829%0.294SS..  trans-112.7162.4171.9-63.3-179.6000110.9D186 G187 S188 T190L184-D186 WeakPolarHBondContact CB-OD1 3.23Å; L184-D186 PolarHBondContact O-N 3.08Å; L184-G187 PolarHBondContact O-N 3.1Å; L184-S188 PolarHBondContact N-O 2.81Å; L184-T190 HydrophobicContact CD2-CG2 4.07Å; L184-T190 HydrophobicContact CG-CG2 4.41Å
185S91.9Very high97.3Very high132 Ų13253.5 Ų53.592%0.92331%0.31SS*.THydrogen-bonded Turntrans-65.6-19.8-175.353.70000114.5G187S185-G187 VanDerWaalsContact C-N 3.29Å
186D94.3Very high97.3Very high122 Ų12254.6 Ų54.665%0.65232%0.316SS*.THydrogen-bonded Turntrans-87.13.3175.366.1-4.5000113L184 S188L184-D186 WeakPolarHBondContact CB-OD1 3.23Å; L184-D186 PolarHBondContact O-N 3.08Å; D186-S188 VanDerWaalsContact C-N 3.28Å; D186-S188 PolarHBondContact O-N 2.63Å; D186-S188 VanDerWaalsContact OD1-CB 3.24Å; D186-S188 WeakPolarHBondContact OD1-CB 3.41Å; D186-S188 PolarHBondContact OD1-N 2.74Å; D186-S188 PolarHBondContact OD1-OG 3.44Å; D186-S188 PolarHBondContact OD2-OG 3.28Å
187G92.2Very high97.3Very high70 Ų7054.6 Ų54.672%0.72232%0.316SS*.SBendtrans84.2-4.7-177.200000114.4L184 S185L184-G187 PolarHBondContact O-N 3.1Å; S185-G187 VanDerWaalsContact C-N 3.29Å
188S97.4Very high97.3Very high49 Ų4956.5 Ų56.534%0.34333%0.332SS..  trans-77.2178.9172.8770000111.7L184 D186L184-S188 PolarHBondContact N-O 2.81Å; D186-S188 VanDerWaalsContact C-N 3.28Å; D186-S188 PolarHBondContact O-N 2.63Å; D186-S188 VanDerWaalsContact OD1-CB 3.24Å; D186-S188 WeakPolarHBondContact OD1-CB 3.41Å; D186-S188 PolarHBondContact OD1-N 2.74Å; D186-S188 PolarHBondContact OD1-OG 3.44Å; D186-S188 PolarHBondContact OD2-OG 3.28Å
189R98Very high97.3Very high161 Ų16153.9 Ų53.961%0.60833%0.329SS*.EExtended strand (participates in β ladder)trans-124.7141.9178.3-68.1177.7177.3178.4-1.3110.4W181 H182W181-R189 HydrophobicContact CD2-CG 4.4Å; W181-R189 HydrophobicContact CE3-CB 4.5Å; W181-R189 HydrophobicContact CE3-CG 3.81Å; W181-R189 HydrophobicContact CZ3-CG 4.26Å; H182-R189 WeakPolarHBondContact O-CA 3.28Å
190T98.2Very high97.3Very high23 Ų2353.3 Ų53.314%0.14133%0.326CS..EExtended strand (participates in β ladder)trans-97.8143.2163.2-179.70000109.9Y150 W181 H182 L184Y150-T190 HydrophobicContact CE2-CG2 4.01Å; Y150-T190 WeakPolarHBondContact CE2-OG1 3.3Å; Y150-T190 PolarHBondContact OH-OG1 3.43Å; W181-T190 VanDerWaalsContact CA-O 3.28Å; W181-T190 WeakPolarHBondContact CA-O 3.49Å; W181-T190 WeakPolarHBondContact CB-O 3.15Å; H182-T190 HydrophobicContact CB-CG2 3.89Å; H182-T190 PolarHBondContact N-O 2.9Å; H182-T190 PolarHBondContact O-N 3.27Å; L184-T190 HydrophobicContact CD2-CG2 4.07Å; L184-T190 HydrophobicContact CG-CG2 4.41Å
191P98.6Very high97.4Very high81 Ų8151 Ų5153%0.52631%0.31SS..EExtended strand (participates in β ladder)trans-56.2139166.2-22.233.4000110.8Y150Y150-P191 VanDerWaalsContact CE2-O 3.27Å; Y150-P191 WeakPolarHBondContact CE2-O 3.5Å
192G98.5Very high97.4Very high0 Ų053.6 Ų53.60%033%0.333CS..PPolyproline II helixtrans-98.4171.8175.200000112.1D179 P180 G194 S195D179-G192 CarbonylContact O-C 3.22Å; D179-G192 VanDerWaalsContact O-CA 3.28Å; D179-G192 WeakPolarHBondContact O-CA 3.17Å; P180-G192 PolarHBondContact O-N 3.18Å; G192-G194 PolarHBondContact O-N 3.44Å; G192-G194 VanDerWaalsContact O-N 3.12Å; G192-S195 PolarHBondContact O-N 2.94Å; G192-S195 VanDerWaalsContact O-N 3.09Å; G192-S195 PolarHBondContact O-OG 3.38Å
193T98.8Very high97.5Very high1 Ų154.2 Ų54.21%0.00635%0.347CS..Hα-helixtrans-54-35-178.8-49.80000111.8V148 Y150 D177 D179 S195 L196 A197V148-T193 HydrophobicContact CG1-CG2 4.24Å; V148-T193 WeakPolarHBondContact O-CG2 3.34Å; Y150-T193 PolarHBondContact N-OG1 3.24Å; D177-T193 VanDerWaalsContact OD1-CB 3.26Å; D177-T193 WeakPolarHBondContact OD1-CB 3.32Å; D177-T193 PolarHBondContact OD1-OG1 3.11Å; D177-T193 VanDerWaalsContact OD2-CB 3.3Å; D177-T193 WeakPolarHBondContact OD2-CB 3.38Å; D177-T193 PolarHBondContact OD2-OG1 2.68Å; D179-T193 PolarHBondContact O-N 2.92Å; T193-S195 PolarHBondContact O-N 2.91Å; T193-L196 PolarHBondContact O-N 2.85Å; T193-L196 VanDerWaalsContact O-N 3.09Å; T193-A197 WeakPolarHBondContact O-CB 3.01Å; T193-A197 PolarHBondContact O-N 2.72Å
194G98.7Very high97.6Very high11 Ų1152.2 Ų52.211%0.11333%0.334CS..Hα-helixtrans-57.7-35.5-179.300000113.7D179 G192 A198D179-G194 WeakPolarHBondContact O-CA 3.24Å; D179-G194 PolarHBondContact O-N 2.85Å; G192-G194 PolarHBondContact O-N 3.44Å; G192-G194 VanDerWaalsContact O-N 3.12Å; G194-A198 WeakPolarHBondContact O-CB 3.35Å; G194-A198 PolarHBondContact O-N 2.83Å
195S98.7Very high97.8Very high50 Ų5051.8 Ų51.835%0.3535%0.349SS..Hα-helixtrans-72.1-38.317767.40000112.2G192 T193 A199G192-S195 PolarHBondContact O-N 2.94Å; G192-S195 VanDerWaalsContact O-N 3.09Å; G192-S195 PolarHBondContact O-OG 3.38Å; T193-S195 PolarHBondContact O-N 2.91Å; S195-A199 PolarHBondContact O-N 3.43Å
196L98.9Very high98.1Very high22 Ų2250.1 Ų50.112%0.11532%0.322CS..Hα-helixtrans-70.6-42.9176.8-52.2-172.3000111.5V148 D151 F154 T193 A198 A199 V200V148-L196 HydrophobicContact CG1-CB 3.96Å; D151-L196 HydrophobicContact CB-CD1 3.84Å; F154-L196 HydrophobicContact CB-CD1 4.16Å; F154-L196 HydrophobicContact CB-CD2 4.11Å; F154-L196 HydrophobicContact CD1-CD2 3.91Å; F154-L196 HydrophobicContact CD2-CB 4.26Å; F154-L196 HydrophobicContact CD2-CD1 4.04Å; F154-L196 HydrophobicContact CD2-CD2 3.99Å; F154-L196 HydrophobicContact CD2-CG 4.32Å; F154-L196 HydrophobicContact CE1-CD2 4.3Å; F154-L196 HydrophobicContact CE2-CB 4.2Å; F154-L196 HydrophobicContact CE2-CD2 4.36Å; F154-L196 HydrophobicContact CG-CD1 4.24Å; F154-L196 HydrophobicContact CG-CD2 3.74Å; F154-L196 HydrophobicContact CG-CG 4.49Å; F154-L196 HydrophobicContact CZ-CD2 4.5Å; T193-L196 PolarHBondContact O-N 2.85Å; T193-L196 VanDerWaalsContact O-N 3.09Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.11Å; L196-A199 WeakPolarHBondContact O-CB 3.32Å; L196-A199 PolarHBondContact O-N 3.27Å; L196-V200 WeakPolarHBondContact O-CG2 3.36Å; L196-V200 PolarHBondContact O-N 2.91Å
197A98.9Very high98.3Very high0 Ų051.3 Ų51.30%032%0.324CS..Hα-helixtrans-59.4-44175.400000110.6V148 A175 T193 A199 V200 E201V148-A197 HydrophobicContact CG1-CB 4.32Å; A175-A197 HydrophobicContact CB-CB 4.02Å; T193-A197 WeakPolarHBondContact O-CB 3.01Å; T193-A197 PolarHBondContact O-N 2.72Å; A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 3.41Å; A197-V200 PolarHBondContact O-N 3.33Å; A197-E201 WeakPolarHBondContact O-CB 3.46Å; A197-E201 VanDerWaalsContact O-CG 3.27Å; A197-E201 WeakPolarHBondContact O-CG 3.19Å; A197-E201 PolarHBondContact O-N 3.04Å
198A98.9Very high98.6Very high41 Ų4148.5 Ų48.534%0.33929%0.294SS..Hα-helixtrans-59.4-40.4175.700000112.6G194 L196 T202G194-A198 WeakPolarHBondContact O-CB 3.35Å; G194-A198 PolarHBondContact O-N 2.83Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.11Å; A198-T202 VanDerWaalsContact O-CB 3.28Å; A198-T202 WeakPolarHBondContact O-CB 3.38Å; A198-T202 PolarHBondContact O-N 3.26Å; A198-T202 PolarHBondContact O-OG1 2.84Å
199A98.9Very high98.7Very high34 Ų3449.6 Ų49.628%0.28130%0.296SS..Hα-helixtrans-63.7-45.3175.600000112.1F154 L159 S195 L196 A197 A203F154-A199 HydrophobicContact CZ-CB 4.25Å; L159-A199 HydrophobicContact CD2-CB 4.47Å; S195-A199 PolarHBondContact O-N 3.43Å; L196-A199 WeakPolarHBondContact O-CB 3.32Å; L196-A199 PolarHBondContact O-N 3.27Å; A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 3.41Å; A199-A203 VanDerWaalsContact O-CB 3.29Å; A199-A203 WeakPolarHBondContact O-CB 3.45Å; A199-A203 PolarHBondContact O-N 3.05Å
200V98.9Very high98.7Very high0 Ų043.4 Ų43.40%028%0.275CS..Hα-helixtrans-65.6-45.8178.7176.60000111.6L113 V148 F154 L159 L166 L173 L196 A197 S204L113-V200 HydrophobicContact CD1-CG2 3.68Å; V148-V200 HydrophobicContact CG2-CB 4.23Å; V148-V200 HydrophobicContact CG2-CG1 4.21Å; V148-V200 HydrophobicContact CG2-CG2 4.05Å; F154-V200 HydrophobicContact CE2-CG2 4.33Å; L159-V200 HydrophobicContact CD1-CB 4.27Å; L159-V200 HydrophobicContact CD1-CG2 3.7Å; L166-V200 HydrophobicContact CD1-CG1 3.75Å; L173-V200 HydrophobicContact CD1-CG1 3.79Å; L173-V200 HydrophobicContact CD2-CG1 4.27Å; L196-V200 WeakPolarHBondContact O-CG2 3.36Å; L196-V200 PolarHBondContact O-N 2.91Å; A197-V200 PolarHBondContact O-N 3.33Å; V200-S204 VanDerWaalsContact O-CB 3.26Å; V200-S204 WeakPolarHBondContact O-CB 3.26Å; V200-S204 PolarHBondContact O-N 3.16Å; V200-S204 PolarHBondContact O-OG 3.45Å
201E98.9Very high98.8Very high14 Ų1442.3 Ų42.37%0.06527%0.269CS..Hα-helixtrans-60.8-48.3178.3-74.6-177.4130.100111.8L173 R178 A197 S204 G205 R206 Q207 A208L173-E201 HydrophobicContact CD2-CG 3.86Å; R178-E201 IonicContact CZ-OE1 3.72Å; R178-E201 IonicContact CZ-OE2 2.7Å; R178-E201 IonicContact NH1-OE1 3.17Å; R178-E201 IonicContact NH1-OE2 3.05Å; R178-E201 PolarHBondContact NH1-OE2 3.17Å; R178-E201 VanDerWaalsContact NH2-CD 3.27Å; R178-E201 IonicContact NH2-OE1 3.38Å; R178-E201 PolarHBondContact NH2-OE1 2.98Å; R178-E201 IonicContact NH2-OE2 2.67Å; R178-E201 PolarHBondContact NH2-OE2 3.18Å; A197-E201 WeakPolarHBondContact O-CB 3.46Å; A197-E201 VanDerWaalsContact O-CG 3.27Å; A197-E201 WeakPolarHBondContact O-CG 3.19Å; A197-E201 PolarHBondContact O-N 3.04Å; E201-S204 PolarHBondContact O-N 3.31Å; E201-S204 PolarHBondContact O-OG 3.4Å; E201-G205 WeakPolarHBondContact O-CA 3.26Å; E201-G205 PolarHBondContact O-N 2.76Å; E201-R206 WeakPolarHBondContact CA-O 3.46Å; E201-R206 VanDerWaalsContact CB-O 3.3Å; E201-R206 WeakPolarHBondContact CB-O 3.47Å; E201-R206 WeakPolarHBondContact CG-O 3.48Å; E201-R206 PolarHBondContact O-N 2.89Å; E201-Q207 WeakPolarHBondContact OE1-CA 3.22Å; E201-A208 HydrophobicContact CG-CB 4.19Å; E201-A208 WeakPolarHBondContact OE1-CB 3.47Å; E201-A208 PolarHBondContact OE1-N 3.11Å
202T98.9Very high98.8Very high121 Ų12138.4 Ų38.474%0.74224%0.243SC*.Hα-helixtrans-62-47.5180-57.20000111.1A198 S204A198-T202 VanDerWaalsContact O-CB 3.28Å; A198-T202 WeakPolarHBondContact O-CB 3.38Å; A198-T202 PolarHBondContact O-N 3.26Å; A198-T202 PolarHBondContact O-OG1 2.84Å; T202-S204 PolarHBondContact O-N 2.97Å
203A98.8Very high98.8Very high61 Ų6138.5 Ų38.550%0.50424%0.244SC..Hα-helixtrans-72.7-27.8-176.700000113.5L159 C163 A199L159-A203 HydrophobicContact CD1-CB 4.31Å; C163-A203 WeakPolarHBondContact SG-CB 3.1Å; A199-A203 VanDerWaalsContact O-CB 3.29Å; A199-A203 WeakPolarHBondContact O-CB 3.45Å; A199-A203 PolarHBondContact O-N 3.05Å
204S98.7Very high98.8Very high27 Ų2739.5 Ų39.519%0.18925%0.25CS..Hα-helixtrans-91.9-17.1177.863.70000114.2V200 E201 T202 R206V200-S204 VanDerWaalsContact O-CB 3.26Å; V200-S204 WeakPolarHBondContact O-CB 3.26Å; V200-S204 PolarHBondContact O-N 3.16Å; V200-S204 PolarHBondContact O-OG 3.45Å; E201-S204 PolarHBondContact O-N 3.31Å; E201-S204 PolarHBondContact O-OG 3.4Å; T202-S204 PolarHBondContact O-N 2.97Å; S204-R206 VanDerWaalsContact C-N 3.26Å; S204-R206 PolarHBondContact O-N 3.43Å; S204-R206 WeakPolarHBondContact OG-CB 3.48Å; S204-R206 WeakPolarHBondContact OG-CG 3.46Å; S204-R206 PolarHBondContact OG-N 2.96Å
205G98.6Very high98.8Very high68 Ų6840.1 Ų40.170%0.70125%0.253SS*.THydrogen-bonded Turntrans68.723.7-171.600000113.3E201E201-G205 WeakPolarHBondContact O-CA 3.26Å; E201-G205 PolarHBondContact O-N 2.76Å
206R98.6Very high98.7Very high96 Ų9640.5 Ų40.536%0.36225%0.254SS..  trans-110.3162.7-178.2-55.2-66.4-73.6148.3-5.9110.8L166 L173 E201 S204L166-R206 HydrophobicContact CB-CG 4.47Å; L173-R206 HydrophobicContact CD2-CB 3.79Å; E201-R206 WeakPolarHBondContact CA-O 3.46Å; E201-R206 VanDerWaalsContact CB-O 3.3Å; E201-R206 WeakPolarHBondContact CB-O 3.47Å; E201-R206 WeakPolarHBondContact CG-O 3.48Å; E201-R206 PolarHBondContact O-N 2.89Å; S204-R206 VanDerWaalsContact C-N 3.26Å; S204-R206 PolarHBondContact O-N 3.43Å; S204-R206 WeakPolarHBondContact OG-CB 3.48Å; S204-R206 WeakPolarHBondContact OG-CG 3.46Å; S204-R206 PolarHBondContact OG-N 2.96Å
207Q98.6Very high98.7Very high147 Ų14740.7 Ų40.769%0.68725%0.254SS*.  trans-113.2130.4167.5-75.3-68.6-6700108.8E201E201-Q207 WeakPolarHBondContact OE1-CA 3.22Å
208A98.8Very high98.7Very high12 Ų1240.7 Ų40.710%0.09925%0.254CS..  trans-79.1139.3-178.200000111.2L173 A175 E201 V210L173-A208 HydrophobicContact CD2-CB 3.96Å; L173-A208 HydrophobicContact CG-CB 3.71Å; L173-A208 WeakPolarHBondContact O-CA 3.38Å; A175-A208 HydrophobicContact CB-CB 3.97Å; E201-A208 HydrophobicContact CG-CB 4.19Å; E201-A208 WeakPolarHBondContact OE1-CB 3.47Å; E201-A208 PolarHBondContact OE1-N 3.11Å; A208-V210 PolarHBondContact O-N 3.43Å
209L98.7Very high98.7Very high72 Ų7240.1 Ų40.138%0.37724%0.243SC..EExtended strand (participates in β ladder)trans-71.6112.2161.3-60.3176000108L95 L173 V174 A175L95-L209 HydrophobicContact CD2-CB 4.46Å; L173-L209 PolarHBondContact O-N 3.03Å; V174-L209 WeakPolarHBondContact CA-O 3.46Å; V174-L209 WeakPolarHBondContact CG1-O 3.38Å; V174-L209 HydrophobicContact CG2-CB 4.43Å; A175-L209 PolarHBondContact N-O 3.48Å
210V98.8Very high98.6Very high30 Ų3043.6 Ų43.618%0.18225%0.254CS..EExtended strand (participates in β ladder)trans-89.5129.2179.2-174.80000109.8R178 A208 S215R178-V210 HydrophobicContact CG-CG1 4.16Å; R178-V210 HydrophobicContact CG-CG2 3.86Å; A208-V210 PolarHBondContact O-N 3.43Å; V210-S215 VanDerWaalsContact O-CB 3.22Å; V210-S215 WeakPolarHBondContact O-CB 3.49Å; V210-S215 PolarHBondContact O-OG 3.31Å
211V98.7Very high98.6Very high0 Ų043.6 Ų43.60%025%0.254CS..  trans-92.9-50.3-174.6173.40000111.9C91 A92 L95 V174 A175 Y217 M218C91-V211 VanDerWaalsContact C-CG1 3.45Å; C91-V211 HydrophobicContact CB-CG1 3.19Å; A92-V211 HydrophobicContact CB-CB 4.46Å; A92-V211 HydrophobicContact CB-CG1 4.24Å; A92-V211 HydrophobicContact CB-CG2 4.03Å; L95-V211 HydrophobicContact CD2-CG2 3.67Å; V174-V211 HydrophobicContact CG1-CG2 3.53Å; A175-V211 PolarHBondContact O-N 3.3Å; V211-Y217 HydrophobicContact CB-CD1 4.18Å; V211-Y217 HydrophobicContact CG1-CD1 3.68Å; V211-Y217 HydrophobicContact CG1-CE1 3.91Å; V211-Y217 HydrophobicContact CG2-CD1 4.35Å; V211-M218 PolarHBondContact O-N 3.14Å
212G98.6Very high98.5Very high0 Ų042.9 Ų42.90%025%0.251CS..SBendtrans-78.3176.9-17200000114N59 T176 S215N59-G212 WeakPolarHBondContact OD1-CA 3.33Å; T176-G212 WeakPolarHBondContact O-CA 3.49Å; T176-G212 PolarHBondContact O-N 2.95Å; G212-S215 WeakPolarHBondContact O-CA 3.36Å; G212-S215 WeakPolarHBondContact O-CB 3.39Å; G212-S215 PolarHBondContact O-N 3.42Å
213K98.8Very high98.5Very high2 Ų239.8 Ų39.81%0.00923%0.231CC..THydrogen-bonded Turntrans-55.1138178.8-59.8173.5-72.1172.60109.7D25 V57 N59 M218 M235 D243 F246D25-K213 VanDerWaalsContact CG-NZ 3.25Å; D25-K213 IonicContact OD1-NZ 3.9Å; D25-K213 PolarHBondContact OD1-NZ 3.05Å; V57-K213 HydrophobicContact CB-CD 4.26Å; V57-K213 HydrophobicContact CG2-CD 3.93Å; V57-K213 PolarHBondContact O-NZ 3.04Å; N59-K213 PolarHBondContact ND2-O 2.98Å; N59-K213 PolarHBondContact OD1-N 2.92Å; K213-M218 HydrophobicContact CD-SD 4.18Å; K213-M218 HydrophobicContact CG-SD 3.58Å; K213-M218 VanDerWaalsContact CG-SD 3.58Å; K213-M235 HydrophobicContact CD-CE 3.98Å; K213-D243 WeakPolarHBondContact CE-OD1 3.45Å; K213-D243 IonicContact NZ-OD1 3.54Å; K213-D243 PolarHBondContact NZ-OD1 3.41Å; K213-F246 HydrophobicContact CB-CB 4.1Å; K213-F246 HydrophobicContact CB-CD2 4.42Å; K213-F246 HydrophobicContact CB-CG 4.21Å; K213-F246 HydrophobicContact CD-CD1 3.99Å; K213-F246 HydrophobicContact CD-CE1 4.42Å; K213-F246 HydrophobicContact CD-CG 4.26Å; K213-F246 HydrophobicContact CG-CB 4.14Å; K213-F246 HydrophobicContact CG-CD1 3.92Å; K213-F246 HydrophobicContact CG-CD2 4.01Å; K213-F246 HydrophobicContact CG-CE1 4.29Å; K213-F246 HydrophobicContact CG-CE2 4.38Å; K213-F246 HydrophobicContact CG-CG 3.76Å
214P98.7Very high98.4Very high21 Ų2141.5 Ų41.514%0.13623%0.229CC..THydrogen-bonded Turncis-92.323.36.137.1-36.7000114.9T242 L245 F246 R249P214-T242 WeakPolarHBondContact CB-O 3.3Å; P214-L245 HydrophobicContact CB-CB 3.98Å; P214-L245 HydrophobicContact CB-CD2 3.97Å; P214-L245 HydrophobicContact CB-CG 3.81Å; P214-L245 HydrophobicContact CG-CD2 3.84Å; P214-L245 HydrophobicContact CG-CG 4.26Å; P214-F246 HydrophobicContact CB-CB 4.26Å; P214-R249 VanDerWaalsContact O-CD 3.26Å; P214-R249 WeakPolarHBondContact O-CD 3.22Å; P214-R249 PolarHBondContact O-NH1 3.17Å
215S98.6Very high98.2Very high25 Ų2543.8 Ų43.818%0.17524%0.239CC..SBendtrans-68131.3175.6-172.20000110.9V210 G212 Y217 M218V210-S215 VanDerWaalsContact O-CB 3.22Å; V210-S215 WeakPolarHBondContact O-CB 3.49Å; V210-S215 PolarHBondContact O-OG 3.31Å; G212-S215 WeakPolarHBondContact O-CA 3.36Å; G212-S215 WeakPolarHBondContact O-CB 3.39Å; G212-S215 PolarHBondContact O-N 3.42Å; S215-Y217 PolarHBondContact O-N 3.39Å; S215-Y217 VanDerWaalsContact O-N 3.13Å; S215-Y217 PolarHBondContact OG-N 3.25Å; S215-M218 PolarHBondContact O-N 3.45Å
216P98.1Very high98.1Very high58 Ų5843.7 Ų43.738%0.37722%0.22SC..THydrogen-bonded Turntrans-59.7-19.3172.5-24.334.8000113.6M218 F219 E220P216-M218 PolarHBondContact O-N 2.77Å; P216-F219 WeakPolarHBondContact O-CA 3.26Å; P216-F219 WeakPolarHBondContact O-CB 3.41Å; P216-F219 PolarHBondContact O-N 3.31Å; P216-E220 PolarHBondContact O-N 3.45Å
217Y98.5Very high98Very high26 Ų2645.6 Ų45.610%0.10225%0.247CC..Hα-helixtrans-56.6-35.1177.9-175.7-95000112.7C91 L95 Q98 V211 S215 F219 E220 C221C91-Y217 HydrophobicContact CB-CE1 4.35Å; L95-Y217 WeakPolarHBondContact CA-OH 3.19Å; L95-Y217 HydrophobicContact CB-CE1 3.75Å; L95-Y217 HydrophobicContact CB-CE2 4.42Å; L95-Y217 VanDerWaalsContact CB-OH 3.24Å; L95-Y217 WeakPolarHBondContact CB-OH 3.26Å; L95-Y217 HydrophobicContact CD1-CD2 4.4Å; L95-Y217 HydrophobicContact CD1-CE1 4.43Å; L95-Y217 HydrophobicContact CD1-CE2 3.66Å; L95-Y217 HydrophobicContact CD2-CE1 4.49Å; L95-Y217 HydrophobicContact CG-CE1 4.42Å; L95-Y217 HydrophobicContact CG-CE2 4.49Å; L95-Y217 PolarHBondContact N-OH 2.75Å; Q98-Y217 PolarHBondContact OE1-OH 2.99Å; V211-Y217 HydrophobicContact CB-CD1 4.18Å; V211-Y217 HydrophobicContact CG1-CD1 3.68Å; V211-Y217 HydrophobicContact CG1-CE1 3.91Å; V211-Y217 HydrophobicContact CG2-CD1 4.35Å; S215-Y217 PolarHBondContact O-N 3.39Å; S215-Y217 VanDerWaalsContact O-N 3.13Å; S215-Y217 PolarHBondContact OG-N 3.25Å; Y217-F219 VanDerWaalsContact C-N 3.27Å; Y217-F219 PolarHBondContact O-N 2.75Å; Y217-E220 PolarHBondContact O-N 3.21Å; Y217-C221 WeakPolarHBondContact O-CB 3.38Å; Y217-C221 PolarHBondContact O-N 3.22Å
218M98.6Very high97.9Very high0 Ų040.1 Ų40.10%022%0.223CC..Hα-helixtrans-62.9-36.1174.5-177.9166.6-84.900111.6V57 V211 K213 S215 P216 C221 I222 F246V57-M218 HydrophobicContact CB-SD 3.92Å; V57-M218 HydrophobicContact CG1-CG 4.48Å; V57-M218 HydrophobicContact CG1-SD 4.13Å; V211-M218 PolarHBondContact O-N 3.14Å; K213-M218 HydrophobicContact CD-SD 4.18Å; K213-M218 HydrophobicContact CG-SD 3.58Å; K213-M218 VanDerWaalsContact CG-SD 3.58Å; S215-M218 PolarHBondContact O-N 3.45Å; P216-M218 PolarHBondContact O-N 2.77Å; M218-C221 PolarHBondContact O-N 3.03Å; M218-I222 HydrophobicContact CG-CD1 4.23Å; M218-I222 WeakPolarHBondContact O-CD1 3.49Å; M218-I222 WeakPolarHBondContact O-CG1 2.95Å; M218-I222 PolarHBondContact O-N 2.87Å; M218-I222 VanDerWaalsContact O-N 3.12Å; M218-F246 HydrophobicContact CB-CE2 4.15Å; M218-F246 HydrophobicContact CB-CZ 4.38Å; M218-F246 HydrophobicContact CG-CZ 4.44Å
219F98.5Very high97.9Very high28 Ų2842.7 Ų42.712%0.12324%0.235CC..Hα-helixtrans-71.1-38.9176.3-168.4-108.4000112.3P216 Y217 C221 I222 T223 I228 P230 F246 C250 M252P216-F219 WeakPolarHBondContact O-CA 3.26Å; P216-F219 WeakPolarHBondContact O-CB 3.41Å; P216-F219 PolarHBondContact O-N 3.31Å; Y217-F219 VanDerWaalsContact C-N 3.27Å; Y217-F219 PolarHBondContact O-N 2.75Å; F219-C221 VanDerWaalsContact C-N 3.34Å; F219-C221 PolarHBondContact O-N 3.1Å; F219-I222 PolarHBondContact O-N 2.76Å; F219-T223 HydrophobicContact CD1-CG2 4.17Å; F219-T223 HydrophobicContact CE1-CG2 3.73Å; F219-T223 HydrophobicContact CE2-CG2 4.25Å; F219-T223 HydrophobicContact CZ-CG2 3.75Å; F219-T223 WeakPolarHBondContact O-CG2 3.36Å; F219-T223 PolarHBondContact O-N 3.39Å; F219-T223 PolarHBondContact O-OG1 3.39Å; F219-I228 HydrophobicContact CE2-CB 4.48Å; F219-I228 HydrophobicContact CE2-CD1 4.45Å; F219-I228 HydrophobicContact CE2-CG2 4.03Å; F219-I228 HydrophobicContact CZ-CB 4.29Å; F219-I228 HydrophobicContact CZ-CG2 4.01Å; F219-P230 HydrophobicContact CE1-CG 4.01Å; F219-P230 HydrophobicContact CZ-CB 4.34Å; F219-P230 HydrophobicContact CZ-CG 3.79Å; F219-F246 HydrophobicContact CB-CE2 3.94Å; F219-F246 HydrophobicContact CB-CZ 3.85Å; F219-F246 HydrophobicContact CD2-CZ 4.32Å; F219-C250 VanDerWaalsContact CB-SG 3.55Å; F219-C250 HydrophobicContact CD1-CB 4.28Å; F219-C250 HydrophobicContact CD2-CB 4.21Å; F219-C250 HydrophobicContact CG-CB 4.08Å; F219-M252 HydrophobicContact CD2-CE 4.09Å; F219-M252 HydrophobicContact CE2-CE 4.19Å; F219-M252 HydrophobicContact CE2-SD 4.27Å
220E98.1Very high97.9Very high107 Ų10740.9 Ų40.950%0.523%0.227SC..Hα-helixtrans-57.4-48.6170.9-66.5172.7-171.500110.6P216 Y217 I222 T223 E224P216-E220 PolarHBondContact O-N 3.45Å; Y217-E220 PolarHBondContact O-N 3.21Å; E220-I222 VanDerWaalsContact C-N 3.27Å; E220-I222 PolarHBondContact O-N 3.04Å; E220-T223 WeakPolarHBondContact CA-OG1 3.39Å; E220-T223 PolarHBondContact O-N 3.03Å; E220-T223 VanDerWaalsContact O-N 3.17Å; E220-T223 PolarHBondContact O-OG1 3.22Å; E220-T223 VanDerWaalsContact O-OG1 3.05Å; E220-E224 WeakPolarHBondContact O-CG 3.37Å; E220-E224 PolarHBondContact O-N 2.94Å
221C97.7Very high97.9Very high0 Ų043.1 Ų43.10%025%0.249CC..Hα-helixtrans-58.3-37177.6-176.40000113.1C91 R94 Y217 M218 F219 N225C91-C221 HydrophobicContact CB-CB 4.24Å; C91-C221 PolarHBondContact SG-SG 3.1Å; R94-C221 WeakPolarHBondContact CD-SG 3.4Å; Y217-C221 WeakPolarHBondContact O-CB 3.38Å; Y217-C221 PolarHBondContact O-N 3.22Å; M218-C221 PolarHBondContact O-N 3.03Å; F219-C221 VanDerWaalsContact C-N 3.34Å; F219-C221 PolarHBondContact O-N 3.1Å; C221-N225 PolarHBondContact O-ND2 2.89Å
222I98.2Very high97.8Very high0 Ų048 Ų480%027%0.267CS..Hα-helixtrans-69.1-49176.6-64.7160.6000110.4L23 L55 V57 F86 M218 F219 E220 E224 N225 F226 I228L23-I222 HydrophobicContact CD2-CD1 3.87Å; L55-I222 HydrophobicContact CD1-CG2 3.71Å; V57-I222 HydrophobicContact CG1-CD1 3.39Å; V57-I222 HydrophobicContact CG1-CG1 4.43Å; F86-I222 HydrophobicContact CB-CG1 4.09Å; F86-I222 HydrophobicContact CD1-CB 4.44Å; F86-I222 HydrophobicContact CD1-CG1 3.68Å; F86-I222 HydrophobicContact CD2-CG1 3.91Å; F86-I222 HydrophobicContact CE1-CB 4.3Å; F86-I222 HydrophobicContact CE1-CG1 4.03Å; F86-I222 HydrophobicContact CE2-CG1 4.23Å; F86-I222 HydrophobicContact CE2-CG2 4.18Å; F86-I222 HydrophobicContact CG-CG1 3.61Å; F86-I222 HydrophobicContact CZ-CB 4.36Å; F86-I222 HydrophobicContact CZ-CG1 4.29Å; F86-I222 HydrophobicContact CZ-CG2 4.26Å; M218-I222 HydrophobicContact CG-CD1 4.23Å; M218-I222 WeakPolarHBondContact O-CD1 3.49Å; M218-I222 WeakPolarHBondContact O-CG1 2.95Å; M218-I222 PolarHBondContact O-N 2.87Å; M218-I222 VanDerWaalsContact O-N 3.12Å; F219-I222 PolarHBondContact O-N 2.76Å; E220-I222 VanDerWaalsContact C-N 3.27Å; E220-I222 PolarHBondContact O-N 3.04Å; I222-E224 PolarHBondContact O-N 2.92Å; I222-N225 PolarHBondContact O-N 2.82Å; I222-N225 PolarHBondContact O-ND2 2.67Å; I222-F226 PolarHBondContact O-N 2.89Å; I222-F226 VanDerWaalsContact O-N 3.15Å; I222-I228 HydrophobicContact CG2-CD1 3.32Å
223T97.6Very high97.8Very high55 Ų5548.2 Ų48.234%0.33727%0.269SS..Hα-helixtrans-69.1-16.2-174.550.40000114.2F219 E220 N225 F226 I228F219-T223 HydrophobicContact CD1-CG2 4.17Å; F219-T223 HydrophobicContact CE1-CG2 3.73Å; F219-T223 HydrophobicContact CE2-CG2 4.25Å; F219-T223 HydrophobicContact CZ-CG2 3.75Å; F219-T223 WeakPolarHBondContact O-CG2 3.36Å; F219-T223 PolarHBondContact O-N 3.39Å; F219-T223 PolarHBondContact O-OG1 3.39Å; E220-T223 WeakPolarHBondContact CA-OG1 3.39Å; E220-T223 PolarHBondContact O-N 3.03Å; E220-T223 VanDerWaalsContact O-N 3.17Å; E220-T223 PolarHBondContact O-OG1 3.22Å; E220-T223 VanDerWaalsContact O-OG1 3.05Å; T223-N225 PolarHBondContact O-N 3.3Å; T223-F226 WeakPolarHBondContact CA-O 3.22Å; T223-I228 HydrophobicContact CG2-CB 4.22Å
224E96.8Very high97.8Very high98 Ų9848.3 Ų48.346%0.45827%0.269SS..THydrogen-bonded Turntrans-60.6-23.2165.1-75.3177.3178.900113.8R94 Q98 E220 I222R94-E224 IonicContact NH1-OE2 3.87Å; R94-E224 PolarHBondContact NH1-OE2 3.43Å; Q98-E224 PolarHBondContact NE2-OE1 2.95Å; E220-E224 WeakPolarHBondContact O-CG 3.37Å; E220-E224 PolarHBondContact O-N 2.94Å; I222-E224 PolarHBondContact O-N 2.92Å
225N95.1Very high97.8Very high74 Ų7447.3 Ų47.340%0.39626%0.263SS..THydrogen-bonded Turntrans-117.8-23.6-175.6-40.3-100.7000113F86 R94 C221 I222 T223F86-N225 WeakPolarHBondContact CE1-ND2 3.47Å; F86-N225 HydrophobicContact CZ-CB 4.42Å; R94-N225 PolarHBondContact NH1-ND2 3.49Å; R94-N225 PolarHBondContact NH1-OD1 3.02Å; R94-N225 PolarHBondContact NH2-OD1 3.22Å; C221-N225 PolarHBondContact O-ND2 2.89Å; I222-N225 PolarHBondContact O-N 2.82Å; I222-N225 PolarHBondContact O-ND2 2.67Å; T223-N225 PolarHBondContact O-N 3.3Å
226F96.7Very high97.9Very high67 Ų6746.1 Ų46.129%0.29425%0.254SS..SBendtrans-133.3133.1-175.8-62.6-81.3000110.5L55 E83 F86 I222 T223 I228L55-F226 HydrophobicContact CD1-CB 4.25Å; L55-F226 HydrophobicContact CD1-CD2 4.04Å; L55-F226 HydrophobicContact CD1-CG 4.11Å; L55-F226 HydrophobicContact CD2-CD1 4.4Å; L55-F226 HydrophobicContact CD2-CD2 3.95Å; L55-F226 HydrophobicContact CD2-CE1 4.23Å; L55-F226 HydrophobicContact CD2-CE2 3.77Å; L55-F226 HydrophobicContact CD2-CG 4.28Å; L55-F226 HydrophobicContact CD2-CZ 3.91Å; E83-F226 HydrophobicContact CB-CZ 4.38Å; E83-F226 VanDerWaalsContact O-CE2 3.3Å; E83-F226 WeakPolarHBondContact O-CE2 3.3Å; F86-F226 AromaticContact CE2-CD2 3.94Å; F86-F226 HydrophobicContact CE2-CD2 3.94Å; F86-F226 AromaticContact CE2-CE2 3.64Å; F86-F226 HydrophobicContact CE2-CE2 3.64Å; F86-F226 AromaticContact CZ-CD2 3.83Å; F86-F226 HydrophobicContact CZ-CD2 3.83Å; F86-F226 AromaticContact CZ-CE2 3.66Å; F86-F226 HydrophobicContact CZ-CE2 3.66Å; I222-F226 PolarHBondContact O-N 2.89Å; I222-F226 VanDerWaalsContact O-N 3.15Å; T223-F226 WeakPolarHBondContact CA-O 3.22Å; F226-I228 HydrophobicContact CB-CD1 4.39Å; F226-I228 HydrophobicContact CB-CG1 4.11Å; F226-I228 PolarHBondContact O-N 2.96Å
227S96.4Very high97.9Very high135 Ų13543.4 Ų43.494%0.94424%0.236SC*.  trans-74.6109.3168.5-58.20000109.4
228I97.1Very high97.9Very high33 Ų3342.5 Ų42.517%0.16923%0.234CC..  trans-117.4126.8179.8-59.3-177.7000108.7L23 L55 F219 I222 T223 F226 P230 T233L23-I228 HydrophobicContact CD1-CD1 4.13Å; L55-I228 HydrophobicContact CD1-CD1 3.5Å; L55-I228 VanDerWaalsContact CD1-CD1 3.5Å; L55-I228 HydrophobicContact CD1-CG1 4.36Å; F219-I228 HydrophobicContact CE2-CB 4.48Å; F219-I228 HydrophobicContact CE2-CD1 4.45Å; F219-I228 HydrophobicContact CE2-CG2 4.03Å; F219-I228 HydrophobicContact CZ-CB 4.29Å; F219-I228 HydrophobicContact CZ-CG2 4.01Å; I222-I228 HydrophobicContact CG2-CD1 3.32Å; T223-I228 HydrophobicContact CG2-CB 4.22Å; F226-I228 HydrophobicContact CB-CD1 4.39Å; F226-I228 HydrophobicContact CB-CG1 4.11Å; F226-I228 PolarHBondContact O-N 2.96Å; I228-P230 WeakPolarHBondContact O-CD 3.43Å; I228-T233 HydrophobicContact CG2-CG2 4.17Å; I228-T233 VanDerWaalsContact CG2-OG1 3.23Å; I228-T233 WeakPolarHBondContact CG2-OG1 3.1Å
229D98Very high97.9Very high65 Ų6543 Ų4335%0.34824%0.235SC..  trans-91108.8164.8178.8-4.5000108.6A231 R232 T233D229-A231 PolarHBondContact O-N 3.3Å; D229-A231 WeakPolarHBondContact OD1-CB 3.38Å; D229-A231 PolarHBondContact OD1-N 3.35Å; D229-R232 HydrophobicContact CB-CB 4.26Å; D229-R232 CarbonylContact O-C 3.52Å; D229-R232 PolarHBondContact O-N 2.99Å; D229-R232 WeakPolarHBondContact OD2-CG 3.33Å; D229-T233 WeakPolarHBondContact O-CB 3.38Å; D229-T233 PolarHBondContact O-N 2.76Å; D229-T233 PolarHBondContact O-OG1 2.62Å
230P98.2Very high97.9Very high35 Ų3541.6 Ų41.623%0.22723%0.229CC..G310 helixtrans-59.5-35.5-177.9-14.223.4000112.8F219 I228 R232 T233 C250 G251 M252F219-P230 HydrophobicContact CE1-CG 4.01Å; F219-P230 HydrophobicContact CZ-CB 4.34Å; F219-P230 HydrophobicContact CZ-CG 3.79Å; I228-P230 WeakPolarHBondContact O-CD 3.43Å; P230-R232 PolarHBondContact O-N 2.92Å; P230-R232 VanDerWaalsContact O-N 3.16Å; P230-T233 PolarHBondContact O-N 3.22Å; P230-C250 WeakPolarHBondContact CB-O 3.48Å; P230-G251 CarbonylContact C-O 3.53Å; P230-M252 HydrophobicContact CB-CG 3.97Å; P230-M252 WeakPolarHBondContact O-CA 3.39Å
231A98.1Very high97.9Very high76 Ų7639.7 Ų39.763%0.62822%0.221SC*.G310 helixtrans-66.8-18.8-179.800000112.6D229D229-A231 PolarHBondContact O-N 3.3Å; D229-A231 WeakPolarHBondContact OD1-CB 3.38Å; D229-A231 PolarHBondContact OD1-N 3.35Å
232R98.2Very high98Very high103 Ų10340.2 Ų40.239%0.38922%0.223SC..G310 helixtrans-111.520.8175.4-60.4-16867.8-171.7-4.2112.9R18 A19 Q20 D229 P230R18-R232 PolarHBondContact O-NE 2.96Å; R18-R232 PolarHBondContact O-NH2 2.84Å; A19-R232 CarbonylContact C-O 3.59Å; A19-R232 VanDerWaalsContact CA-O 3.28Å; A19-R232 WeakPolarHBondContact CA-O 3.3Å; Q20-R232 HydrophobicContact CB-CB 4.3Å; Q20-R232 HydrophobicContact CG-CB 4.01Å; Q20-R232 PolarHBondContact N-O 2.96Å; D229-R232 HydrophobicContact CB-CB 4.26Å; D229-R232 CarbonylContact O-C 3.52Å; D229-R232 PolarHBondContact O-N 2.99Å; D229-R232 WeakPolarHBondContact OD2-CG 3.33Å; P230-R232 PolarHBondContact O-N 2.92Å; P230-R232 VanDerWaalsContact O-N 3.16Å
233T98.7Very high98Very high5 Ų540.2 Ų40.23%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-121.3135.6-178.7-59.70000110.8G21 L23 I228 D229 P230 M252 T253G21-T233 WeakPolarHBondContact O-CA 3.38Å; L23-T233 HydrophobicContact CD1-CG2 3.76Å; I228-T233 HydrophobicContact CG2-CG2 4.17Å; I228-T233 VanDerWaalsContact CG2-OG1 3.23Å; I228-T233 WeakPolarHBondContact CG2-OG1 3.1Å; D229-T233 WeakPolarHBondContact O-CB 3.38Å; D229-T233 PolarHBondContact O-N 2.76Å; D229-T233 PolarHBondContact O-OG1 2.62Å; P230-T233 PolarHBondContact O-N 3.22Å; T233-M252 HydrophobicContact CG2-CG 4.25Å; T233-M252 HydrophobicContact CG2-SD 3.52Å; T233-M252 VanDerWaalsContact CG2-SD 3.52Å; T233-T253 PolarHBondContact O-N 3.4Å; T233-T253 VanDerWaalsContact O-N 3.12Å
234L98.8Very high98.1Very high4 Ų437.6 Ų37.62%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-93132.3170.4-51.8-173.8000109.4V15 L16 A19 G21 V22 L23 V236 T253V15-L234 HydrophobicContact CG1-CD1 3.98Å; V15-L234 HydrophobicContact CG1-CD2 3.6Å; V15-L234 HydrophobicContact CG1-CG 4.45Å; L16-L234 HydrophobicContact CD2-CD1 3.88Å; A19-L234 HydrophobicContact CB-CD1 4.33Å; A19-L234 HydrophobicContact CB-CD2 4.34Å; A19-L234 HydrophobicContact CB-CG 3.96Å; G21-L234 PolarHBondContact O-N 2.92Å; G21-L234 VanDerWaalsContact O-N 3.13Å; V22-L234 WeakPolarHBondContact CA-O 3.34Å; V22-L234 HydrophobicContact CG1-CB 4.15Å; V22-L234 HydrophobicContact CG2-CB 4.36Å; V22-L234 HydrophobicContact CG2-CD1 4.34Å; L23-L234 PolarHBondContact N-O 3.2Å; L234-V236 HydrophobicContact CB-CG2 4.46Å; L234-T253 CarbonylContact C-O 3.47Å; L234-T253 WeakPolarHBondContact CA-O 3.24Å; L234-T253 HydrophobicContact CD2-CG2 3.89Å
235M98.9Very high98.2Very high0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-101.6114.5165.4176.260.2-159.500108.5L23 D25 V57 K213 D243 F246 M252 T253 T254 V255L23-M235 HydrophobicContact CB-SD 3.88Å; D25-M235 HydrophobicContact CB-CE 4.48Å; V57-M235 HydrophobicContact CG2-CE 3.88Å; V57-M235 HydrophobicContact CG2-SD 4.16Å; K213-M235 HydrophobicContact CD-CE 3.98Å; M235-D243 HydrophobicContact CE-CB 3.65Å; M235-D243 WeakPolarHBondContact CG-O 3.39Å; M235-F246 HydrophobicContact CE-CD1 4.09Å; M235-F246 HydrophobicContact CG-CD1 4.18Å; M235-F246 HydrophobicContact SD-CD1 3.78Å; M235-F246 HydrophobicContact SD-CE1 4.06Å; M235-M252 HydrophobicContact CB-CB 4.17Å; M235-M252 HydrophobicContact CB-CE 4.11Å; M235-M252 HydrophobicContact CB-SD 4.14Å; M235-T253 PolarHBondContact N-O 3.02Å; M235-T254 HydrophobicContact CB-CG2 4.5Å; M235-T254 WeakPolarHBondContact O-CA 3.43Å; M235-V255 PolarHBondContact O-N 3.49Å
236V98.9Very high98.3Very high0 Ų030.5 Ų30.50%017%0.173CC..EExtended strand (participates in β ladder)trans-109.3123.7-178.5-175.50000109.1V22 L23 F24 D25 V29 L234 V255 I287V22-V236 HydrophobicContact CG1-CB 4.44Å; V22-V236 HydrophobicContact CG1-CG2 3.52Å; L23-V236 PolarHBondContact O-N 2.92Å; F24-V236 HydrophobicContact CD1-CB 3.76Å; F24-V236 HydrophobicContact CD1-CG1 3.94Å; F24-V236 HydrophobicContact CD1-CG2 4.21Å; F24-V236 HydrophobicContact CE1-CB 4Å; F24-V236 HydrophobicContact CE1-CG1 4.03Å; F24-V236 HydrophobicContact CE1-CG2 4Å; D25-V236 PolarHBondContact N-O 3.08Å; V29-V236 HydrophobicContact CG1-CG1 4.23Å; L234-V236 HydrophobicContact CB-CG2 4.46Å; V236-V255 WeakPolarHBondContact CA-O 3.47Å; V236-V255 HydrophobicContact CG2-CB 4.18Å; V236-I287 HydrophobicContact CG1-CG2 3.64Å
237G98.9Very high98.4Very high0 Ų027.3 Ų27.30%016%0.159CC..EExtended strand (participates in β ladder)trans-153.1165.9-176.400000113.3D243 V255 L256 T257G237-D243 VanDerWaalsContact CA-OD2 3.32Å; G237-D243 WeakPolarHBondContact CA-OD2 3.47Å; G237-V255 PolarHBondContact N-O 3.09Å; G237-V255 VanDerWaalsContact N-O 3.1Å; G237-L256 CarbonylContact O-C 3.47Å; G237-L256 WeakPolarHBondContact O-CA 3.28Å; G237-T257 PolarHBondContact O-N 3.04Å
238D98.8Very high98.5Very high8 Ų822.8 Ų22.84%0.04312%0.122CC..SBendtrans-104.8-7.9179.278.5-42.3000112.9V29 D243 T257 G260 V261 S262V29-D238 HydrophobicContact CG2-CB 3.92Å; D238-D243 PolarHBondContact N-OD2 3.37Å; D238-D243 VanDerWaalsContact N-OD2 3.11Å; D238-T257 HydrophobicContact CB-CG2 4.13Å; D238-G260 VanDerWaalsContact OD2-CA 3.23Å; D238-G260 WeakPolarHBondContact OD2-CA 3.35Å; D238-V261 WeakPolarHBondContact OD2-CG2 3.49Å; D238-V261 PolarHBondContact OD2-N 3.28Å; D238-S262 VanDerWaalsContact O-CB 3.26Å; D238-S262 WeakPolarHBondContact O-CB 3.47Å; D238-S262 PolarHBondContact O-N 3.46Å
239R98.6Very high98.6Very high9 Ų927.8 Ų27.83%0.03414%0.139CC..  trans-125.7115.4-172.8-171175.9-162.9158.221.1112.8D179 W181 E241 T242 D243 V261D179-R239 IonicContact OD2-CZ 3.64Å; D179-R239 IonicContact OD2-NH1 2.84Å; D179-R239 PolarHBondContact OD2-NH1 2.79Å; W181-R239 PolarHBondContact O-NH1 2.77Å; W181-R239 PolarHBondContact O-NH2 3.29Å; W181-R239 VanDerWaalsContact O-NH2 3.12Å; R239-E241 PolarHBondContact O-N 3.47Å; R239-T242 WeakPolarHBondContact CB-OG1 3.27Å; R239-T242 WeakPolarHBondContact CD-OG1 3.39Å; R239-T242 HydrophobicContact CG-CG2 4.27Å; R239-T242 WeakPolarHBondContact CG-OG1 3.32Å; R239-T242 PolarHBondContact O-N 3.26Å; R239-T242 PolarHBondContact O-OG1 2.89Å; R239-D243 PolarHBondContact N-OD2 2.83Å; R239-D243 WeakPolarHBondContact O-CB 3.35Å; R239-D243 PolarHBondContact O-N 3.27Å; R239-V261 HydrophobicContact CB-CB 4.36Å; R239-V261 HydrophobicContact CG-CB 4.41Å; R239-V261 HydrophobicContact CG-CG1 4.18Å
240L98.8Very high98.6Very high0 Ų025.5 Ų25.50%013%0.128CC..Iπ-helixtrans-57.5-49.3-174.4-66169.1000113.2T242 I244 L245 L256 S262 E266 A267 Y270 L278 P280L240-T242 PolarHBondContact O-N 2.99Å; L240-I244 HydrophobicContact CD2-CB 4.39Å; L240-I244 HydrophobicContact CD2-CG1 3.8Å; L240-I244 WeakPolarHBondContact O-CB 3.37Å; L240-L245 PolarHBondContact O-N 2.88Å; L240-L256 HydrophobicContact CD2-CD1 4.18Å; L240-L256 HydrophobicContact CD2-CD2 3.92Å; L240-S262 WeakPolarHBondContact CG-OG 3.37Å; L240-S262 PolarHBondContact N-OG 2.86Å; L240-E266 HydrophobicContact CD1-CB 3.88Å; L240-A267 HydrophobicContact CD1-CB 3.96Å; L240-A267 HydrophobicContact CD2-CB 4.04Å; L240-Y270 HydrophobicContact CB-CE2 4.23Å; L240-Y270 HydrophobicContact CD1-CD2 3.88Å; L240-Y270 HydrophobicContact CD1-CE2 3.89Å; L240-L278 WeakPolarHBondContact CD2-O 3.42Å; L240-P280 HydrophobicContact CD2-CG 4.26Å
241E98.5Very high98.6Very high67 Ų6726.1 Ų26.131%0.31314%0.141SC..Iπ-helixtrans-72.6-10.3-173.7-58.377.4-168.200113.6R239 Y270 L278R239-E241 PolarHBondContact O-N 3.47Å; E241-Y270 WeakPolarHBondContact OE1-CE2 3.5Å; E241-Y270 PolarHBondContact OE1-OH 3.01Å; E241-L278 HydrophobicContact CG-CD2 4.4Å
242T98.3Very high98.7Very high10 Ų1022.7 Ų22.76%0.06111%0.112CC..Iπ-helixtrans-119.1-60.5-177.664.10000111.2D179 P214 R239 L240 F246D179-T242 WeakPolarHBondContact OD1-CG2 3.2Å; P214-T242 WeakPolarHBondContact CB-O 3.3Å; R239-T242 WeakPolarHBondContact CB-OG1 3.27Å; R239-T242 WeakPolarHBondContact CD-OG1 3.39Å; R239-T242 HydrophobicContact CG-CG2 4.27Å; R239-T242 WeakPolarHBondContact CG-OG1 3.32Å; R239-T242 PolarHBondContact O-N 3.26Å; R239-T242 PolarHBondContact O-OG1 2.89Å; L240-T242 PolarHBondContact O-N 2.99Å; T242-F246 WeakPolarHBondContact O-CB 3.38Å; T242-F246 PolarHBondContact O-N 2.83Å
243D98.9Very high98.7Very high1 Ų119.7 Ų19.71%0.00511%0.105CC..Iπ-helixtrans-77.9-46.1-172.8-58.7-46.9000112.7K213 M235 G237 D238 R239 F246 G247K213-D243 WeakPolarHBondContact CE-OD1 3.45Å; K213-D243 IonicContact NZ-OD1 3.54Å; K213-D243 PolarHBondContact NZ-OD1 3.41Å; M235-D243 HydrophobicContact CE-CB 3.65Å; M235-D243 WeakPolarHBondContact CG-O 3.39Å; G237-D243 VanDerWaalsContact CA-OD2 3.32Å; G237-D243 WeakPolarHBondContact CA-OD2 3.47Å; D238-D243 PolarHBondContact N-OD2 3.37Å; D238-D243 VanDerWaalsContact N-OD2 3.11Å; R239-D243 PolarHBondContact N-OD2 2.83Å; R239-D243 WeakPolarHBondContact O-CB 3.35Å; R239-D243 PolarHBondContact O-N 3.27Å; D243-F246 WeakPolarHBondContact O-CB 3.33Å; D243-F246 PolarHBondContact O-N 2.9Å; D243-G247 PolarHBondContact O-N 3.39Å
244I98.8Very high98.7Very high0 Ų019.4 Ų19.40%010%0.104CC..Iπ-helixtrans-71.6-44.6-177.5-55.5-52.3000109.5L240 F246 G247 H248 T254 L256 P280L240-I244 HydrophobicContact CD2-CB 4.39Å; L240-I244 HydrophobicContact CD2-CG1 3.8Å; L240-I244 WeakPolarHBondContact O-CB 3.37Å; I244-F246 VanDerWaalsContact C-N 3.3Å; I244-F246 PolarHBondContact O-N 3.5Å; I244-G247 PolarHBondContact O-N 3.35Å; I244-H248 PolarHBondContact O-CD2 2.88Å; I244-H248 PolarHBondContact O-N 2.85Å; I244-T254 HydrophobicContact CG2-CG2 4.41Å; I244-L256 HydrophobicContact CD1-CB 4.27Å; I244-P280 HydrophobicContact CD1-CB 3.92Å; I244-P280 HydrophobicContact CG1-CB 4.16Å; I244-P280 HydrophobicContact CG2-CB 4.04Å
245L98.8Very high98.7Very high23 Ų2319.2 Ų19.212%0.1210%0.103CC..Hα-helixtrans-59.5-40.5172.4-175.855.5000112.3P214 L240 R249 D277 L278P214-L245 HydrophobicContact CB-CB 3.98Å; P214-L245 HydrophobicContact CB-CD2 3.97Å; P214-L245 HydrophobicContact CB-CG 3.81Å; P214-L245 HydrophobicContact CG-CD2 3.84Å; P214-L245 HydrophobicContact CG-CG 4.26Å; L240-L245 PolarHBondContact O-N 2.88Å; L245-R249 HydrophobicContact CD1-CG 4.34Å; L245-R249 WeakPolarHBondContact O-CB 3.45Å; L245-R249 VanDerWaalsContact O-CG 3.27Å; L245-R249 WeakPolarHBondContact O-CG 3.3Å; L245-R249 PolarHBondContact O-N 3.01Å; L245-D277 WeakPolarHBondContact CA-O 3.41Å; L245-D277 HydrophobicContact CD1-CB 3.71Å; L245-L278 HydrophobicContact CB-CD2 4.08Å; L245-L278 HydrophobicContact CD2-CD2 4.27Å
246F98.9Very high98.7Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-59.7-48.6173.6175.8-115.3000111.6L23 K213 P214 M218 F219 M235 T242 D243 I244 H248 R249 C250 M252L23-F246 HydrophobicContact CD2-CE1 4.28Å; K213-F246 HydrophobicContact CB-CB 4.1Å; K213-F246 HydrophobicContact CB-CD2 4.42Å; K213-F246 HydrophobicContact CB-CG 4.21Å; K213-F246 HydrophobicContact CD-CD1 3.99Å; K213-F246 HydrophobicContact CD-CE1 4.42Å; K213-F246 HydrophobicContact CD-CG 4.26Å; K213-F246 HydrophobicContact CG-CB 4.14Å; K213-F246 HydrophobicContact CG-CD1 3.92Å; K213-F246 HydrophobicContact CG-CD2 4.01Å; K213-F246 HydrophobicContact CG-CE1 4.29Å; K213-F246 HydrophobicContact CG-CE2 4.38Å; K213-F246 HydrophobicContact CG-CG 3.76Å; P214-F246 HydrophobicContact CB-CB 4.26Å; M218-F246 HydrophobicContact CB-CE2 4.15Å; M218-F246 HydrophobicContact CB-CZ 4.38Å; M218-F246 HydrophobicContact CG-CZ 4.44Å; F219-F246 HydrophobicContact CB-CE2 3.94Å; F219-F246 HydrophobicContact CB-CZ 3.85Å; F219-F246 HydrophobicContact CD2-CZ 4.32Å; M235-F246 HydrophobicContact CE-CD1 4.09Å; M235-F246 HydrophobicContact CG-CD1 4.18Å; M235-F246 HydrophobicContact SD-CD1 3.78Å; M235-F246 HydrophobicContact SD-CE1 4.06Å; T242-F246 WeakPolarHBondContact O-CB 3.38Å; T242-F246 PolarHBondContact O-N 2.83Å; D243-F246 WeakPolarHBondContact O-CB 3.33Å; D243-F246 PolarHBondContact O-N 2.9Å; I244-F246 VanDerWaalsContact C-N 3.3Å; I244-F246 PolarHBondContact O-N 3.5Å; F246-H248 PolarHBondContact O-N 2.86Å; F246-R249 PolarHBondContact O-N 2.85Å; F246-C250 WeakPolarHBondContact CE2-SG 3.28Å; F246-C250 PolarHBondContact O-N 3.32Å; F246-C250 PolarHBondContact O-SG 2.98Å; F246-M252 HydrophobicContact CD1-CE 4.07Å; F246-M252 HydrophobicContact CE1-CE 3.68Å; F246-M252 HydrophobicContact CZ-CE 4.29Å
247G98.8Very high98.7Very high0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-58.2-47179.500000112.8D243 I244 C250 G251 M252D243-G247 PolarHBondContact O-N 3.39Å; I244-G247 PolarHBondContact O-N 3.35Å; G247-C250 PolarHBondContact O-N 2.82Å; G247-G251 PolarHBondContact O-N 3.09Å; G247-G251 VanDerWaalsContact O-N 3.1Å; G247-M252 PolarHBondContact O-N 3.12Å
248H98.7Very high98.7Very high39 Ų3921.3 Ų21.318%0.18111%0.113CC..Hα-helixtrans-60.9-47.2175.1-78.2-66.4000112.6I244 F246 C250 G251 H276 D277 V279 H281I244-H248 PolarHBondContact O-CD2 2.88Å; I244-H248 PolarHBondContact O-N 2.85Å; F246-H248 PolarHBondContact O-N 2.86Å; H248-C250 PolarHBondContact O-N 3.12Å; H248-G251 PolarHBondContact O-N 3.12Å; H248-H276 PolarHBondContact NE2-O 3.37Å; H248-D277 PolarHBondContact CD2-O 2.98Å; H248-V279 PolarHBondContact NE2-O 3.42Å; H248-H281 AromaticContact CE1-CE1 3.24Å; H248-H281 PolarHBondContact CE1-CE1 2.87Å; H248-H281 AromaticContact CE1-ND1 3.74Å; H248-H281 AromaticContact CE1-NE2 3.85Å; H248-H281 AromaticContact ND1-CE1 3.51Å
249R98.5Very high98.7Very high139 Ų13922.5 Ų22.553%0.52512%0.121SC..Hα-helixtrans-60.4-29.1178.8-76.1174.6174.9-178.8-0.6113.4P214 L245 F246P214-R249 VanDerWaalsContact O-CD 3.26Å; P214-R249 WeakPolarHBondContact O-CD 3.22Å; P214-R249 PolarHBondContact O-NH1 3.17Å; L245-R249 HydrophobicContact CD1-CG 4.34Å; L245-R249 WeakPolarHBondContact O-CB 3.45Å; L245-R249 VanDerWaalsContact O-CG 3.27Å; L245-R249 WeakPolarHBondContact O-CG 3.3Å; L245-R249 PolarHBondContact O-N 3.01Å; F246-R249 PolarHBondContact O-N 2.85Å
250C98.4Very high98.6Very high16 Ų1623.5 Ų23.511%0.10813%0.134CC..Hα-helixtrans-92.3-4.4178.1-57.30000113.2F219 P230 F246 G247 H248 M252F219-C250 VanDerWaalsContact CB-SG 3.55Å; F219-C250 HydrophobicContact CD1-CB 4.28Å; F219-C250 HydrophobicContact CD2-CB 4.21Å; F219-C250 HydrophobicContact CG-CB 4.08Å; P230-C250 WeakPolarHBondContact CB-O 3.48Å; F246-C250 WeakPolarHBondContact CE2-SG 3.28Å; F246-C250 PolarHBondContact O-N 3.32Å; F246-C250 PolarHBondContact O-SG 2.98Å; G247-C250 PolarHBondContact O-N 2.82Å; H248-C250 PolarHBondContact O-N 3.12Å; C250-M252 HydrophobicContact CB-CE 3.52Å; C250-M252 HydrophobicContact CB-CG 4.32Å
251G98.2Very high98.5Very high49 Ų4925 Ų2551%0.50514%0.144SC..THydrogen-bonded Turntrans76.125.3-17800000114.5P230 G247 H248P230-G251 CarbonylContact C-O 3.53Å; G247-G251 PolarHBondContact O-N 3.09Å; G247-G251 VanDerWaalsContact O-N 3.1Å; H248-G251 PolarHBondContact O-N 3.12Å
252M98.7Very high98.5Very high4 Ų422 Ų222%0.0213%0.13CC..  trans-91.5155.9178.1-65.9-174.2-8600112.5L23 F219 P230 T233 M235 F246 G247 C250L23-M252 HydrophobicContact CD2-CE 4.13Å; L23-M252 HydrophobicContact CD2-SD 4.15Å; F219-M252 HydrophobicContact CD2-CE 4.09Å; F219-M252 HydrophobicContact CE2-CE 4.19Å; F219-M252 HydrophobicContact CE2-SD 4.27Å; P230-M252 HydrophobicContact CB-CG 3.97Å; P230-M252 WeakPolarHBondContact O-CA 3.39Å; T233-M252 HydrophobicContact CG2-CG 4.25Å; T233-M252 HydrophobicContact CG2-SD 3.52Å; T233-M252 VanDerWaalsContact CG2-SD 3.52Å; M235-M252 HydrophobicContact CB-CB 4.17Å; M235-M252 HydrophobicContact CB-CE 4.11Å; M235-M252 HydrophobicContact CB-SD 4.14Å; F246-M252 HydrophobicContact CD1-CE 4.07Å; F246-M252 HydrophobicContact CE1-CE 3.68Å; F246-M252 HydrophobicContact CZ-CE 4.29Å; G247-M252 PolarHBondContact O-N 3.12Å; C250-M252 HydrophobicContact CB-CE 3.52Å; C250-M252 HydrophobicContact CB-CG 4.32Å
253T98.7Very high98.5Very high39 Ų3929.7 Ų29.724%0.23916%0.158CC..EExtended strand (participates in β ladder)trans-74.9129.6167.1-61.40000108.8T233 L234 M235 H281 Y282T233-T253 PolarHBondContact O-N 3.4Å; T233-T253 VanDerWaalsContact O-N 3.12Å; L234-T253 CarbonylContact C-O 3.47Å; L234-T253 WeakPolarHBondContact CA-O 3.24Å; L234-T253 HydrophobicContact CD2-CG2 3.89Å; M235-T253 PolarHBondContact N-O 3.02Å; T253-H281 HydrophobicContact CG2-CB 4.1Å; T253-Y282 HydrophobicContact CG2-CD2 3.95Å; T253-Y282 HydrophobicContact CG2-CE2 3.84Å
254T98.9Very high98.5Very high0 Ų031 Ų310%016%0.164CC..EExtended strand (participates in β ladder)trans-106.8132.6-171.158.70000112.3M235 I244 P280 H281 Y282M235-T254 HydrophobicContact CB-CG2 4.5Å; M235-T254 WeakPolarHBondContact O-CA 3.43Å; I244-T254 HydrophobicContact CG2-CG2 4.41Å; T254-P280 WeakPolarHBondContact OG1-CA 3.38Å; T254-H281 PolarHBondContact N-ND1 2.95Å; T254-H281 WeakPolarHBondContact O-CB 3.49Å; T254-H281 PolarHBondContact O-N 2.92Å; T254-H281 VanDerWaalsContact O-N 3.07Å; T254-H281 PolarHBondContact OG1-N 2.67Å; T254-H281 PolarHBondContact OG1-ND1 2.78Å; T254-Y282 PolarHBondContact O-N 2.81Å
255V98.9Very high98.4Very high0 Ų036.8 Ų36.80%019%0.191CC..EExtended strand (participates in β ladder)trans-125.6117.9179.3-173.60000109.2L7 M235 V236 G237 Y282 V284L7-V255 HydrophobicContact CD2-CG1 4.48Å; L7-V255 HydrophobicContact CD2-CG2 4.25Å; M235-V255 PolarHBondContact O-N 3.49Å; V236-V255 WeakPolarHBondContact CA-O 3.47Å; V236-V255 HydrophobicContact CG2-CB 4.18Å; G237-V255 PolarHBondContact N-O 3.09Å; G237-V255 VanDerWaalsContact N-O 3.1Å; V255-Y282 CarbonylContact C-O 3.54Å; V255-Y282 VanDerWaalsContact CA-O 3.31Å; V255-Y282 WeakPolarHBondContact CA-O 3.43Å; V255-V284 HydrophobicContact CG1-CG1 4.34Å; V255-V284 HydrophobicContact CG1-CG2 4.21Å
256L98.9Very high98.4Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-84128.2171.8176.468000110G237 L240 I244 L258 A267 P280 Y282 Y283 V284G237-L256 CarbonylContact O-C 3.47Å; G237-L256 WeakPolarHBondContact O-CA 3.28Å; L240-L256 HydrophobicContact CD2-CD1 4.18Å; L240-L256 HydrophobicContact CD2-CD2 3.92Å; I244-L256 HydrophobicContact CD1-CB 4.27Å; L256-L258 HydrophobicContact CD2-CD2 3.81Å; L256-L258 HydrophobicContact CG-CD2 4.1Å; L256-A267 HydrophobicContact CD2-CB 4.21Å; L256-P280 HydrophobicContact CB-CB 3.81Å; L256-P280 HydrophobicContact CB-CG 3.82Å; L256-P280 HydrophobicContact CD2-CG 4.25Å; L256-Y282 PolarHBondContact N-O 3.23Å; L256-Y283 CarbonylContact O-C 3.38Å; L256-Y283 WeakPolarHBondContact O-CA 3.47Å; L256-Y283 WeakPolarHBondContact O-CB 3.45Å; L256-V284 PolarHBondContact O-N 3.3Å
257T98.9Very high98.4Very high0 Ų039.7 Ų39.70%020%0.204CC..EExtended strand (participates in β ladder)trans-98.5140.7164.6-177.70000110.1V29 G237 D238 T259 I287V29-T257 HydrophobicContact CB-CG2 4.18Å; V29-T257 HydrophobicContact CG1-CG2 4.09Å; V29-T257 HydrophobicContact CG2-CG2 3.71Å; G237-T257 PolarHBondContact O-N 3.04Å; D238-T257 HydrophobicContact CB-CG2 4.13Å; T257-T259 VanDerWaalsContact C-N 3.29Å; T257-T259 WeakPolarHBondContact CG2-OG1 3.33Å; T257-T259 PolarHBondContact O-N 2.88Å; T257-T259 PolarHBondContact OG1-OG1 2.63Å; T257-I287 HydrophobicContact CG2-CG2 4.14Å
258L98.7Very high98.4Very high43 Ų4344.4 Ų44.423%0.22523%0.226CC..THydrogen-bonded Turntrans-92.116.2-176.3-58.2-179.9000113.5L256 G260 L264 Y283 V284 E285L256-L258 HydrophobicContact CD2-CD2 3.81Å; L256-L258 HydrophobicContact CG-CD2 4.1Å; L258-G260 VanDerWaalsContact C-N 3.32Å; L258-L264 HydrophobicContact CD1-CB 4.12Å; L258-L264 HydrophobicContact CD2-CB 4.14Å; L258-Y283 HydrophobicContact CD1-CD2 3.91Å; L258-Y283 HydrophobicContact CD1-CE2 4.23Å; L258-Y283 HydrophobicContact CG-CD2 4.4Å; L258-V284 WeakPolarHBondContact CG-O 3.42Å; L258-V284 PolarHBondContact N-O 2.9Å; L258-V284 VanDerWaalsContact N-O 3.1Å; L258-E285 PolarHBondContact N-O 3.33Å
259T98.2Very high98.4Very high34 Ų3445.4 Ų45.421%0.20924%0.241CC..THydrogen-bonded Turntrans-83-2.2179.8450000114.6G28 N32 V37 T257 E285G28-T259 CarbonylContact O-C 3.48Å; G28-T259 VanDerWaalsContact O-CB 3.31Å; G28-T259 WeakPolarHBondContact O-CB 3.42Å; G28-T259 PolarHBondContact O-OG1 2.79Å; N32-T259 PolarHBondContact ND2-O 2.96Å; V37-T259 HydrophobicContact CG1-CG2 4.04Å; V37-T259 HydrophobicContact CG2-CG2 4.38Å; T257-T259 VanDerWaalsContact C-N 3.29Å; T257-T259 WeakPolarHBondContact CG2-OG1 3.33Å; T257-T259 PolarHBondContact O-N 2.88Å; T257-T259 PolarHBondContact OG1-OG1 2.63Å; T259-E285 WeakPolarHBondContact CG2-O 3.35Å
260G96.9Very high98.4Very high30 Ų3041.1 Ų41.131%0.30923%0.226SC..SBendtrans-136-130.6-169.800000115D238 L258D238-G260 VanDerWaalsContact OD2-CA 3.23Å; D238-G260 WeakPolarHBondContact OD2-CA 3.35Å; L258-G260 VanDerWaalsContact C-N 3.32Å
261V97.2Very high98.3Very high32 Ų3243.3 Ų43.319%0.19424%0.236CC..SBendtrans-72.9-56-165.3172.80000113W181 P183 D238 R239W181-V261 HydrophobicContact CH2-CG1 3.8Å; W181-V261 HydrophobicContact CZ2-CG1 4.41Å; W181-V261 HydrophobicContact CZ3-CG1 4.37Å; P183-V261 HydrophobicContact CG-CG2 4.11Å; D238-V261 WeakPolarHBondContact OD2-CG2 3.49Å; D238-V261 PolarHBondContact OD2-N 3.28Å; R239-V261 HydrophobicContact CB-CB 4.36Å; R239-V261 HydrophobicContact CG-CB 4.41Å; R239-V261 HydrophobicContact CG-CG1 4.18Å
262S98.1Very high98.3Very high4 Ų445.4 Ų45.43%0.02825%0.249CC..  trans-83.2149-172.5-67.80000112.1D238 L240 E266D238-S262 VanDerWaalsContact O-CB 3.26Å; D238-S262 WeakPolarHBondContact O-CB 3.47Å; D238-S262 PolarHBondContact O-N 3.46Å; L240-S262 WeakPolarHBondContact CG-OG 3.37Å; L240-S262 PolarHBondContact N-OG 2.86Å; S262-E266 VanDerWaalsContact CA-OE2 3.22Å; S262-E266 WeakPolarHBondContact CA-OE2 3.38Å
263R98.2Very high98.3Very high171 Ų17148.3 Ų48.365%0.64527%0.273SS*.  trans-105.2158176.9-55.5-177.1176.9175.5-1.6111.6E265 E266 A267R263-E265 VanDerWaalsContact CB-OE2 3.3Å; R263-E265 WeakPolarHBondContact CB-OE2 3.45Å; R263-E265 PolarHBondContact O-N 3.37Å; R263-E266 HydrophobicContact CB-CG 4.36Å; R263-E266 PolarHBondContact N-OE2 3.17Å; R263-E266 WeakPolarHBondContact O-CB 3.44Å; R263-E266 PolarHBondContact O-N 3.37Å; R263-E266 VanDerWaalsContact O-N 3.16Å; R263-A267 PolarHBondContact O-N 3.01Å
264L98.5Very high98.2Very high27 Ų2748.3 Ų48.314%0.14128%0.281CS..Hα-helixtrans-60.7-36177.4-178.660.1000111.7L258 E266 A267 Q268 Y283L258-L264 HydrophobicContact CD1-CB 4.12Å; L258-L264 HydrophobicContact CD2-CB 4.14Å; L264-E266 VanDerWaalsContact C-N 3.29Å; L264-E266 PolarHBondContact O-N 3.2Å; L264-A267 WeakPolarHBondContact O-CB 3.33Å; L264-A267 PolarHBondContact O-N 2.7Å; L264-Q268 HydrophobicContact CG-CG 4.46Å; L264-Q268 WeakPolarHBondContact O-CG 3.44Å; L264-Q268 PolarHBondContact O-N 2.67Å; L264-Y283 HydrophobicContact CD1-CD1 3.71Å; L264-Y283 HydrophobicContact CD1-CD2 4.06Å; L264-Y283 HydrophobicContact CD1-CE1 3.73Å; L264-Y283 HydrophobicContact CD1-CE2 4.1Å; L264-Y283 HydrophobicContact CD1-CG 3.87Å; L264-Y283 HydrophobicContact CD2-CD2 4.48Å; L264-Y283 HydrophobicContact CD2-CE1 4.28Å; L264-Y283 HydrophobicContact CD2-CE2 3.82Å
265E98.5Very high98.1Very high122 Ų12253 Ų5357%0.5730%0.303SS*.Hα-helixtrans-64.4-34178.9-60.276.8-164.700112R263 Q268 A269R263-E265 VanDerWaalsContact CB-OE2 3.3Å; R263-E265 WeakPolarHBondContact CB-OE2 3.45Å; R263-E265 PolarHBondContact O-N 3.37Å; E265-Q268 PolarHBondContact O-N 3.05Å; E265-A269 WeakPolarHBondContact O-CB 3.32Å; E265-A269 PolarHBondContact O-N 3Å
266E98.4Very high98Very high84 Ų8456.9 Ų56.939%0.39332%0.321SS..Hα-helixtrans-67.6-43.2176.3-64.2173.4145.800110.6L240 S262 R263 L264 Q268 A269 Y270L240-E266 HydrophobicContact CD1-CB 3.88Å; S262-E266 VanDerWaalsContact CA-OE2 3.22Å; S262-E266 WeakPolarHBondContact CA-OE2 3.38Å; R263-E266 HydrophobicContact CB-CG 4.36Å; R263-E266 PolarHBondContact N-OE2 3.17Å; R263-E266 WeakPolarHBondContact O-CB 3.44Å; R263-E266 PolarHBondContact O-N 3.37Å; R263-E266 VanDerWaalsContact O-N 3.16Å; L264-E266 VanDerWaalsContact C-N 3.29Å; L264-E266 PolarHBondContact O-N 3.2Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 3.37Å; E266-A269 WeakPolarHBondContact O-CB 3.38Å; E266-A269 PolarHBondContact O-N 2.72Å; E266-Y270 WeakPolarHBondContact O-CD2 3.45Å; E266-Y270 PolarHBondContact O-N 2.66Å
267A98.4Very high98Very high0 Ų061.8 Ų61.80%035%0.347CS..Hα-helixtrans-61.8-41.417500000112L240 L256 R263 L264 Y270 L271 P280L240-A267 HydrophobicContact CD1-CB 3.96Å; L240-A267 HydrophobicContact CD2-CB 4.04Å; L256-A267 HydrophobicContact CD2-CB 4.21Å; R263-A267 PolarHBondContact O-N 3.01Å; L264-A267 WeakPolarHBondContact O-CB 3.33Å; L264-A267 PolarHBondContact O-N 2.7Å; A267-Y270 PolarHBondContact O-N 3.3Å; A267-L271 PolarHBondContact O-N 3.21Å; A267-P280 HydrophobicContact CB-CG 4.21Å
268Q98Very high98Very high99 Ų9962.9 Ų62.946%0.46335%0.353SS..Hα-helixtrans-66.7-36.6175.9-71.5174.1-7.200112.1L264 E265 E266 L271 A272L264-Q268 HydrophobicContact CG-CG 4.46Å; L264-Q268 WeakPolarHBondContact O-CG 3.44Å; L264-Q268 PolarHBondContact O-N 2.67Å; E265-Q268 PolarHBondContact O-N 3.05Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 3.37Å; Q268-L271 PolarHBondContact O-N 3.16Å; Q268-A272 WeakPolarHBondContact O-CB 3.5Å; Q268-A272 PolarHBondContact O-N 3.4Å
269A98.4Very high98Very high60 Ų6060.8 Ų60.850%0.49634%0.342SS..Hα-helixtrans-63.9-44.2174.500000111.6E265 E266 L271 A272 A273E265-A269 WeakPolarHBondContact O-CB 3.32Å; E265-A269 PolarHBondContact O-N 3Å; E266-A269 WeakPolarHBondContact O-CB 3.38Å; E266-A269 PolarHBondContact O-N 2.72Å; A269-L271 VanDerWaalsContact C-N 3.31Å; A269-L271 PolarHBondContact O-N 3.07Å; A269-A272 PolarHBondContact O-N 3.17Å; A269-A273 WeakPolarHBondContact O-CB 3.26Å; A269-A273 PolarHBondContact O-N 3.09Å
270Y98.4Very high98Very high49 Ų4959.2 Ų59.219%0.19233%0.332CS..Hα-helixtrans-61.4-39.3173.4-73.1-50000112.6L240 E241 E266 A267 A273 G274 Q275 L278L240-Y270 HydrophobicContact CB-CE2 4.23Å; L240-Y270 HydrophobicContact CD1-CD2 3.88Å; L240-Y270 HydrophobicContact CD1-CE2 3.89Å; E241-Y270 WeakPolarHBondContact OE1-CE2 3.5Å; E241-Y270 PolarHBondContact OE1-OH 3.01Å; E266-Y270 WeakPolarHBondContact O-CD2 3.45Å; E266-Y270 PolarHBondContact O-N 2.66Å; A267-Y270 PolarHBondContact O-N 3.3Å; Y270-A273 PolarHBondContact O-N 3.15Å; Y270-G274 PolarHBondContact O-N 3.29Å; Y270-G274 VanDerWaalsContact O-N 3.14Å; Y270-Q275 HydrophobicContact CD1-CB 4.01Å; Y270-Q275 HydrophobicContact CD1-CG 4.45Å; Y270-Q275 PolarHBondContact O-N 3.34Å; Y270-L278 HydrophobicContact CD1-CB 4.08Å; Y270-L278 HydrophobicContact CD1-CD1 3.75Å; Y270-L278 HydrophobicContact CD2-CB 3.67Å; Y270-L278 HydrophobicContact CD2-CD1 4.37Å; Y270-L278 HydrophobicContact CE1-CB 4.42Å; Y270-L278 HydrophobicContact CE1-CD1 3.42Å; Y270-L278 VanDerWaalsContact CE1-CD1 3.42Å; Y270-L278 HydrophobicContact CE2-CB 4.03Å; Y270-L278 HydrophobicContact CE2-CD1 4.08Å; Y270-L278 HydrophobicContact CG-CB 3.7Å; Y270-L278 HydrophobicContact CG-CD1 4.23Å
271L98.1Very high98.1Very high62 Ų6259.7 Ų59.733%0.32533%0.326SS..Hα-helixtrans-63-45.8175.7176.960.1000111.6A267 Q268 A269 A273 G274 V279A267-L271 PolarHBondContact O-N 3.21Å; Q268-L271 PolarHBondContact O-N 3.16Å; A269-L271 VanDerWaalsContact C-N 3.31Å; A269-L271 PolarHBondContact O-N 3.07Å; L271-A273 VanDerWaalsContact C-N 3.26Å; L271-A273 PolarHBondContact O-N 3.28Å; L271-G274 PolarHBondContact O-N 3.37Å; L271-G274 VanDerWaalsContact O-N 3.17Å; L271-V279 HydrophobicContact CB-CG1 4.07Å; L271-V279 HydrophobicContact CB-CG2 3.82Å; L271-V279 HydrophobicContact CD1-CG1 4.18Å; L271-V279 HydrophobicContact CD1-CG2 4.34Å
272A97.9Very high98.2Very high94 Ų9460.6 Ų60.678%0.77733%0.327SS*.Hα-helixtrans-63.9-32.2176.800000112.6Q268 A269 G274Q268-A272 WeakPolarHBondContact O-CB 3.5Å; Q268-A272 PolarHBondContact O-N 3.4Å; A269-A272 PolarHBondContact O-N 3.17Å; A272-G274 VanDerWaalsContact C-N 3.32Å
273A98.1Very high98.2Very high64 Ų6462 Ų6253%0.52933%0.332SS..THydrogen-bonded Turntrans-81.6-4.2176.800000114.2A269 Y270 L271 Q275A269-A273 WeakPolarHBondContact O-CB 3.26Å; A269-A273 PolarHBondContact O-N 3.09Å; Y270-A273 PolarHBondContact O-N 3.15Å; L271-A273 VanDerWaalsContact C-N 3.26Å; L271-A273 PolarHBondContact O-N 3.28Å; A273-Q275 VanDerWaalsContact C-N 3.27Å; A273-Q275 HydrophobicContact CB-CG 4.21Å; A273-Q275 PolarHBondContact O-N 3.21Å
274G97.1Very high98.3Very high39 Ų3953.9 Ų53.940%0.40230%0.301SS..THydrogen-bonded Turntrans71.616.9-177.100000114.4Y270 L271 A272 H276Y270-G274 PolarHBondContact O-N 3.29Å; Y270-G274 VanDerWaalsContact O-N 3.14Å; L271-G274 PolarHBondContact O-N 3.37Å; L271-G274 VanDerWaalsContact O-N 3.17Å; A272-G274 VanDerWaalsContact C-N 3.32Å; G274-H276 PolarHBondContact O-CD2 3.45Å; G274-H276 PolarHBondContact O-N 3.02Å
275Q97.4Very high98.3Very high98 Ų9857 Ų5746%0.45832%0.315SS..  trans-83.164.4177.9-64.8-174.7-85.200110.6Y270 A273 D277 L278Y270-Q275 HydrophobicContact CD1-CB 4.01Å; Y270-Q275 HydrophobicContact CD1-CG 4.45Å; Y270-Q275 PolarHBondContact O-N 3.34Å; A273-Q275 VanDerWaalsContact C-N 3.27Å; A273-Q275 HydrophobicContact CB-CG 4.21Å; A273-Q275 PolarHBondContact O-N 3.21Å; Q275-D277 VanDerWaalsContact C-N 3.27Å; Q275-D277 PolarHBondContact O-N 2.84Å; Q275-D277 VanDerWaalsContact O-N 3.11Å; Q275-L278 PolarHBondContact O-N 3.46Å
276H96.5Very high98.3Very high83 Ų8352.1 Ų52.138%0.38429%0.294SS..G310 helixtrans-56.2-31.6-167-65.6-60.5000115.4H248 G274 L278 V279H248-H276 PolarHBondContact NE2-O 3.37Å; G274-H276 PolarHBondContact O-CD2 3.45Å; G274-H276 PolarHBondContact O-N 3.02Å; H276-L278 PolarHBondContact O-N 3.17Å; H276-V279 PolarHBondContact O-N 3.22Å; H276-V279 VanDerWaalsContact O-N 3.13Å
277D98.2Very high98.3Very high102 Ų10248.1 Ų48.155%0.54528%0.275SS..G310 helixtrans-70.8-11.7178.7-63.6-21.3000113.6L245 H248 Q275L245-D277 WeakPolarHBondContact CA-O 3.41Å; L245-D277 HydrophobicContact CD1-CB 3.71Å; H248-D277 PolarHBondContact CD2-O 2.98Å; Q275-D277 VanDerWaalsContact C-N 3.27Å; Q275-D277 PolarHBondContact O-N 2.84Å; Q275-D277 VanDerWaalsContact O-N 3.11Å
278L98.6Very high98.2Very high23 Ų2349.4 Ų49.412%0.1229%0.286CS..G310 helixtrans-105.51.2174.7-62.3175.9000112.3L240 E241 L245 Y270 Q275 H276L240-L278 WeakPolarHBondContact CD2-O 3.42Å; E241-L278 HydrophobicContact CG-CD2 4.4Å; L245-L278 HydrophobicContact CB-CD2 4.08Å; L245-L278 HydrophobicContact CD2-CD2 4.27Å; Y270-L278 HydrophobicContact CD1-CB 4.08Å; Y270-L278 HydrophobicContact CD1-CD1 3.75Å; Y270-L278 HydrophobicContact CD2-CB 3.67Å; Y270-L278 HydrophobicContact CD2-CD1 4.37Å; Y270-L278 HydrophobicContact CE1-CB 4.42Å; Y270-L278 HydrophobicContact CE1-CD1 3.42Å; Y270-L278 VanDerWaalsContact CE1-CD1 3.42Å; Y270-L278 HydrophobicContact CE2-CB 4.03Å; Y270-L278 HydrophobicContact CE2-CD1 4.08Å; Y270-L278 HydrophobicContact CG-CB 3.7Å; Y270-L278 HydrophobicContact CG-CD1 4.23Å; Q275-L278 PolarHBondContact O-N 3.46Å; H276-L278 PolarHBondContact O-N 3.17Å
279V98.8Very high98.2Very high0 Ų046.6 Ų46.60%027%0.274CS..SBendtrans-94.9123.8177.5-1760000108.8A2 C4 H248 L271 H276A2-V279 HydrophobicContact CB-CB 4.09Å; A2-V279 HydrophobicContact CB-CG1 4Å; A2-V279 WeakPolarHBondContact CB-O 3.27Å; C4-V279 HydrophobicContact CB-CG1 3.9Å; H248-V279 PolarHBondContact NE2-O 3.42Å; L271-V279 HydrophobicContact CB-CG1 4.07Å; L271-V279 HydrophobicContact CB-CG2 3.82Å; L271-V279 HydrophobicContact CD1-CG1 4.18Å; L271-V279 HydrophobicContact CD1-CG2 4.34Å; H276-V279 PolarHBondContact O-N 3.22Å; H276-V279 VanDerWaalsContact O-N 3.13Å
280P98.9Very high98.2Very high0 Ų043.9 Ų43.90%025%0.251CS..  trans-71.7147.9176.233.2-36.4000110.5C4 L240 I244 T254 L256 A267 Y282C4-P280 WeakPolarHBondContact CA-O 3.46Å; C4-P280 HydrophobicContact CB-CG 4.27Å; C4-P280 PolarHBondContact N-O 3.41Å; L240-P280 HydrophobicContact CD2-CG 4.26Å; I244-P280 HydrophobicContact CD1-CB 3.92Å; I244-P280 HydrophobicContact CG1-CB 4.16Å; I244-P280 HydrophobicContact CG2-CB 4.04Å; T254-P280 WeakPolarHBondContact OG1-CA 3.38Å; L256-P280 HydrophobicContact CB-CB 3.81Å; L256-P280 HydrophobicContact CB-CG 3.82Å; L256-P280 HydrophobicContact CD2-CG 4.25Å; A267-P280 HydrophobicContact CB-CG 4.21Å; P280-Y282 VanDerWaalsContact C-N 3.26Å; P280-Y282 WeakPolarHBondContact CB-O 3.45Å; P280-Y282 PolarHBondContact O-N 3.27Å
281H98.8Very high98.2Very high41 Ų4142.3 Ų42.319%0.1925%0.247CC..SBendtrans-61-45.1172.8-65.686.8000109.7C4 E5 H248 T253 T254C4-H281 PolarHBondContact N-O 3.01Å; E5-H281 PolarHBondContact N-O 3.44Å; H248-H281 AromaticContact CE1-CE1 3.24Å; H248-H281 PolarHBondContact CE1-CE1 2.87Å; H248-H281 AromaticContact CE1-ND1 3.74Å; H248-H281 AromaticContact CE1-NE2 3.85Å; H248-H281 AromaticContact ND1-CE1 3.51Å; T253-H281 HydrophobicContact CG2-CB 4.1Å; T254-H281 PolarHBondContact N-ND1 2.95Å; T254-H281 WeakPolarHBondContact O-CB 3.49Å; T254-H281 PolarHBondContact O-N 2.92Å; T254-H281 VanDerWaalsContact O-N 3.07Å; T254-H281 PolarHBondContact OG1-N 2.67Å; T254-H281 PolarHBondContact OG1-ND1 2.78Å
282Y98.8Very high98Very high51 Ų5146.2 Ų46.220%0.226%0.263CS..EExtended strand (participates in β ladder)trans-136.6166.1178.1-54.4-78.2000113.6E5 L7 V15 T253 T254 V255 L256 P280E5-Y282 HydrophobicContact CB-CD1 4Å; E5-Y282 HydrophobicContact CB-CE1 4.31Å; E5-Y282 CarbonylContact O-C 3.34Å; E5-Y282 WeakPolarHBondContact O-CA 3.45Å; E5-Y282 WeakPolarHBondContact O-CB 3.26Å; L7-Y282 HydrophobicContact CB-CD1 4.43Å; L7-Y282 HydrophobicContact CB-CG 4.27Å; L7-Y282 HydrophobicContact CD1-CD1 3.75Å; L7-Y282 HydrophobicContact CD1-CD2 4.11Å; L7-Y282 HydrophobicContact CD1-CE1 4.04Å; L7-Y282 HydrophobicContact CD1-CE2 4.37Å; L7-Y282 HydrophobicContact CD1-CG 3.79Å; L7-Y282 HydrophobicContact CD2-CG 4.49Å; L7-Y282 HydrophobicContact CG-CG 4.39Å; V15-Y282 HydrophobicContact CG1-CE2 4.45Å; V15-Y282 HydrophobicContact CG2-CD2 4.47Å; V15-Y282 HydrophobicContact CG2-CE2 3.65Å; T253-Y282 HydrophobicContact CG2-CD2 3.95Å; T253-Y282 HydrophobicContact CG2-CE2 3.84Å; T254-Y282 PolarHBondContact O-N 2.81Å; V255-Y282 CarbonylContact C-O 3.54Å; V255-Y282 VanDerWaalsContact CA-O 3.31Å; V255-Y282 WeakPolarHBondContact CA-O 3.43Å; L256-Y282 PolarHBondContact N-O 3.23Å; P280-Y282 VanDerWaalsContact C-N 3.26Å; P280-Y282 WeakPolarHBondContact CB-O 3.45Å; P280-Y282 PolarHBondContact O-N 3.27Å
283Y98.9Very high97.8Very high34 Ų3442.3 Ų42.313%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-136.5158.3167.476.8-84.8000113C4 E5 R6 L7 L256 L258 L264C4-Y283 WeakPolarHBondContact O-CD1 3.45Å; C4-Y283 VanDerWaalsContact O-CE1 3.31Å; C4-Y283 WeakPolarHBondContact O-CE1 3.28Å; E5-Y283 PolarHBondContact O-N 2.96Å; R6-Y283 WeakPolarHBondContact CA-O 3.3Å; R6-Y283 HydrophobicContact CB-CD1 4.43Å; R6-Y283 HydrophobicContact CB-CE1 3.73Å; R6-Y283 HydrophobicContact CB-CE2 4.15Å; R6-Y283 HydrophobicContact CG-CE1 4.43Å; R6-Y283 HydrophobicContact CG-CE2 3.96Å; L7-Y283 PolarHBondContact N-O 2.74Å; L256-Y283 CarbonylContact O-C 3.38Å; L256-Y283 WeakPolarHBondContact O-CA 3.47Å; L256-Y283 WeakPolarHBondContact O-CB 3.45Å; L258-Y283 HydrophobicContact CD1-CD2 3.91Å; L258-Y283 HydrophobicContact CD1-CE2 4.23Å; L258-Y283 HydrophobicContact CG-CD2 4.4Å; L264-Y283 HydrophobicContact CD1-CD1 3.71Å; L264-Y283 HydrophobicContact CD1-CD2 4.06Å; L264-Y283 HydrophobicContact CD1-CE1 3.73Å; L264-Y283 HydrophobicContact CD1-CE2 4.1Å; L264-Y283 HydrophobicContact CD1-CG 3.87Å; L264-Y283 HydrophobicContact CD2-CD2 4.48Å; L264-Y283 HydrophobicContact CD2-CE1 4.28Å; L264-Y283 HydrophobicContact CD2-CE2 3.82Å
284V98.8Very high97.6Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-134.3154.9173.3-66.80000109.8L7 V255 L256 L258 S286 D289 L290L7-V284 HydrophobicContact CB-CG1 3.93Å; V255-V284 HydrophobicContact CG1-CG1 4.34Å; V255-V284 HydrophobicContact CG1-CG2 4.21Å; L256-V284 PolarHBondContact O-N 3.3Å; L258-V284 WeakPolarHBondContact CG-O 3.42Å; L258-V284 PolarHBondContact N-O 2.9Å; L258-V284 VanDerWaalsContact N-O 3.1Å; V284-S286 VanDerWaalsContact C-N 3.33Å; V284-S286 WeakPolarHBondContact CB-O 3.49Å; V284-S286 WeakPolarHBondContact CG2-O 3.48Å; V284-D289 HydrophobicContact CB-CB 4.12Å; V284-D289 HydrophobicContact CG1-CB 4.17Å; V284-L290 HydrophobicContact CG1-CD2 3.9Å
285E98.6Very high97Very high93 Ų9346.6 Ų46.644%0.43523%0.231SC..SBendtrans-68.6-41.7175-61-78.8-178.900109.6R6 L258 T259 D289R6-E285 IonicContact CZ-OE1 2.99Å; R6-E285 IonicContact NH1-OE1 3.81Å; R6-E285 PolarHBondContact NH1-OE1 3.36Å; R6-E285 VanDerWaalsContact NH1-OE1 3.12Å; R6-E285 IonicContact NH2-OE1 3.23Å; L258-E285 PolarHBondContact N-O 3.33Å; T259-E285 WeakPolarHBondContact CG2-O 3.35Å; E285-D289 WeakPolarHBondContact CB-OD2 3.5Å; E285-D289 PolarHBondContact N-OD2 2.92Å
286S98.6Very high95.4Very high18 Ų1850 Ų5013%0.12625%0.252CS..SBendtrans-143.9152.9175.2172.60000109.4V37 V284 A288 D289V37-S286 VanDerWaalsContact CG1-OG 3.31Å; V37-S286 WeakPolarHBondContact CG1-OG 3.5Å; V284-S286 VanDerWaalsContact C-N 3.33Å; V284-S286 WeakPolarHBondContact CB-O 3.49Å; V284-S286 WeakPolarHBondContact CG2-O 3.48Å; S286-A288 PolarHBondContact O-N 2.98Å; S286-A288 VanDerWaalsContact O-N 3.08Å; S286-A288 PolarHBondContact OG-N 3.41Å; S286-D289 PolarHBondContact N-OD2 3.48Å; S286-D289 VanDerWaalsContact O-CB 3.27Å; S286-D289 WeakPolarHBondContact O-CB 3.45Å; S286-D289 VanDerWaalsContact O-CG 3.25Å; S286-D289 PolarHBondContact O-N 3.17Å
287I98.6Very high95.4Very high0 Ų048.4 Ų48.40%025%0.246CC..G310 helixtrans-58.7-20.817163.3173.4000112.8F24 V29 L30 A40 L43 V236 T257 D289 L290F24-I287 HydrophobicContact CE1-CD1 4.41Å; F24-I287 HydrophobicContact CE1-CG2 4.33Å; V29-I287 HydrophobicContact CG1-CD1 4.19Å; V29-I287 HydrophobicContact CG1-CG2 3.79Å; V29-I287 WeakPolarHBondContact O-CD1 3.41Å; L30-I287 HydrophobicContact CD2-CD1 3.61Å; A40-I287 HydrophobicContact CB-CD1 3.71Å; A40-I287 HydrophobicContact CB-CG1 4.28Å; L43-I287 HydrophobicContact CD2-CB 3.81Å; L43-I287 HydrophobicContact CD2-CD1 4.03Å; L43-I287 HydrophobicContact CD2-CG1 4.01Å; L43-I287 WeakPolarHBondContact CD2-O 3.43Å; V236-I287 HydrophobicContact CG1-CG2 3.64Å; T257-I287 HydrophobicContact CG2-CG2 4.14Å; I287-D289 PolarHBondContact O-N 3.48Å; I287-L290 HydrophobicContact CB-CD1 4.4Å; I287-L290 VanDerWaalsContact O-CB 3.23Å; I287-L290 WeakPolarHBondContact O-CB 3.48Å; I287-L290 WeakPolarHBondContact O-CG 3.29Å; I287-L290 PolarHBondContact O-N 3.25Å
288A97.9Very high95.2Very high27 Ų2745.5 Ų45.522%0.22323%0.23CC..G310 helixtrans-58.4-27.2171.900000113P38 S286 L290 T291P38-A288 WeakPolarHBondContact O-CB 3.34Å; S286-A288 PolarHBondContact O-N 2.98Å; S286-A288 VanDerWaalsContact O-N 3.08Å; S286-A288 PolarHBondContact OG-N 3.41Å; A288-L290 PolarHBondContact O-N 3.28Å; A288-T291 WeakPolarHBondContact O-CB 3.41Å; A288-T291 PolarHBondContact O-N 2.93Å; A288-T291 VanDerWaalsContact O-N 3.13Å; A288-T291 PolarHBondContact O-OG1 3.33Å; A288-T291 VanDerWaalsContact O-OG1 3.14Å
289D98Very high95Very high41 Ų4146.8 Ų46.822%0.21924%0.236CC..G310 helixtrans-63.7-23.9176.2-59.1-11000111.5L12 V284 E285 S286 I287 T291 E292L12-D289 WeakPolarHBondContact CD2-O 3.39Å; V284-D289 HydrophobicContact CB-CB 4.12Å; V284-D289 HydrophobicContact CG1-CB 4.17Å; E285-D289 WeakPolarHBondContact CB-OD2 3.5Å; E285-D289 PolarHBondContact N-OD2 2.92Å; S286-D289 PolarHBondContact N-OD2 3.48Å; S286-D289 VanDerWaalsContact O-CB 3.27Å; S286-D289 WeakPolarHBondContact O-CB 3.45Å; S286-D289 VanDerWaalsContact O-CG 3.25Å; S286-D289 PolarHBondContact O-N 3.17Å; I287-D289 PolarHBondContact O-N 3.48Å; D289-T291 PolarHBondContact O-N 3.41Å; D289-E292 PolarHBondContact O-N 3.39Å
290L98.1Very high94.8Very high3 Ų349.5 Ų49.52%0.01625%0.25CC..G310 helixtrans-68.4-23.4178.4-57.7179000112.4L7 L12 L16 L43 V284 I287 A288 E292 G293L7-L290 HydrophobicContact CD2-CD2 3.84Å; L12-L290 HydrophobicContact CD1-CB 4.49Å; L12-L290 HydrophobicContact CD1-CD2 3.59Å; L16-L290 WeakPolarHBondContact CD1-O 3.45Å; L43-L290 HydrophobicContact CD1-CB 3.77Å; L43-L290 HydrophobicContact CD2-CB 4.44Å; L43-L290 HydrophobicContact CD2-CD1 4.28Å; V284-L290 HydrophobicContact CG1-CD2 3.9Å; I287-L290 HydrophobicContact CB-CD1 4.4Å; I287-L290 VanDerWaalsContact O-CB 3.23Å; I287-L290 WeakPolarHBondContact O-CB 3.48Å; I287-L290 WeakPolarHBondContact O-CG 3.29Å; I287-L290 PolarHBondContact O-N 3.25Å; A288-L290 PolarHBondContact O-N 3.28Å; L290-E292 PolarHBondContact O-N 2.95Å; L290-G293 PolarHBondContact O-N 3.05Å; L290-G293 VanDerWaalsContact O-N 3.08Å
291T96.8Very high94.6Very high16 Ų1652.6 Ų52.610%0.09827%0.266CS..G310 helixtrans-60.9-33.2-179.4-61.60000112.1R46 A288 D289 G293 L294R46-T291 PolarHBondContact NH1-O 3.09Å; R46-T291 PolarHBondContact NH2-O 2.94Å; A288-T291 WeakPolarHBondContact O-CB 3.41Å; A288-T291 PolarHBondContact O-N 2.93Å; A288-T291 VanDerWaalsContact O-N 3.13Å; A288-T291 PolarHBondContact O-OG1 3.33Å; A288-T291 VanDerWaalsContact O-OG1 3.14Å; D289-T291 PolarHBondContact O-N 3.41Å; T291-G293 PolarHBondContact O-N 3.22Å; T291-L294 PolarHBondContact O-N 3.41Å
292E94.7Very high94.3Very high144 Ų14453.4 Ų53.467%0.67327%0.271SS*.G310 helixtrans-64-19.5177-60.5-176.3171.900113.7L12 D289 L290L12-E292 HydrophobicContact CD2-CB 4.15Å; D289-E292 PolarHBondContact O-N 3.39Å; L290-E292 PolarHBondContact O-N 2.95Å
293G94.3Very high94Very high12 Ų1253.6 Ų53.612%0.12428%0.276CS..G310 helixtrans-90.8-7.2-17900000114.8L290 T291L290-G293 PolarHBondContact O-N 3.05Å; L290-G293 VanDerWaalsContact O-N 3.08Å; T291-G293 PolarHBondContact O-N 3.22Å
294L93.8Very high93.6Very high14 Ų1455.1 Ų55.17%0.07329%0.287CS..SBendtrans-97.2142.7176.4-59.8171.5000108.1L16 L43 R46 L47 A50 K52 T291L16-L294 HydrophobicContact CD1-CD2 4.04Å; L16-L294 HydrophobicContact CD1-CG 4.14Å; L43-L294 HydrophobicContact CD1-CD1 4.22Å; R46-L294 HydrophobicContact CB-CD1 3.71Å; R46-L294 VanDerWaalsContact NH2-C 3.28Å; R46-L294 PolarHBondContact NH2-O 2.83Å; L47-L294 HydrophobicContact CD2-CD1 3.86Å; L47-L294 HydrophobicContact CD2-CD2 4.17Å; L47-L294 HydrophobicContact CG-CD1 4.04Å; A50-L294 HydrophobicContact CB-CD2 4.09Å; K52-L294 HydrophobicContact CD-CD2 4.23Å; T291-L294 PolarHBondContact O-N 3.41Å
295E83.3Confident93.2Very high179 Ų17959.7 Ų59.784%0.83631%0.311SS*.  trans-76.7165.3164.7-65.1-178.217100108.8R46R46-E295 PolarHBondContact NH2-O 3.49Å; R46-E295 VanDerWaalsContact NH2-O 3.09Å
296D65.3Low92.7Very high169 Ų16956.6 Ų56.690%0.90430%0.299SS*.  trans-79.60178.9-79-34000113.1R46 R49R46-D296 IonicContact CZ-OD1 2.75Å; R46-D296 IonicContact NE-OD1 2.75Å; R46-D296 IonicContact NH1-OD1 3.82Å; R46-D296 IonicContact NH2-OD1 3.69Å; R46-D296 PolarHBondContact NH2-OD1 3.5Å; R49-D296 PolarHBondContact NH1-OXT 3.49Å

Retrieved 296 of 296 residues in 1788.5 ms (Link to these results)

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