A0A096N0L7_PAPAN Loading...

Phospholipase A2

AlphaFold DB (A0A5F8AEH8), UniProt , Accession A0A096N0L7, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 142 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
1M42.1Very low47.8Very low250 Ų250149.8 Ų149.8100%1.23280%0.795SS**  0104.60-59.4173.8-166.400107.2
2K36.2Very low47.6Very low201 Ų201148.4 Ų148.487%0.87479%0.787SS**  trans-122.7140.9176.6-82.8179.9175.3179.10106.7
3P44.2Very low47.4Very low111 Ų111148.5 Ų148.572%0.72179%0.786SS**  trans-70.4153.5-174.231.7-33.4000110
4P47.2Very low47.2Very low115 Ų115145.6 Ų145.675%0.74778%0.777SS**  trans-69.3136.9-179.429.7-31.9000109.3V6P4-V6 PolarHBondContact O-N 2.97Å
5H49.8Very low47Very low183 Ų183140.6 Ų140.685%0.84776%0.764SS**  trans-57.8104.2167.9-70.7-84.4000108.3L7H5-L7 PolarHBondContact O-N 3.16Å
6V48.4Very low46.6Very low121 Ų121141.1 Ų141.173%0.73377%0.765SS**  trans-60.1105.1168.1-175.50000105.9P4 V8P4-V6 PolarHBondContact O-N 2.97Å; V6-V8 HydrophobicContact CB-CG2 4.28Å; V6-V8 HydrophobicContact CG1-CG2 3.47Å; V6-V8 VanDerWaalsContact CG1-CG2 3.47Å; V6-V8 PolarHBondContact O-N 3.12Å
7L55.5Low46.3Very low148 Ų148137.4 Ų137.478%0.77575%0.748SS**  trans-70.874.3173-150.895.3000107.3H5 F9H5-L7 PolarHBondContact O-N 3.16Å; L7-F9 HydrophobicContact CD2-CD2 4.26Å; L7-F9 HydrophobicContact CG-CD2 4.31Å; L7-F9 PolarHBondContact O-N 3.48Å
8V53.9Low46.1Very low108 Ų108134.6 Ų134.666%0.65574%0.736SS**  trans-7674.9166-173.10000106.4V6 L10V6-V8 HydrophobicContact CB-CG2 4.28Å; V6-V8 HydrophobicContact CG1-CG2 3.47Å; V6-V8 VanDerWaalsContact CG1-CG2 3.47Å; V6-V8 PolarHBondContact O-N 3.12Å; V8-L10 PolarHBondContact O-N 2.95Å
9F52.2Low46.4Very low180 Ų180127.9 Ų127.979%0.78970%0.701SS**  trans-72.289.2153.9-111-88.5000105.5L7 C11L7-F9 HydrophobicContact CD2-CD2 4.26Å; L7-F9 HydrophobicContact CG-CD2 4.31Å; L7-F9 PolarHBondContact O-N 3.48Å; F9-C11 PolarHBondContact O-N 2.9Å
10L49.5Very low47.7Very low124 Ų124121.5 Ų121.565%0.64967%0.666SS**  trans-51.496.9163.3-164.282.3000105.6V8 L12V8-L10 PolarHBondContact O-N 2.95Å; L10-L12 HydrophobicContact CD2-CD1 4.47Å; L10-L12 HydrophobicContact CD2-CG 4.21Å; L10-L12 PolarHBondContact O-N 3.01Å
11C46.6Very low49.3Very low107 Ų107120.6 Ų120.672%0.72366%0.66SS**  trans-67.386.3173.3-154.10000105F9 L13F9-C11 PolarHBondContact O-N 2.9Å; C11-L13 PolarHBondContact O-N 3.09Å
12L46.1Very low51.6Low133 Ų133112.7 Ų112.770%0.69663%0.625SS**  trans-62.177.9164.9-89156.3000106.1L10 V14L10-L12 HydrophobicContact CD2-CD1 4.47Å; L10-L12 HydrophobicContact CD2-CG 4.21Å; L10-L12 PolarHBondContact O-N 3.01Å; L12-V14 HydrophobicContact CB-CG2 4.41Å; L12-V14 HydrophobicContact CD2-CG2 4.06Å; L12-V14 PolarHBondContact O-N 3Å
13L44.8Very low54.4Low149 Ų149105.1 Ų105.178%0.7859%0.593SS**  trans-67.266.5154.7-66.4172.2000106.3C11 A15C11-L13 PolarHBondContact O-N 3.09Å; L13-A15 PolarHBondContact O-N 3.16Å
14V44.3Very low56.9Low108 Ų108100.8 Ų100.866%0.65556%0.563SS**  trans-6687.2147.5-174.20000102.6L12 L16L12-V14 HydrophobicContact CB-CG2 4.41Å; L12-V14 HydrophobicContact CD2-CG2 4.06Å; L12-V14 PolarHBondContact O-N 3Å; V14-L16 PolarHBondContact O-N 3.27Å
15A43.8Very low59.2Low71 Ų7195.8 Ų95.859%0.58753%0.532SS*.  trans-48115.6167.100000104.8L13 V17L13-A15 PolarHBondContact O-N 3.16Å; A15-V17 HydrophobicContact CB-CG2 4.23Å; A15-V17 PolarHBondContact O-N 2.9Å
16L41Very low61.5Low149 Ų14989.9 Ų89.978%0.7851%0.509SS*.  trans-64.274.5176.3-76.5155.4000107.2V14 T18V14-L16 PolarHBondContact O-N 3.27Å; L16-T18 HydrophobicContact CD2-CG2 4.3Å; L16-T18 PolarHBondContact O-N 3.29Å
17V42.2Very low63.8Low77 Ų7784.1 Ų84.147%0.46747%0.474SS..  trans-76.365.5168.9-167.50000106A15 L21 V22A15-V17 HydrophobicContact CB-CG2 4.23Å; A15-V17 PolarHBondContact O-N 2.9Å; V17-L21 HydrophobicContact CG1-CB 4Å; V17-L21 HydrophobicContact CG1-CD1 4.08Å; V17-V22 HydrophobicContact CG1-CG2 4.44Å; V17-V22 VanDerWaalsContact O-CG2 3.27Å; V17-V22 WeakPolarHBondContact O-CG2 3.4Å
18T41.8Very low65.8Low88 Ų8877.5 Ų77.554%0.5444%0.439SS..  trans-106.570.8175.565.30000107.5L16 K83L16-T18 HydrophobicContact CD2-CG2 4.3Å; L16-T18 PolarHBondContact O-N 3.29Å; T18-K83 WeakPolarHBondContact O-CE 3.42Å; T18-K83 PolarHBondContact O-NZ 3.44Å
19G52.4Low67.9Low7 Ų776.6 Ų76.67%0.07243%0.428CS..SBendtrans-153.9177.8175.500000109.6L21 V22G19-L21 PolarHBondContact O-N 3.15Å; G19-V22 PolarHBondContact O-N 3Å
20N71.6Confident70Confident0 Ų074.3 Ų74.30%042%0.418CS..THydrogen-bonded Turntrans-32.4-45.4179-176-5.3000114.7V22 Q23 F24 Y69 P79 E82 Y84 T105 D109N20-V22 CarbonylContact O-C 3.57Å; N20-V22 PolarHBondContact O-N 3.47Å; N20-Q23 WeakPolarHBondContact O-CA 3.26Å; N20-Q23 WeakPolarHBondContact O-CB 3.17Å; N20-Q23 PolarHBondContact O-N 3.09Å; N20-F24 PolarHBondContact O-N 3.38Å; N20-Y69 PolarHBondContact ND2-OH 3.09Å; N20-P79 VanDerWaalsContact CB-O 3.28Å; N20-P79 WeakPolarHBondContact CB-O 3.36Å; N20-P79 PolarHBondContact ND2-O 3.38Å; N20-E82 WeakPolarHBondContact CA-O 3.31Å; N20-E82 WeakPolarHBondContact CB-O 3.25Å; N20-E82 PolarHBondContact N-O 3Å; N20-Y84 VanDerWaalsContact CG-CE1 3.47Å; N20-Y84 WeakPolarHBondContact OD1-CE1 3.46Å; N20-Y84 PolarHBondContact OD1-OH 3.08Å; N20-T105 HydrophobicContact CB-CG2 4.47Å; N20-T105 WeakPolarHBondContact ND2-CG2 3.3Å; N20-D109 PolarHBondContact ND2-OD2 3.26Å; N20-D109 PolarHBondContact OD1-OD2 3.43Å
21L80.9Confident72.3Confident103 Ų10369.2 Ų69.254%0.53939%0.391SS..Hα-helixtrans-43.9-36.4-174.1-69.5160.9000114.7V17 G19 G25V17-L21 HydrophobicContact CG1-CB 4Å; V17-L21 HydrophobicContact CG1-CD1 4.08Å; G19-L21 PolarHBondContact O-N 3.15Å; L21-G25 PolarHBondContact O-N 3.07Å
22V90.3Very high74.7Confident83 Ų8364.8 Ų64.850%0.50336%0.361SS..Hα-helixtrans-67.3-46.1174.4177.80000111.8V17 G19 N20 G25 V26V17-V22 HydrophobicContact CG1-CG2 4.44Å; V17-V22 VanDerWaalsContact O-CG2 3.27Å; V17-V22 WeakPolarHBondContact O-CG2 3.4Å; G19-V22 PolarHBondContact O-N 3Å; N20-V22 CarbonylContact O-C 3.57Å; N20-V22 PolarHBondContact O-N 3.47Å; V22-G25 PolarHBondContact O-N 3.36Å; V22-V26 WeakPolarHBondContact O-CG2 3.45Å; V22-V26 PolarHBondContact O-N 2.88Å
23Q95.2Very high77.1Confident42 Ų4261.9 Ų61.920%0.19636%0.363CS..Hα-helixtrans-65.7-43.6179.6-60.8169.5-26.200111N20 G25 V26 M27 Y84 F86N20-Q23 WeakPolarHBondContact O-CA 3.26Å; N20-Q23 WeakPolarHBondContact O-CB 3.17Å; N20-Q23 PolarHBondContact O-N 3.09Å; Q23-G25 VanDerWaalsContact C-N 3.34Å; Q23-G25 PolarHBondContact O-N 3.03Å; Q23-V26 PolarHBondContact O-N 2.96Å; Q23-M27 WeakPolarHBondContact O-CB 3.49Å; Q23-M27 PolarHBondContact O-N 3.28Å; Q23-Y84 HydrophobicContact CB-CD2 4.44Å; Q23-Y84 HydrophobicContact CB-CE2 3.8Å; Q23-Y84 PolarHBondContact NE2-O 3.33Å; Q23-Y84 PolarHBondContact OE1-O 3.46Å; Q23-F86 HydrophobicContact CB-CE1 4.43Å; Q23-F86 WeakPolarHBondContact O-CE1 2.91Å
24F96.9Very high79.6Confident21 Ų2157.1 Ų57.19%0.09234%0.336CS..Hα-helixtrans-61.7-43.4173.5-174.5-150.7000111.4N20 V26 M27 I28 H65 Y84 D109 A112 A113 F116N20-F24 PolarHBondContact O-N 3.38Å; F24-V26 PolarHBondContact O-N 3.23Å; F24-M27 CarbonylContact O-C 3.53Å; F24-M27 WeakPolarHBondContact O-CA 3.32Å; F24-M27 WeakPolarHBondContact O-CB 3.36Å; F24-M27 PolarHBondContact O-N 3.03Å; F24-M27 VanDerWaalsContact O-N 3.08Å; F24-I28 HydrophobicContact CD1-CD1 4.09Å; F24-I28 HydrophobicContact CD2-CD1 3.98Å; F24-I28 HydrophobicContact CD2-CG1 3.91Å; F24-I28 HydrophobicContact CE1-CD1 3.91Å; F24-I28 HydrophobicContact CE2-CD1 3.8Å; F24-I28 HydrophobicContact CE2-CG1 3.68Å; F24-I28 HydrophobicContact CG-CD1 4.13Å; F24-I28 HydrophobicContact CZ-CD1 3.77Å; F24-I28 HydrophobicContact CZ-CG1 4.11Å; F24-I28 WeakPolarHBondContact O-CG1 3.46Å; F24-I28 PolarHBondContact O-N 2.97Å; F24-H65 AromaticContact CE1-CE1 3.62Å; F24-H65 AromaticContact CE1-NE2 3.85Å; F24-Y84 PolarHBondContact N-OH 3.45Å; F24-D109 HydrophobicContact CB-CB 4.43Å; F24-D109 HydrophobicContact CD2-CB 3.55Å; F24-D109 HydrophobicContact CE2-CB 3.98Å; F24-D109 WeakPolarHBondContact CE2-O 3.42Å; F24-D109 HydrophobicContact CG-CB 4.09Å; F24-A112 HydrophobicContact CE2-CB 3.94Å; F24-A112 HydrophobicContact CZ-CB 3.64Å; F24-A113 HydrophobicContact CE2-CB 4.37Å; F24-F116 HydrophobicContact CE2-CE2 4.29Å; F24-F116 AromaticContact CZ-CE2 3.77Å; F24-F116 HydrophobicContact CZ-CE2 3.77Å; F24-F116 HydrophobicContact CZ-CZ 4.35Å
25G96.4Very high82.1Confident10 Ų1054.2 Ų54.210%0.10332%0.32CS..Hα-helixtrans-56.3-49.7174.700000113L21 V22 Q23 M27 I28 E29 A36L21-G25 PolarHBondContact O-N 3.07Å; V22-G25 PolarHBondContact O-N 3.36Å; Q23-G25 VanDerWaalsContact C-N 3.34Å; Q23-G25 PolarHBondContact O-N 3.03Å; G25-M27 PolarHBondContact O-N 3.46Å; G25-I28 PolarHBondContact O-N 2.98Å; G25-E29 WeakPolarHBondContact O-CG 3.23Å; G25-E29 PolarHBondContact O-N 3.35Å; G25-A36 VanDerWaalsContact CA-CB 3.48Å
26V96.9Very high84.6Confident59 Ų5951.6 Ų51.636%0.35830%0.298SS..Hα-helixtrans-61-36.1175.91780000111.2V22 Q23 F24 K30 F86V22-V26 WeakPolarHBondContact O-CG2 3.45Å; V22-V26 PolarHBondContact O-N 2.88Å; Q23-V26 PolarHBondContact O-N 2.96Å; F24-V26 PolarHBondContact O-N 3.23Å; V26-K30 HydrophobicContact CG1-CD 4.31Å; V26-K30 WeakPolarHBondContact O-CB 3.47Å; V26-K30 WeakPolarHBondContact O-CG 3.37Å; V26-K30 PolarHBondContact O-N 3.11Å; V26-F86 HydrophobicContact CB-CE1 4.5Å; V26-F86 HydrophobicContact CB-CZ 4.15Å; V26-F86 HydrophobicContact CG1-CZ 3.89Å
27M97.8Very high87.1Confident0 Ų049.9 Ų49.90%029%0.289CS..Hα-helixtrans-66.3-46.4176.4-165.9-176.6-62.300111.4Q23 F24 G25 E29 K30 M31 Y84 F86 I93 D109 K110 A113Q23-M27 WeakPolarHBondContact O-CB 3.49Å; Q23-M27 PolarHBondContact O-N 3.28Å; F24-M27 CarbonylContact O-C 3.53Å; F24-M27 WeakPolarHBondContact O-CA 3.32Å; F24-M27 WeakPolarHBondContact O-CB 3.36Å; F24-M27 PolarHBondContact O-N 3.03Å; F24-M27 VanDerWaalsContact O-N 3.08Å; G25-M27 PolarHBondContact O-N 3.46Å; M27-E29 VanDerWaalsContact C-N 3.31Å; M27-E29 PolarHBondContact O-N 3.41Å; M27-K30 PolarHBondContact O-N 3.32Å; M27-M31 HydrophobicContact CG-CG 4.35Å; M27-M31 WeakPolarHBondContact O-CB 3.49Å; M27-M31 VanDerWaalsContact O-CG 3.23Å; M27-M31 WeakPolarHBondContact O-CG 3.44Å; M27-M31 PolarHBondContact O-N 3.34Å; M27-Y84 HydrophobicContact CE-CE2 3.86Å; M27-F86 HydrophobicContact CB-CE1 4.39Å; M27-F86 HydrophobicContact CB-CE2 3.89Å; M27-F86 HydrophobicContact CB-CZ 3.78Å; M27-F86 HydrophobicContact CE-CB 4Å; M27-F86 HydrophobicContact CE-CD1 4.04Å; M27-F86 HydrophobicContact CE-CD2 3.82Å; M27-F86 HydrophobicContact CE-CE1 4.45Å; M27-F86 HydrophobicContact CE-CE2 4.24Å; M27-F86 HydrophobicContact CE-CG 3.69Å; M27-F86 HydrophobicContact CG-CD2 4.31Å; M27-F86 HydrophobicContact CG-CE2 3.94Å; M27-F86 HydrophobicContact CG-CZ 4.35Å; M27-I93 HydrophobicContact CE-CG2 4.1Å; M27-I93 HydrophobicContact CG-CD1 4.04Å; M27-I93 HydrophobicContact SD-CD1 3.89Å; M27-I93 HydrophobicContact SD-CG2 4.21Å; M27-D109 HydrophobicContact CE-CB 4.37Å; M27-D109 HydrophobicContact SD-CB 4.29Å; M27-K110 WeakPolarHBondContact SD-CA 3.21Å; M27-K110 HydrophobicContact SD-CB 4.06Å; M27-K110 PolarHBondContact SD-N 3.05Å; M27-A113 HydrophobicContact CG-CB 3.86Å; M27-A113 HydrophobicContact SD-CB 3.98Å
28I97.5Very high89.6Confident8 Ų849 Ų494%0.04128%0.28CS..Hα-helixtrans-55.4-48.4174.9-68165.7000110.3F24 G25 K30 M31 T32 Y39 F116F24-I28 HydrophobicContact CD1-CD1 4.09Å; F24-I28 HydrophobicContact CD2-CD1 3.98Å; F24-I28 HydrophobicContact CD2-CG1 3.91Å; F24-I28 HydrophobicContact CE1-CD1 3.91Å; F24-I28 HydrophobicContact CE2-CD1 3.8Å; F24-I28 HydrophobicContact CE2-CG1 3.68Å; F24-I28 HydrophobicContact CG-CD1 4.13Å; F24-I28 HydrophobicContact CZ-CD1 3.77Å; F24-I28 HydrophobicContact CZ-CG1 4.11Å; F24-I28 WeakPolarHBondContact O-CG1 3.46Å; F24-I28 PolarHBondContact O-N 2.97Å; G25-I28 PolarHBondContact O-N 2.98Å; I28-K30 PolarHBondContact O-N 2.82Å; I28-M31 PolarHBondContact O-N 2.04Å; I28-T32 HydrophobicContact CG2-CG2 4.33Å; I28-T32 WeakPolarHBondContact O-CB 3.34Å; I28-T32 WeakPolarHBondContact O-CG2 3.2Å; I28-T32 PolarHBondContact O-N 2.81Å; I28-T32 PolarHBondContact O-OG1 3.07Å; I28-Y39 HydrophobicContact CG2-CD2 3.37Å; I28-Y39 HydrophobicContact CG2-CE2 3.63Å; I28-Y39 HydrophobicContact CG2-CG 4.04Å; I28-F116 HydrophobicContact CD1-CD2 4.45Å; I28-F116 HydrophobicContact CD1-CE2 3.95Å; I28-F116 HydrophobicContact CG1-CD2 4Å; I28-F116 HydrophobicContact CG1-CE2 3.94Å
29E97.6Very high92.3Very high90 Ų9045 Ų4542%0.42126%0.255SS..Hα-helixtrans-59.9-47179.8-72.4-177.4178.600111.9G25 M27 M31 G33 K34 A36G25-E29 WeakPolarHBondContact O-CG 3.23Å; G25-E29 PolarHBondContact O-N 3.35Å; M27-E29 VanDerWaalsContact C-N 3.31Å; M27-E29 PolarHBondContact O-N 3.41Å; E29-M31 VanDerWaalsContact C-N 3.31Å; E29-M31 PolarHBondContact O-N 3.48Å; E29-G33 WeakPolarHBondContact O-CA 3.45Å; E29-G33 PolarHBondContact O-N 3.17Å; E29-K34 WeakPolarHBondContact CA-O 3.47Å; E29-K34 WeakPolarHBondContact CG-O 3.46Å; E29-A36 HydrophobicContact CG-CB 4.35Å; E29-A36 PolarHBondContact OE1-N 3.23Å
30K96.9Very high94.2Very high132 Ų13248.8 Ų48.857%0.57427%0.274SS*.Hα-helixtrans-63.6-34.6177.7-75.7-176.8-178.4-63.30113.4V26 M27 I28 F86 V88V26-K30 HydrophobicContact CG1-CD 4.31Å; V26-K30 WeakPolarHBondContact O-CB 3.47Å; V26-K30 WeakPolarHBondContact O-CG 3.37Å; V26-K30 PolarHBondContact O-N 3.11Å; M27-K30 PolarHBondContact O-N 3.32Å; I28-K30 PolarHBondContact O-N 2.82Å; K30-F86 HydrophobicContact CD-CE2 4.19Å; K30-V88 HydrophobicContact CB-CG2 4.25Å; K30-V88 HydrophobicContact CD-CB 4.32Å; K30-V88 HydrophobicContact CD-CG2 3.73Å
31M97.3Very high95.4Very high17 Ų1751.9 Ų51.98%0.08429%0.291CS..Hα-helixtrans-87.5-27.8-175.6-63.9-44.4-59.300113.7M27 I28 E29 V88 I93 A113 L114 R117M27-M31 HydrophobicContact CG-CG 4.35Å; M27-M31 WeakPolarHBondContact O-CB 3.49Å; M27-M31 VanDerWaalsContact O-CG 3.23Å; M27-M31 WeakPolarHBondContact O-CG 3.44Å; M27-M31 PolarHBondContact O-N 3.34Å; I28-M31 PolarHBondContact O-N 2.04Å; E29-M31 VanDerWaalsContact C-N 3.31Å; E29-M31 PolarHBondContact O-N 3.48Å; M31-V88 HydrophobicContact SD-CG1 4.1Å; M31-V88 HydrophobicContact SD-CG2 4.47Å; M31-I93 HydrophobicContact CE-CD1 4.19Å; M31-I93 HydrophobicContact CE-CG1 4.37Å; M31-I93 HydrophobicContact CG-CD1 3.75Å; M31-I93 HydrophobicContact CG-CG1 4.38Å; M31-I93 HydrophobicContact SD-CD1 3.65Å; M31-I93 HydrophobicContact SD-CG1 3.65Å; M31-A113 HydrophobicContact CB-CB 4.25Å; M31-A113 HydrophobicContact CG-CB 3.95Å; M31-L114 HydrophobicContact CE-CD2 3.68Å; M31-R117 HydrophobicContact CB-CB 4.45Å; M31-R117 VanDerWaalsContact CE-NH1 3.29Å; M31-R117 WeakPolarHBondContact O-CB 3.48Å; M31-R117 VanDerWaalsContact O-CD 3.3Å; M31-R117 WeakPolarHBondContact O-CD 3.26Å; M31-R117 WeakPolarHBondContact O-CG 3.37Å
32T96.9Very high96.2Very high14 Ų1447 Ų479%0.08627%0.265CS..Hα-helixtrans-114.4-18.2-170.970.50000113.6I28 K34 Y39 F116I28-T32 HydrophobicContact CG2-CG2 4.33Å; I28-T32 WeakPolarHBondContact O-CB 3.34Å; I28-T32 WeakPolarHBondContact O-CG2 3.2Å; I28-T32 PolarHBondContact O-N 2.81Å; I28-T32 PolarHBondContact O-OG1 3.07Å; T32-K34 PolarHBondContact O-N 2.84Å; T32-K34 PolarHBondContact OG1-N 3.38Å; T32-Y39 WeakPolarHBondContact CB-OH 3.05Å; T32-Y39 HydrophobicContact CG2-CE2 4.21Å; T32-Y39 WeakPolarHBondContact CG2-OH 3.42Å; T32-F116 HydrophobicContact CG2-CB 3.69Å
33G97.3Very high96.6Very high72 Ų7243.2 Ų43.274%0.74224%0.242SC*.SBendtrans68.210.9-173.400000114.2E29E29-G33 WeakPolarHBondContact O-CA 3.45Å; E29-G33 PolarHBondContact O-N 3.17Å
34K96.4Very high96.8Very high49 Ų4941.6 Ų41.621%0.21324%0.235CC..SBendtrans-113.4151178.5-65.8-176.4-163.7-68.10109.7E29 T32 Y39 L120 Y123E29-K34 WeakPolarHBondContact CA-O 3.47Å; E29-K34 WeakPolarHBondContact CG-O 3.46Å; T32-K34 PolarHBondContact O-N 2.84Å; T32-K34 PolarHBondContact OG1-N 3.38Å; K34-Y39 HydrophobicContact CB-CE2 3.87Å; K34-Y39 HydrophobicContact CD-CE2 4.02Å; K34-L120 HydrophobicContact CD-CD2 4.31Å; K34-L120 VanDerWaalsContact CE-CD2 3.41Å; K34-Y123 HydrophobicContact CD-CD1 4.33Å; K34-Y123 HydrophobicContact CD-CE1 4.19Å; K34-Y123 HydrophobicContact CD-CE2 4.44Å
35S96.6Very high96.8Very high47 Ų4741.1 Ų41.133%0.32923%0.233SC..  trans-59.6140.3175.1175.30000110.6L37 Q38S35-L37 PolarHBondContact O-N 2.99Å; S35-L37 VanDerWaalsContact O-N 3.16Å; S35-L37 PolarHBondContact OG-N 3.09Å; S35-Q38 VanDerWaalsContact O-CB 3.31Å; S35-Q38 WeakPolarHBondContact O-CB 3.45Å; S35-Q38 PolarHBondContact O-N 2.7Å
36A95.8Very high96.9Very high15 Ų1541 Ų4112%0.12423%0.231CC..G310 helixtrans-58.1-27.3175.500000112.9G25 E29 Q38 Y39 N40G25-A36 VanDerWaalsContact CA-CB 3.48Å; E29-A36 HydrophobicContact CG-CB 4.35Å; E29-A36 PolarHBondContact OE1-N 3.23Å; A36-Q38 PolarHBondContact O-N 3.35Å; A36-Q38 VanDerWaalsContact O-N 3.13Å; A36-Y39 PolarHBondContact O-N 3.2Å; A36-N40 PolarHBondContact O-N 3.47Å
37L93.8Very high96.7Very high113 Ų11340 Ų4059%0.59223%0.232SC*.G310 helixtrans-62.1-17.9175.5-61179.9000113.3S35 Y39 N40S35-L37 PolarHBondContact O-N 2.99Å; S35-L37 VanDerWaalsContact O-N 3.16Å; S35-L37 PolarHBondContact OG-N 3.09Å; L37-Y39 VanDerWaalsContact C-N 3.28Å; L37-N40 VanDerWaalsContact CA-OD1 3.25Å; L37-N40 WeakPolarHBondContact CA-OD1 3.47Å; L37-N40 PolarHBondContact O-OD1 3.29Å
38Q95.8Very high96.2Very high58 Ų5847 Ų4727%0.27128%0.275SS..G310 helixtrans-83.6-6.1176.6-56.8-165.8-98.600113.5S35 A36 Y123S35-Q38 VanDerWaalsContact O-CB 3.31Å; S35-Q38 WeakPolarHBondContact O-CB 3.45Å; S35-Q38 PolarHBondContact O-N 2.7Å; A36-Q38 PolarHBondContact O-N 3.35Å; A36-Q38 VanDerWaalsContact O-N 3.13Å; Q38-Y123 WeakPolarHBondContact CB-OH 3.46Å; Q38-Y123 PolarHBondContact O-OH 2.76Å
39Y97.2Very high95.5Very high4 Ų448.9 Ų48.92%0.01630%0.296CS..THydrogen-bonded Turntrans-122.2-22.9179.8-68-89000112.9I28 T32 K34 A36 L37 D41 C46 T58 F116 Y123I28-Y39 HydrophobicContact CG2-CD2 3.37Å; I28-Y39 HydrophobicContact CG2-CE2 3.63Å; I28-Y39 HydrophobicContact CG2-CG 4.04Å; T32-Y39 WeakPolarHBondContact CB-OH 3.05Å; T32-Y39 HydrophobicContact CG2-CE2 4.21Å; T32-Y39 WeakPolarHBondContact CG2-OH 3.42Å; K34-Y39 HydrophobicContact CB-CE2 3.87Å; K34-Y39 HydrophobicContact CD-CE2 4.02Å; A36-Y39 PolarHBondContact O-N 3.2Å; L37-Y39 VanDerWaalsContact C-N 3.28Å; Y39-D41 PolarHBondContact O-N 3.16Å; Y39-C46 WeakPolarHBondContact O-CB 3.18Å; Y39-T58 HydrophobicContact CD1-CG2 3.89Å; Y39-T58 HydrophobicContact CE1-CG2 3.77Å; Y39-F116 HydrophobicContact CD1-CB 4.46Å; Y39-F116 AromaticContact CD1-CD1 3.96Å; Y39-F116 HydrophobicContact CD1-CD1 3.96Å; Y39-F116 HydrophobicContact CD1-CD2 4.09Å; Y39-F116 HydrophobicContact CD1-CE1 4.14Å; Y39-F116 HydrophobicContact CD1-CE2 4.3Å; Y39-F116 AromaticContact CD1-CG 3.94Å; Y39-F116 HydrophobicContact CD1-CG 3.94Å; Y39-F116 HydrophobicContact CD1-CZ 4.33Å; Y39-F116 HydrophobicContact CE1-CB 3.8Å; Y39-F116 AromaticContact CE1-CD1 3.95Å; Y39-F116 HydrophobicContact CE1-CD1 3.95Å; Y39-F116 HydrophobicContact CE1-CD2 4.25Å; Y39-F116 AromaticContact CE1-CG 3.77Å; Y39-F116 HydrophobicContact CE1-CG 3.77Å; Y39-Y123 HydrophobicContact CD1-CE2 4.15Å; Y39-Y123 AromaticContact CE1-CD2 3.76Å; Y39-Y123 HydrophobicContact CE1-CD2 3.76Å; Y39-Y123 AromaticContact CE1-CE2 3.68Å; Y39-Y123 HydrophobicContact CE1-CE2 3.68Å; Y39-Y123 HydrophobicContact CE2-CE2 4.48Å; Y39-Y123 AromaticContact CZ-CD2 3.99Å; Y39-Y123 AromaticContact CZ-CE2 3.88Å
40N93.8Very high95.3Very high87 Ų8746.3 Ų46.347%0.46529%0.294SS..THydrogen-bonded Turntrans-76.70.8-176.573.3-22.4000114.8A36 L37 C46 G47A36-N40 PolarHBondContact O-N 3.47Å; L37-N40 VanDerWaalsContact CA-OD1 3.25Å; L37-N40 WeakPolarHBondContact CA-OD1 3.47Å; L37-N40 PolarHBondContact O-OD1 3.29Å; N40-C46 CarbonylContact C-O 3.49Å; N40-G47 WeakPolarHBondContact O-CA 2.95Å
41D95.7Very high95.2Very high66 Ų6642.3 Ų42.335%0.35328%0.282SS..THydrogen-bonded Turntrans-152.864175.1-173.726.8000107.8Y39 C46 H129Y39-D41 PolarHBondContact O-N 3.16Å; D41-C46 CarbonylContact C-O 3.59Å; D41-C46 WeakPolarHBondContact CA-O 3.34Å; D41-C46 PolarHBondContact N-O 2.96Å; D41-H129 WeakPolarHBondContact O-CA 3.45Å; D41-H129 PolarHBondContact O-N 2.99Å; D41-H129 WeakPolarHBondContact OD2-CA 3.45Å; D41-H129 IonicContact OD2-CE1 2.72Å; D41-H129 IonicContact OD2-CG 3.64Å; D41-H129 IonicContact OD2-ND1 3.72Å; D41-H129 PolarHBondContact OD2-ND1 2.84Å
42Y98.3Very high95.3Very high1 Ų144.9 Ų44.90%0.00429%0.294CS..BIsolated β-bridgetrans-125.5132.3-175.9-175.9-76.8000111.2C46 V55 D56 T58 Y123 N124 Y127 A128Y42-C46 PolarHBondContact N-O 2.99Å; Y42-C46 WeakPolarHBondContact O-CB 3.44Å; Y42-C46 PolarHBondContact O-N 3.21Å; Y42-C46 VanDerWaalsContact O-N 3.09Å; Y42-C46 PolarHBondContact O-SG 2.84Å; Y42-V55 HydrophobicContact CE1-CG2 4.47Å; Y42-D56 WeakPolarHBondContact CE1-OD1 3.29Å; Y42-D56 PolarHBondContact OH-OD2 3.31Å; Y42-T58 HydrophobicContact CD1-CG2 3.94Å; Y42-T58 HydrophobicContact CE1-CG2 3.77Å; Y42-T58 HydrophobicContact CG-CG2 4.48Å; Y42-Y123 AromaticContact CD2-CE2 3.72Å; Y42-Y123 HydrophobicContact CD2-CE2 3.72Å; Y42-Y123 AromaticContact CE2-CD2 3.89Å; Y42-Y123 HydrophobicContact CE2-CD2 3.89Å; Y42-Y123 HydrophobicContact CE2-CE1 4.41Å; Y42-Y123 AromaticContact CE2-CE2 3.38Å; Y42-Y123 HydrophobicContact CE2-CE2 3.38Å; Y42-Y123 AromaticContact CE2-CZ 3.66Å; Y42-N124 VanDerWaalsContact CE2-O 3.26Å; Y42-N124 WeakPolarHBondContact CE2-O 3.01Å; Y42-N124 PolarHBondContact OH-N 3.12Å; Y42-N124 PolarHBondContact OH-O 2.86Å; Y42-Y127 CarbonylContact C-O 3.59Å; Y42-Y127 VanDerWaalsContact CA-O 3.27Å; Y42-Y127 WeakPolarHBondContact CA-O 3.33Å; Y42-Y127 HydrophobicContact CE1-CD2 4.44Å; Y42-Y127 HydrophobicContact CE1-CG 4.49Å; Y42-Y127 VanDerWaalsContact CZ-CB 3.47Å; Y42-A128 HydrophobicContact CD2-CB 4.31Å
43G98.4Very high95.3Very high2 Ų250.5 Ų50.52%0.02131%0.314CS..THydrogen-bonded Turntrans62.3-137.8176.900000112.5Y127G43-Y127 PolarHBondContact N-O 3.47Å
44C98.6Very high95.4Very high8 Ų847.3 Ų47.35%0.05428%0.28CS..THydrogen-bonded Turntrans-106.7-11.3-175.5-65.60000113.8G50 S51 V55 D59 C135C44-G50 WeakPolarHBondContact O-CA 3.46Å; C44-S51 PolarHBondContact O-N 3.08Å; C44-V55 VanDerWaalsContact SG-CG1 3.55Å; C44-D59 WeakPolarHBondContact CB-OD2 3.35Å; C44-D59 VanDerWaalsContact N-CG 3.28Å; C44-D59 PolarHBondContact N-OD1 2.03Å; C44-D59 VanDerWaalsContact N-OD1 3.1Å; C44-D59 PolarHBondContact N-OD2 2.79Å; C44-C135 WeakPolarHBondContact CA-SG 2.95Å; C44-C135 HydrophobicContact CB-CB 3.84Å; C44-C135 WeakPolarHBondContact CB-SG 3.43Å; C44-C135 VanDerWaalsContact SG-CA 3.51Å; C44-C135 WeakPolarHBondContact SG-CB 3.41Å; C44-C135 CovalentContact SG-SG 2.03Å; C44-C135 PolarHBondContact SG-SG 3.15Å
45Y98.5Very high95.5Very high11 Ų1146.7 Ų46.74%0.04328%0.28CS..THydrogen-bonded Turntrans-124.6-33.2-175.6-76-90.5000114.3G47 H52 P54 D59 H63 T139 P140Y45-G47 PolarHBondContact O-N 2.96Å; Y45-H52 WeakPolarHBondContact CE2-O 3.45Å; Y45-H52 PolarHBondContact OH-O 3.36Å; Y45-P54 HydrophobicContact CD2-CB 4.26Å; Y45-P54 HydrophobicContact CD2-CG 3.87Å; Y45-P54 HydrophobicContact CE2-CB 4.42Å; Y45-P54 HydrophobicContact CE2-CG 3.65Å; Y45-D59 WeakPolarHBondContact CB-OD1 3.48Å; Y45-D59 PolarHBondContact N-OD1 3.16Å; Y45-H63 HydrophobicContact CD1-CB 3.83Å; Y45-H63 HydrophobicContact CD2-CB 4.21Å; Y45-H63 HydrophobicContact CE1-CB 4.13Å; Y45-H63 AromaticContact CE1-CD2 3.48Å; Y45-H63 VanDerWaalsContact CE1-CD2 3.48Å; Y45-H63 WeakPolarHBondContact CE1-CD2 3.33Å; Y45-H63 HydrophobicContact CE2-CB 4.47Å; Y45-H63 HydrophobicContact CG-CB 3.87Å; Y45-H63 AromaticContact CZ-CD2 3.59Å; Y45-T139 VanDerWaalsContact OH-CG2 3.31Å; Y45-T139 WeakPolarHBondContact OH-CG2 3.44Å; Y45-P140 WeakPolarHBondContact OH-CD 3.31Å
46C97.8Very high95.6Very high8 Ų845.6 Ų45.65%0.05427%0.27CS..BIsolated β-bridgetrans-72.4102.8-174.6-46.40000111.3Y39 N40 D41 Y42 C62Y39-C46 WeakPolarHBondContact O-CB 3.18Å; N40-C46 CarbonylContact C-O 3.49Å; D41-C46 CarbonylContact C-O 3.59Å; D41-C46 WeakPolarHBondContact CA-O 3.34Å; D41-C46 PolarHBondContact N-O 2.96Å; Y42-C46 PolarHBondContact N-O 2.99Å; Y42-C46 WeakPolarHBondContact O-CB 3.44Å; Y42-C46 PolarHBondContact O-N 3.21Å; Y42-C46 VanDerWaalsContact O-N 3.09Å; Y42-C46 PolarHBondContact O-SG 2.84Å; C46-C62 WeakPolarHBondContact CA-SG 3.36Å; C46-C62 HydrophobicContact CB-CB 3.7Å; C46-C62 WeakPolarHBondContact CB-SG 3.48Å; C46-C62 WeakPolarHBondContact SG-CB 3.37Å; C46-C62 CovalentContact SG-SG 2.01Å; C46-C62 PolarHBondContact SG-SG 2.72Å
47G93.1Very high95.7Very high38 Ų3849.9 Ų49.939%0.39229%0.288SS..SBendtrans145.5-146.2-17700000111.7N40 Y45N40-G47 WeakPolarHBondContact O-CA 2.95Å; Y45-G47 PolarHBondContact O-N 2.96Å
48V86.8Confident96Very high147 Ų14744.5 Ų44.589%0.89126%0.26SS*.SBendtrans-91.7118.9175.9178.20000109.9
49G83.3Confident96.1Very high47 Ų4741.7 Ų41.749%0.48525%0.247SC..SBendtrans98.7-144177.300000111
50G92.3Very high96.2Very high37 Ų3745 Ų4538%0.38126%0.259SS..  trans142.8129.7178.200000111.8C44C44-G50 WeakPolarHBondContact O-CA 3.46Å
51S95.7Very high96.4Very high47 Ų4741 Ų4133%0.32924%0.238SC..  trans-160.7164.1179.364.10000112.1C44C44-S51 PolarHBondContact O-N 3.08Å
52H98.4Very high96.6Very high72 Ų7238.1 Ų38.133%0.33322%0.223SC..SBendtrans64.8-166.6-179.5-53.879.6000112.8Y45 C135 T136 G137 P138 T139 P140Y45-H52 WeakPolarHBondContact CE2-O 3.45Å; Y45-H52 PolarHBondContact OH-O 3.36Å; H52-C135 HydrophobicContact CB-CB 4.03Å; H52-T136 WeakPolarHBondContact CB-O 3.34Å; H52-G137 WeakPolarHBondContact CA-O 3.35Å; H52-G137 WeakPolarHBondContact CB-O 3.41Å; H52-G137 PolarHBondContact CD2-O 2.93Å; H52-P138 CarbonylContact C-O 3.57Å; H52-P138 VanDerWaalsContact C-O 3.27Å; H52-T139 PolarHBondContact N-OG1 2.81Å; H52-P140 VanDerWaalsContact O-CD 3.26Å; H52-P140 WeakPolarHBondContact O-CD 3.36Å
53W98.7Very high96.6Very high132 Ų13238.8 Ų38.850%0.523%0.226SC..SBendtrans-81.4134.2-173.5-162.7-96.1000112W60 T136 P138 P140W53-W60 HydrophobicContact CD2-CZ2 4.4Å; W53-W60 AromaticContact CE2-CZ2 3.81Å; W53-W60 HydrophobicContact CH2-CH2 4.24Å; W53-W60 HydrophobicContact CH2-CZ2 4.06Å; W53-W60 HydrophobicContact CZ2-CH2 4.28Å; W53-W60 AromaticContact CZ2-CZ2 3.64Å; W53-W60 HydrophobicContact CZ2-CZ2 3.64Å; W53-T136 WeakPolarHBondContact CB-O 3.44Å; W53-T136 PolarHBondContact N-O 2.98Å; W53-T136 VanDerWaalsContact N-O 3.11Å; W53-P138 HydrophobicContact CE3-CG 4.13Å; W53-P138 HydrophobicContact CZ3-CG 4.45Å; W53-P138 PolarHBondContact N-O 3.46Å; W53-P140 HydrophobicContact CD2-CG 4.42Å; W53-P140 HydrophobicContact CE3-CG 3.75Å; W53-P140 HydrophobicContact CZ3-CB 4.4Å; W53-P140 HydrophobicContact CZ3-CG 3.87Å
54P98.7Very high96.6Very high5 Ų541 Ų413%0.03225%0.245CC..  trans-61.3139.3176.9-23.934.1000112.9Y45 D59 W60 H63 P140Y45-P54 HydrophobicContact CD2-CB 4.26Å; Y45-P54 HydrophobicContact CD2-CG 3.87Å; Y45-P54 HydrophobicContact CE2-CB 4.42Å; Y45-P54 HydrophobicContact CE2-CG 3.65Å; P54-D59 VanDerWaalsContact CA-OD2 3.22Å; P54-D59 WeakPolarHBondContact CA-OD2 3.06Å; P54-D59 HydrophobicContact CB-CB 3.95Å; P54-W60 HydrophobicContact CB-CD2 3.88Å; P54-W60 HydrophobicContact CB-CG 3.9Å; P54-W60 HydrophobicContact CB-CZ2 4.43Å; P54-W60 HydrophobicContact CG-CD2 3.61Å; P54-W60 HydrophobicContact CG-CE3 3.81Å; P54-W60 HydrophobicContact CG-CG 4.16Å; P54-W60 HydrophobicContact CG-CH2 4.05Å; P54-W60 HydrophobicContact CG-CZ2 3.82Å; P54-W60 HydrophobicContact CG-CZ3 4.03Å; P54-H63 HydrophobicContact CG-CB 4.3Å; P54-P140 HydrophobicContact CG-CG 4.25Å
55V98.6Very high96.6Very high35 Ų3541.6 Ų41.621%0.21225%0.247CC..SBendtrans-78-24.5-171.1-59.90000114.2Y42 C44 D59 Y127 Y130Y42-V55 HydrophobicContact CE1-CG2 4.47Å; C44-V55 VanDerWaalsContact SG-CG1 3.55Å; V55-D59 HydrophobicContact CG2-CB 3.92Å; V55-D59 PolarHBondContact N-OD2 3.21Å; V55-Y127 HydrophobicContact CB-CD1 4.02Å; V55-Y127 HydrophobicContact CB-CE1 3.82Å; V55-Y127 HydrophobicContact CB-CE2 4.47Å; V55-Y127 HydrophobicContact CB-CG 4.42Å; V55-Y127 HydrophobicContact CG1-CD1 4.44Å; V55-Y127 HydrophobicContact CG1-CE1 4.34Å; V55-Y127 HydrophobicContact CG2-CD1 3.7Å; V55-Y127 HydrophobicContact CG2-CD2 3.92Å; V55-Y127 HydrophobicContact CG2-CE1 3.99Å; V55-Y127 HydrophobicContact CG2-CE2 4.23Å; V55-Y127 HydrophobicContact CG2-CG 3.67Å; V55-Y130 HydrophobicContact CG1-CD1 4.23Å; V55-Y130 HydrophobicContact CG1-CE1 3.83Å
56D98.7Very high96.6Very high24 Ų2443.3 Ų43.313%0.12826%0.256CS..SBendtrans-162.7-176.4175.469.815.8000111.9Y42 T58 D59 W60 Y127Y42-D56 WeakPolarHBondContact CE1-OD1 3.29Å; Y42-D56 PolarHBondContact OH-OD2 3.31Å; D56-T58 VanDerWaalsContact C-N 3.25Å; D56-T58 PolarHBondContact O-N 2.94Å; D56-T58 WeakPolarHBondContact OD1-CA 3.38Å; D56-T58 VanDerWaalsContact OD1-CB 3.25Å; D56-T58 WeakPolarHBondContact OD1-CB 3.34Å; D56-T58 PolarHBondContact OD1-N 3.45Å; D56-D59 WeakPolarHBondContact O-CB 3.45Å; D56-D59 PolarHBondContact O-N 3.36Å; D56-D59 VanDerWaalsContact O-N 3.15Å; D56-D59 PolarHBondContact OD1-N 3.31Å; D56-W60 VanDerWaalsContact O-CD1 3.23Å; D56-W60 PolarHBondContact O-N 3.39Å; D56-Y127 HydrophobicContact CB-CE2 4.33Å; D56-Y127 WeakPolarHBondContact OD2-CD2 3.45Å
57E98.8Very high96.6Very high105 Ų10543.3 Ų43.349%0.49126%0.257SS..Hα-helixtrans-64-23.1178.6-64.9-60.6148.100114.6C61 N119E57-C61 PolarHBondContact O-N 3.5Å; E57-C61 PolarHBondContact O-SG 2.58Å; E57-N119 HydrophobicContact CB-CB 4.18Å; E57-N119 PolarHBondContact O-ND2 2.83Å
58T98.8Very high96.9Very high0 Ų042 Ų420%024%0.241CC..Hα-helixtrans-72.6-42.8172.9-62.90000109.6Y39 Y42 D56 W60 C61 F116 Y123Y39-T58 HydrophobicContact CD1-CG2 3.89Å; Y39-T58 HydrophobicContact CE1-CG2 3.77Å; Y42-T58 HydrophobicContact CD1-CG2 3.94Å; Y42-T58 HydrophobicContact CE1-CG2 3.77Å; Y42-T58 HydrophobicContact CG-CG2 4.48Å; D56-T58 VanDerWaalsContact C-N 3.25Å; D56-T58 PolarHBondContact O-N 2.94Å; D56-T58 WeakPolarHBondContact OD1-CA 3.38Å; D56-T58 VanDerWaalsContact OD1-CB 3.25Å; D56-T58 WeakPolarHBondContact OD1-CB 3.34Å; D56-T58 PolarHBondContact OD1-N 3.45Å; T58-W60 VanDerWaalsContact C-N 3.32Å; T58-W60 PolarHBondContact O-N 2.93Å; T58-C61 WeakPolarHBondContact O-CB 3.01Å; T58-C61 PolarHBondContact O-N 2.7Å; T58-C61 VanDerWaalsContact O-N 3.08Å; T58-F116 HydrophobicContact CG2-CD1 3.92Å; T58-F116 HydrophobicContact CG2-CE1 4.16Å; T58-Y123 HydrophobicContact CG2-CD2 4.18Å
59D98.8Very high97.4Very high0 Ų035.5 Ų35.50%020%0.2CC..Hα-helixtrans-66.4-34.8178.2-158.626.5000112C44 Y45 P54 V55 D56 C61 C62 H63C44-D59 WeakPolarHBondContact CB-OD2 3.35Å; C44-D59 VanDerWaalsContact N-CG 3.28Å; C44-D59 PolarHBondContact N-OD1 2.03Å; C44-D59 VanDerWaalsContact N-OD1 3.1Å; C44-D59 PolarHBondContact N-OD2 2.79Å; Y45-D59 WeakPolarHBondContact CB-OD1 3.48Å; Y45-D59 PolarHBondContact N-OD1 3.16Å; P54-D59 VanDerWaalsContact CA-OD2 3.22Å; P54-D59 WeakPolarHBondContact CA-OD2 3.06Å; P54-D59 HydrophobicContact CB-CB 3.95Å; V55-D59 HydrophobicContact CG2-CB 3.92Å; V55-D59 PolarHBondContact N-OD2 3.21Å; D56-D59 WeakPolarHBondContact O-CB 3.45Å; D56-D59 PolarHBondContact O-N 3.36Å; D56-D59 VanDerWaalsContact O-N 3.15Å; D56-D59 PolarHBondContact OD1-N 3.31Å; D59-C61 VanDerWaalsContact C-N 3.26Å; D59-C61 PolarHBondContact O-N 3.04Å; D59-C62 WeakPolarHBondContact O-CA 3.44Å; D59-C62 WeakPolarHBondContact O-CB 3.2Å; D59-C62 PolarHBondContact O-N 2.84Å; D59-H63 PolarHBondContact O-N 2.85Å
60W98.8Very high98.1Very high73 Ų7334.4 Ų34.428%0.27719%0.19SC..Hα-helixtrans-60.4-32.1169.7-83.4110.7000113.8W53 P54 D56 T58 C62 H63 A64 P140W53-W60 HydrophobicContact CD2-CZ2 4.4Å; W53-W60 AromaticContact CE2-CZ2 3.81Å; W53-W60 HydrophobicContact CH2-CH2 4.24Å; W53-W60 HydrophobicContact CH2-CZ2 4.06Å; W53-W60 HydrophobicContact CZ2-CH2 4.28Å; W53-W60 AromaticContact CZ2-CZ2 3.64Å; W53-W60 HydrophobicContact CZ2-CZ2 3.64Å; P54-W60 HydrophobicContact CB-CD2 3.88Å; P54-W60 HydrophobicContact CB-CG 3.9Å; P54-W60 HydrophobicContact CB-CZ2 4.43Å; P54-W60 HydrophobicContact CG-CD2 3.61Å; P54-W60 HydrophobicContact CG-CE3 3.81Å; P54-W60 HydrophobicContact CG-CG 4.16Å; P54-W60 HydrophobicContact CG-CH2 4.05Å; P54-W60 HydrophobicContact CG-CZ2 3.82Å; P54-W60 HydrophobicContact CG-CZ3 4.03Å; D56-W60 VanDerWaalsContact O-CD1 3.23Å; D56-W60 PolarHBondContact O-N 3.39Å; T58-W60 VanDerWaalsContact C-N 3.32Å; T58-W60 PolarHBondContact O-N 2.93Å; W60-C62 PolarHBondContact O-N 2.7Å; W60-H63 HydrophobicContact CE3-CB 4.28Å; W60-H63 AromaticContact CE3-ND1 3.99Å; W60-H63 AromaticContact CZ3-ND1 3.88Å; W60-A64 WeakPolarHBondContact O-CB 3.29Å; W60-A64 PolarHBondContact O-N 3.41Å; W60-P140 HydrophobicContact CH2-CB 3.57Å; W60-P140 HydrophobicContact CH2-CG 3.35Å; W60-P140 HydrophobicContact CZ2-CG 4.15Å; W60-P140 HydrophobicContact CZ3-CB 3.83Å; W60-P140 HydrophobicContact CZ3-CG 3.83Å
61C98.8Very high98.4Very high3 Ų338.3 Ų38.32%0.0219%0.193CC..Hα-helixtrans-63-34.9173.2-56.50000111.3E57 T58 D59 H65 C115 F116 N119E57-C61 PolarHBondContact O-N 3.5Å; E57-C61 PolarHBondContact O-SG 2.58Å; T58-C61 WeakPolarHBondContact O-CB 3.01Å; T58-C61 PolarHBondContact O-N 2.7Å; T58-C61 VanDerWaalsContact O-N 3.08Å; D59-C61 VanDerWaalsContact C-N 3.26Å; D59-C61 PolarHBondContact O-N 3.04Å; C61-H65 WeakPolarHBondContact O-CB 3.29Å; C61-H65 PolarHBondContact O-N 2.67Å; C61-C115 HydrophobicContact CB-CB 3.66Å; C61-C115 WeakPolarHBondContact CB-SG 3.17Å; C61-C115 WeakPolarHBondContact SG-CB 3.25Å; C61-C115 CovalentContact SG-SG 2.03Å; C61-C115 PolarHBondContact SG-SG 3.2Å; C61-F116 HydrophobicContact CB-CD1 3.62Å; C61-F116 HydrophobicContact CB-CE1 3.43Å; C61-F116 VanDerWaalsContact CB-CE1 3.43Å; C61-F116 HydrophobicContact CB-CZ 4.38Å; C61-N119 PolarHBondContact SG-ND2 2.93Å; C61-N119 VanDerWaalsContact SG-ND2 3.36Å
62C98.7Very high98.5Very high6 Ų636.5 Ų36.54%0.04118%0.18CC..Hα-helixtrans-76.3-43.2179.4-600000111.9C46 D59 W60 A64 H65 D66 F116C46-C62 WeakPolarHBondContact CA-SG 3.36Å; C46-C62 HydrophobicContact CB-CB 3.7Å; C46-C62 WeakPolarHBondContact CB-SG 3.48Å; C46-C62 WeakPolarHBondContact SG-CB 3.37Å; C46-C62 CovalentContact SG-SG 2.01Å; C46-C62 PolarHBondContact SG-SG 2.72Å; D59-C62 WeakPolarHBondContact O-CA 3.44Å; D59-C62 WeakPolarHBondContact O-CB 3.2Å; D59-C62 PolarHBondContact O-N 2.84Å; W60-C62 PolarHBondContact O-N 2.7Å; C62-A64 VanDerWaalsContact C-N 3.27Å; C62-A64 PolarHBondContact O-N 3.18Å; C62-H65 CarbonylContact O-C 3.6Å; C62-H65 WeakPolarHBondContact O-CA 3.36Å; C62-H65 WeakPolarHBondContact O-CB 3.42Å; C62-H65 PolarHBondContact O-N 3.47Å; C62-D66 PolarHBondContact O-N 2.83Å; C62-F116 WeakPolarHBondContact SG-CE1 3.22Å; C62-F116 VanDerWaalsContact SG-CZ 3.54Å
63H98.8Very high98.5Very high14 Ų1437.5 Ų37.57%0.06518%0.184CC..Hα-helixtrans-52.3-48.2169.6171.3-81.6000111.4Y45 P54 D59 W60 H65 D66 C67 P140 P141Y45-H63 HydrophobicContact CD1-CB 3.83Å; Y45-H63 HydrophobicContact CD2-CB 4.21Å; Y45-H63 HydrophobicContact CE1-CB 4.13Å; Y45-H63 AromaticContact CE1-CD2 3.48Å; Y45-H63 VanDerWaalsContact CE1-CD2 3.48Å; Y45-H63 WeakPolarHBondContact CE1-CD2 3.33Å; Y45-H63 HydrophobicContact CE2-CB 4.47Å; Y45-H63 HydrophobicContact CG-CB 3.87Å; Y45-H63 AromaticContact CZ-CD2 3.59Å; P54-H63 HydrophobicContact CG-CB 4.3Å; D59-H63 PolarHBondContact O-N 2.85Å; W60-H63 HydrophobicContact CE3-CB 4.28Å; W60-H63 AromaticContact CE3-ND1 3.99Å; W60-H63 AromaticContact CZ3-ND1 3.88Å; H63-H65 VanDerWaalsContact C-N 3.28Å; H63-H65 PolarHBondContact O-N 2.03Å; H63-D66 PolarHBondContact O-N 3.1Å; H63-C67 VanDerWaalsContact CE1-SG 3.58Å; H63-C67 PolarHBondContact O-N 3.27Å; H63-C67 PolarHBondContact O-SG 3.14Å; H63-P140 PolarHBondContact NE2-O 2.95Å; H63-P141 PolarHBondContact CE1-O 2.81Å; H63-P141 VanDerWaalsContact CE1-O 3.23Å
64A98.8Very high98.5Very high50 Ų5040.1 Ų40.141%0.41320%0.199SC..Hα-helixtrans-66-30.9178.100000113.1W60 C62 C68W60-A64 WeakPolarHBondContact O-CB 3.29Å; W60-A64 PolarHBondContact O-N 3.41Å; C62-A64 VanDerWaalsContact C-N 3.27Å; C62-A64 PolarHBondContact O-N 3.18Å; A64-C68 WeakPolarHBondContact O-CB 3.34Å; A64-C68 PolarHBondContact O-N 3.37Å
65H98.4Very high98.5Very high20 Ų2045.8 Ų45.89%0.09323%0.228CC..Hα-helixtrans-69.7-45.5175.7-178.2-110.5000111.4F24 C61 C62 H63 C67 C68 Y69 D109 A112F24-H65 AromaticContact CE1-CE1 3.62Å; F24-H65 AromaticContact CE1-NE2 3.85Å; C61-H65 WeakPolarHBondContact O-CB 3.29Å; C61-H65 PolarHBondContact O-N 2.67Å; C62-H65 CarbonylContact O-C 3.6Å; C62-H65 WeakPolarHBondContact O-CA 3.36Å; C62-H65 WeakPolarHBondContact O-CB 3.42Å; C62-H65 PolarHBondContact O-N 3.47Å; H63-H65 VanDerWaalsContact C-N 3.28Å; H63-H65 PolarHBondContact O-N 2.03Å; H65-C67 VanDerWaalsContact C-N 3.33Å; H65-C67 PolarHBondContact O-N 3.03Å; H65-C68 CarbonylContact O-C 3.27Å; H65-C68 WeakPolarHBondContact O-CA 3.01Å; H65-C68 WeakPolarHBondContact O-CB 3.33Å; H65-C68 PolarHBondContact O-N 2.87Å; H65-Y69 AromaticContact CD2-CE1 3.99Å; H65-Y69 AromaticContact CE1-CE1 3.53Å; H65-Y69 AromaticContact CE1-CE2 3.79Å; H65-Y69 AromaticContact CE1-CZ 3.31Å; H65-Y69 PolarHBondContact CE1-OH 3Å; H65-Y69 AromaticContact NE2-CD1 3.88Å; H65-Y69 AromaticContact NE2-CE1 3.17Å; H65-Y69 WeakPolarHBondContact NE2-CE1 3.48Å; H65-Y69 AromaticContact NE2-CZ 3.36Å; H65-Y69 PolarHBondContact NE2-OH 3.44Å; H65-Y69 PolarHBondContact O-N 3.41Å; H65-D109 IonicContact CD2-OD1 3.61Å; H65-D109 IonicContact CE1-OD1 2.76Å; H65-D109 IonicContact NE2-OD1 3.8Å; H65-D109 PolarHBondContact NE2-OD1 2.94Å; H65-A112 HydrophobicContact CB-CB 4.02Å
66D98.2Very high98.4Very high46 Ų4647.2 Ų47.225%0.24625%0.251CS..Hα-helixtrans-59.4-44.3173.4-70.3-30.8000111.3C62 H63 C68 Y69 G70C62-D66 PolarHBondContact O-N 2.83Å; H63-D66 PolarHBondContact O-N 3.1Å; D66-C68 PolarHBondContact O-N 3.46Å; D66-Y69 PolarHBondContact O-N 3.44Å; D66-G70 PolarHBondContact O-N 3.3Å
67C98.5Very high98.4Very high9 Ų946.5 Ų46.56%0.06125%0.247CC..Hα-helixtrans-60.3-34.6172.6-70.20000112.5H63 H65 R71 C142H63-C67 VanDerWaalsContact CE1-SG 3.58Å; H63-C67 PolarHBondContact O-N 3.27Å; H63-C67 PolarHBondContact O-SG 3.14Å; H65-C67 VanDerWaalsContact C-N 3.33Å; H65-C67 PolarHBondContact O-N 3.03Å; C67-R71 WeakPolarHBondContact O-CG 3.31Å; C67-R71 PolarHBondContact O-N 2.89Å; C67-C142 WeakPolarHBondContact CA-SG 3.43Å; C67-C142 HydrophobicContact CB-CB 3.68Å; C67-C142 WeakPolarHBondContact CB-SG 3.16Å; C67-C142 WeakPolarHBondContact SG-CA 3.34Å; C67-C142 WeakPolarHBondContact SG-CB 3.44Å; C67-C142 CovalentContact SG-SG 2.03Å; C67-C142 PolarHBondContact SG-SG 2.93Å
68C98.6Very high98.3Very high9 Ų947.3 Ų47.36%0.06125%0.251CS..Hα-helixtrans-66.6-48.9175.2-155.80000110.8A64 H65 D66 G70 R71 L72 C108 R111A64-C68 WeakPolarHBondContact O-CB 3.34Å; A64-C68 PolarHBondContact O-N 3.37Å; H65-C68 CarbonylContact O-C 3.27Å; H65-C68 WeakPolarHBondContact O-CA 3.01Å; H65-C68 WeakPolarHBondContact O-CB 3.33Å; H65-C68 PolarHBondContact O-N 2.87Å; D66-C68 PolarHBondContact O-N 3.46Å; C68-G70 PolarHBondContact O-N 3.47Å; C68-R71 VanDerWaalsContact CA-NH2 3.35Å; C68-R71 WeakPolarHBondContact O-CB 3.06Å; C68-R71 PolarHBondContact O-N 3.19Å; C68-L72 WeakPolarHBondContact O-CG 3.07Å; C68-L72 PolarHBondContact O-N 3.26Å; C68-L72 VanDerWaalsContact O-N 3.11Å; C68-C108 HydrophobicContact CB-CB 3.72Å; C68-C108 WeakPolarHBondContact CB-SG 3.17Å; C68-C108 VanDerWaalsContact SG-CA 3.54Å; C68-C108 WeakPolarHBondContact SG-CB 3.44Å; C68-C108 CovalentContact SG-SG 2.03Å; C68-C108 PolarHBondContact SG-SG 2.94Å; C68-R111 PolarHBondContact SG-NH1 3.23Å
69Y97.7Very high98.1Very high11 Ų1147.3 Ų47.34%0.04325%0.251CS..Hα-helixtrans-61.7-44.4177.1-85.725.5000112.2N20 H65 D66 R71 L72 E73 P79 K80 T105 C108 D109N20-Y69 PolarHBondContact ND2-OH 3.09Å; H65-Y69 AromaticContact CD2-CE1 3.99Å; H65-Y69 AromaticContact CE1-CE1 3.53Å; H65-Y69 AromaticContact CE1-CE2 3.79Å; H65-Y69 AromaticContact CE1-CZ 3.31Å; H65-Y69 PolarHBondContact CE1-OH 3Å; H65-Y69 AromaticContact NE2-CD1 3.88Å; H65-Y69 AromaticContact NE2-CE1 3.17Å; H65-Y69 WeakPolarHBondContact NE2-CE1 3.48Å; H65-Y69 AromaticContact NE2-CZ 3.36Å; H65-Y69 PolarHBondContact NE2-OH 3.44Å; H65-Y69 PolarHBondContact O-N 3.41Å; D66-Y69 PolarHBondContact O-N 3.44Å; Y69-R71 PolarHBondContact O-N 3.13Å; Y69-L72 CarbonylContact O-C 3.57Å; Y69-L72 WeakPolarHBondContact O-CA 3.21Å; Y69-L72 WeakPolarHBondContact O-CB 3.21Å; Y69-L72 PolarHBondContact O-N 2.68Å; Y69-E73 WeakPolarHBondContact O-CG 3.17Å; Y69-E73 PolarHBondContact O-N 3.14Å; Y69-P79 HydrophobicContact CD1-CB 3.78Å; Y69-P79 HydrophobicContact CD1-CG 4.18Å; Y69-P79 HydrophobicContact CD2-CB 3.84Å; Y69-P79 HydrophobicContact CD2-CG 3.77Å; Y69-P79 HydrophobicContact CE1-CB 3.94Å; Y69-P79 HydrophobicContact CE2-CB 4.02Å; Y69-P79 HydrophobicContact CE2-CG 4.4Å; Y69-P79 HydrophobicContact CG-CB 3.74Å; Y69-P79 HydrophobicContact CG-CG 3.66Å; Y69-K80 HydrophobicContact CD2-CG 3.99Å; Y69-K80 HydrophobicContact CE2-CG 3.99Å; Y69-T105 HydrophobicContact CE1-CG2 4.31Å; Y69-C108 HydrophobicContact CD1-CB 4.05Å; Y69-C108 HydrophobicContact CE1-CB 3.94Å; Y69-D109 VanDerWaalsContact CE1-OD1 3.31Å; Y69-D109 WeakPolarHBondContact CE1-OD1 3.42Å; Y69-D109 PolarHBondContact OH-OD1 3.41Å
70G97.4Very high97.8Very high25 Ų2552.5 Ų52.526%0.25827%0.274SS..Hα-helixtrans-60.2-32.4176.900000112.9D66 C68 K74D66-G70 PolarHBondContact O-N 3.3Å; C68-G70 PolarHBondContact O-N 3.47Å; G70-K74 WeakPolarHBondContact O-CG 3.23Å; G70-K74 PolarHBondContact O-N 2.99Å; G70-K74 VanDerWaalsContact O-N 3.17Å
71R98.6Very high97.5Very high118 Ų11854 Ų5445%0.44529%0.287SS..Hα-helixtrans-69.4-38.2170.7-74.2-176.1-64.7-95.8-1.6112.4C67 C68 Y69 K74 L75C67-R71 WeakPolarHBondContact O-CG 3.31Å; C67-R71 PolarHBondContact O-N 2.89Å; C68-R71 VanDerWaalsContact CA-NH2 3.35Å; C68-R71 WeakPolarHBondContact O-CB 3.06Å; C68-R71 PolarHBondContact O-N 3.19Å; Y69-R71 PolarHBondContact O-N 3.13Å; R71-K74 PolarHBondContact O-N 3.27Å; R71-L75 WeakPolarHBondContact O-CG 3.33Å; R71-L75 PolarHBondContact O-N 2.99Å
72L98.3Very high97.4Very high10 Ų1055.5 Ų55.55%0.05229%0.293CS..Hα-helixtrans-68.8-39.4176.8-60.5-169.8000112C68 Y69 K74 L75 G76 C77 P79 L104C68-L72 WeakPolarHBondContact O-CG 3.07Å; C68-L72 PolarHBondContact O-N 3.26Å; C68-L72 VanDerWaalsContact O-N 3.11Å; Y69-L72 CarbonylContact O-C 3.57Å; Y69-L72 WeakPolarHBondContact O-CA 3.21Å; Y69-L72 WeakPolarHBondContact O-CB 3.21Å; Y69-L72 PolarHBondContact O-N 2.68Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 2.52Å; L72-L75 HydrophobicContact CD2-CD1 4.27Å; L72-L75 CarbonylContact O-C 3.5Å; L72-L75 WeakPolarHBondContact O-CA 3.43Å; L72-L75 WeakPolarHBondContact O-CB 3.47Å; L72-L75 PolarHBondContact O-N 2.93Å; L72-G76 PolarHBondContact O-N 2.97Å; L72-C77 HydrophobicContact CB-CB 4.07Å; L72-C77 WeakPolarHBondContact O-CB 3.49Å; L72-C77 PolarHBondContact O-N 3.13Å; L72-P79 HydrophobicContact CB-CB 4.36Å; L72-P79 HydrophobicContact CB-CG 4.18Å; L72-P79 HydrophobicContact CD1-CB 4.09Å; L72-L104 HydrophobicContact CD1-CB 4.03Å; L72-L104 HydrophobicContact CD2-CB 3.67Å; L72-L104 HydrophobicContact CD2-CD1 3.89Å; L72-L104 HydrophobicContact CD2-CG 4.31Å
73E97.9Very high97.2Very high92 Ų9260 Ų6043%0.4331%0.312SS..Hα-helixtrans-59.4-41.7173.4-70.6171.5174.400110.9Y69 L75 G76 C77 P79Y69-E73 WeakPolarHBondContact O-CG 3.17Å; Y69-E73 PolarHBondContact O-N 3.14Å; E73-L75 PolarHBondContact O-N 3.16Å; E73-G76 PolarHBondContact O-N 3.33Å; E73-C77 WeakPolarHBondContact CA-O 3.27Å; E73-P79 HydrophobicContact CG-CG 3.93Å
74K98.4Very high97.1Very high187 Ų18759.5 Ų59.581%0.81331%0.31SS*.Hα-helixtrans-63.6-22.7172.8-72.8174.7-176.2-179.50114.1G70 R71 L72 G76G70-K74 WeakPolarHBondContact O-CG 3.23Å; G70-K74 PolarHBondContact O-N 2.99Å; G70-K74 VanDerWaalsContact O-N 3.17Å; R71-K74 PolarHBondContact O-N 3.27Å; L72-K74 VanDerWaalsContact C-N 3.3Å; L72-K74 PolarHBondContact O-N 2.52Å; K74-G76 VanDerWaalsContact C-N 3.28Å
75L98.1Very high97Very high124 Ų12462.9 Ų62.965%0.64932%0.32SS*.THydrogen-bonded Turntrans-86.32173-66.4172000112.7R71 L72 E73 L104R71-L75 WeakPolarHBondContact O-CG 3.33Å; R71-L75 PolarHBondContact O-N 2.99Å; L72-L75 HydrophobicContact CD2-CD1 4.27Å; L72-L75 CarbonylContact O-C 3.5Å; L72-L75 WeakPolarHBondContact O-CA 3.43Å; L72-L75 WeakPolarHBondContact O-CB 3.47Å; L72-L75 PolarHBondContact O-N 2.93Å; E73-L75 PolarHBondContact O-N 3.16Å; L75-L104 HydrophobicContact CD1-CD1 4.32Å
76G98.3Very high96.9Very high66 Ų6664.1 Ų64.168%0.6833%0.325SS*.THydrogen-bonded Turntrans81.714.3-17800000114.3L72 E73 K74L72-G76 PolarHBondContact O-N 2.97Å; E73-G76 PolarHBondContact O-N 3.33Å; K74-G76 VanDerWaalsContact C-N 3.28Å
77C97.9Very high96.8Very high8 Ų864.9 Ų64.95%0.05433%0.334CS..  trans-85.7158.3172.5-590000111.3L72 E73 P79 C101L72-C77 HydrophobicContact CB-CB 4.07Å; L72-C77 WeakPolarHBondContact O-CB 3.49Å; L72-C77 PolarHBondContact O-N 3.13Å; E73-C77 WeakPolarHBondContact CA-O 3.27Å; C77-P79 VanDerWaalsContact C-CD 3.49Å; C77-P79 VanDerWaalsContact O-CD 3.22Å; C77-P79 WeakPolarHBondContact O-CD 3.26Å; C77-C101 WeakPolarHBondContact CA-SG 3.17Å; C77-C101 HydrophobicContact CB-CB 3.57Å; C77-C101 WeakPolarHBondContact CB-SG 2.86Å; C77-C101 WeakPolarHBondContact SG-CA 3.33Å; C77-C101 WeakPolarHBondContact SG-CB 3.43Å; C77-C101 CovalentContact SG-SG 2.04Å; C77-C101 PolarHBondContact SG-SG 3.05Å
78E96.6Very high96.6Very high123 Ų12367.4 Ų67.458%0.57535%0.349SS*.  trans-114.968.8175.4-62.4-174.2114.100111K80 L81 E82E78-K80 PolarHBondContact O-N 2.82Å; E78-L81 HydrophobicContact CB-CB 4.19Å; E78-L81 HydrophobicContact CB-CD1 4.31Å; E78-L81 HydrophobicContact CB-CG 4.44Å; E78-L81 WeakPolarHBondContact O-CA 3.46Å; E78-L81 PolarHBondContact O-N 3.3Å; E78-E82 WeakPolarHBondContact O-CG 3.35Å; E78-E82 PolarHBondContact O-N 2.92Å
79P95.4Very high96.2Very high0 Ų070.2 Ų70.20%037%0.369CS..THydrogen-bonded Turntrans-61.1-21.9-164.226.1-37.1000115N20 Y69 L72 E73 C77 L81 T105N20-P79 VanDerWaalsContact CB-O 3.28Å; N20-P79 WeakPolarHBondContact CB-O 3.36Å; N20-P79 PolarHBondContact ND2-O 3.38Å; Y69-P79 HydrophobicContact CD1-CB 3.78Å; Y69-P79 HydrophobicContact CD1-CG 4.18Å; Y69-P79 HydrophobicContact CD2-CB 3.84Å; Y69-P79 HydrophobicContact CD2-CG 3.77Å; Y69-P79 HydrophobicContact CE1-CB 3.94Å; Y69-P79 HydrophobicContact CE2-CB 4.02Å; Y69-P79 HydrophobicContact CE2-CG 4.4Å; Y69-P79 HydrophobicContact CG-CB 3.74Å; Y69-P79 HydrophobicContact CG-CG 3.66Å; L72-P79 HydrophobicContact CB-CB 4.36Å; L72-P79 HydrophobicContact CB-CG 4.18Å; L72-P79 HydrophobicContact CD1-CB 4.09Å; E73-P79 HydrophobicContact CG-CG 3.93Å; C77-P79 VanDerWaalsContact C-CD 3.49Å; C77-P79 VanDerWaalsContact O-CD 3.22Å; C77-P79 WeakPolarHBondContact O-CD 3.26Å; P79-L81 VanDerWaalsContact C-N 3.31Å; P79-T105 HydrophobicContact CB-CG2 3.95Å; P79-T105 WeakPolarHBondContact O-CG2 3.46Å
80K91.9Very high95.5Very high108 Ų10880.4 Ų80.447%0.4741%0.414SS..THydrogen-bonded Turntrans-73.5-23.9173.8-63178.2-175.1172.40112.7Y69 E78Y69-K80 HydrophobicContact CD2-CG 3.99Å; Y69-K80 HydrophobicContact CE2-CG 3.99Å; E78-K80 PolarHBondContact O-N 2.82Å
81L93.3Very high94.9Very high106 Ų10691 Ų9156%0.55545%0.446SS*.THydrogen-bonded Turntrans-105.6-25.8-177.2-56.3-177.5000112.8E78 P79 K83E78-L81 HydrophobicContact CB-CB 4.19Å; E78-L81 HydrophobicContact CB-CD1 4.31Å; E78-L81 HydrophobicContact CB-CG 4.44Å; E78-L81 WeakPolarHBondContact O-CA 3.46Å; E78-L81 PolarHBondContact O-N 3.3Å; P79-L81 VanDerWaalsContact C-N 3.31Å; L81-K83 PolarHBondContact O-N 3.05Å
82E95.1Very high94.4Very high33 Ų3386.5 Ų86.515%0.15444%0.436CS..  trans-53.5137.2-179.6-71.7-61.2176.200112.2N20 E78 C101 Q102 T105N20-E82 WeakPolarHBondContact CA-O 3.31Å; N20-E82 WeakPolarHBondContact CB-O 3.25Å; N20-E82 PolarHBondContact N-O 3Å; E78-E82 WeakPolarHBondContact O-CG 3.35Å; E78-E82 PolarHBondContact O-N 2.92Å; E82-C101 HydrophobicContact CG-CB 4.17Å; E82-C101 WeakPolarHBondContact OE1-CB 3.34Å; E82-Q102 HydrophobicContact CB-CG 4.49Å; E82-Q102 WeakPolarHBondContact OE2-CG 3.13Å; E82-T105 HydrophobicContact CB-CG2 4.15Å
83K96.1Very high94.3Very high101 Ų10186.5 Ų86.544%0.43944%0.436SS..  trans-113.2119173.2-66.5177.8-175.1169.30109.1T18 L81 Q102T18-K83 WeakPolarHBondContact O-CE 3.42Å; T18-K83 PolarHBondContact O-NZ 3.44Å; L81-K83 PolarHBondContact O-N 3.05Å; K83-Q102 WeakPolarHBondContact O-CG 3.18Å; K83-Q102 PolarHBondContact O-NE2 3.31Å; K83-Q102 VanDerWaalsContact O-NE2 3.14Å
84Y96.1Very high94.3Very high3 Ų388.6 Ų88.61%0.01244%0.444CS..  trans-114.9177.3179.458.6-108000112.2N20 Q23 F24 M27 F86 Q102 T105 C106 D109N20-Y84 VanDerWaalsContact CG-CE1 3.47Å; N20-Y84 WeakPolarHBondContact OD1-CE1 3.46Å; N20-Y84 PolarHBondContact OD1-OH 3.08Å; Q23-Y84 HydrophobicContact CB-CD2 4.44Å; Q23-Y84 HydrophobicContact CB-CE2 3.8Å; Q23-Y84 PolarHBondContact NE2-O 3.33Å; Q23-Y84 PolarHBondContact OE1-O 3.46Å; F24-Y84 PolarHBondContact N-OH 3.45Å; M27-Y84 HydrophobicContact CE-CE2 3.86Å; Y84-F86 HydrophobicContact CD2-CB 4.44Å; Y84-F86 HydrophobicContact CD2-CD1 4.38Å; Y84-F86 HydrophobicContact CE2-CB 4.35Å; Y84-F86 AromaticContact CE2-CD1 3.87Å; Y84-F86 HydrophobicContact CE2-CD1 3.87Å; Y84-F86 HydrophobicContact CE2-CG 4.43Å; Y84-Q102 WeakPolarHBondContact CB-O 3.27Å; Y84-T105 HydrophobicContact CD1-CG2 4.05Å; Y84-T105 HydrophobicContact CE1-CG2 3.98Å; Y84-C106 HydrophobicContact CD1-CB 3.79Å; Y84-C106 HydrophobicContact CD2-CB 3.54Å; Y84-C106 VanDerWaalsContact CD2-SG 3.53Å; Y84-C106 HydrophobicContact CE1-CB 4.07Å; Y84-C106 HydrophobicContact CE2-CB 3.89Å; Y84-C106 HydrophobicContact CG-CB 3.51Å; Y84-D109 WeakPolarHBondContact CE1-OD2 3.44Å; Y84-D109 VanDerWaalsContact CZ-OD2 3.26Å; Y84-D109 WeakPolarHBondContact OH-CB 3.34Å; Y84-D109 PolarHBondContact OH-OD2 3.33Å
85L96.2Very high94.2Very high121 Ų12180.2 Ų80.263%0.63441%0.409SS*.EExtended strand (participates in β ladder)trans-114.9143.3171.9-64.1173.9000108.5A96L85-A96 HydrophobicContact CB-CB 4.05Å; L85-A96 PolarHBondContact N-O 3.02Å; L85-A96 CarbonylContact O-C 3.58Å; L85-A96 PolarHBondContact O-N 3.47Å
86F97.3Very high94.1Very high46 Ų4675.8 Ų75.820%0.20239%0.39CS..EExtended strand (participates in β ladder)trans-144.6156.7170.979.4-80.3000111.3Q23 V26 M27 K30 Y84 V88 I93 F94Q23-F86 HydrophobicContact CB-CE1 4.43Å; Q23-F86 WeakPolarHBondContact O-CE1 2.91Å; V26-F86 HydrophobicContact CB-CE1 4.5Å; V26-F86 HydrophobicContact CB-CZ 4.15Å; V26-F86 HydrophobicContact CG1-CZ 3.89Å; M27-F86 HydrophobicContact CB-CE1 4.39Å; M27-F86 HydrophobicContact CB-CE2 3.89Å; M27-F86 HydrophobicContact CB-CZ 3.78Å; M27-F86 HydrophobicContact CE-CB 4Å; M27-F86 HydrophobicContact CE-CD1 4.04Å; M27-F86 HydrophobicContact CE-CD2 3.82Å; M27-F86 HydrophobicContact CE-CE1 4.45Å; M27-F86 HydrophobicContact CE-CE2 4.24Å; M27-F86 HydrophobicContact CE-CG 3.69Å; M27-F86 HydrophobicContact CG-CD2 4.31Å; M27-F86 HydrophobicContact CG-CE2 3.94Å; M27-F86 HydrophobicContact CG-CZ 4.35Å; K30-F86 HydrophobicContact CD-CE2 4.19Å; Y84-F86 HydrophobicContact CD2-CB 4.44Å; Y84-F86 HydrophobicContact CD2-CD1 4.38Å; Y84-F86 HydrophobicContact CE2-CB 4.35Å; Y84-F86 AromaticContact CE2-CD1 3.87Å; Y84-F86 HydrophobicContact CE2-CD1 3.87Å; Y84-F86 HydrophobicContact CE2-CG 4.43Å; F86-V88 HydrophobicContact CD2-CG2 3.97Å; F86-V88 HydrophobicContact CE2-CG2 3.75Å; F86-I93 HydrophobicContact CB-CG2 4.39Å; F86-I93 HydrophobicContact CD2-CG2 4.2Å; F86-F94 CarbonylContact C-O 3.54Å; F86-F94 WeakPolarHBondContact CA-O 3.37Å; F86-F94 WeakPolarHBondContact CB-O 3.49Å
87S95.6Very high94Very high62 Ų6273.8 Ų73.843%0.43437%0.369SS..EExtended strand (participates in β ladder)trans-133.3153.1169.466.10000110.3I93 F94S87-I93 WeakPolarHBondContact O-CA 3.44Å; S87-F94 PolarHBondContact N-O 3.15Å; S87-F94 PolarHBondContact O-N 2.01Å
88V93.8Very high94Very high62 Ų6284.9 Ų84.938%0.37641%0.41SS..EExtended strand (participates in β ladder)trans-117.5128.2177.9-176.10000108.1K30 M31 F86 I93K30-V88 HydrophobicContact CB-CG2 4.25Å; K30-V88 HydrophobicContact CD-CB 4.32Å; K30-V88 HydrophobicContact CD-CG2 3.73Å; M31-V88 HydrophobicContact SD-CG1 4.1Å; M31-V88 HydrophobicContact SD-CG2 4.47Å; F86-V88 HydrophobicContact CD2-CG2 3.97Å; F86-V88 HydrophobicContact CE2-CG2 3.75Å; V88-I93 HydrophobicContact CG2-CG1 4.27Å
89S90.3Very high94.1Very high69 Ų6981.7 Ų81.748%0.48340%0.399SS..EExtended strand (participates in β ladder)trans-134.7177.5176.574.20000110.5R91 G92S89-R91 PolarHBondContact O-N 2.98Å; S89-R91 VanDerWaalsContact O-N 3.12Å; S89-R91 PolarHBondContact OG-N 2.93Å; S89-R91 VanDerWaalsContact OG-N 3.16Å; S89-G92 PolarHBondContact N-O 3.01Å; S89-G92 PolarHBondContact O-N 2.87Å; S89-G92 PolarHBondContact OG-O 3.4Å
90K83.8Confident94.2Very high224 Ų22486.6 Ų86.697%0.97443%0.429SS*.THydrogen-bonded Turntrans-57.3-24.6171.5-64.4-170.5-176.3-176.50113.1G92K90-G92 VanDerWaalsContact C-N 3.32Å
91R83.8Confident94.5Very high248 Ų24882.7 Ų82.794%0.93642%0.416SS*.THydrogen-bonded Turntrans-83.2-6.2178.1-61.7-177.2-179-176.70.5113.3S89S89-R91 PolarHBondContact O-N 2.98Å; S89-R91 VanDerWaalsContact O-N 3.12Å; S89-R91 PolarHBondContact OG-N 2.93Å; S89-R91 VanDerWaalsContact OG-N 3.16Å
92G89Confident94.7Very high23 Ų2379.5 Ų79.524%0.23740%0.398CS..EExtended strand (participates in β ladder)trans115.7-158.8-178.700000113.5S89 K90S89-G92 PolarHBondContact N-O 3.01Å; S89-G92 PolarHBondContact O-N 2.87Å; S89-G92 PolarHBondContact OG-O 3.4Å; K90-G92 VanDerWaalsContact C-N 3.32Å
93I96.2Very high94.9Very high11 Ų1184.9 Ų84.96%0.05642%0.417CS..EExtended strand (participates in β ladder)trans-92.7128.2-179.7-58.2157.4000109.7M27 M31 F86 S87 V88 K110 L114M27-I93 HydrophobicContact CE-CG2 4.1Å; M27-I93 HydrophobicContact CG-CD1 4.04Å; M27-I93 HydrophobicContact SD-CD1 3.89Å; M27-I93 HydrophobicContact SD-CG2 4.21Å; M31-I93 HydrophobicContact CE-CD1 4.19Å; M31-I93 HydrophobicContact CE-CG1 4.37Å; M31-I93 HydrophobicContact CG-CD1 3.75Å; M31-I93 HydrophobicContact CG-CG1 4.38Å; M31-I93 HydrophobicContact SD-CD1 3.65Å; M31-I93 HydrophobicContact SD-CG1 3.65Å; F86-I93 HydrophobicContact CB-CG2 4.39Å; F86-I93 HydrophobicContact CD2-CG2 4.2Å; S87-I93 WeakPolarHBondContact O-CA 3.44Å; V88-I93 HydrophobicContact CG2-CG1 4.27Å; I93-K110 HydrophobicContact CB-CD 3.84Å; I93-K110 HydrophobicContact CB-CG 3.94Å; I93-K110 HydrophobicContact CD1-CB 4.26Å; I93-K110 HydrophobicContact CD1-CG 3.86Å; I93-K110 HydrophobicContact CG2-CB 4.25Å; I93-K110 HydrophobicContact CG2-CD 3.93Å; I93-K110 HydrophobicContact CG2-CG 4.12Å; I93-K110 VanDerWaalsContact O-CE 3.26Å; I93-K110 WeakPolarHBondContact O-CE 3.33Å; I93-K110 PolarHBondContact O-NZ 2.98Å; I93-K110 VanDerWaalsContact O-NZ 3.09Å; I93-L114 HydrophobicContact CD1-CD1 4.47Å; I93-L114 HydrophobicContact CD1-CD2 4.24Å; I93-L114 HydrophobicContact CD1-CG 4.02Å
94F96.8Very high95Very high135 Ų13583.2 Ų83.259%0.59241%0.412SS*.EExtended strand (participates in β ladder)trans-106127172.1-177.3-98000110.2F86 S87 A96F86-F94 CarbonylContact C-O 3.54Å; F86-F94 WeakPolarHBondContact CA-O 3.37Å; F86-F94 WeakPolarHBondContact CB-O 3.49Å; S87-F94 PolarHBondContact N-O 3.15Å; S87-F94 PolarHBondContact O-N 2.01Å; F94-A96 HydrophobicContact CE1-CB 4.14Å
95C97.6Very high95.1Very high11 Ų1183 Ų837%0.07441%0.411CS..EExtended strand (participates in β ladder)trans-101.9135.6-179.6-79.60000111.5C106 E107C95-C106 WeakPolarHBondContact CA-SG 3.48Å; C95-C106 HydrophobicContact CB-CB 3.61Å; C95-C106 WeakPolarHBondContact CB-SG 3Å; C95-C106 WeakPolarHBondContact SG-CB 3.43Å; C95-C106 PolarHBondContact SG-O 3.02Å; C95-C106 VanDerWaalsContact SG-O 3.32Å; C95-C106 CovalentContact SG-SG 2.04Å; C95-C106 PolarHBondContact SG-SG 3.26Å; C95-E107 HydrophobicContact CB-CG 4.33Å; C95-E107 WeakPolarHBondContact CB-OE1 3.49Å
96A95.6Very high95.2Very high31 Ų3177.3 Ų77.326%0.25638%0.381SS..EExtended strand (participates in β ladder)trans-140158.9177.500000110.8L85 F94L85-A96 HydrophobicContact CB-CB 4.05Å; L85-A96 PolarHBondContact N-O 3.02Å; L85-A96 CarbonylContact O-C 3.58Å; L85-A96 PolarHBondContact O-N 3.47Å; F94-A96 HydrophobicContact CE1-CB 4.14Å
97G96.5Very high95.3Very high24 Ų2478.3 Ų78.325%0.24739%0.387CS..  trans177.8154.7-178.800000109.9
98R97.8Very high95.4Very high241 Ų24175.6 Ų75.691%0.90937%0.368SS*.SBendtrans-72.4-38.6177.4-175.6-179.1179.5-1410.1111
99T97.9Very high95.7Very high56 Ų5672.7 Ų72.734%0.34435%0.35SS..SBendtrans-105160.5-178.274.70000111.6C101 Q102 R103T99-C101 VanDerWaalsContact C-N 3.32Å; T99-Q102 VanDerWaalsContact N-OE1 3.09Å; T99-Q102 PolarHBondContact O-N 3.36Å; T99-Q102 VanDerWaalsContact OG1-CG 3.23Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.28Å; T99-Q102 PolarHBondContact OG1-N 2.99Å; T99-Q102 VanDerWaalsContact OG1-N 3.13Å; T99-R103 WeakPolarHBondContact O-CG 3.35Å; T99-R103 PolarHBondContact O-N 3.31Å
100T98.4Very high96.1Very high103 Ų10371.5 Ų71.563%0.63234%0.336SS*.Hα-helixtrans-61-42172-55.10000111.2Q102 R103 L104T100-Q102 PolarHBondContact O-N 3.03Å; T100-R103 PolarHBondContact O-N 2.99Å; T100-L104 HydrophobicContact CG2-CD1 3.78Å; T100-L104 HydrophobicContact CG2-CG 4.06Å; T100-L104 WeakPolarHBondContact O-CB 2.89Å; T100-L104 WeakPolarHBondContact O-CG 3Å; T100-L104 PolarHBondContact O-N 3.32Å
101C98.3Very high96.8Very high27 Ų2767.7 Ų67.718%0.18232%0.316CS..Hα-helixtrans-60.3-42178.6-69.30000112.7C77 E82 T99 R103 L104 T105C77-C101 WeakPolarHBondContact CA-SG 3.17Å; C77-C101 HydrophobicContact CB-CB 3.57Å; C77-C101 WeakPolarHBondContact CB-SG 2.86Å; C77-C101 WeakPolarHBondContact SG-CA 3.33Å; C77-C101 WeakPolarHBondContact SG-CB 3.43Å; C77-C101 CovalentContact SG-SG 2.04Å; C77-C101 PolarHBondContact SG-SG 3.05Å; E82-C101 HydrophobicContact CG-CB 4.17Å; E82-C101 WeakPolarHBondContact OE1-CB 3.34Å; T99-C101 VanDerWaalsContact C-N 3.32Å; C101-R103 PolarHBondContact O-N 3.35Å; C101-L104 PolarHBondContact O-N 3.34Å; C101-T105 WeakPolarHBondContact O-CB 3.45Å; C101-T105 PolarHBondContact O-N 2.71Å; C101-T105 PolarHBondContact O-OG1 2.9Å
102Q97.8Very high97.5Very high38 Ų3856.1 Ų56.118%0.17827%0.273CS..Hα-helixtrans-60.1-46.7174.8-70.4170.3-14.500111.8E82 K83 Y84 T99 T100 T105 C106E82-Q102 HydrophobicContact CB-CG 4.49Å; E82-Q102 WeakPolarHBondContact OE2-CG 3.13Å; K83-Q102 WeakPolarHBondContact O-CG 3.18Å; K83-Q102 PolarHBondContact O-NE2 3.31Å; K83-Q102 VanDerWaalsContact O-NE2 3.14Å; Y84-Q102 WeakPolarHBondContact CB-O 3.27Å; T99-Q102 VanDerWaalsContact N-OE1 3.09Å; T99-Q102 PolarHBondContact O-N 3.36Å; T99-Q102 VanDerWaalsContact OG1-CG 3.23Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.28Å; T99-Q102 PolarHBondContact OG1-N 2.99Å; T99-Q102 VanDerWaalsContact OG1-N 3.13Å; T100-Q102 PolarHBondContact O-N 3.03Å; Q102-T105 PolarHBondContact O-N 2.99Å; Q102-C106 PolarHBondContact O-N 3.2Å
103R98.3Very high97.9Very high147 Ų14755 Ų5556%0.55526%0.261SS*.Hα-helixtrans-66.7-42.9-179.1-66.8173.467.81790.8112T99 T100 C101 C106 E107T99-R103 WeakPolarHBondContact O-CG 3.35Å; T99-R103 PolarHBondContact O-N 3.31Å; T100-R103 PolarHBondContact O-N 2.99Å; C101-R103 PolarHBondContact O-N 3.35Å; R103-C106 PolarHBondContact O-N 2.84Å; R103-E107 PolarHBondContact O-N 3.5Å; R103-E107 VanDerWaalsContact O-N 3.07Å
104L98.5Very high98Very high65 Ų6556.9 Ų56.934%0.3427%0.271SS..Hα-helixtrans-64.8-41.2177.3-72.6177.8000111.8L72 L75 T100 C101 E107 C108L72-L104 HydrophobicContact CD1-CB 4.03Å; L72-L104 HydrophobicContact CD2-CB 3.67Å; L72-L104 HydrophobicContact CD2-CD1 3.89Å; L72-L104 HydrophobicContact CD2-CG 4.31Å; L75-L104 HydrophobicContact CD1-CD1 4.32Å; T100-L104 HydrophobicContact CG2-CD1 3.78Å; T100-L104 HydrophobicContact CG2-CG 4.06Å; T100-L104 WeakPolarHBondContact O-CB 2.89Å; T100-L104 WeakPolarHBondContact O-CG 3Å; T100-L104 PolarHBondContact O-N 3.32Å; C101-L104 PolarHBondContact O-N 3.34Å; L104-E107 PolarHBondContact O-N 3.11Å; L104-E107 VanDerWaalsContact O-N 3.17Å; L104-C108 PolarHBondContact O-N 3.2Å
105T98.5Very high98.1Very high0 Ų051.3 Ų51.30%025%0.249CC..Hα-helixtrans-60.2-47.6175.3-600000110.6N20 Y69 P79 E82 Y84 C101 Q102 E107 C108 D109N20-T105 HydrophobicContact CB-CG2 4.47Å; N20-T105 WeakPolarHBondContact ND2-CG2 3.3Å; Y69-T105 HydrophobicContact CE1-CG2 4.31Å; P79-T105 HydrophobicContact CB-CG2 3.95Å; P79-T105 WeakPolarHBondContact O-CG2 3.46Å; E82-T105 HydrophobicContact CB-CG2 4.15Å; Y84-T105 HydrophobicContact CD1-CG2 4.05Å; Y84-T105 HydrophobicContact CE1-CG2 3.98Å; C101-T105 WeakPolarHBondContact O-CB 3.45Å; C101-T105 PolarHBondContact O-N 2.71Å; C101-T105 PolarHBondContact O-OG1 2.9Å; Q102-T105 PolarHBondContact O-N 2.99Å; T105-E107 VanDerWaalsContact C-N 3.27Å; T105-E107 PolarHBondContact O-N 3.02Å; T105-C108 WeakPolarHBondContact O-CB 3.47Å; T105-C108 PolarHBondContact O-N 3.47Å; T105-C108 VanDerWaalsContact O-N 3.14Å; T105-D109 PolarHBondContact O-N 3.31Å; T105-D109 VanDerWaalsContact O-N 3.1Å
106C98.4Very high98.2Very high0 Ų051 Ų510%025%0.246CC..Hα-helixtrans-57.2-38.5174.4-174.50000112.9Y84 C95 Q102 R103 D109 K110Y84-C106 HydrophobicContact CD1-CB 3.79Å; Y84-C106 HydrophobicContact CD2-CB 3.54Å; Y84-C106 VanDerWaalsContact CD2-SG 3.53Å; Y84-C106 HydrophobicContact CE1-CB 4.07Å; Y84-C106 HydrophobicContact CE2-CB 3.89Å; Y84-C106 HydrophobicContact CG-CB 3.51Å; C95-C106 WeakPolarHBondContact CA-SG 3.48Å; C95-C106 HydrophobicContact CB-CB 3.61Å; C95-C106 WeakPolarHBondContact CB-SG 3Å; C95-C106 WeakPolarHBondContact SG-CB 3.43Å; C95-C106 PolarHBondContact SG-O 3.02Å; C95-C106 VanDerWaalsContact SG-O 3.32Å; C95-C106 CovalentContact SG-SG 2.04Å; C95-C106 PolarHBondContact SG-SG 3.26Å; Q102-C106 PolarHBondContact O-N 3.2Å; R103-C106 PolarHBondContact O-N 2.84Å; C106-D109 PolarHBondContact O-N 2.88Å; C106-K110 WeakPolarHBondContact O-CB 3.39Å; C106-K110 PolarHBondContact O-N 3.22Å
107E98.6Very high98.3Very high68 Ų6855.2 Ų55.232%0.31826%0.256SS..Hα-helixtrans-71.4-31.9178.9-73.6-65.5153.300113C95 R103 L104 T105 K110 R111C95-E107 HydrophobicContact CB-CG 4.33Å; C95-E107 WeakPolarHBondContact CB-OE1 3.49Å; R103-E107 PolarHBondContact O-N 3.5Å; R103-E107 VanDerWaalsContact O-N 3.07Å; L104-E107 PolarHBondContact O-N 3.11Å; L104-E107 VanDerWaalsContact O-N 3.17Å; T105-E107 VanDerWaalsContact C-N 3.27Å; T105-E107 PolarHBondContact O-N 3.02Å; E107-K110 IonicContact OE1-NZ 3Å; E107-K110 PolarHBondContact OE1-NZ 3.01Å; E107-K110 WeakPolarHBondContact OE2-CD 3.42Å; E107-K110 IonicContact OE2-NZ 3.27Å; E107-K110 PolarHBondContact OE2-NZ 2.04Å; E107-R111 WeakPolarHBondContact O-CB 3.02Å; E107-R111 PolarHBondContact O-N 3Å; E107-R111 VanDerWaalsContact O-N 3.11Å
108C98.6Very high98.4Very high5 Ų562.8 Ų62.83%0.03428%0.277CS..Hα-helixtrans-60.9-47.9168.7-700000110.7C68 Y69 L104 T105 R111 A112C68-C108 HydrophobicContact CB-CB 3.72Å; C68-C108 WeakPolarHBondContact CB-SG 3.17Å; C68-C108 VanDerWaalsContact SG-CA 3.54Å; C68-C108 WeakPolarHBondContact SG-CB 3.44Å; C68-C108 CovalentContact SG-SG 2.03Å; C68-C108 PolarHBondContact SG-SG 2.94Å; Y69-C108 HydrophobicContact CD1-CB 4.05Å; Y69-C108 HydrophobicContact CE1-CB 3.94Å; L104-C108 PolarHBondContact O-N 3.2Å; T105-C108 WeakPolarHBondContact O-CB 3.47Å; T105-C108 PolarHBondContact O-N 3.47Å; T105-C108 VanDerWaalsContact O-N 3.14Å; C108-R111 WeakPolarHBondContact O-CB 3.46Å; C108-R111 PolarHBondContact O-N 3.11Å; C108-A112 PolarHBondContact O-N 2.84Å
109D98.5Very high98.4Very high0 Ų052.2 Ų52.20%024%0.238CC..Hα-helixtrans-68.6-41.9-176.5-67.52.3000112.4N20 F24 M27 H65 Y69 Y84 T105 C106 R111 A112 A113N20-D109 PolarHBondContact ND2-OD2 3.26Å; N20-D109 PolarHBondContact OD1-OD2 3.43Å; F24-D109 HydrophobicContact CB-CB 4.43Å; F24-D109 HydrophobicContact CD2-CB 3.55Å; F24-D109 HydrophobicContact CE2-CB 3.98Å; F24-D109 WeakPolarHBondContact CE2-O 3.42Å; F24-D109 HydrophobicContact CG-CB 4.09Å; M27-D109 HydrophobicContact CE-CB 4.37Å; M27-D109 HydrophobicContact SD-CB 4.29Å; H65-D109 IonicContact CD2-OD1 3.61Å; H65-D109 IonicContact CE1-OD1 2.76Å; H65-D109 IonicContact NE2-OD1 3.8Å; H65-D109 PolarHBondContact NE2-OD1 2.94Å; Y69-D109 VanDerWaalsContact CE1-OD1 3.31Å; Y69-D109 WeakPolarHBondContact CE1-OD1 3.42Å; Y69-D109 PolarHBondContact OH-OD1 3.41Å; Y84-D109 WeakPolarHBondContact CE1-OD2 3.44Å; Y84-D109 VanDerWaalsContact CZ-OD2 3.26Å; Y84-D109 WeakPolarHBondContact OH-CB 3.34Å; Y84-D109 PolarHBondContact OH-OD2 3.33Å; T105-D109 PolarHBondContact O-N 3.31Å; T105-D109 VanDerWaalsContact O-N 3.1Å; C106-D109 PolarHBondContact O-N 2.88Å; D109-R111 VanDerWaalsContact C-N 3.29Å; D109-R111 PolarHBondContact O-N 3.2Å; D109-A112 PolarHBondContact O-N 3.43Å; D109-A113 WeakPolarHBondContact O-CB 3.02Å; D109-A113 PolarHBondContact O-N 2.96Å
110K98.5Very high98.5Very high44 Ų4452.6 Ų52.619%0.19124%0.238CC..Hα-helixtrans-56.2-44.5171.8166.7174.6164.1-168.70111.5M27 I93 C106 E107 L114M27-K110 WeakPolarHBondContact SD-CA 3.21Å; M27-K110 HydrophobicContact SD-CB 4.06Å; M27-K110 PolarHBondContact SD-N 3.05Å; I93-K110 HydrophobicContact CB-CD 3.84Å; I93-K110 HydrophobicContact CB-CG 3.94Å; I93-K110 HydrophobicContact CD1-CB 4.26Å; I93-K110 HydrophobicContact CD1-CG 3.86Å; I93-K110 HydrophobicContact CG2-CB 4.25Å; I93-K110 HydrophobicContact CG2-CD 3.93Å; I93-K110 HydrophobicContact CG2-CG 4.12Å; I93-K110 VanDerWaalsContact O-CE 3.26Å; I93-K110 WeakPolarHBondContact O-CE 3.33Å; I93-K110 PolarHBondContact O-NZ 2.98Å; I93-K110 VanDerWaalsContact O-NZ 3.09Å; C106-K110 WeakPolarHBondContact O-CB 3.39Å; C106-K110 PolarHBondContact O-N 3.22Å; E107-K110 IonicContact OE1-NZ 3Å; E107-K110 PolarHBondContact OE1-NZ 3.01Å; E107-K110 WeakPolarHBondContact OE2-CD 3.42Å; E107-K110 IonicContact OE2-NZ 3.27Å; E107-K110 PolarHBondContact OE2-NZ 2.04Å; K110-L114 HydrophobicContact CG-CD1 3.87Å; K110-L114 WeakPolarHBondContact O-CB 3.44Å; K110-L114 WeakPolarHBondContact O-CD1 3.33Å; K110-L114 WeakPolarHBondContact O-CG 3.47Å; K110-L114 PolarHBondContact O-N 3.43Å
111R98.8Very high98.5Very high145 Ų14551.6 Ų51.655%0.54725%0.248SC..Hα-helixtrans-64-44.1178.2-167.9180-60.9122.43.9111C68 E107 C108 D109 C115C68-R111 PolarHBondContact SG-NH1 3.23Å; E107-R111 WeakPolarHBondContact O-CB 3.02Å; E107-R111 PolarHBondContact O-N 3Å; E107-R111 VanDerWaalsContact O-N 3.11Å; C108-R111 WeakPolarHBondContact O-CB 3.46Å; C108-R111 PolarHBondContact O-N 3.11Å; D109-R111 VanDerWaalsContact C-N 3.29Å; D109-R111 PolarHBondContact O-N 3.2Å; R111-C115 VanDerWaalsContact O-CB 3.29Å; R111-C115 WeakPolarHBondContact O-CB 3.14Å; R111-C115 PolarHBondContact O-N 2.97Å
112A98.6Very high98.5Very high4 Ų454.1 Ų54.13%0.03326%0.262CS..Hα-helixtrans-63.5-48.7176.700000112F24 H65 C108 D109 L114 C115 F116F24-A112 HydrophobicContact CE2-CB 3.94Å; F24-A112 HydrophobicContact CZ-CB 3.64Å; H65-A112 HydrophobicContact CB-CB 4.02Å; C108-A112 PolarHBondContact O-N 2.84Å; D109-A112 PolarHBondContact O-N 3.43Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.09Å; A112-C115 CarbonylContact O-C 3.37Å; A112-C115 WeakPolarHBondContact O-CA 3.27Å; A112-C115 VanDerWaalsContact O-CB 3.29Å; A112-C115 WeakPolarHBondContact O-CB 3.19Å; A112-C115 PolarHBondContact O-N 3.28Å; A112-F116 HydrophobicContact CB-CE2 4.3Å; A112-F116 HydrophobicContact CB-CZ 4.38Å; A112-F116 WeakPolarHBondContact O-CD2 3.09Å; A112-F116 VanDerWaalsContact O-CG 3.29Å; A112-F116 WeakPolarHBondContact O-CG 2.95Å; A112-F116 PolarHBondContact O-N 2.88Å
113A98.4Very high98.5Very high0 Ų053.4 Ų53.40%026%0.258CS..Hα-helixtrans-61.9-38.5179.100000112.9F24 M27 M31 D109 R117F24-A113 HydrophobicContact CE2-CB 4.37Å; M27-A113 HydrophobicContact CG-CB 3.86Å; M27-A113 HydrophobicContact SD-CB 3.98Å; M31-A113 HydrophobicContact CB-CB 4.25Å; M31-A113 HydrophobicContact CG-CB 3.95Å; D109-A113 WeakPolarHBondContact O-CB 3.02Å; D109-A113 PolarHBondContact O-N 2.96Å; A113-R117 PolarHBondContact O-N 2.82Å
114L98.5Very high98.5Very high50 Ų5049.4 Ų49.426%0.26225%0.248SC..Hα-helixtrans-68.2-36.7173.3-71.4169.3000112.2M31 I93 K110 A112 R117 R118M31-L114 HydrophobicContact CE-CD2 3.68Å; I93-L114 HydrophobicContact CD1-CD1 4.47Å; I93-L114 HydrophobicContact CD1-CD2 4.24Å; I93-L114 HydrophobicContact CD1-CG 4.02Å; K110-L114 HydrophobicContact CG-CD1 3.87Å; K110-L114 WeakPolarHBondContact O-CB 3.44Å; K110-L114 WeakPolarHBondContact O-CD1 3.33Å; K110-L114 WeakPolarHBondContact O-CG 3.47Å; K110-L114 PolarHBondContact O-N 3.43Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.09Å; L114-R117 VanDerWaalsContact CD2-NH2 3.35Å; L114-R117 PolarHBondContact O-N 2.83Å; L114-R118 PolarHBondContact O-N 2.79Å
115C98.9Very high98.4Very high19 Ų1955.2 Ų55.213%0.12827%0.265CS..Hα-helixtrans-63.3-47.7174.5-173.90000111C61 R111 A112 R117 R118 N119C61-C115 HydrophobicContact CB-CB 3.66Å; C61-C115 WeakPolarHBondContact CB-SG 3.17Å; C61-C115 WeakPolarHBondContact SG-CB 3.25Å; C61-C115 CovalentContact SG-SG 2.03Å; C61-C115 PolarHBondContact SG-SG 3.2Å; R111-C115 VanDerWaalsContact O-CB 3.29Å; R111-C115 WeakPolarHBondContact O-CB 3.14Å; R111-C115 PolarHBondContact O-N 2.97Å; A112-C115 CarbonylContact O-C 3.37Å; A112-C115 WeakPolarHBondContact O-CA 3.27Å; A112-C115 VanDerWaalsContact O-CB 3.29Å; A112-C115 WeakPolarHBondContact O-CB 3.19Å; A112-C115 PolarHBondContact O-N 3.28Å; C115-R117 VanDerWaalsContact C-N 3.34Å; C115-R117 PolarHBondContact O-N 3.1Å; C115-R118 WeakPolarHBondContact O-CB 3.32Å; C115-R118 PolarHBondContact O-N 2.8Å; C115-R118 VanDerWaalsContact O-N 3.09Å; C115-N119 PolarHBondContact O-N 2.93Å; C115-N119 PolarHBondContact O-ND2 3.24Å
116F98.7Very high98.4Very high3 Ų361.3 Ų61.31%0.01329%0.292CS..Hα-helixtrans-56.5-46.5174-59.6-35.1000112.2F24 I28 T32 Y39 T58 C61 C62 A112 R118 N119 L120F24-F116 HydrophobicContact CE2-CE2 4.29Å; F24-F116 AromaticContact CZ-CE2 3.77Å; F24-F116 HydrophobicContact CZ-CE2 3.77Å; F24-F116 HydrophobicContact CZ-CZ 4.35Å; I28-F116 HydrophobicContact CD1-CD2 4.45Å; I28-F116 HydrophobicContact CD1-CE2 3.95Å; I28-F116 HydrophobicContact CG1-CD2 4Å; I28-F116 HydrophobicContact CG1-CE2 3.94Å; T32-F116 HydrophobicContact CG2-CB 3.69Å; Y39-F116 HydrophobicContact CD1-CB 4.46Å; Y39-F116 AromaticContact CD1-CD1 3.96Å; Y39-F116 HydrophobicContact CD1-CD1 3.96Å; Y39-F116 HydrophobicContact CD1-CD2 4.09Å; Y39-F116 HydrophobicContact CD1-CE1 4.14Å; Y39-F116 HydrophobicContact CD1-CE2 4.3Å; Y39-F116 AromaticContact CD1-CG 3.94Å; Y39-F116 HydrophobicContact CD1-CG 3.94Å; Y39-F116 HydrophobicContact CD1-CZ 4.33Å; Y39-F116 HydrophobicContact CE1-CB 3.8Å; Y39-F116 AromaticContact CE1-CD1 3.95Å; Y39-F116 HydrophobicContact CE1-CD1 3.95Å; Y39-F116 HydrophobicContact CE1-CD2 4.25Å; Y39-F116 AromaticContact CE1-CG 3.77Å; Y39-F116 HydrophobicContact CE1-CG 3.77Å; T58-F116 HydrophobicContact CG2-CD1 3.92Å; T58-F116 HydrophobicContact CG2-CE1 4.16Å; C61-F116 HydrophobicContact CB-CD1 3.62Å; C61-F116 HydrophobicContact CB-CE1 3.43Å; C61-F116 VanDerWaalsContact CB-CE1 3.43Å; C61-F116 HydrophobicContact CB-CZ 4.38Å; C62-F116 WeakPolarHBondContact SG-CE1 3.22Å; C62-F116 VanDerWaalsContact SG-CZ 3.54Å; A112-F116 HydrophobicContact CB-CE2 4.3Å; A112-F116 HydrophobicContact CB-CZ 4.38Å; A112-F116 WeakPolarHBondContact O-CD2 3.09Å; A112-F116 VanDerWaalsContact O-CG 3.29Å; A112-F116 WeakPolarHBondContact O-CG 2.95Å; A112-F116 PolarHBondContact O-N 2.88Å; F116-R118 VanDerWaalsContact C-N 3.29Å; F116-R118 PolarHBondContact O-N 3.23Å; F116-N119 CarbonylContact O-C 3.53Å; F116-N119 PolarHBondContact O-N 2.03Å; F116-N119 VanDerWaalsContact O-N 3.15Å; F116-L120 PolarHBondContact O-N 2.98Å; F116-L120 VanDerWaalsContact O-N 3.16Å
117R98.2Very high98.4Very high121 Ų12163.3 Ų63.346%0.45730%0.299SS..Hα-helixtrans-57.9-42.8176.4-177.4-176.767.8170.34.4111.9M31 A113 L114 C115 N119 L120M31-R117 HydrophobicContact CB-CB 4.45Å; M31-R117 VanDerWaalsContact CE-NH1 3.29Å; M31-R117 WeakPolarHBondContact O-CB 3.48Å; M31-R117 VanDerWaalsContact O-CD 3.3Å; M31-R117 WeakPolarHBondContact O-CD 3.26Å; M31-R117 WeakPolarHBondContact O-CG 3.37Å; A113-R117 PolarHBondContact O-N 2.82Å; L114-R117 VanDerWaalsContact CD2-NH2 3.35Å; L114-R117 PolarHBondContact O-N 2.83Å; C115-R117 VanDerWaalsContact C-N 3.34Å; C115-R117 PolarHBondContact O-N 3.1Å; R117-N119 VanDerWaalsContact C-N 3.29Å; R117-N119 PolarHBondContact O-N 2.82Å; R117-L120 HydrophobicContact CG-CD1 4.26Å; R117-L120 WeakPolarHBondContact O-CB 3.39Å; R117-L120 WeakPolarHBondContact O-CD1 3.21Å; R117-L120 WeakPolarHBondContact O-CG 3.48Å; R117-L120 PolarHBondContact O-N 2.93Å
118R98.6Very high98.3Very high183 Ų18361.1 Ų61.169%0.69129%0.293SS*.Hα-helixtrans-64.7-35.7179.1-176.417763.6-151-1.3111.7L114 C115 F116L114-R118 PolarHBondContact O-N 2.79Å; C115-R118 WeakPolarHBondContact O-CB 3.32Å; C115-R118 PolarHBondContact O-N 2.8Å; C115-R118 VanDerWaalsContact O-N 3.09Å; F116-R118 VanDerWaalsContact C-N 3.29Å; F116-R118 PolarHBondContact O-N 3.23Å
119N98.6Very high98.2Very high19 Ų1966.7 Ų66.710%0.10232%0.319CS..G310 helixtrans-9414.9-176.6-64.6-29.1000113.6E57 C61 C115 F116 R117 G121 T122 Y123E57-N119 HydrophobicContact CB-CB 4.18Å; E57-N119 PolarHBondContact O-ND2 2.83Å; C61-N119 PolarHBondContact SG-ND2 2.93Å; C61-N119 VanDerWaalsContact SG-ND2 3.36Å; C115-N119 PolarHBondContact O-N 2.93Å; C115-N119 PolarHBondContact O-ND2 3.24Å; F116-N119 CarbonylContact O-C 3.53Å; F116-N119 PolarHBondContact O-N 2.03Å; F116-N119 VanDerWaalsContact O-N 3.15Å; R117-N119 VanDerWaalsContact C-N 3.29Å; R117-N119 PolarHBondContact O-N 2.82Å; N119-G121 PolarHBondContact O-N 3.17Å; N119-G121 VanDerWaalsContact O-N 3.16Å; N119-T122 PolarHBondContact O-N 2.93Å; N119-T122 VanDerWaalsContact O-N 3.09Å; N119-T122 PolarHBondContact O-OG1 3.42Å; N119-Y123 PolarHBondContact O-N 2.72Å
120L98.4Very high98.1Very high64 Ų6469 Ų6934%0.33533%0.328SS..G310 helixtrans-56.6-31176.1-81173.7000113.6K34 F116 R117 T122K34-L120 HydrophobicContact CD-CD2 4.31Å; K34-L120 VanDerWaalsContact CE-CD2 3.41Å; F116-L120 PolarHBondContact O-N 2.98Å; F116-L120 VanDerWaalsContact O-N 3.16Å; R117-L120 HydrophobicContact CG-CD1 4.26Å; R117-L120 WeakPolarHBondContact O-CB 3.39Å; R117-L120 WeakPolarHBondContact O-CD1 3.21Å; R117-L120 WeakPolarHBondContact O-CG 3.48Å; R117-L120 PolarHBondContact O-N 2.93Å; L120-T122 VanDerWaalsContact C-N 3.3Å; L120-T122 PolarHBondContact O-N 3.25Å
121G98.3Very high97.9Very high81 Ų8169.7 Ų69.784%0.83534%0.336SS*.G310 helixtrans-69.9-24.5179.400000114N119N119-G121 PolarHBondContact O-N 3.17Å; N119-G121 VanDerWaalsContact O-N 3.16Å
122T98.3Very high97.6Very high80 Ų8067.7 Ų67.749%0.49134%0.337SS..THydrogen-bonded Turntrans-109.3-5.9179.156.80000113N119 L120 N124N119-T122 PolarHBondContact O-N 2.93Å; N119-T122 VanDerWaalsContact O-N 3.09Å; N119-T122 PolarHBondContact O-OG1 3.42Å; L120-T122 VanDerWaalsContact C-N 3.3Å; L120-T122 PolarHBondContact O-N 3.25Å; T122-N124 PolarHBondContact O-N 2.67Å
123Y98.5Very high97.4Very high24 Ų2477.8 Ų77.89%0.09437%0.374CS..  trans-53.2125.9174.2178.3-83.4000110.6K34 Q38 Y39 Y42 T58 N119 R125K34-Y123 HydrophobicContact CD-CD1 4.33Å; K34-Y123 HydrophobicContact CD-CE1 4.19Å; K34-Y123 HydrophobicContact CD-CE2 4.44Å; Q38-Y123 WeakPolarHBondContact CB-OH 3.46Å; Q38-Y123 PolarHBondContact O-OH 2.76Å; Y39-Y123 HydrophobicContact CD1-CE2 4.15Å; Y39-Y123 AromaticContact CE1-CD2 3.76Å; Y39-Y123 HydrophobicContact CE1-CD2 3.76Å; Y39-Y123 AromaticContact CE1-CE2 3.68Å; Y39-Y123 HydrophobicContact CE1-CE2 3.68Å; Y39-Y123 HydrophobicContact CE2-CE2 4.48Å; Y39-Y123 AromaticContact CZ-CD2 3.99Å; Y39-Y123 AromaticContact CZ-CE2 3.88Å; Y42-Y123 AromaticContact CD2-CE2 3.72Å; Y42-Y123 HydrophobicContact CD2-CE2 3.72Å; Y42-Y123 AromaticContact CE2-CD2 3.89Å; Y42-Y123 HydrophobicContact CE2-CD2 3.89Å; Y42-Y123 HydrophobicContact CE2-CE1 4.41Å; Y42-Y123 AromaticContact CE2-CE2 3.38Å; Y42-Y123 HydrophobicContact CE2-CE2 3.38Å; Y42-Y123 AromaticContact CE2-CZ 3.66Å; T58-Y123 HydrophobicContact CG2-CD2 4.18Å; N119-Y123 PolarHBondContact O-N 2.72Å; Y123-R125 HydrophobicContact CE1-CG 3.95Å
124N98.1Very high97.4Very high62 Ų6281.8 Ų81.833%0.33240%0.395SS..  trans-124.8117.3-177.2-165.6-28.7000111.5Y42 T122 K126 Y127Y42-N124 VanDerWaalsContact CE2-O 3.26Å; Y42-N124 WeakPolarHBondContact CE2-O 3.01Å; Y42-N124 PolarHBondContact OH-N 3.12Å; Y42-N124 PolarHBondContact OH-O 2.86Å; T122-N124 PolarHBondContact O-N 2.67Å; N124-K126 HydrophobicContact CB-CG 4.37Å; N124-K126 WeakPolarHBondContact ND2-CD 3.44Å; N124-K126 WeakPolarHBondContact ND2-CE 3.22Å; N124-K126 PolarHBondContact O-N 2.03Å; N124-K126 WeakPolarHBondContact OD1-CB 3.42Å; N124-K126 VanDerWaalsContact OD1-CG 3.27Å; N124-K126 WeakPolarHBondContact OD1-CG 3.46Å; N124-K126 PolarHBondContact OD1-N 2.81Å; N124-K126 VanDerWaalsContact OD1-N 3.09Å; N124-Y127 HydrophobicContact CB-CD2 3.76Å; N124-Y127 HydrophobicContact CB-CE2 4.05Å; N124-Y127 PolarHBondContact O-N 2.91Å
125R97.4Very high97.3Very high188 Ų18879.7 Ų79.771%0.70938%0.384SS*.G310 helixtrans-56.6-23.6-179.9-70.4-177.9-177173.30.7113.7Y123 Y127 A128Y123-R125 HydrophobicContact CE1-CG 3.95Å; R125-Y127 PolarHBondContact O-N 3.11Å; R125-A128 WeakPolarHBondContact O-CB 3.43Å; R125-A128 PolarHBondContact O-N 3.32Å; R125-A128 VanDerWaalsContact O-N 3.11Å
126K97.8Very high97.3Very high128 Ų12883.6 Ų83.656%0.55741%0.408SS*.G310 helixtrans-64.1-20.7177.582.6-173-179.4173.10113.4N124N124-K126 HydrophobicContact CB-CG 4.37Å; N124-K126 WeakPolarHBondContact ND2-CD 3.44Å; N124-K126 WeakPolarHBondContact ND2-CE 3.22Å; N124-K126 PolarHBondContact O-N 2.03Å; N124-K126 WeakPolarHBondContact OD1-CB 3.42Å; N124-K126 VanDerWaalsContact OD1-CG 3.27Å; N124-K126 WeakPolarHBondContact OD1-CG 3.46Å; N124-K126 PolarHBondContact OD1-N 2.81Å; N124-K126 VanDerWaalsContact OD1-N 3.09Å
127Y98.3Very high97.3Very high41 Ų4185.6 Ų85.616%0.16143%0.429CS..G310 helixtrans-94.8-2.5177.8-61-53.5000112.5Y42 G43 V55 D56 N124 R125 Y130Y42-Y127 CarbonylContact C-O 3.59Å; Y42-Y127 VanDerWaalsContact CA-O 3.27Å; Y42-Y127 WeakPolarHBondContact CA-O 3.33Å; Y42-Y127 HydrophobicContact CE1-CD2 4.44Å; Y42-Y127 HydrophobicContact CE1-CG 4.49Å; Y42-Y127 VanDerWaalsContact CZ-CB 3.47Å; G43-Y127 PolarHBondContact N-O 3.47Å; V55-Y127 HydrophobicContact CB-CD1 4.02Å; V55-Y127 HydrophobicContact CB-CE1 3.82Å; V55-Y127 HydrophobicContact CB-CE2 4.47Å; V55-Y127 HydrophobicContact CB-CG 4.42Å; V55-Y127 HydrophobicContact CG1-CD1 4.44Å; V55-Y127 HydrophobicContact CG1-CE1 4.34Å; V55-Y127 HydrophobicContact CG2-CD1 3.7Å; V55-Y127 HydrophobicContact CG2-CD2 3.92Å; V55-Y127 HydrophobicContact CG2-CE1 3.99Å; V55-Y127 HydrophobicContact CG2-CE2 4.23Å; V55-Y127 HydrophobicContact CG2-CG 3.67Å; D56-Y127 HydrophobicContact CB-CE2 4.33Å; D56-Y127 WeakPolarHBondContact OD2-CD2 3.45Å; N124-Y127 HydrophobicContact CB-CD2 3.76Å; N124-Y127 HydrophobicContact CB-CE2 4.05Å; N124-Y127 PolarHBondContact O-N 2.91Å; R125-Y127 PolarHBondContact O-N 3.11Å; Y127-Y130 AromaticContact CD1-CD2 3.72Å; Y127-Y130 HydrophobicContact CD1-CD2 3.72Å; Y127-Y130 AromaticContact CD1-CE2 3.78Å; Y127-Y130 HydrophobicContact CD1-CE2 3.78Å; Y127-Y130 HydrophobicContact CD1-CG 4.29Å; Y127-Y130 HydrophobicContact CE1-CD2 4.45Å; Y127-Y130 HydrophobicContact CE1-CE2 4.05Å; Y127-Y130 WeakPolarHBondContact O-CB 3.44Å
128A97Very high97.3Very high23 Ų2384.3 Ų84.319%0.1944%0.436CS..BIsolated β-bridgetrans-73136.4164.900000109.2Y42 R125 Y130Y42-A128 HydrophobicContact CD2-CB 4.31Å; R125-A128 WeakPolarHBondContact O-CB 3.43Å; R125-A128 PolarHBondContact O-N 3.32Å; R125-A128 VanDerWaalsContact O-N 3.11Å; A128-Y130 PolarHBondContact O-N 2.75Å
129H95.9Very high97.2Very high122 Ų12279.5 Ų79.557%0.56543%0.428SS*.THydrogen-bonded Turntrans54.540.4-171.1-50.9-60.9000112.7D41 P131D41-H129 WeakPolarHBondContact O-CA 3.45Å; D41-H129 PolarHBondContact O-N 2.99Å; D41-H129 WeakPolarHBondContact OD2-CA 3.45Å; D41-H129 IonicContact OD2-CE1 2.72Å; D41-H129 IonicContact OD2-CG 3.64Å; D41-H129 IonicContact OD2-ND1 3.72Å; D41-H129 PolarHBondContact OD2-ND1 2.84Å; H129-P131 WeakPolarHBondContact O-CD 3.38Å
130Y96.2Very high97.2Very high49 Ų4979.1 Ų79.119%0.19243%0.426CS..  trans-69.5126-176.7-167.7-111.1000110.5V55 Y127 A128 N132 L134V55-Y130 HydrophobicContact CG1-CD1 4.23Å; V55-Y130 HydrophobicContact CG1-CE1 3.83Å; Y127-Y130 AromaticContact CD1-CD2 3.72Å; Y127-Y130 HydrophobicContact CD1-CD2 3.72Å; Y127-Y130 AromaticContact CD1-CE2 3.78Å; Y127-Y130 HydrophobicContact CD1-CE2 3.78Å; Y127-Y130 HydrophobicContact CD1-CG 4.29Å; Y127-Y130 HydrophobicContact CE1-CD2 4.45Å; Y127-Y130 HydrophobicContact CE1-CE2 4.05Å; Y127-Y130 WeakPolarHBondContact O-CB 3.44Å; A128-Y130 PolarHBondContact O-N 2.75Å; Y130-N132 PolarHBondContact O-N 2.74Å; Y130-N132 VanDerWaalsContact O-N 3.12Å; Y130-L134 HydrophobicContact CE1-CB 3.65Å; Y130-L134 HydrophobicContact CE2-CB 4.39Å; Y130-L134 HydrophobicContact CE2-CD1 4Å; Y130-L134 WeakPolarHBondContact OH-CB 3.43Å
131P95.3Very high97.2Very high57 Ų5781.3 Ų81.337%0.3744%0.444SS..  trans-65.3117.1-178.6-20.330.4000111.5H129 R133 L134H129-P131 WeakPolarHBondContact O-CD 3.38Å; P131-R133 HydrophobicContact CB-CG 3.96Å; P131-R133 PolarHBondContact O-N 3.06Å; P131-L134 HydrophobicContact CB-CD1 4.28Å; P131-L134 HydrophobicContact CB-CG 4.25Å; P131-L134 HydrophobicContact CG-CD1 4.09Å; P131-L134 WeakPolarHBondContact O-CB 2.98Å; P131-L134 PolarHBondContact O-N 3.17Å
132N91.4Very high97.1Very high104 Ų10483.9 Ų83.956%0.55645%0.448SS*.G310 helixtrans-51.5-26.7179.4-72.5-10.9000114.5Y130 L134 C135Y130-N132 PolarHBondContact O-N 2.74Å; Y130-N132 VanDerWaalsContact O-N 3.12Å; N132-L134 PolarHBondContact O-N 2.82Å; N132-C135 VanDerWaalsContact O-CB 3.22Å; N132-C135 WeakPolarHBondContact O-CB 3.49Å; N132-C135 PolarHBondContact O-N 2.93Å
133R95.1Very high97.1Very high216 Ų21684.1 Ų84.182%0.81545%0.446SS*.G310 helixtrans-61.9-17.8173.767.2177.8-179.9173.4-0.6114.5P131P131-R133 HydrophobicContact CB-CG 3.96Å; P131-R133 PolarHBondContact O-N 3.06Å
134L97.2Very high97Very high83 Ų8387.3 Ų87.344%0.43546%0.464SS..G310 helixtrans-93.3-5.5177.5-58.7-179.9000112.3Y130 P131 N132Y130-L134 HydrophobicContact CE1-CB 3.65Å; Y130-L134 HydrophobicContact CE2-CB 4.39Å; Y130-L134 HydrophobicContact CE2-CD1 4Å; Y130-L134 WeakPolarHBondContact OH-CB 3.43Å; P131-L134 HydrophobicContact CB-CD1 4.28Å; P131-L134 HydrophobicContact CB-CG 4.25Å; P131-L134 HydrophobicContact CG-CD1 4.09Å; P131-L134 WeakPolarHBondContact O-CB 2.98Å; P131-L134 PolarHBondContact O-N 3.17Å; N132-L134 PolarHBondContact O-N 2.82Å
135C98.1Very high97Very high7 Ų788.7 Ų88.75%0.04747%0.472CS..  trans-73.6123.7170.9-61.60000108.7C44 H52 N132C44-C135 WeakPolarHBondContact CA-SG 2.95Å; C44-C135 HydrophobicContact CB-CB 3.84Å; C44-C135 WeakPolarHBondContact CB-SG 3.43Å; C44-C135 VanDerWaalsContact SG-CA 3.51Å; C44-C135 WeakPolarHBondContact SG-CB 3.41Å; C44-C135 CovalentContact SG-SG 2.03Å; C44-C135 PolarHBondContact SG-SG 3.15Å; H52-C135 HydrophobicContact CB-CB 4.03Å; N132-C135 VanDerWaalsContact O-CB 3.22Å; N132-C135 WeakPolarHBondContact O-CB 3.49Å; N132-C135 PolarHBondContact O-N 2.93Å
136T98.1Very high96.9Very high101 Ų10182.8 Ų82.862%0.6246%0.458SS*.  trans-142.7165.8-174.262.90000110.5H52 W53H52-T136 WeakPolarHBondContact CB-O 3.34Å; W53-T136 WeakPolarHBondContact CB-O 3.44Å; W53-T136 PolarHBondContact N-O 2.98Å; W53-T136 VanDerWaalsContact N-O 3.11Å
137G97.9Very high96.9Very high44 Ų4480 Ų8045%0.45445%0.451SS..SBendtrans87.2178.7-175.400000113.3H52H52-G137 WeakPolarHBondContact CA-O 3.35Å; H52-G137 WeakPolarHBondContact CB-O 3.41Å; H52-G137 PolarHBondContact CD2-O 2.93Å
138P98.1Very high96.8Very high94 Ų9482.6 Ų82.661%0.6147%0.471SS*.PPolyproline II helixtrans-70.9148-177.430-34.2000111.4H52 W53 P140H52-P138 CarbonylContact C-O 3.57Å; H52-P138 VanDerWaalsContact C-O 3.27Å; W53-P138 HydrophobicContact CE3-CG 4.13Å; W53-P138 HydrophobicContact CZ3-CG 4.45Å; W53-P138 PolarHBondContact N-O 3.46Å; P138-P140 WeakPolarHBondContact O-CD 3.22Å
139T98.4Very high96.8Very high83 Ų8386.9 Ų86.951%0.50949%0.491SS..PPolyproline II helixtrans-73.9119.1168-58.70000108.9Y45 H52Y45-T139 VanDerWaalsContact OH-CG2 3.31Å; Y45-T139 WeakPolarHBondContact OH-CG2 3.44Å; H52-T139 PolarHBondContact N-OG1 2.81Å
140P98.4Very high96.8Very high11 Ų1184.2 Ų84.27%0.07149%0.485CS..PPolyproline II helixtrans-65.5144.9176.7-15.627.8000111.5Y45 H52 W53 P54 W60 H63 P138Y45-P140 WeakPolarHBondContact OH-CD 3.31Å; H52-P140 VanDerWaalsContact O-CD 3.26Å; H52-P140 WeakPolarHBondContact O-CD 3.36Å; W53-P140 HydrophobicContact CD2-CG 4.42Å; W53-P140 HydrophobicContact CE3-CG 3.75Å; W53-P140 HydrophobicContact CZ3-CB 4.4Å; W53-P140 HydrophobicContact CZ3-CG 3.87Å; P54-P140 HydrophobicContact CG-CG 4.25Å; W60-P140 HydrophobicContact CH2-CB 3.57Å; W60-P140 HydrophobicContact CH2-CG 3.35Å; W60-P140 HydrophobicContact CZ2-CG 4.15Å; W60-P140 HydrophobicContact CZ3-CB 3.83Å; W60-P140 HydrophobicContact CZ3-CG 3.83Å; H63-P140 PolarHBondContact NE2-O 2.95Å; P138-P140 WeakPolarHBondContact O-CD 3.22Å
141P98Very high96.9Very high110 Ų11087.1 Ų87.171%0.71451%0.509SS*.PPolyproline II helixtrans-69.1156.9174.932-36000111.4H63H63-P141 PolarHBondContact CE1-O 2.81Å; H63-P141 VanDerWaalsContact CE1-O 3.23Å
142C96.8Very high97Very high135 Ų13589.8 Ų89.891%0.91252%0.522SS*.  trans-76.60152.4-55.20000109.6C67C67-C142 WeakPolarHBondContact CA-SG 3.43Å; C67-C142 HydrophobicContact CB-CB 3.68Å; C67-C142 WeakPolarHBondContact CB-SG 3.16Å; C67-C142 WeakPolarHBondContact SG-CA 3.34Å; C67-C142 WeakPolarHBondContact SG-CB 3.44Å; C67-C142 CovalentContact SG-SG 2.03Å; C67-C142 PolarHBondContact SG-SG 2.93Å

Retrieved 142 of 142 residues in 364.3 ms (Link to these results)

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