A0A087WY55_HUMAN Loading...

Vacuolar protein sorting-associated protein VTA1 homolog

AlphaFold DB , UniProt , Accession A0A087WY55, Species HUMAN (Homo sapiens, Human), Gene VTA1, Length 280 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
1M47.7Very low79.7Confident172 Ų17274.8 Ų74.885%0.84749%0.488SS*.  0131.80-65.1-168.5-164.800108.3P32 Q73M1-P32 HydrophobicContact CE-CG 4.32Å; M1-Q73 PolarHBondContact SD-NE2 2.82Å
2A49.5Very low81.1Confident85 Ų8575.7 Ų75.770%0.70251%0.506SS*.PPolyproline II helixtrans-68.1132.2171.200000108.3L4A2-L4 PolarHBondContact O-N 3.3Å
3A61Low82.2Confident98 Ų9876.3 Ų76.381%0.8150%0.497SS*.PPolyproline II helixtrans-65.4128.817400000108.7A5A3-A5 PolarHBondContact O-N 3.16Å
4L77.6Confident83.2Confident41 Ų4170.9 Ų70.922%0.21546%0.462CS..PPolyproline II helixtrans-59134.6173.8-65.7167.7000109A2 Q66 A69 L70A2-L4 PolarHBondContact O-N 3.3Å; L4-Q66 HydrophobicContact CB-CG 4.18Å; L4-Q66 HydrophobicContact CD1-CB 4.48Å; L4-Q66 HydrophobicContact CD2-CB 4.38Å; L4-Q66 HydrophobicContact CD2-CG 4.49Å; L4-A69 HydrophobicContact CD2-CB 3.79Å; L4-L70 HydrophobicContact CD1-CD1 3.64Å; L4-L70 HydrophobicContact CD1-CD2 3.93Å; L4-L70 HydrophobicContact CD1-CG 3.63Å; L4-L70 HydrophobicContact CD2-CG 4.13Å; L4-L70 HydrophobicContact CG-CG 4.43Å
5A82.4Confident84.1Confident73 Ų7373.6 Ų73.660%0.60346%0.463SS*.PPolyproline II helixtrans-57.8133.5177.400000109.7A3 Q66A3-A5 PolarHBondContact O-N 3.16Å; A5-Q66 PolarHBondContact O-NE2 3.05Å
6P88.3Confident84.8Confident118 Ų11873.7 Ų73.777%0.76647%0.467SS*.PPolyproline II helixtrans-60.2143.9-175.821.9-31.4000112.2
7L91.1Very high85.5Confident37 Ų3769.4 Ų69.419%0.19444%0.44CS..PPolyproline II helixtrans-71.1152175.8-63.8175.6000110.5L21 F59 K62 L63 Q66L7-L21 HydrophobicContact CD1-CD2 4.38Å; L7-F59 HydrophobicContact CB-CE2 3.93Å; L7-F59 HydrophobicContact CB-CZ 4.42Å; L7-F59 HydrophobicContact CD1-CE2 4.2Å; L7-F59 HydrophobicContact CD1-CZ 3.83Å; L7-K62 HydrophobicContact CD2-CB 4.09Å; L7-L63 HydrophobicContact CD1-CD1 3.98Å; L7-L63 HydrophobicContact CD2-CB 4.18Å; L7-L63 HydrophobicContact CD2-CD1 4.36Å; L7-Q66 VanDerWaalsContact CD2-CD 3.49Å; L7-Q66 HydrophobicContact CD2-CG 4.07Å
8P93.1Very high86.1Confident38 Ų3869.6 Ų69.625%0.24743%0.434CS..PPolyproline II helixtrans-55.6165.3165.9-21.133000111.7L10 F59 K62P8-L10 PolarHBondContact O-N 3.34Å; P8-F59 HydrophobicContact CB-CD2 4.31Å; P8-F59 WeakPolarHBondContact O-CE2 3.47Å; P8-K62 HydrophobicContact CG-CB 4.19Å; P8-K62 HydrophobicContact CG-CG 3.95Å
9P94.8Very high86.7Confident109 Ų10969.3 Ų69.371%0.70843%0.427SS*.PPolyproline II helixtrans-50.3140.1169.5-24.634.6000110.9P11P9-P11 VanDerWaalsContact O-CD 3.29Å; P9-P11 WeakPolarHBondContact O-CD 3.2Å
10L94.9Very high87.2Confident50 Ų5066.3 Ų66.326%0.26241%0.408SS..PPolyproline II helixtrans-69.5120.9-179.3-172.669.8000109.4P8 F14 Q18 L21 F59P8-L10 PolarHBondContact O-N 3.34Å; L10-F14 HydrophobicContact CD1-CB 3.67Å; L10-F14 HydrophobicContact CD1-CD2 4.41Å; L10-F14 HydrophobicContact CG-CB 4.07Å; L10-Q18 HydrophobicContact CD2-CB 3.43Å; L10-Q18 VanDerWaalsContact CD2-CB 3.43Å; L10-Q18 HydrophobicContact CD2-CG 3.61Å; L10-L21 HydrophobicContact CD1-CD1 3.72Å; L10-F59 HydrophobicContact CD1-CE1 3.88Å; L10-F59 HydrophobicContact CD1-CE2 3.79Å; L10-F59 HydrophobicContact CD1-CZ 3.43Å; L10-F59 VanDerWaalsContact CD1-CZ 3.43Å
11P96.3Very high87.7Confident2 Ų263.7 Ų63.71%0.01339%0.391CS..PPolyproline II helixtrans-59.2148.4174.5-2232.6000111.6P9 Q13 F14 E55 F59P9-P11 VanDerWaalsContact O-CD 3.29Å; P9-P11 WeakPolarHBondContact O-CD 3.2Å; P11-Q13 PolarHBondContact O-N 3.27Å; P11-F14 HydrophobicContact CB-CD2 4.28Å; P11-F14 HydrophobicContact CG-CD2 3.88Å; P11-F14 HydrophobicContact CG-CE2 4.17Å; P11-F14 PolarHBondContact O-N 3.32Å; P11-E55 HydrophobicContact CB-CG 4.46Å; P11-E55 HydrophobicContact CG-CG 4.16Å; P11-F59 HydrophobicContact CG-CB 3.94Å; P11-F59 HydrophobicContact CG-CG 4.25Å
12A95.9Very high90Very high85 Ų8560.4 Ų60.470%0.70237%0.37SS*.G310 helixtrans-58.9-33.3-177.800000113F14 K15A12-F14 PolarHBondContact O-N 2.85Å; A12-K15 WeakPolarHBondContact O-CB 3.39Å; A12-K15 PolarHBondContact O-N 2.89Å
13Q95.4Very high92.2Very high84 Ų8456.6 Ų56.639%0.39334%0.338SS..G310 helixtrans-60.3-28.9176.4-63.381.6-9.700112P11 I49P11-Q13 PolarHBondContact O-N 3.27Å; Q13-I49 HydrophobicContact CB-CG2 4.23Å
14F97.1Very high93.9Very high0 Ų052 Ų520%030%0.299CS..G310 helixtrans-95.517.1-176.6-64.7-16.6000113.3L10 P11 A12 S16 I17 Q18 G46 I49 D50 C56 F59 L60L10-F14 HydrophobicContact CD1-CB 3.67Å; L10-F14 HydrophobicContact CD1-CD2 4.41Å; L10-F14 HydrophobicContact CG-CB 4.07Å; P11-F14 HydrophobicContact CB-CD2 4.28Å; P11-F14 HydrophobicContact CG-CD2 3.88Å; P11-F14 HydrophobicContact CG-CE2 4.17Å; P11-F14 PolarHBondContact O-N 3.32Å; A12-F14 PolarHBondContact O-N 2.85Å; F14-S16 PolarHBondContact O-N 3.13Å; F14-I17 HydrophobicContact CB-CD1 3.84Å; F14-I17 HydrophobicContact CB-CG1 3.76Å; F14-I17 HydrophobicContact CD1-CD1 4.44Å; F14-I17 HydrophobicContact CD2-CD1 4.36Å; F14-I17 HydrophobicContact CG-CD1 3.98Å; F14-I17 HydrophobicContact CG-CG1 4.42Å; F14-I17 WeakPolarHBondContact O-CG1 3.21Å; F14-I17 PolarHBondContact O-N 3.24Å; F14-I17 VanDerWaalsContact O-N 3.09Å; F14-Q18 PolarHBondContact O-N 3.36Å; F14-G46 VanDerWaalsContact CE1-O 3.29Å; F14-G46 WeakPolarHBondContact CE1-O 3.4Å; F14-I49 HydrophobicContact CD1-CB 4.29Å; F14-I49 HydrophobicContact CD1-CD1 4.38Å; F14-I49 HydrophobicContact CD1-CG2 4.12Å; F14-I49 HydrophobicContact CE1-CB 4.13Å; F14-I49 HydrophobicContact CE1-CG2 4.16Å; F14-D50 HydrophobicContact CE1-CB 4.33Å; F14-D50 WeakPolarHBondContact CZ-O 3.44Å; F14-C56 HydrophobicContact CE1-CB 4.38Å; F14-C56 HydrophobicContact CE2-CB 3.95Å; F14-C56 HydrophobicContact CZ-CB 3.6Å; F14-F59 AromaticContact CD2-CD1 3.74Å; F14-F59 HydrophobicContact CD2-CD1 3.74Å; F14-F59 HydrophobicContact CD2-CE1 4.19Å; F14-F59 HydrophobicContact CD2-CG 4.34Å; F14-F59 HydrophobicContact CE2-CB 4.4Å; F14-F59 AromaticContact CE2-CD1 3.83Å; F14-F59 HydrophobicContact CE2-CD1 3.83Å; F14-F59 HydrophobicContact CE2-CG 4.41Å; F14-L60 HydrophobicContact CE2-CD1 4.39Å; F14-L60 HydrophobicContact CE2-CD2 3.96Å; F14-L60 HydrophobicContact CE2-CG 3.86Å; F14-L60 HydrophobicContact CZ-CD1 3.88Å; F14-L60 HydrophobicContact CZ-CD2 4.03Å; F14-L60 HydrophobicContact CZ-CG 3.86Å
15K96.4Very high94.7Very high112 Ų11255.5 Ų55.549%0.48732%0.315SS..G310 helixtrans-54.4-35.5177.9-173180178.9-172.10112.8A12 I17 Q18A12-K15 WeakPolarHBondContact O-CB 3.39Å; A12-K15 PolarHBondContact O-N 2.89Å; K15-I17 VanDerWaalsContact C-N 3.31Å; K15-I17 PolarHBondContact O-N 3.31Å; K15-Q18 VanDerWaalsContact O-CB 3.26Å; K15-Q18 WeakPolarHBondContact O-CB 3.27Å; K15-Q18 PolarHBondContact O-N 2.74Å
16S95.8Very high95.3Very high75 Ų7556.3 Ų56.352%0.52431%0.306SS..G310 helixtrans-64.1-30.7179.355.50000113.8F14 H20 I49F14-S16 PolarHBondContact O-N 3.13Å; S16-H20 PolarHBondContact O-CE1 2.71Å; S16-H20 PolarHBondContact O-ND1 2.83Å; S16-I49 WeakPolarHBondContact OG-CD1 3.44Å
17I96.6Very high95.6Very high1 Ų150.9 Ų50.91%0.00527%0.27CS..G310 helixtrans-94.90.3179.760.6170.8000113.6F14 K15 H19 H20 L21 Y41 A42 T45F14-I17 HydrophobicContact CB-CD1 3.84Å; F14-I17 HydrophobicContact CB-CG1 3.76Å; F14-I17 HydrophobicContact CD1-CD1 4.44Å; F14-I17 HydrophobicContact CD2-CD1 4.36Å; F14-I17 HydrophobicContact CG-CD1 3.98Å; F14-I17 HydrophobicContact CG-CG1 4.42Å; F14-I17 WeakPolarHBondContact O-CG1 3.21Å; F14-I17 PolarHBondContact O-N 3.24Å; F14-I17 VanDerWaalsContact O-N 3.09Å; K15-I17 VanDerWaalsContact C-N 3.31Å; K15-I17 PolarHBondContact O-N 3.31Å; I17-H19 VanDerWaalsContact C-N 3.31Å; I17-H19 PolarHBondContact O-N 2.71Å; I17-H20 PolarHBondContact O-N 3.29Å; I17-L21 HydrophobicContact CD1-CD1 4.38Å; I17-L21 HydrophobicContact CG1-CD1 4.39Å; I17-L21 PolarHBondContact O-N 2.68Å; I17-L21 VanDerWaalsContact O-N 3.08Å; I17-Y41 HydrophobicContact CG2-CE1 4.43Å; I17-A42 HydrophobicContact CB-CB 4.36Å; I17-A42 HydrophobicContact CD1-CB 4.15Å; I17-A42 WeakPolarHBondContact CD1-O 3.35Å; I17-T45 HydrophobicContact CG2-CG2 3.5Å; I17-T45 VanDerWaalsContact CG2-CG2 3.5Å
18Q96.6Very high95.7Very high72 Ų7251.4 Ų51.434%0.33627%0.273SS..Hα-helixtrans-56.4-44.2-177.2-175-179.4-76.700112.4L10 F14 K15 L21 R22L10-Q18 HydrophobicContact CD2-CB 3.43Å; L10-Q18 VanDerWaalsContact CD2-CB 3.43Å; L10-Q18 HydrophobicContact CD2-CG 3.61Å; F14-Q18 PolarHBondContact O-N 3.36Å; K15-Q18 VanDerWaalsContact O-CB 3.26Å; K15-Q18 WeakPolarHBondContact O-CB 3.27Å; K15-Q18 PolarHBondContact O-N 2.74Å; Q18-L21 PolarHBondContact O-N 3.05Å; Q18-R22 PolarHBondContact O-N 2.88Å
19H96.4Very high95.7Very high64 Ų6459 Ų5930%0.29630%0.302SS..Hα-helixtrans-74.2-32.2-175.5-69.9-79.3000112.2I17 R22 T23 Y119 L123I17-H19 VanDerWaalsContact C-N 3.31Å; I17-H19 PolarHBondContact O-N 2.71Å; H19-R22 PolarHBondContact O-N 2.93Å; H19-T23 PolarHBondContact O-N 3.49Å; H19-T23 PolarHBondContact O-OG1 2.97Å; H19-Y119 HydrophobicContact CB-CE1 4.31Å; H19-Y119 VanDerWaalsContact CG-OH 3.3Å; H19-L123 HydrophobicContact CB-CD1 3.88Å; H19-L123 HydrophobicContact CB-CD2 4.28Å
20H97.6Very high95.7Very high10 Ų1062.5 Ų62.55%0.04630%0.302CS..Hα-helixtrans-66.4-41.5172.4-47.978.8000111.1S16 I17 T23 A24 Y41 D126S16-H20 PolarHBondContact O-CE1 2.71Å; S16-H20 PolarHBondContact O-ND1 2.83Å; I17-H20 PolarHBondContact O-N 3.29Å; H20-T23 WeakPolarHBondContact O-CB 3.32Å; H20-T23 PolarHBondContact O-N 2.96Å; H20-A24 PolarHBondContact O-N 3.36Å; H20-Y41 HydrophobicContact CB-CD1 4.06Å; H20-Y41 HydrophobicContact CB-CE1 4.3Å; H20-Y41 AromaticContact CD2-CD1 3.72Å; H20-Y41 AromaticContact CD2-CE1 3.35Å; H20-Y41 WeakPolarHBondContact CD2-CE1 3.34Å; H20-Y41 AromaticContact CE1-CE1 3.86Å; H20-Y41 AromaticContact CG-CD1 3.88Å; H20-Y41 AromaticContact CG-CE1 3.63Å; H20-Y41 AromaticContact ND1-CE1 3.97Å; H20-Y41 AromaticContact NE2-CE1 3.51Å; H20-D126 IonicContact NE2-OD2 2.87Å
21L97.1Very high95.7Very high12 Ų1261.2 Ų61.26%0.06330%0.295CS..Hα-helixtrans-65.7-39.6175.2-73.4169.9000112.8L7 L10 I17 Q18 T23 A24 Q25 R39 A42 F59 L63L7-L21 HydrophobicContact CD1-CD2 4.38Å; L10-L21 HydrophobicContact CD1-CD1 3.72Å; I17-L21 HydrophobicContact CD1-CD1 4.38Å; I17-L21 HydrophobicContact CG1-CD1 4.39Å; I17-L21 PolarHBondContact O-N 2.68Å; I17-L21 VanDerWaalsContact O-N 3.08Å; Q18-L21 PolarHBondContact O-N 3.05Å; L21-T23 VanDerWaalsContact C-N 3.32Å; L21-A24 WeakPolarHBondContact O-CB 3.35Å; L21-A24 PolarHBondContact O-N 2.92Å; L21-Q25 WeakPolarHBondContact O-CG 3.31Å; L21-Q25 PolarHBondContact O-N 3.44Å; L21-Q25 VanDerWaalsContact O-N 3.14Å; L21-R39 HydrophobicContact CD2-CG 4.48Å; L21-A42 HydrophobicContact CD1-CB 4.44Å; L21-A42 HydrophobicContact CD2-CB 3.51Å; L21-A42 HydrophobicContact CG-CB 3.74Å; L21-F59 HydrophobicContact CD1-CE1 4.09Å; L21-F59 HydrophobicContact CD1-CZ 3.7Å; L21-L63 HydrophobicContact CD2-CD1 4.03Å; L21-L63 HydrophobicContact CD2-CD2 4.35Å
22R96.2Very high95.7Very high103 Ų10362.3 Ų62.339%0.38930%0.302SS..Hα-helixtrans-62-42.9172.6-175178.7-63172.92.3111.1Q18 H19 A24 Q25 E26Q18-R22 PolarHBondContact O-N 2.88Å; H19-R22 PolarHBondContact O-N 2.93Å; R22-A24 VanDerWaalsContact C-N 3.26Å; R22-A24 PolarHBondContact O-N 3.42Å; R22-Q25 WeakPolarHBondContact O-CB 3.29Å; R22-Q25 PolarHBondContact O-N 3.33Å; R22-Q25 VanDerWaalsContact O-N 3.16Å; R22-E26 WeakPolarHBondContact O-CG 3.31Å; R22-E26 PolarHBondContact O-N 2.99Å
23T96.1Very high95.7Very high5 Ų558.5 Ų58.53%0.03127%0.27CS..Hα-helixtrans-58.3-41.7175.2-56.90000110.6H19 H20 L21 Q25 E26 H27 T120H19-T23 PolarHBondContact O-N 3.49Å; H19-T23 PolarHBondContact O-OG1 2.97Å; H20-T23 WeakPolarHBondContact O-CB 3.32Å; H20-T23 PolarHBondContact O-N 2.96Å; L21-T23 VanDerWaalsContact C-N 3.32Å; T23-Q25 PolarHBondContact O-N 3.39Å; T23-E26 PolarHBondContact O-N 2.63Å; T23-H27 PolarHBondContact O-N 3.26Å; T23-H27 PolarHBondContact O-ND1 3.33Å; T23-T120 HydrophobicContact CG2-CG2 3.6Å
24A96.7Very high95.8Very high0 Ų054.5 Ų54.50%025%0.251CS..Hα-helixtrans-57.7-46.8175.300000112.6H20 L21 R22 E26 H27 D28 A35 C38 R39H20-A24 PolarHBondContact O-N 3.36Å; L21-A24 WeakPolarHBondContact O-CB 3.35Å; L21-A24 PolarHBondContact O-N 2.92Å; R22-A24 VanDerWaalsContact C-N 3.26Å; R22-A24 PolarHBondContact O-N 3.42Å; A24-E26 VanDerWaalsContact C-N 3.34Å; A24-E26 PolarHBondContact O-N 3.42Å; A24-H27 CarbonylContact O-C 3.32Å; A24-H27 PolarHBondContact O-N 3.46Å; A24-D28 PolarHBondContact O-N 2.97Å; A24-A35 WeakPolarHBondContact O-CB 3.25Å; A24-C38 HydrophobicContact CB-CB 3.57Å; A24-R39 HydrophobicContact CB-CG 3.87Å
25Q94.8Very high95.8Very high116 Ų11654.5 Ų54.554%0.54225%0.251SS..Hα-helixtrans-62.4-39.5179.2-67.8170.9-1700112.6L21 R22 T23 H27 D28L21-Q25 WeakPolarHBondContact O-CG 3.31Å; L21-Q25 PolarHBondContact O-N 3.44Å; L21-Q25 VanDerWaalsContact O-N 3.14Å; R22-Q25 WeakPolarHBondContact O-CB 3.29Å; R22-Q25 PolarHBondContact O-N 3.33Å; R22-Q25 VanDerWaalsContact O-N 3.16Å; T23-Q25 PolarHBondContact O-N 3.39Å; Q25-H27 PolarHBondContact O-N 2.86Å; Q25-D28 WeakPolarHBondContact CA-OD2 3.43Å; Q25-D28 PolarHBondContact O-N 3.1Å
26E93.9Very high95.9Very high90 Ų9050 Ų5042%0.42123%0.231SC..Hα-helixtrans-64.8-23.3175.9-69.4-179.7-179.500112.7R22 T23 A24R22-E26 WeakPolarHBondContact O-CG 3.31Å; R22-E26 PolarHBondContact O-N 2.99Å; T23-E26 PolarHBondContact O-N 2.63Å; A24-E26 VanDerWaalsContact C-N 3.34Å; A24-E26 PolarHBondContact O-N 3.42Å
27H95.4Very high96Very high4 Ų446.8 Ų46.82%0.01921%0.208CC..Hα-helixtrans-99.9-7.6-179.3-6879.4000113.9T23 A24 Q25 K29 R30 D31 V34 A35 Y93T23-H27 PolarHBondContact O-N 3.26Å; T23-H27 PolarHBondContact O-ND1 3.33Å; A24-H27 CarbonylContact O-C 3.32Å; A24-H27 PolarHBondContact O-N 3.46Å; Q25-H27 PolarHBondContact O-N 2.86Å; H27-K29 PolarHBondContact O-N 3.13Å; H27-R30 PolarHBondContact O-N 3.49Å; H27-D31 CarbonylContact O-C 3.56Å; H27-D31 PolarHBondContact O-N 3.49Å; H27-D31 VanDerWaalsContact O-O 3.06Å; H27-V34 HydrophobicContact CB-CB 4.26Å; H27-V34 HydrophobicContact CB-CG1 4.12Å; H27-A35 HydrophobicContact CB-CB 4.01Å; H27-Y93 AromaticContact CD2-CE1 3.81Å; H27-Y93 AromaticContact CD2-CZ 3.83Å; H27-Y93 PolarHBondContact CD2-OH 3.38Å; H27-Y93 VanDerWaalsContact CD2-OH 3.32Å; H27-Y93 AromaticContact NE2-CE1 3.31Å; H27-Y93 VanDerWaalsContact NE2-CE1 3.31Å; H27-Y93 WeakPolarHBondContact NE2-CE1 3.32Å; H27-Y93 AromaticContact NE2-CZ 3.44Å; H27-Y93 PolarHBondContact NE2-OH 3.32Å
28D93.4Very high96.1Very high48 Ų4846.7 Ų46.726%0.25721%0.207SC..THydrogen-bonded Turntrans-50.2-34.2-177.5-82.6-25.2000114.3A24 Q25 R39A24-D28 PolarHBondContact O-N 2.97Å; Q25-D28 WeakPolarHBondContact CA-OD2 3.43Å; Q25-D28 PolarHBondContact O-N 3.1Å; D28-R39 IonicContact OD1-CZ 3.58Å; D28-R39 IonicContact OD1-NH1 2.72Å; D28-R39 PolarHBondContact OD1-NH1 3.03Å; D28-R39 IonicContact OD1-NH2 3.92Å; D28-R39 PolarHBondContact OD1-NH2 3.13Å; D28-R39 IonicContact OD2-CZ 3.91Å; D28-R39 IonicContact OD2-NH2 3.76Å; D28-R39 PolarHBondContact OD2-NH2 2.94Å
29K92.6Very high96.2Very high196 Ų19643.5 Ų43.585%0.85219%0.192SC*.THydrogen-bonded Turntrans-103.5-28.8176.1-65.3-176.7-178.5177.60114.1H27H27-K29 PolarHBondContact O-N 3.13Å
30R94.3Very high96.2Very high184 Ų18442.3 Ų42.369%0.69419%0.188SC*.THydrogen-bonded Turntrans-80.3-45.6-173.9-66.5-178-176.6144.80.2111.4H27H27-R30 PolarHBondContact O-N 3.49Å
31D95.6Very high96.3Very high23 Ų2343.3 Ų43.312%0.12319%0.191CC..  trans-15291.6-178.6-167.1-38.9000109.5H27 V33 V34 A35 H89H27-D31 CarbonylContact O-C 3.56Å; H27-D31 PolarHBondContact O-N 3.49Å; H27-D31 VanDerWaalsContact O-O 3.06Å; D31-V33 PolarHBondContact O-N 2.91Å; D31-V33 WeakPolarHBondContact OD1-CB 3.47Å; D31-V33 PolarHBondContact OD1-N 3.42Å; D31-V34 HydrophobicContact CB-CB 4.11Å; D31-V34 HydrophobicContact CB-CG2 4.04Å; D31-V34 PolarHBondContact O-N 3.47Å; D31-V34 PolarHBondContact OD1-N 2.92Å; D31-V34 VanDerWaalsContact OD1-N 3.09Å; D31-A35 PolarHBondContact O-N 3.43Å; D31-H89 IonicContact OD1-NE2 2.92Å; D31-H89 PolarHBondContact OD1-NE2 3.27Å; D31-H89 IonicContact OD2-CD2 3.19Å; D31-H89 IonicContact OD2-CE1 3.55Å; D31-H89 PolarHBondContact OD2-CE1 3.36Å; D31-H89 IonicContact OD2-NE2 3.95Å; D31-H89 PolarHBondContact OD2-NE2 2.91Å
32P96.1Very high96.3Very high24 Ų2442.7 Ų42.716%0.15619%0.188CC..Hα-helixtrans-61.1-23.1-179.8-25.935.9000114.1M1 Y36 L74M1-P32 HydrophobicContact CE-CG 4.32Å; P32-Y36 WeakPolarHBondContact O-CB 3.38Å; P32-Y36 PolarHBondContact O-N 3.37Å; P32-L74 HydrophobicContact CB-CD1 3.78Å; P32-L74 HydrophobicContact CB-CD2 3.84Å; P32-L74 HydrophobicContact CB-CG 4.38Å
33V96.8Very high96.4Very high5 Ų538.9 Ų38.93%0.0318%0.175CC..Hα-helixtrans-71.2-49178177.40000109.4D31 A35 Y36 Y37 N77 A79 I80 L90D31-V33 PolarHBondContact O-N 2.91Å; D31-V33 WeakPolarHBondContact OD1-CB 3.47Å; D31-V33 PolarHBondContact OD1-N 3.42Å; V33-A35 VanDerWaalsContact C-N 3.28Å; V33-A35 PolarHBondContact O-N 2.98Å; V33-Y36 WeakPolarHBondContact O-CB 3.47Å; V33-Y36 PolarHBondContact O-N 3.35Å; V33-Y37 HydrophobicContact CG1-CD2 3.79Å; V33-Y37 HydrophobicContact CG1-CE2 3.7Å; V33-Y37 VanDerWaalsContact O-CD2 3.25Å; V33-Y37 WeakPolarHBondContact O-CD2 3.37Å; V33-Y37 PolarHBondContact O-N 3.3Å; V33-N77 WeakPolarHBondContact CG2-ND2 3.48Å; V33-A79 HydrophobicContact CG1-CB 3.71Å; V33-A79 HydrophobicContact CG2-CB 4.14Å; V33-I80 HydrophobicContact CG1-CD1 4.22Å; V33-I80 HydrophobicContact CG2-CD1 4.42Å; V33-I80 HydrophobicContact CG2-CG1 4.44Å; V33-L90 HydrophobicContact CG1-CD1 4.48Å
34V97.3Very high96.5Very high0 Ų042.1 Ų42.10%019%0.19CC..Hα-helixtrans-58.1-44.5173.2174.20000110.5H27 D31 Y36 Y37 C38 L90 Y93 L124H27-V34 HydrophobicContact CB-CB 4.26Å; H27-V34 HydrophobicContact CB-CG1 4.12Å; D31-V34 HydrophobicContact CB-CB 4.11Å; D31-V34 HydrophobicContact CB-CG2 4.04Å; D31-V34 PolarHBondContact O-N 3.47Å; D31-V34 PolarHBondContact OD1-N 2.92Å; D31-V34 VanDerWaalsContact OD1-N 3.09Å; V34-Y36 VanDerWaalsContact C-N 3.3Å; V34-Y36 PolarHBondContact O-N 3.07Å; V34-Y37 PolarHBondContact O-N 3Å; V34-C38 WeakPolarHBondContact O-CB 3.33Å; V34-C38 PolarHBondContact O-N 3.36Å; V34-C38 PolarHBondContact O-SG 3.28Å; V34-L90 HydrophobicContact CG2-CD1 4.28Å; V34-Y93 HydrophobicContact CG1-CE1 4.47Å; V34-Y93 HydrophobicContact CG2-CD1 3.87Å; V34-Y93 HydrophobicContact CG2-CE1 4.27Å; V34-Y93 HydrophobicContact CG2-CG 4.21Å; V34-L124 HydrophobicContact CG1-CD2 3.6Å
35A97.3Very high96.5Very high0 Ų043.4 Ų43.40%020%0.197CC..Hα-helixtrans-61-37178.500000113.2A24 H27 D31 V33 R39A24-A35 WeakPolarHBondContact O-CB 3.25Å; H27-A35 HydrophobicContact CB-CB 4.01Å; D31-A35 PolarHBondContact O-N 3.43Å; V33-A35 VanDerWaalsContact C-N 3.28Å; V33-A35 PolarHBondContact O-N 2.98Å; A35-R39 WeakPolarHBondContact O-CG 3.42Å; A35-R39 PolarHBondContact O-N 3.03Å; A35-R39 PolarHBondContact O-NH1 3.19Å; A35-R39 VanDerWaalsContact O-NH1 3.12Å
36Y97.8Very high96.6Very high19 Ų1937.9 Ų37.98%0.07517%0.172CC..Hα-helixtrans-65.9-50.6174.5170.1-97.6000111.3P32 V33 V34 C38 R39 L40 L67 L70 K71 I80P32-Y36 WeakPolarHBondContact O-CB 3.38Å; P32-Y36 PolarHBondContact O-N 3.37Å; V33-Y36 WeakPolarHBondContact O-CB 3.47Å; V33-Y36 PolarHBondContact O-N 3.35Å; V34-Y36 VanDerWaalsContact C-N 3.3Å; V34-Y36 PolarHBondContact O-N 3.07Å; Y36-C38 PolarHBondContact O-N 2.93Å; Y36-R39 WeakPolarHBondContact O-CB 3.13Å; Y36-R39 PolarHBondContact O-N 3.35Å; Y36-R39 VanDerWaalsContact O-N 3.16Å; Y36-L40 HydrophobicContact CE1-CD2 4.24Å; Y36-L40 PolarHBondContact O-N 3.01Å; Y36-L67 HydrophobicContact CD2-CD2 3.7Å; Y36-L67 HydrophobicContact CE2-CD2 3.69Å; Y36-L67 HydrophobicContact CG-CD2 4.49Å; Y36-L70 HydrophobicContact CD2-CB 4.03Å; Y36-K71 HydrophobicContact CE2-CB 3.91Å; Y36-K71 HydrophobicContact CE2-CG 4.46Å; Y36-I80 HydrophobicContact CD1-CD1 3.36Å; Y36-I80 HydrophobicContact CE1-CD1 3.9Å; Y36-I80 HydrophobicContact CG-CD1 3.76Å
37Y98.3Very high96.8Very high6 Ų638.5 Ų38.52%0.02418%0.176CC..Hα-helixtrans-68.5-35.8-177.2-76.6-66.8000113.4V33 V34 R39 L40 Y41 A79 I80 L90 V127 V130 F131V33-Y37 HydrophobicContact CG1-CD2 3.79Å; V33-Y37 HydrophobicContact CG1-CE2 3.7Å; V33-Y37 VanDerWaalsContact O-CD2 3.25Å; V33-Y37 WeakPolarHBondContact O-CD2 3.37Å; V33-Y37 PolarHBondContact O-N 3.3Å; V34-Y37 PolarHBondContact O-N 3Å; Y37-R39 VanDerWaalsContact C-N 3.29Å; Y37-R39 PolarHBondContact O-N 3.1Å; Y37-L40 HydrophobicContact CD1-CD2 3.91Å; Y37-L40 HydrophobicContact CE1-CD2 4.05Å; Y37-L40 WeakPolarHBondContact O-CB 3.4Å; Y37-L40 PolarHBondContact O-N 3.11Å; Y37-L40 VanDerWaalsContact O-N 3.15Å; Y37-Y41 PolarHBondContact O-N 3.41Å; Y37-A79 VanDerWaalsContact CE2-O 3.27Å; Y37-A79 WeakPolarHBondContact CE2-O 3.43Å; Y37-A79 PolarHBondContact OH-O 3.16Å; Y37-I80 HydrophobicContact CE2-CD1 4.13Å; Y37-L90 HydrophobicContact CD2-CD1 3.51Å; Y37-L90 HydrophobicContact CD2-CD2 4.45Å; Y37-L90 HydrophobicContact CE2-CD1 4.33Å; Y37-L90 HydrophobicContact CG-CD1 4.02Å; Y37-L90 HydrophobicContact CG-CD2 4.11Å; Y37-V127 VanDerWaalsContact C-CG1 3.47Å; Y37-V127 WeakPolarHBondContact O-CG1 3.35Å; Y37-V130 HydrophobicContact CD1-CG2 4.23Å; Y37-F131 AromaticContact CD1-CE1 4Å; Y37-F131 HydrophobicContact CD1-CE1 4Å; Y37-F131 HydrophobicContact CD1-CE2 4.19Å; Y37-F131 AromaticContact CD1-CZ 3.41Å; Y37-F131 HydrophobicContact CD1-CZ 3.41Å; Y37-F131 VanDerWaalsContact CD1-CZ 3.41Å; Y37-F131 HydrophobicContact CD2-CZ 4.19Å; Y37-F131 AromaticContact CE1-CE1 3.36Å; Y37-F131 HydrophobicContact CE1-CE1 3.36Å; Y37-F131 HydrophobicContact CE1-CE2 4.34Å; Y37-F131 AromaticContact CE1-CZ 3.2Å; Y37-F131 HydrophobicContact CE1-CZ 3.2Å; Y37-F131 AromaticContact CE2-CZ 3.99Å; Y37-F131 HydrophobicContact CE2-CZ 3.99Å; Y37-F131 AromaticContact CG-CZ 3.92Å; Y37-F131 HydrophobicContact CG-CZ 3.92Å; Y37-F131 AromaticContact CZ-CE1 3.71Å; Y37-F131 AromaticContact CZ-CZ 3.5Å
38C98.2Very high96.8Very high0 Ų046.7 Ų46.70%021%0.211CC..Hα-helixtrans-59.1-40.4171.5-700000112A24 V34 Y36 A42 V127A24-C38 HydrophobicContact CB-CB 3.57Å; V34-C38 WeakPolarHBondContact O-CB 3.33Å; V34-C38 PolarHBondContact O-N 3.36Å; V34-C38 PolarHBondContact O-SG 3.28Å; Y36-C38 PolarHBondContact O-N 2.93Å; C38-A42 WeakPolarHBondContact O-CB 3.34Å; C38-A42 PolarHBondContact O-N 2.87Å; C38-V127 HydrophobicContact CB-CG2 4.4Å
39R98.1Very high97Very high5 Ų547.9 Ų47.92%0.01922%0.217CC..Hα-helixtrans-69.9-36.6174.7-74.5-179179.585.4-4112.1L21 A24 D28 A35 Y36 Y37 A42 M43 L63 L67L21-R39 HydrophobicContact CD2-CG 4.48Å; A24-R39 HydrophobicContact CB-CG 3.87Å; D28-R39 IonicContact OD1-CZ 3.58Å; D28-R39 IonicContact OD1-NH1 2.72Å; D28-R39 PolarHBondContact OD1-NH1 3.03Å; D28-R39 IonicContact OD1-NH2 3.92Å; D28-R39 PolarHBondContact OD1-NH2 3.13Å; D28-R39 IonicContact OD2-CZ 3.91Å; D28-R39 IonicContact OD2-NH2 3.76Å; D28-R39 PolarHBondContact OD2-NH2 2.94Å; A35-R39 WeakPolarHBondContact O-CG 3.42Å; A35-R39 PolarHBondContact O-N 3.03Å; A35-R39 PolarHBondContact O-NH1 3.19Å; A35-R39 VanDerWaalsContact O-NH1 3.12Å; Y36-R39 WeakPolarHBondContact O-CB 3.13Å; Y36-R39 PolarHBondContact O-N 3.35Å; Y36-R39 VanDerWaalsContact O-N 3.16Å; Y37-R39 VanDerWaalsContact C-N 3.29Å; Y37-R39 PolarHBondContact O-N 3.1Å; R39-A42 PolarHBondContact O-N 3.34Å; R39-M43 WeakPolarHBondContact O-CB 3.43Å; R39-M43 PolarHBondContact O-N 3.05Å; R39-L63 HydrophobicContact CB-CD1 3.97Å; R39-L63 HydrophobicContact CG-CD1 3.91Å; R39-L67 HydrophobicContact CB-CD2 3.66Å; R39-L67 HydrophobicContact CB-CG 4.09Å
40L97.9Very high97.2Very high39 Ų3939.9 Ų39.920%0.20418%0.184CC..Hα-helixtrans-63.8-45.5177.6-175.562.8000110.7Y36 Y37 M43 Q44 L67Y36-L40 HydrophobicContact CE1-CD2 4.24Å; Y36-L40 PolarHBondContact O-N 3.01Å; Y37-L40 HydrophobicContact CD1-CD2 3.91Å; Y37-L40 HydrophobicContact CE1-CD2 4.05Å; Y37-L40 WeakPolarHBondContact O-CB 3.4Å; Y37-L40 PolarHBondContact O-N 3.11Å; Y37-L40 VanDerWaalsContact O-N 3.15Å; L40-M43 PolarHBondContact O-N 2.92Å; L40-Q44 WeakPolarHBondContact O-CG 3.38Å; L40-Q44 PolarHBondContact O-N 3.4Å; L40-L67 HydrophobicContact CB-CD2 4.18Å; L40-L67 HydrophobicContact CD1-CD1 4.41Å
41Y98.4Very high97.2Very high30 Ų3033.8 Ų33.812%0.11817%0.169CC..Hα-helixtrans-58.3-48.4172.5172.4-94000111.9I17 H20 Y37 M43 Q44 T45 D126 V127 V130I17-Y41 HydrophobicContact CG2-CE1 4.43Å; H20-Y41 HydrophobicContact CB-CD1 4.06Å; H20-Y41 HydrophobicContact CB-CE1 4.3Å; H20-Y41 AromaticContact CD2-CD1 3.72Å; H20-Y41 AromaticContact CD2-CE1 3.35Å; H20-Y41 WeakPolarHBondContact CD2-CE1 3.34Å; H20-Y41 AromaticContact CE1-CE1 3.86Å; H20-Y41 AromaticContact CG-CD1 3.88Å; H20-Y41 AromaticContact CG-CE1 3.63Å; H20-Y41 AromaticContact ND1-CE1 3.97Å; H20-Y41 AromaticContact NE2-CE1 3.51Å; Y37-Y41 PolarHBondContact O-N 3.41Å; Y41-M43 VanDerWaalsContact C-N 3.29Å; Y41-M43 PolarHBondContact O-N 3.24Å; Y41-Q44 PolarHBondContact O-N 2.9Å; Y41-T45 VanDerWaalsContact O-CB 3.26Å; Y41-T45 WeakPolarHBondContact O-CB 3.26Å; Y41-T45 PolarHBondContact O-N 3.33Å; Y41-T45 PolarHBondContact O-OG1 3.14Å; Y41-D126 VanDerWaalsContact CD2-O 3.29Å; Y41-D126 WeakPolarHBondContact CD2-O 3.33Å; Y41-D126 HydrophobicContact CE2-CB 4.33Å; Y41-D126 WeakPolarHBondContact CE2-O 3.42Å; Y41-V127 HydrophobicContact CD1-CG2 4.15Å; Y41-V127 HydrophobicContact CG-CB 4.4Å; Y41-V127 HydrophobicContact CG-CG2 4.01Å; Y41-V130 VanDerWaalsContact CA-CG1 3.45Å; Y41-V130 HydrophobicContact CD2-CG1 3.93Å; Y41-V130 HydrophobicContact CG-CG1 4.27Å
42A98Very high97.1Very high0 Ų041.4 Ų41.40%020%0.201CC..Hα-helixtrans-61.2-38.1178.700000112I17 L21 C38 R39 G46 L63I17-A42 HydrophobicContact CB-CB 4.36Å; I17-A42 HydrophobicContact CD1-CB 4.15Å; I17-A42 WeakPolarHBondContact CD1-O 3.35Å; L21-A42 HydrophobicContact CD1-CB 4.44Å; L21-A42 HydrophobicContact CD2-CB 3.51Å; L21-A42 HydrophobicContact CG-CB 3.74Å; C38-A42 WeakPolarHBondContact O-CB 3.34Å; C38-A42 PolarHBondContact O-N 2.87Å; R39-A42 PolarHBondContact O-N 3.34Å; A42-G46 WeakPolarHBondContact O-CA 3.44Å; A42-G46 PolarHBondContact O-N 3.22Å; A42-L63 HydrophobicContact CB-CD2 4.24Å
43M97.9Very high97.1Very high22 Ų2242.6 Ų42.611%0.10821%0.208CC..Hα-helixtrans-66-51.5175.8-176.464.6-177.700111.5R39 L40 Y41 T45 G46 M47 L60 L63 M64 L67R39-M43 WeakPolarHBondContact O-CB 3.43Å; R39-M43 PolarHBondContact O-N 3.05Å; L40-M43 PolarHBondContact O-N 2.92Å; Y41-M43 VanDerWaalsContact C-N 3.29Å; Y41-M43 PolarHBondContact O-N 3.24Å; M43-T45 VanDerWaalsContact C-N 3.34Å; M43-T45 PolarHBondContact O-N 3.41Å; M43-G46 PolarHBondContact O-N 2.96Å; M43-M47 HydrophobicContact CE-CG 4.15Å; M43-M47 HydrophobicContact CE-SD 3.8Å; M43-M47 HydrophobicContact CG-SD 4.45Å; M43-M47 WeakPolarHBondContact O-CB 3.37Å; M43-M47 VanDerWaalsContact O-CG 3.3Å; M43-M47 WeakPolarHBondContact O-CG 3.43Å; M43-M47 PolarHBondContact O-N 3.11Å; M43-L60 HydrophobicContact CE-CB 4.09Å; M43-L60 HydrophobicContact SD-CB 3.96Å; M43-L60 HydrophobicContact SD-CD2 3.7Å; M43-L60 HydrophobicContact SD-CG 4.4Å; M43-L63 HydrophobicContact CB-CD2 3.89Å; M43-L63 HydrophobicContact CB-CG 4.33Å; M43-L63 HydrophobicContact SD-CB 4.34Å; M43-L63 HydrophobicContact SD-CD2 4.17Å; M43-L63 HydrophobicContact SD-CG 4.33Å; M43-M64 HydrophobicContact CE-CB 4.02Å; M43-M64 HydrophobicContact CE-CG 4.46Å; M43-M64 HydrophobicContact CE-SD 4.11Å; M43-L67 HydrophobicContact CB-CD1 3.72Å; M43-L67 HydrophobicContact CG-CD1 4.01Å
44Q97.4Very high97Very high73 Ų7347.5 Ų47.534%0.34124%0.24SC..Hα-helixtrans-60.6-44.3178.9-70.7-177.411.800111.7L40 Y41 M47 K48L40-Q44 WeakPolarHBondContact O-CG 3.38Å; L40-Q44 PolarHBondContact O-N 3.4Å; Y41-Q44 PolarHBondContact O-N 2.9Å; Q44-M47 PolarHBondContact O-N 3.05Å; Q44-K48 WeakPolarHBondContact O-CG 3.36Å; Q44-K48 PolarHBondContact O-N 3.15Å
45T97.5Very high97Very high27 Ų2752.8 Ų52.817%0.16627%0.265CS..Hα-helixtrans-69.1-43.5179.6-56.40000111.1I17 Y41 M43 M47 K48 I49I17-T45 HydrophobicContact CG2-CG2 3.5Å; I17-T45 VanDerWaalsContact CG2-CG2 3.5Å; Y41-T45 VanDerWaalsContact O-CB 3.26Å; Y41-T45 WeakPolarHBondContact O-CB 3.26Å; Y41-T45 PolarHBondContact O-N 3.33Å; Y41-T45 PolarHBondContact O-OG1 3.14Å; M43-T45 VanDerWaalsContact C-N 3.34Å; M43-T45 PolarHBondContact O-N 3.41Å; T45-M47 VanDerWaalsContact C-N 3.32Å; T45-M47 PolarHBondContact O-N 3.01Å; T45-K48 WeakPolarHBondContact O-CB 3.24Å; T45-K48 PolarHBondContact O-N 2.96Å; T45-K48 VanDerWaalsContact O-N 3.09Å; T45-I49 HydrophobicContact CG2-CD1 3.99Å; T45-I49 WeakPolarHBondContact O-CG1 3.35Å; T45-I49 PolarHBondContact O-N 3.45Å
46G97.3Very high96.9Very high0 Ų052.8 Ų52.80%027%0.265CS..Hα-helixtrans-61.2-3917600000112.9F14 A42 M43 K48 I49 D50F14-G46 VanDerWaalsContact CE1-O 3.29Å; F14-G46 WeakPolarHBondContact CE1-O 3.4Å; A42-G46 WeakPolarHBondContact O-CA 3.44Å; A42-G46 PolarHBondContact O-N 3.22Å; M43-G46 PolarHBondContact O-N 2.96Å; G46-K48 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 2.94Å; G46-I49 PolarHBondContact O-N 3.41Å; G46-D50 PolarHBondContact O-N 3.38Å
47M96.8Very high96.8Very high104 Ų10460.3 Ų60.351%0.51229%0.293SS..Hα-helixtrans-63.4-34.8173-74.1-179.271.500113.1M43 Q44 T45 L60M43-M47 HydrophobicContact CE-CG 4.15Å; M43-M47 HydrophobicContact CE-SD 3.8Å; M43-M47 HydrophobicContact CG-SD 4.45Å; M43-M47 WeakPolarHBondContact O-CB 3.37Å; M43-M47 VanDerWaalsContact O-CG 3.3Å; M43-M47 WeakPolarHBondContact O-CG 3.43Å; M43-M47 PolarHBondContact O-N 3.11Å; Q44-M47 PolarHBondContact O-N 3.05Å; T45-M47 VanDerWaalsContact C-N 3.32Å; T45-M47 PolarHBondContact O-N 3.01Å; M47-L60 HydrophobicContact CG-CD1 4.05Å
48K96.8Very high96.7Very high175 Ų17567 Ų6776%0.76132%0.322SS*.Hα-helixtrans-70.9-34.3175-70.4173.9-177.3178.10112.3Q44 T45 G46Q44-K48 WeakPolarHBondContact O-CG 3.36Å; Q44-K48 PolarHBondContact O-N 3.15Å; T45-K48 WeakPolarHBondContact O-CB 3.24Å; T45-K48 PolarHBondContact O-N 2.96Å; T45-K48 VanDerWaalsContact O-N 3.09Å; G46-K48 VanDerWaalsContact C-N 3.32Å; G46-K48 PolarHBondContact O-N 2.94Å
49I97Very high96.7Very high74 Ų7467.1 Ų67.138%0.37932%0.323SS..Hα-helixtrans-73.3-60.7179.4-66164.6000110.8Q13 F14 S16 T45 G46Q13-I49 HydrophobicContact CB-CG2 4.23Å; F14-I49 HydrophobicContact CD1-CB 4.29Å; F14-I49 HydrophobicContact CD1-CD1 4.38Å; F14-I49 HydrophobicContact CD1-CG2 4.12Å; F14-I49 HydrophobicContact CE1-CB 4.13Å; F14-I49 HydrophobicContact CE1-CG2 4.16Å; S16-I49 WeakPolarHBondContact OG-CD1 3.44Å; T45-I49 HydrophobicContact CG2-CD1 3.99Å; T45-I49 WeakPolarHBondContact O-CG1 3.35Å; T45-I49 PolarHBondContact O-N 3.45Å; G46-I49 PolarHBondContact O-N 3.41Å
50D95.9Very high96.7Very high27 Ų2767.3 Ų67.314%0.14432%0.324CS..  trans-160.1108.3-177.6-174.3-7.7000111.4F14 G46 K52 T53 C56F14-D50 HydrophobicContact CE1-CB 4.33Å; F14-D50 WeakPolarHBondContact CZ-O 3.44Å; G46-D50 PolarHBondContact O-N 3.38Å; D50-K52 PolarHBondContact OD1-N 3.33Å; D50-T53 PolarHBondContact OD1-N 3.42Å; D50-T53 PolarHBondContact OD1-OG1 2.93Å; D50-T53 WeakPolarHBondContact OD2-CB 3.4Å; D50-T53 PolarHBondContact OD2-OG1 3.48Å; D50-C56 HydrophobicContact CB-CB 4.35Å; D50-C56 WeakPolarHBondContact O-CB 3.36Å
51S94.1Very high96.6Very high57 Ų5768.5 Ų68.540%0.39934%0.336SS..SBendtrans-106.76174.873.70000113.6
52K93.8Very high96.5Very high183 Ų18371.4 Ų71.480%0.79635%0.349SS*.SBendtrans-109-40.2-168.6-62.7-179.7-175.8174.20111.8D50D50-K52 PolarHBondContact OD1-N 3.33Å
53T96.3Very high96.4Very high49 Ų4971.4 Ų71.430%0.30135%0.349SS..SBendtrans-60.6132.9179.7-62.50000110.1D50 E55 C56 R57D50-T53 PolarHBondContact OD1-N 3.42Å; D50-T53 PolarHBondContact OD1-OG1 2.93Å; D50-T53 WeakPolarHBondContact OD2-CB 3.4Å; D50-T53 PolarHBondContact OD2-OG1 3.48Å; T53-E55 VanDerWaalsContact C-N 3.28Å; T53-E55 HydrophobicContact CG2-CB 4.48Å; T53-E55 PolarHBondContact O-N 3.43Å; T53-C56 PolarHBondContact O-N 3.04Å; T53-R57 WeakPolarHBondContact O-CB 3.34Å; T53-R57 PolarHBondContact O-N 3.34Å
54P96.1Very high96.4Very high108 Ų10874 Ų7470%0.70136%0.362SS*.Hα-helixtrans-56.1-38.3-174.5-28.235000114.4K58P54-K58 WeakPolarHBondContact O-CB 3.32Å; P54-K58 PolarHBondContact O-N 3.39Å
55E95.5Very high96.3Very high110 Ų11073.8 Ų73.851%0.51436%0.363SS..Hα-helixtrans-66.6-50.1177.6-167.1-177.4179.600111.7P11 T53 R57 K58 F59P11-E55 HydrophobicContact CB-CG 4.46Å; P11-E55 HydrophobicContact CG-CG 4.16Å; T53-E55 VanDerWaalsContact C-N 3.28Å; T53-E55 HydrophobicContact CG2-CB 4.48Å; T53-E55 PolarHBondContact O-N 3.43Å; E55-R57 VanDerWaalsContact C-N 3.34Å; E55-R57 PolarHBondContact O-N 2.89Å; E55-K58 PolarHBondContact O-N 3.23Å; E55-F59 PolarHBondContact O-N 2.99Å
56C96Very high96.2Very high0 Ų073.2 Ų73.20%036%0.358CS..Hα-helixtrans-56.2-46.8174.3-62.50000111.5F14 D50 T53 K58 F59 L60F14-C56 HydrophobicContact CE1-CB 4.38Å; F14-C56 HydrophobicContact CE2-CB 3.95Å; F14-C56 HydrophobicContact CZ-CB 3.6Å; D50-C56 HydrophobicContact CB-CB 4.35Å; D50-C56 WeakPolarHBondContact O-CB 3.36Å; T53-C56 PolarHBondContact O-N 3.04Å; C56-K58 PolarHBondContact O-N 3.29Å; C56-F59 WeakPolarHBondContact O-CB 3.4Å; C56-F59 PolarHBondContact O-N 3.1Å; C56-L60 VanDerWaalsContact O-CG 3.32Å; C56-L60 WeakPolarHBondContact O-CG 3.27Å; C56-L60 PolarHBondContact O-N 2.95Å
57R95.9Very high96.2Very high177 Ų17773.5 Ų73.567%0.66836%0.36SS*.Hα-helixtrans-62.6-41.5178-173.3176.7177.8178.20.4112.2T53 E55 F59 L60 S61T53-R57 WeakPolarHBondContact O-CB 3.34Å; T53-R57 PolarHBondContact O-N 3.34Å; E55-R57 VanDerWaalsContact C-N 3.34Å; E55-R57 PolarHBondContact O-N 2.89Å; R57-F59 VanDerWaalsContact C-N 3.34Å; R57-L60 PolarHBondContact O-N 2.89Å; R57-S61 VanDerWaalsContact O-CB 3.3Å; R57-S61 WeakPolarHBondContact O-CB 3.36Å; R57-S61 PolarHBondContact O-N 3.39Å
58K96.1Very high96.1Very high146 Ų14673.9 Ų73.964%0.63536%0.36SS*.Hα-helixtrans-64.1-40.9176.7-172.5176.4-178.2179.10111.3P54 E55 C56 K62P54-K58 WeakPolarHBondContact O-CB 3.32Å; P54-K58 PolarHBondContact O-N 3.39Å; E55-K58 PolarHBondContact O-N 3.23Å; C56-K58 PolarHBondContact O-N 3.29Å; K58-K62 PolarHBondContact O-N 3.43Å
59F97.7Very high96Very high4 Ų467.7 Ų67.72%0.01834%0.342CS..Hα-helixtrans-63.1-52.4174.7-176.9-87.3000111.7L7 P8 L10 P11 F14 L21 E55 C56 R57 S61 K62 L63L7-F59 HydrophobicContact CB-CE2 3.93Å; L7-F59 HydrophobicContact CB-CZ 4.42Å; L7-F59 HydrophobicContact CD1-CE2 4.2Å; L7-F59 HydrophobicContact CD1-CZ 3.83Å; P8-F59 HydrophobicContact CB-CD2 4.31Å; P8-F59 WeakPolarHBondContact O-CE2 3.47Å; L10-F59 HydrophobicContact CD1-CE1 3.88Å; L10-F59 HydrophobicContact CD1-CE2 3.79Å; L10-F59 HydrophobicContact CD1-CZ 3.43Å; L10-F59 VanDerWaalsContact CD1-CZ 3.43Å; P11-F59 HydrophobicContact CG-CB 3.94Å; P11-F59 HydrophobicContact CG-CG 4.25Å; F14-F59 AromaticContact CD2-CD1 3.74Å; F14-F59 HydrophobicContact CD2-CD1 3.74Å; F14-F59 HydrophobicContact CD2-CE1 4.19Å; F14-F59 HydrophobicContact CD2-CG 4.34Å; F14-F59 HydrophobicContact CE2-CB 4.4Å; F14-F59 AromaticContact CE2-CD1 3.83Å; F14-F59 HydrophobicContact CE2-CD1 3.83Å; F14-F59 HydrophobicContact CE2-CG 4.41Å; L21-F59 HydrophobicContact CD1-CE1 4.09Å; L21-F59 HydrophobicContact CD1-CZ 3.7Å; E55-F59 PolarHBondContact O-N 2.99Å; C56-F59 WeakPolarHBondContact O-CB 3.4Å; C56-F59 PolarHBondContact O-N 3.1Å; R57-F59 VanDerWaalsContact C-N 3.34Å; F59-S61 VanDerWaalsContact C-N 3.31Å; F59-S61 PolarHBondContact O-N 2.88Å; F59-K62 PolarHBondContact O-N 3.27Å; F59-K62 VanDerWaalsContact O-N 3.11Å; F59-L63 HydrophobicContact CE1-CD2 4.25Å; F59-L63 PolarHBondContact O-N 3.14Å
60L97.4Very high95.8Very high8 Ų864.5 Ų64.54%0.04233%0.326CS..Hα-helixtrans-61.1-38179.5-68174.6000112.2F14 M43 M47 C56 R57 K62 L63 M64F14-L60 HydrophobicContact CE2-CD1 4.39Å; F14-L60 HydrophobicContact CE2-CD2 3.96Å; F14-L60 HydrophobicContact CE2-CG 3.86Å; F14-L60 HydrophobicContact CZ-CD1 3.88Å; F14-L60 HydrophobicContact CZ-CD2 4.03Å; F14-L60 HydrophobicContact CZ-CG 3.86Å; M43-L60 HydrophobicContact CE-CB 4.09Å; M43-L60 HydrophobicContact SD-CB 3.96Å; M43-L60 HydrophobicContact SD-CD2 3.7Å; M43-L60 HydrophobicContact SD-CG 4.4Å; M47-L60 HydrophobicContact CG-CD1 4.05Å; C56-L60 VanDerWaalsContact O-CG 3.32Å; C56-L60 WeakPolarHBondContact O-CG 3.27Å; C56-L60 PolarHBondContact O-N 2.95Å; R57-L60 PolarHBondContact O-N 2.89Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.27Å; L60-L63 PolarHBondContact O-N 3.01Å; L60-M64 WeakPolarHBondContact O-CB 3.34Å; L60-M64 PolarHBondContact O-N 3.38Å
61S96.4Very high95.7Very high64 Ų6468.5 Ų68.545%0.44834%0.342SS..Hα-helixtrans-59.8-44.6174.2178.60000111.7R57 F59 M64 D65R57-S61 VanDerWaalsContact O-CB 3.3Å; R57-S61 WeakPolarHBondContact O-CB 3.36Å; R57-S61 PolarHBondContact O-N 3.39Å; F59-S61 VanDerWaalsContact C-N 3.31Å; F59-S61 PolarHBondContact O-N 2.88Å; S61-M64 WeakPolarHBondContact O-CB 2.85Å; S61-M64 PolarHBondContact O-N 3.46Å; S61-D65 PolarHBondContact O-N 3.03Å
62K96.4Very high95.7Very high91 Ų9174.6 Ų74.640%0.39636%0.361SS..Hα-helixtrans-69.9-33.8177.6-72.1-74.3153.3-142.80112.7L7 P8 K58 F59 L60 M64 D65 Q66L7-K62 HydrophobicContact CD2-CB 4.09Å; P8-K62 HydrophobicContact CG-CB 4.19Å; P8-K62 HydrophobicContact CG-CG 3.95Å; K58-K62 PolarHBondContact O-N 3.43Å; F59-K62 PolarHBondContact O-N 3.27Å; F59-K62 VanDerWaalsContact O-N 3.11Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.27Å; K62-M64 VanDerWaalsContact C-N 3.33Å; K62-D65 IonicContact NZ-OD2 3.68Å; K62-D65 PolarHBondContact NZ-OD2 3.48Å; K62-D65 PolarHBondContact O-N 3.3Å; K62-Q66 PolarHBondContact O-N 3.28Å; K62-Q66 VanDerWaalsContact O-N 3.16Å
63L97.1Very high95.7Very high0 Ų069.8 Ų69.80%034%0.341CS..Hα-helixtrans-65.6-38173.4-176.559.9000111.6L7 L21 R39 A42 M43 F59 L60 Q66 L67L7-L63 HydrophobicContact CD1-CD1 3.98Å; L7-L63 HydrophobicContact CD2-CB 4.18Å; L7-L63 HydrophobicContact CD2-CD1 4.36Å; L21-L63 HydrophobicContact CD2-CD1 4.03Å; L21-L63 HydrophobicContact CD2-CD2 4.35Å; R39-L63 HydrophobicContact CB-CD1 3.97Å; R39-L63 HydrophobicContact CG-CD1 3.91Å; A42-L63 HydrophobicContact CB-CD2 4.24Å; M43-L63 HydrophobicContact CB-CD2 3.89Å; M43-L63 HydrophobicContact CB-CG 4.33Å; M43-L63 HydrophobicContact SD-CB 4.34Å; M43-L63 HydrophobicContact SD-CD2 4.17Å; M43-L63 HydrophobicContact SD-CG 4.33Å; F59-L63 HydrophobicContact CE1-CD2 4.25Å; F59-L63 PolarHBondContact O-N 3.14Å; L60-L63 PolarHBondContact O-N 3.01Å; L63-Q66 WeakPolarHBondContact O-CB 3.44Å; L63-Q66 PolarHBondContact O-N 2.75Å; L63-L67 PolarHBondContact O-N 3.04Å
64M96.8Very high95.6Very high77 Ų7768.4 Ų68.438%0.37933%0.332SS..Hα-helixtrans-63.7-46.3173.5-166.166.8-175.300111.7M43 L60 S61 K62 Q66 L67 E68M43-M64 HydrophobicContact CE-CB 4.02Å; M43-M64 HydrophobicContact CE-CG 4.46Å; M43-M64 HydrophobicContact CE-SD 4.11Å; L60-M64 WeakPolarHBondContact O-CB 3.34Å; L60-M64 PolarHBondContact O-N 3.38Å; S61-M64 WeakPolarHBondContact O-CB 2.85Å; S61-M64 PolarHBondContact O-N 3.46Å; K62-M64 VanDerWaalsContact C-N 3.33Å; M64-Q66 PolarHBondContact O-N 2.86Å; M64-L67 WeakPolarHBondContact O-CB 3.19Å; M64-L67 PolarHBondContact O-N 3.05Å; M64-E68 HydrophobicContact CE-CG 4.28Å; M64-E68 WeakPolarHBondContact O-CG 3.35Å; M64-E68 PolarHBondContact O-N 3.27Å
65D96.3Very high95.2Very high69 Ų6964.9 Ų64.937%0.36932%0.316SS..Hα-helixtrans-53.7-42.2174.8-62.3-19.7000111.1S61 K62 A69S61-D65 PolarHBondContact O-N 3.03Å; K62-D65 IonicContact NZ-OD2 3.68Å; K62-D65 PolarHBondContact NZ-OD2 3.48Å; K62-D65 PolarHBondContact O-N 3.3Å; D65-A69 WeakPolarHBondContact O-CB 3.25Å; D65-A69 PolarHBondContact O-N 3.19Å; D65-A69 VanDerWaalsContact O-N 3.07Å
66Q95.2Very high95Very high14 Ų1467.8 Ų67.87%0.06534%0.335CS..Hα-helixtrans-66.1-42.3176.2-72.2-167.3-900112.9L4 A5 L7 K62 L63 M64 A69 L70L4-Q66 HydrophobicContact CB-CG 4.18Å; L4-Q66 HydrophobicContact CD1-CB 4.48Å; L4-Q66 HydrophobicContact CD2-CB 4.38Å; L4-Q66 HydrophobicContact CD2-CG 4.49Å; A5-Q66 PolarHBondContact O-NE2 3.05Å; L7-Q66 VanDerWaalsContact CD2-CD 3.49Å; L7-Q66 HydrophobicContact CD2-CG 4.07Å; K62-Q66 PolarHBondContact O-N 3.28Å; K62-Q66 VanDerWaalsContact O-N 3.16Å; L63-Q66 WeakPolarHBondContact O-CB 3.44Å; L63-Q66 PolarHBondContact O-N 2.75Å; M64-Q66 PolarHBondContact O-N 2.86Å; Q66-A69 PolarHBondContact O-N 3.09Å; Q66-L70 WeakPolarHBondContact O-CB 3.46Å; Q66-L70 PolarHBondContact O-N 3.03Å
67L95.8Very high94.9Very high7 Ų770.7 Ų70.74%0.03735%0.35CS..Hα-helixtrans-62.5-44.2178.3-82.3168.5000111.5Y36 R39 L40 M43 L63 M64 L70 K71Y36-L67 HydrophobicContact CD2-CD2 3.7Å; Y36-L67 HydrophobicContact CE2-CD2 3.69Å; Y36-L67 HydrophobicContact CG-CD2 4.49Å; R39-L67 HydrophobicContact CB-CD2 3.66Å; R39-L67 HydrophobicContact CB-CG 4.09Å; L40-L67 HydrophobicContact CB-CD2 4.18Å; L40-L67 HydrophobicContact CD1-CD1 4.41Å; M43-L67 HydrophobicContact CB-CD1 3.72Å; M43-L67 HydrophobicContact CG-CD1 4.01Å; L63-L67 PolarHBondContact O-N 3.04Å; M64-L67 WeakPolarHBondContact O-CB 3.19Å; M64-L67 PolarHBondContact O-N 3.05Å; L67-L70 PolarHBondContact O-N 3.18Å; L67-K71 VanDerWaalsContact O-CB 3.3Å; L67-K71 WeakPolarHBondContact O-CB 3.27Å; L67-K71 PolarHBondContact O-N 3.05Å
68E95.4Very high94.9Very high111 Ų11167.9 Ų67.952%0.51935%0.345SS..Hα-helixtrans-62.8-43.6176.5-69.7176.7-177.400111.5M64 K71 K72M64-E68 HydrophobicContact CE-CG 4.28Å; M64-E68 WeakPolarHBondContact O-CG 3.35Å; M64-E68 PolarHBondContact O-N 3.27Å; E68-K71 PolarHBondContact O-N 2.95Å; E68-K72 WeakPolarHBondContact O-CB 3.34Å; E68-K72 PolarHBondContact O-N 3.05Å
69A94.3Very high94.9Very high45 Ų4561.2 Ų61.237%0.37232%0.317SS..Hα-helixtrans-62.4-45.2175.800000112.3L4 D65 Q66 K72 Q73L4-A69 HydrophobicContact CD2-CB 3.79Å; D65-A69 WeakPolarHBondContact O-CB 3.25Å; D65-A69 PolarHBondContact O-N 3.19Å; D65-A69 VanDerWaalsContact O-N 3.07Å; Q66-A69 PolarHBondContact O-N 3.09Å; A69-K72 PolarHBondContact O-N 3.36Å; A69-Q73 WeakPolarHBondContact O-CB 3.39Å; A69-Q73 PolarHBondContact O-N 3.45Å
70L92.9Very high94.8Very high7 Ų761.5 Ų61.54%0.03732%0.318CS..Hα-helixtrans-63.2-46.2176.2-83.8168.7000111.8L4 Y36 Q66 L67 K72 Q73 L74L4-L70 HydrophobicContact CD1-CD1 3.64Å; L4-L70 HydrophobicContact CD1-CD2 3.93Å; L4-L70 HydrophobicContact CD1-CG 3.63Å; L4-L70 HydrophobicContact CD2-CG 4.13Å; L4-L70 HydrophobicContact CG-CG 4.43Å; Y36-L70 HydrophobicContact CD2-CB 4.03Å; Q66-L70 WeakPolarHBondContact O-CB 3.46Å; Q66-L70 PolarHBondContact O-N 3.03Å; L67-L70 PolarHBondContact O-N 3.18Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 3.39Å; L70-Q73 PolarHBondContact O-N 2.78Å; L70-Q73 VanDerWaalsContact O-N 3.15Å; L70-L74 WeakPolarHBondContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 2.9Å
71K94.3Very high94.6Very high112 Ų11265.2 Ų65.249%0.48734%0.341SS..Hα-helixtrans-61.3-41.3178.8-169.9174.1-175175.10111.5Y36 L67 E68 L74 G75 I80Y36-K71 HydrophobicContact CE2-CB 3.91Å; Y36-K71 HydrophobicContact CE2-CG 4.46Å; L67-K71 VanDerWaalsContact O-CB 3.3Å; L67-K71 WeakPolarHBondContact O-CB 3.27Å; L67-K71 PolarHBondContact O-N 3.05Å; E68-K71 PolarHBondContact O-N 2.95Å; K71-L74 CarbonylContact O-C 3.6Å; K71-L74 PolarHBondContact O-N 2.77Å; K71-G75 WeakPolarHBondContact O-CA 3.43Å; K71-G75 PolarHBondContact O-N 2.7Å; K71-I80 HydrophobicContact CG-CG2 3.97Å
72K94.8Very high94.5Very high185 Ų18566.5 Ų66.580%0.80434%0.34SS*.Hα-helixtrans-64.1-41.7174.4-176.2177.1-179.9177.80111.9E68 A69 L70 L74 G75E68-K72 WeakPolarHBondContact O-CB 3.34Å; E68-K72 PolarHBondContact O-N 3.05Å; A69-K72 PolarHBondContact O-N 3.36Å; L70-K72 VanDerWaalsContact C-N 3.31Å; L70-K72 PolarHBondContact O-N 3.39Å; K72-L74 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 2.96Å; K72-G75 PolarHBondContact O-N 2.84Å
73Q92.9Very high94.3Very high81 Ų8168.9 Ų68.938%0.37935%0.353SS..Hα-helixtrans-67.4-32.8179-166.4-172.3-75.500112.4M1 A69 L70M1-Q73 PolarHBondContact SD-NE2 2.82Å; A69-Q73 WeakPolarHBondContact O-CB 3.39Å; A69-Q73 PolarHBondContact O-N 3.45Å; L70-Q73 PolarHBondContact O-N 2.78Å; L70-Q73 VanDerWaalsContact O-N 3.15Å
74L93.3Very high94.1Very high20 Ų2075.4 Ų75.411%0.10539%0.386CS..THydrogen-bonded Turntrans-10321.1-178.4-56.9172.8000112.5P32 L70 K71 K72 D76 N77 I80P32-L74 HydrophobicContact CB-CD1 3.78Å; P32-L74 HydrophobicContact CB-CD2 3.84Å; P32-L74 HydrophobicContact CB-CG 4.38Å; L70-L74 WeakPolarHBondContact O-CB 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.49Å; L70-L74 PolarHBondContact O-N 2.9Å; K71-L74 CarbonylContact O-C 3.6Å; K71-L74 PolarHBondContact O-N 2.77Å; K72-L74 VanDerWaalsContact C-N 3.3Å; K72-L74 PolarHBondContact O-N 2.96Å; L74-D76 PolarHBondContact O-N 2.9Å; L74-D76 VanDerWaalsContact O-N 3.13Å; L74-N77 HydrophobicContact CB-CB 4.33Å; L74-N77 VanDerWaalsContact O-CB 3.24Å; L74-N77 WeakPolarHBondContact O-CB 3.27Å; L74-N77 PolarHBondContact O-N 3.38Å; L74-I80 HydrophobicContact CB-CG1 3.77Å; L74-I80 HydrophobicContact CD1-CD1 4.1Å; L74-I80 HydrophobicContact CD1-CG1 4.09Å
75G88.6Confident94.1Very high35 Ų3574 Ų7436%0.36138%0.382SS..THydrogen-bonded Turntrans-60.1-27.3-169.300000115.1K71 K72 T81K71-G75 WeakPolarHBondContact O-CA 3.43Å; K71-G75 PolarHBondContact O-N 2.7Å; K72-G75 PolarHBondContact O-N 2.84Å; G75-T81 WeakPolarHBondContact O-CG2 3.45Å
76D92.3Very high94.1Very high171 Ų17170.7 Ų70.791%0.91436%0.364SS*.THydrogen-bonded Turntrans-92.30.1178.4-57.1-36.9000113.1L74L74-D76 PolarHBondContact O-N 2.9Å; L74-D76 VanDerWaalsContact O-N 3.13Å
77N94Very high94.1Very high61 Ų6171.1 Ų71.133%0.32637%0.369SS..  trans-81.9122.6-179.3-168.3-37000110.4V33 L74 A79 I80 T81V33-N77 WeakPolarHBondContact CG2-ND2 3.48Å; L74-N77 HydrophobicContact CB-CB 4.33Å; L74-N77 VanDerWaalsContact O-CB 3.24Å; L74-N77 WeakPolarHBondContact O-CB 3.27Å; L74-N77 PolarHBondContact O-N 3.38Å; N77-A79 PolarHBondContact O-N 3.23Å; N77-A79 WeakPolarHBondContact OD1-CB 3.45Å; N77-A79 PolarHBondContact OD1-N 3.39Å; N77-I80 HydrophobicContact CB-CB 4.42Å; N77-I80 HydrophobicContact CB-CG1 4.14Å; N77-I80 PolarHBondContact O-N 2.77Å; N77-T81 PolarHBondContact O-N 3.36Å; N77-T81 PolarHBondContact O-OG1 2.95Å
78E95.2Very high94.1Very high118 Ų11872.7 Ų72.755%0.55138%0.382SS*.Hα-helixtrans-54.9-37.9176.9-93.5-164.7151.400112.9I80 T81 Q82 V85E78-I80 PolarHBondContact O-N 3.07Å; E78-I80 VanDerWaalsContact O-N 3.14Å; E78-T81 WeakPolarHBondContact CA-OG1 3.44Å; E78-T81 PolarHBondContact O-N 2.91Å; E78-T81 PolarHBondContact O-OG1 2.99Å; E78-Q82 WeakPolarHBondContact O-CB 3.37Å; E78-Q82 PolarHBondContact O-N 3.03Å; E78-Q82 PolarHBondContact OE1-NE2 2.68Å; E78-Q82 VanDerWaalsContact OE1-NE2 3.13Å; E78-V85 HydrophobicContact CB-CG1 4.26Å
79A95.4Very high94.2Very high5 Ų570.5 Ų70.54%0.04137%0.372CS..Hα-helixtrans-69.7-8.9179.500000113.4V33 Y37 N77 V85 G86 H89V33-A79 HydrophobicContact CG1-CB 3.71Å; V33-A79 HydrophobicContact CG2-CB 4.14Å; Y37-A79 VanDerWaalsContact CE2-O 3.27Å; Y37-A79 WeakPolarHBondContact CE2-O 3.43Å; Y37-A79 PolarHBondContact OH-O 3.16Å; N77-A79 PolarHBondContact O-N 3.23Å; N77-A79 WeakPolarHBondContact OD1-CB 3.45Å; N77-A79 PolarHBondContact OD1-N 3.39Å; A79-V85 HydrophobicContact CB-CG1 4.09Å; A79-G86 WeakPolarHBondContact O-CA 3.33Å; A79-H89 HydrophobicContact CB-CB 4.44Å
80I95.3Very high94.3Very high11 Ų1168.3 Ų68.36%0.05635%0.354CS..Hα-helixtrans-105.6-33.9174.1-61.6-63.8000111.5V33 Y36 Y37 K71 L74 N77 E78V33-I80 HydrophobicContact CG1-CD1 4.22Å; V33-I80 HydrophobicContact CG2-CD1 4.42Å; V33-I80 HydrophobicContact CG2-CG1 4.44Å; Y36-I80 HydrophobicContact CD1-CD1 3.36Å; Y36-I80 HydrophobicContact CE1-CD1 3.9Å; Y36-I80 HydrophobicContact CG-CD1 3.76Å; Y37-I80 HydrophobicContact CE2-CD1 4.13Å; K71-I80 HydrophobicContact CG-CG2 3.97Å; L74-I80 HydrophobicContact CB-CG1 3.77Å; L74-I80 HydrophobicContact CD1-CD1 4.1Å; L74-I80 HydrophobicContact CD1-CG1 4.09Å; N77-I80 HydrophobicContact CB-CB 4.42Å; N77-I80 HydrophobicContact CB-CG1 4.14Å; N77-I80 PolarHBondContact O-N 2.77Å; E78-I80 PolarHBondContact O-N 3.07Å; E78-I80 VanDerWaalsContact O-N 3.14Å
81T93.8Very high94.4Very high85 Ų8570.9 Ų70.952%0.52137%0.366SS..Hα-helixtrans-80.7-30.3-179.553.70000112.5G75 N77 E78G75-T81 WeakPolarHBondContact O-CG2 3.45Å; N77-T81 PolarHBondContact O-N 3.36Å; N77-T81 PolarHBondContact O-OG1 2.95Å; E78-T81 WeakPolarHBondContact CA-OG1 3.44Å; E78-T81 PolarHBondContact O-N 2.91Å; E78-T81 PolarHBondContact O-OG1 2.99Å
82Q93.9Very high94.5Very high91 Ų9170.6 Ų70.643%0.42537%0.37SS..  trans-117.4114.3179.6-59.3-177.147.500110.3E78 I84 V85 G86E78-Q82 WeakPolarHBondContact O-CB 3.37Å; E78-Q82 PolarHBondContact O-N 3.03Å; E78-Q82 PolarHBondContact OE1-NE2 2.68Å; E78-Q82 VanDerWaalsContact OE1-NE2 3.13Å; Q82-I84 VanDerWaalsContact C-N 3.27Å; Q82-I84 PolarHBondContact O-N 3.29Å; Q82-V85 HydrophobicContact CB-CB 4.17Å; Q82-V85 HydrophobicContact CB-CG2 3.81Å; Q82-V85 PolarHBondContact O-N 3.48Å; Q82-V85 VanDerWaalsContact O-N 3.14Å; Q82-G86 PolarHBondContact O-N 2.62Å
83E92.1Very high94.6Very high142 Ų14264.5 Ų64.566%0.66434%0.342SS*.Hα-helixtrans-60.5-35.6-178.7-71.6-175.3171.200113.1V85 G86 C87 F131E83-V85 VanDerWaalsContact C-N 3.32Å; E83-V85 PolarHBondContact O-N 2.96Å; E83-G86 PolarHBondContact O-N 3.23Å; E83-C87 VanDerWaalsContact O-CB 3.32Å; E83-C87 WeakPolarHBondContact O-CB 3.3Å; E83-C87 PolarHBondContact O-N 2.98Å; E83-F131 HydrophobicContact CB-CD1 4.14Å; E83-F131 HydrophobicContact CB-CE1 4.31Å; E83-F131 WeakPolarHBondContact O-CE1 3.48Å
84I93.4Very high94.8Very high136 Ų13660.8 Ų60.870%0.69733%0.325SS*.Hα-helixtrans-62.6-41.2178.1-61.7171.7000110.8Q82 A88Q82-I84 VanDerWaalsContact C-N 3.27Å; Q82-I84 PolarHBondContact O-N 3.29Å; I84-A88 WeakPolarHBondContact O-CB 3.29Å; I84-A88 PolarHBondContact O-N 3.42Å
85V96.4Very high94.9Very high47 Ų4763 Ų6329%0.28534%0.337SS..Hα-helixtrans-70.5-41.8178.3-176.60000110.3E78 A79 Q82 E83 C87 A88 H89E78-V85 HydrophobicContact CB-CG1 4.26Å; A79-V85 HydrophobicContact CB-CG1 4.09Å; Q82-V85 HydrophobicContact CB-CB 4.17Å; Q82-V85 HydrophobicContact CB-CG2 3.81Å; Q82-V85 PolarHBondContact O-N 3.48Å; Q82-V85 VanDerWaalsContact O-N 3.14Å; E83-V85 VanDerWaalsContact C-N 3.32Å; E83-V85 PolarHBondContact O-N 2.96Å; V85-C87 VanDerWaalsContact C-N 3.35Å; V85-C87 PolarHBondContact O-N 3.41Å; V85-A88 PolarHBondContact O-N 2.96Å; V85-H89 WeakPolarHBondContact O-CB 3.31Å; V85-H89 PolarHBondContact O-N 3.29Å
86G96.1Very high95.3Very high0 Ų068.9 Ų68.90%035%0.352CS..Hα-helixtrans-60-42.6174.200000113.1A79 Q82 E83 H89 L90A79-G86 WeakPolarHBondContact O-CA 3.33Å; Q82-G86 PolarHBondContact O-N 2.62Å; E83-G86 PolarHBondContact O-N 3.23Å; G86-H89 PolarHBondContact O-N 3.47Å; G86-L90 WeakPolarHBondContact O-CD1 3.33Å; G86-L90 PolarHBondContact O-N 3.38Å
87C95.3Very high95.4Very high24 Ų2462 Ų6216%0.16232%0.315CS..Hα-helixtrans-61.7-53175.7-172.10000111.2E83 V85 H89 L90 E91 F131E83-C87 VanDerWaalsContact O-CB 3.32Å; E83-C87 WeakPolarHBondContact O-CB 3.3Å; E83-C87 PolarHBondContact O-N 2.98Å; V85-C87 VanDerWaalsContact C-N 3.35Å; V85-C87 PolarHBondContact O-N 3.41Å; C87-H89 VanDerWaalsContact C-N 3.26Å; C87-H89 PolarHBondContact O-N 3.2Å; C87-L90 PolarHBondContact O-N 2.82Å; C87-L90 VanDerWaalsContact O-N 3.1Å; C87-E91 PolarHBondContact O-N 2.95Å; C87-F131 HydrophobicContact CB-CB 4.15Å; C87-F131 HydrophobicContact CB-CD1 3.93Å; C87-F131 HydrophobicContact CB-CD2 3.67Å; C87-F131 HydrophobicContact CB-CE1 4.17Å; C87-F131 HydrophobicContact CB-CE2 3.95Å; C87-F131 HydrophobicContact CB-CG 3.66Å; C87-F131 HydrophobicContact CB-CZ 4.17Å
88A95.9Very high95.6Very high39 Ų3959.7 Ų59.732%0.32230%0.302SS..Hα-helixtrans-59.4-36.8177.700000112.3I84 V85 N92I84-A88 WeakPolarHBondContact O-CB 3.29Å; I84-A88 PolarHBondContact O-N 3.42Å; V85-A88 PolarHBondContact O-N 2.96Å; A88-N92 VanDerWaalsContact O-CB 3.3Å; A88-N92 WeakPolarHBondContact O-CB 3.42Å; A88-N92 VanDerWaalsContact O-CG 3.23Å; A88-N92 PolarHBondContact O-N 3.17Å; A88-N92 PolarHBondContact O-ND2 3.08Å
89H97.5Very high95.6Very high65 Ų6557.9 Ų57.930%0.30130%0.296SS..Hα-helixtrans-61.4-47.4175.2-172.882.9000111.5D31 A79 V85 G86 C87 Y93D31-H89 IonicContact OD1-NE2 2.92Å; D31-H89 PolarHBondContact OD1-NE2 3.27Å; D31-H89 IonicContact OD2-CD2 3.19Å; D31-H89 IonicContact OD2-CE1 3.55Å; D31-H89 PolarHBondContact OD2-CE1 3.36Å; D31-H89 IonicContact OD2-NE2 3.95Å; D31-H89 PolarHBondContact OD2-NE2 2.91Å; A79-H89 HydrophobicContact CB-CB 4.44Å; V85-H89 WeakPolarHBondContact O-CB 3.31Å; V85-H89 PolarHBondContact O-N 3.29Å; G86-H89 PolarHBondContact O-N 3.47Å; C87-H89 VanDerWaalsContact C-N 3.26Å; C87-H89 PolarHBondContact O-N 3.2Å; H89-Y93 VanDerWaalsContact O-CB 3.3Å; H89-Y93 WeakPolarHBondContact O-CB 3.35Å; H89-Y93 PolarHBondContact O-N 3.44Å
90L97.4Very high95.6Very high0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-66.5-43.5177.9-98.270000112.7V33 V34 Y37 G86 C87 Y93 A94 V127 I128 F131V33-L90 HydrophobicContact CG1-CD1 4.48Å; V34-L90 HydrophobicContact CG2-CD1 4.28Å; Y37-L90 HydrophobicContact CD2-CD1 3.51Å; Y37-L90 HydrophobicContact CD2-CD2 4.45Å; Y37-L90 HydrophobicContact CE2-CD1 4.33Å; Y37-L90 HydrophobicContact CG-CD1 4.02Å; Y37-L90 HydrophobicContact CG-CD2 4.11Å; G86-L90 WeakPolarHBondContact O-CD1 3.33Å; G86-L90 PolarHBondContact O-N 3.38Å; C87-L90 PolarHBondContact O-N 2.82Å; C87-L90 VanDerWaalsContact O-N 3.1Å; L90-Y93 PolarHBondContact O-N 3.42Å; L90-A94 WeakPolarHBondContact O-CB 3.3Å; L90-A94 PolarHBondContact O-N 3.04Å; L90-V127 HydrophobicContact CD2-CB 4.24Å; L90-V127 HydrophobicContact CD2-CG1 3.46Å; L90-V127 VanDerWaalsContact CD2-CG1 3.46Å; L90-I128 HydrophobicContact CB-CD1 4.43Å; L90-I128 HydrophobicContact CB-CG1 3.91Å; L90-I128 HydrophobicContact CD2-CG1 4.4Å; L90-F131 HydrophobicContact CD2-CE2 4.13Å
91E95.6Very high95.7Very high60 Ų6061.5 Ų61.528%0.2831%0.309SS..Hα-helixtrans-60-49.4177.3-76.2-169.9151.200111.6C87 Y93 A94 L95 I128 N138C87-E91 PolarHBondContact O-N 2.95Å; E91-Y93 VanDerWaalsContact C-N 3.3Å; E91-Y93 PolarHBondContact O-N 2.95Å; E91-A94 PolarHBondContact O-N 3.41Å; E91-L95 VanDerWaalsContact O-CB 3.29Å; E91-L95 WeakPolarHBondContact O-CB 3.46Å; E91-L95 PolarHBondContact O-N 3.24Å; E91-I128 HydrophobicContact CB-CD1 4.41Å; E91-I128 HydrophobicContact CG-CD1 3.69Å; E91-I128 HydrophobicContact CG-CG1 4.27Å; E91-I128 HydrophobicContact CG-CG2 4.24Å; E91-N138 PolarHBondContact OE1-ND2 3.34Å
92N96.1Very high95.8Very high106 Ų10658 Ų5857%0.56729%0.287SS*.Hα-helixtrans-62.9-38.6178.2-73.5-42.1000111.9A88 K96A88-N92 VanDerWaalsContact O-CB 3.3Å; A88-N92 WeakPolarHBondContact O-CB 3.42Å; A88-N92 VanDerWaalsContact O-CG 3.23Å; A88-N92 PolarHBondContact O-N 3.17Å; A88-N92 PolarHBondContact O-ND2 3.08Å; N92-K96 WeakPolarHBondContact O-CB 3.47Å; N92-K96 PolarHBondContact O-N 2.99Å
93Y97.1Very high95.8Very high58 Ų5858.3 Ų58.323%0.22729%0.291CS..Hα-helixtrans-68-43.7177.9-170.3-105.4000112.1H27 V34 H89 L90 E91 K96 M97 L124H27-Y93 AromaticContact CD2-CE1 3.81Å; H27-Y93 AromaticContact CD2-CZ 3.83Å; H27-Y93 PolarHBondContact CD2-OH 3.38Å; H27-Y93 VanDerWaalsContact CD2-OH 3.32Å; H27-Y93 AromaticContact NE2-CE1 3.31Å; H27-Y93 VanDerWaalsContact NE2-CE1 3.31Å; H27-Y93 WeakPolarHBondContact NE2-CE1 3.32Å; H27-Y93 AromaticContact NE2-CZ 3.44Å; H27-Y93 PolarHBondContact NE2-OH 3.32Å; V34-Y93 HydrophobicContact CG1-CE1 4.47Å; V34-Y93 HydrophobicContact CG2-CD1 3.87Å; V34-Y93 HydrophobicContact CG2-CE1 4.27Å; V34-Y93 HydrophobicContact CG2-CG 4.21Å; H89-Y93 VanDerWaalsContact O-CB 3.3Å; H89-Y93 WeakPolarHBondContact O-CB 3.35Å; H89-Y93 PolarHBondContact O-N 3.44Å; L90-Y93 PolarHBondContact O-N 3.42Å; E91-Y93 VanDerWaalsContact C-N 3.3Å; E91-Y93 PolarHBondContact O-N 2.95Å; Y93-K96 PolarHBondContact O-N 2.86Å; Y93-M97 HydrophobicContact CE1-CE 4.11Å; Y93-M97 HydrophobicContact CE1-SD 4.32Å; Y93-M97 PolarHBondContact O-N 3.1Å; Y93-M97 VanDerWaalsContact O-N 3.17Å; Y93-L124 HydrophobicContact CD1-CD1 3.56Å; Y93-L124 HydrophobicContact CE1-CD1 3.91Å
94A97.1Very high96Very high3 Ų352.8 Ų52.83%0.02527%0.265CS..Hα-helixtrans-61.9-47175.100000111.3L90 E91 K96 M97 F98 L124 I125 I128L90-A94 WeakPolarHBondContact O-CB 3.3Å; L90-A94 PolarHBondContact O-N 3.04Å; E91-A94 PolarHBondContact O-N 3.41Å; A94-K96 VanDerWaalsContact C-N 3.35Å; A94-K96 PolarHBondContact O-N 3.32Å; A94-M97 PolarHBondContact O-N 3.42Å; A94-F98 WeakPolarHBondContact O-CB 3.32Å; A94-F98 PolarHBondContact O-N 3.06Å; A94-L124 HydrophobicContact CB-CB 3.8Å; A94-L124 HydrophobicContact CB-CD1 4.17Å; A94-I125 HydrophobicContact CB-CG1 4.29Å; A94-I128 HydrophobicContact CB-CD1 4.48Å
95L95Very high96.1Very high67 Ų6746.3 Ų46.335%0.35123%0.232SC..Hα-helixtrans-60.9-42.7177.9-177.962.3000111.6E91 M97 F98 L99E91-L95 VanDerWaalsContact O-CB 3.29Å; E91-L95 WeakPolarHBondContact O-CB 3.46Å; E91-L95 PolarHBondContact O-N 3.24Å; L95-M97 VanDerWaalsContact C-N 3.34Å; L95-M97 PolarHBondContact O-N 2.85Å; L95-F98 WeakPolarHBondContact O-CB 3.49Å; L95-F98 PolarHBondContact O-N 2.82Å; L95-L99 HydrophobicContact CD1-CD1 4.08Å; L95-L99 HydrophobicContact CD1-CD2 4.45Å; L95-L99 HydrophobicContact CD1-CG 3.98Å; L95-L99 HydrophobicContact CG-CD1 3.91Å; L95-L99 HydrophobicContact CG-CG 4.23Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 3.32Å
96K96.4Very high95.9Very high157 Ų15750.5 Ų50.568%0.68324%0.243SC*.Hα-helixtrans-60.1-43176.9-177174.7-179.41740112.2N92 Y93 A94 Y100N92-K96 WeakPolarHBondContact O-CB 3.47Å; N92-K96 PolarHBondContact O-N 2.99Å; Y93-K96 PolarHBondContact O-N 2.86Å; A94-K96 VanDerWaalsContact C-N 3.35Å; A94-K96 PolarHBondContact O-N 3.32Å; K96-Y100 WeakPolarHBondContact O-CB 3.47Å; K96-Y100 PolarHBondContact O-N 2.88Å; K96-Y100 VanDerWaalsContact O-N 3.08Å
97M94.8Very high95.8Very high28 Ų2852.9 Ų52.914%0.13826%0.263CS..Hα-helixtrans-69.1-37.6176.3-71.5-147.2-59.900112.6Y93 A94 L95 A101 T120 A121 L124Y93-M97 HydrophobicContact CE1-CE 4.11Å; Y93-M97 HydrophobicContact CE1-SD 4.32Å; Y93-M97 PolarHBondContact O-N 3.1Å; Y93-M97 VanDerWaalsContact O-N 3.17Å; A94-M97 PolarHBondContact O-N 3.42Å; L95-M97 VanDerWaalsContact C-N 3.34Å; L95-M97 PolarHBondContact O-N 2.85Å; M97-A101 PolarHBondContact O-N 3.28Å; M97-A101 VanDerWaalsContact O-N 3.12Å; M97-T120 HydrophobicContact CE-CG2 3.42Å; M97-T120 VanDerWaalsContact CE-CG2 3.42Å; M97-A121 HydrophobicContact CB-CB 4.3Å; M97-L124 HydrophobicContact CE-CD1 3.39Å
98F96.8Very high95.8Very high11 Ų1153.4 Ų53.45%0.04827%0.272CS..Hα-helixtrans-60.2-53.4174.3-179.1-86.5000111.3A94 L95 Y100 A101 D102 F118 A121 H141 Y144 A145A94-F98 WeakPolarHBondContact O-CB 3.32Å; A94-F98 PolarHBondContact O-N 3.06Å; L95-F98 WeakPolarHBondContact O-CB 3.49Å; L95-F98 PolarHBondContact O-N 2.82Å; F98-Y100 VanDerWaalsContact C-N 3.33Å; F98-Y100 PolarHBondContact O-N 2.75Å; F98-A101 PolarHBondContact O-N 2.92Å; F98-A101 VanDerWaalsContact O-N 3.08Å; F98-D102 HydrophobicContact CE1-CB 4.35Å; F98-D102 WeakPolarHBondContact O-CB 3.48Å; F98-D102 PolarHBondContact O-N 2.8Å; F98-F118 HydrophobicContact CD2-CD1 4.24Å; F98-F118 HydrophobicContact CD2-CE1 4.24Å; F98-F118 HydrophobicContact CE2-CD1 4.42Å; F98-F118 HydrophobicContact CE2-CE1 4.16Å; F98-A121 HydrophobicContact CB-CB 4.14Å; F98-H141 HydrophobicContact CD2-CB 4.26Å; F98-H141 AromaticContact CE1-CD2 3.54Å; F98-H141 AromaticContact CE1-NE2 3.65Å; F98-H141 HydrophobicContact CE2-CB 4.03Å; F98-H141 AromaticContact CE2-CD2 3.8Å; F98-H141 HydrophobicContact CZ-CB 4.48Å; F98-H141 AromaticContact CZ-CD2 3.35Å; F98-H141 WeakPolarHBondContact CZ-CD2 3.49Å; F98-H141 AromaticContact CZ-NE2 3.96Å; F98-Y144 AromaticContact CE2-CD1 3.59Å; F98-Y144 HydrophobicContact CE2-CD1 3.59Å; F98-Y144 HydrophobicContact CE2-CE1 4.25Å; F98-Y144 AromaticContact CZ-CD1 3.49Å; F98-Y144 HydrophobicContact CZ-CD1 3.49Å; F98-Y144 VanDerWaalsContact CZ-CD1 3.49Å; F98-Y144 AromaticContact CZ-CE1 3.87Å; F98-Y144 HydrophobicContact CZ-CE1 3.87Å; F98-Y144 HydrophobicContact CZ-CG 4.39Å; F98-A145 HydrophobicContact CD2-CB 3.91Å; F98-A145 HydrophobicContact CE2-CB 3.94Å
99L95.8Very high95.7Very high80 Ų8057.4 Ų57.442%0.41928%0.279SS..Hα-helixtrans-64.5-35.8-178.5-69176000112.6L95 N103L95-L99 HydrophobicContact CD1-CD1 4.08Å; L95-L99 HydrophobicContact CD1-CD2 4.45Å; L95-L99 HydrophobicContact CD1-CG 3.98Å; L95-L99 HydrophobicContact CG-CD1 3.91Å; L95-L99 HydrophobicContact CG-CG 4.23Å; L95-L99 WeakPolarHBondContact O-CB 3.43Å; L95-L99 WeakPolarHBondContact O-CG 3.49Å; L95-L99 PolarHBondContact O-N 3.32Å; L99-N103 WeakPolarHBondContact O-CB 3.49Å; L99-N103 VanDerWaalsContact O-CG 3.29Å; L99-N103 PolarHBondContact O-N 3.27Å
100Y96.8Very high95.6Very high93 Ų9356.1 Ų56.137%0.36527%0.272SS..Hα-helixtrans-58.5-49.8170.7162.8-100.3000111K96 F98 N103 E104 M114 S117K96-Y100 WeakPolarHBondContact O-CB 3.47Å; K96-Y100 PolarHBondContact O-N 2.88Å; K96-Y100 VanDerWaalsContact O-N 3.08Å; F98-Y100 VanDerWaalsContact C-N 3.33Å; F98-Y100 PolarHBondContact O-N 2.75Å; Y100-N103 PolarHBondContact O-N 3.06Å; Y100-E104 HydrophobicContact CD2-CG 4.48Å; Y100-E104 HydrophobicContact CE2-CG 4.04Å; Y100-E104 WeakPolarHBondContact O-CG 3.19Å; Y100-E104 PolarHBondContact O-N 3.04Å; Y100-E104 VanDerWaalsContact O-N 3.14Å; Y100-M114 HydrophobicContact CE1-CB 4.49Å; Y100-S117 WeakPolarHBondContact CD1-OG 3.46Å; Y100-S117 WeakPolarHBondContact CE1-OG 3.36Å
101A96.6Very high95.5Very high0 Ų059.2 Ų59.20%029%0.287CS..Hα-helixtrans-66.9-38.3-179.200000112.4M97 F98 E104 D105 M114 F118M97-A101 PolarHBondContact O-N 3.28Å; M97-A101 VanDerWaalsContact O-N 3.12Å; F98-A101 PolarHBondContact O-N 2.92Å; F98-A101 VanDerWaalsContact O-N 3.08Å; A101-E104 PolarHBondContact O-N 3.43Å; A101-D105 WeakPolarHBondContact O-CB 3.42Å; A101-D105 PolarHBondContact O-N 3.22Å; A101-M114 HydrophobicContact CB-CB 4.31Å; A101-M114 WeakPolarHBondContact CB-O 3.5Å; A101-M114 WeakPolarHBondContact O-CE 3.39Å; A101-F118 VanDerWaalsContact C-CZ 3.49Å; A101-F118 HydrophobicContact CB-CB 4.32Å; A101-F118 HydrophobicContact CB-CD1 3.62Å; A101-F118 HydrophobicContact CB-CD2 3.53Å; A101-F118 HydrophobicContact CB-CE1 3.71Å; A101-F118 HydrophobicContact CB-CE2 3.64Å; A101-F118 HydrophobicContact CB-CG 3.52Å; A101-F118 HydrophobicContact CB-CZ 3.72Å
102D94.8Very high95.5Very high11 Ų1164.3 Ų64.36%0.05931%0.308CS..Hα-helixtrans-66-38.7176.7-16659.5000112.1F98 D105 R106 F118 Y144F98-D102 HydrophobicContact CE1-CB 4.35Å; F98-D102 WeakPolarHBondContact O-CB 3.48Å; F98-D102 PolarHBondContact O-N 2.8Å; D102-D105 PolarHBondContact O-N 3.27Å; D102-R106 WeakPolarHBondContact O-CB 3.32Å; D102-R106 VanDerWaalsContact O-CG 3.26Å; D102-R106 WeakPolarHBondContact O-CG 3.34Å; D102-R106 PolarHBondContact O-N 3.37Å; D102-R106 IonicContact OD1-NE 2.7Å; D102-R106 IonicContact OD1-NH2 3.17Å; D102-R106 IonicContact OD2-CZ 3.98Å; D102-R106 VanDerWaalsContact OD2-CZ 3.31Å; D102-R106 IonicContact OD2-NE 2.77Å; D102-R106 PolarHBondContact OD2-NE 3.42Å; D102-R106 IonicContact OD2-NH2 2.9Å; D102-R106 PolarHBondContact OD2-NH2 3.37Å; D102-F118 HydrophobicContact CB-CE1 4.36Å; D102-F118 HydrophobicContact CB-CZ 4.23Å; D102-Y144 PolarHBondContact OD1-OH 3.35Å; D102-Y144 VanDerWaalsContact OD1-OH 3.05Å
103N95.6Very high95.5Very high98 Ų9863.9 Ų63.952%0.52431%0.306SS..Hα-helixtrans-64.9-39.8173.6-79.2-12.4000112.5L99 Y100 A107L99-N103 WeakPolarHBondContact O-CB 3.49Å; L99-N103 VanDerWaalsContact O-CG 3.29Å; L99-N103 PolarHBondContact O-N 3.27Å; Y100-N103 PolarHBondContact O-N 3.06Å; N103-A107 WeakPolarHBondContact O-CB 3.3Å; N103-A107 PolarHBondContact O-N 3.22Å; N103-A107 VanDerWaalsContact O-N 3.14Å
104E95.8Very high95.5Very high26 Ų2661.1 Ų61.112%0.12130%0.295CS..Hα-helixtrans-65.6-42.7174-65.9-56.3110.800111.5Y100 A101 A107 G108 R109 H111 M114Y100-E104 HydrophobicContact CD2-CG 4.48Å; Y100-E104 HydrophobicContact CE2-CG 4.04Å; Y100-E104 WeakPolarHBondContact O-CG 3.19Å; Y100-E104 PolarHBondContact O-N 3.04Å; Y100-E104 VanDerWaalsContact O-N 3.14Å; A101-E104 PolarHBondContact O-N 3.43Å; E104-A107 CarbonylContact O-C 3.56Å; E104-A107 PolarHBondContact O-N 3.16Å; E104-G108 PolarHBondContact O-N 2.88Å; E104-R109 HydrophobicContact CB-CB 4.46Å; E104-R109 PolarHBondContact O-N 3.29Å; E104-R109 IonicContact OE1-CZ 3.88Å; E104-R109 IonicContact OE1-NE 3.9Å; E104-R109 PolarHBondContact OE1-NE 2.89Å; E104-R109 IonicContact OE1-NH2 3.38Å; E104-R109 PolarHBondContact OE1-NH2 3.14Å; E104-R109 WeakPolarHBondContact OE2-CB 3.47Å; E104-R109 IonicContact OE2-CZ 2.63Å; E104-R109 IonicContact OE2-NE 3.46Å; E104-R109 PolarHBondContact OE2-NE 3.12Å; E104-R109 IonicContact OE2-NH2 2.75Å; E104-H111 IonicContact OE2-NE2 2.89Å; E104-H111 PolarHBondContact OE2-NE2 2.95Å; E104-M114 HydrophobicContact CB-CB 3.87Å; E104-M114 HydrophobicContact CB-CE 4.25Å; E104-M114 HydrophobicContact CB-CG 4.13Å; E104-M114 HydrophobicContact CG-CB 4.17Å
105D94.9Very high95.5Very high0 Ų061.9 Ų61.90%030%0.298CS..Hα-helixtrans-61-49177-178.687000112A101 D102 A107 G108 M114 F118 K148 I152 A164 G165A101-D105 WeakPolarHBondContact O-CB 3.42Å; A101-D105 PolarHBondContact O-N 3.22Å; D102-D105 PolarHBondContact O-N 3.27Å; D105-A107 PolarHBondContact O-N 3.37Å; D105-G108 PolarHBondContact O-N 3.15Å; D105-M114 HydrophobicContact CB-CE 3.67Å; D105-F118 HydrophobicContact CB-CE2 4.15Å; D105-F118 HydrophobicContact CB-CZ 4.3Å; D105-K148 IonicContact OD1-NZ 2.75Å; D105-K148 PolarHBondContact OD1-NZ 3.36Å; D105-K148 IonicContact OD2-NZ 2.7Å; D105-K148 PolarHBondContact OD2-NZ 2.94Å; D105-I152 WeakPolarHBondContact OD1-CD1 3.26Å; D105-A164 WeakPolarHBondContact O-CA 3.17Å; D105-A164 VanDerWaalsContact O-CB 3.23Å; D105-A164 WeakPolarHBondContact O-CB 3.33Å; D105-G165 VanDerWaalsContact OD2-CA 3.31Å; D105-G165 WeakPolarHBondContact OD2-CA 3.41Å; D105-G165 PolarHBondContact OD2-N 2.89Å; D105-G165 VanDerWaalsContact OD2-O 3.11Å
106R93.1Very high95.5Very high134 Ų13465 Ų6551%0.50631%0.309SS..Hα-helixtrans-61-31.2176.4-73.7174.6-170-88.6-4.8113D102 G108D102-R106 WeakPolarHBondContact O-CB 3.32Å; D102-R106 VanDerWaalsContact O-CG 3.26Å; D102-R106 WeakPolarHBondContact O-CG 3.34Å; D102-R106 PolarHBondContact O-N 3.37Å; D102-R106 IonicContact OD1-NE 2.7Å; D102-R106 IonicContact OD1-NH2 3.17Å; D102-R106 IonicContact OD2-CZ 3.98Å; D102-R106 VanDerWaalsContact OD2-CZ 3.31Å; D102-R106 IonicContact OD2-NE 2.77Å; D102-R106 PolarHBondContact OD2-NE 3.42Å; D102-R106 IonicContact OD2-NH2 2.9Å; D102-R106 PolarHBondContact OD2-NH2 3.37Å; R106-G108 VanDerWaalsContact C-N 3.27Å
107A94Very high95.5Very high51 Ų5158.3 Ų58.342%0.42128%0.282SS..THydrogen-bonded Turntrans-85.32.5176.600000113.6N103 E104 D105 R109N103-A107 WeakPolarHBondContact O-CB 3.3Å; N103-A107 PolarHBondContact O-N 3.22Å; N103-A107 VanDerWaalsContact O-N 3.14Å; E104-A107 CarbonylContact O-C 3.56Å; E104-A107 PolarHBondContact O-N 3.16Å; D105-A107 PolarHBondContact O-N 3.37Å; A107-R109 HydrophobicContact CB-CG 4.39Å; A107-R109 VanDerWaalsContact CB-CZ 3.45Å; A107-R109 PolarHBondContact O-N 3.48Å
108G93.9Very high95.7Very high35 Ų3557 Ų5736%0.36128%0.276SS..THydrogen-bonded Turntrans67.319.9-178.300000114E104 D105 R106 F110E104-G108 PolarHBondContact O-N 2.88Å; D105-G108 PolarHBondContact O-N 3.15Å; R106-G108 VanDerWaalsContact C-N 3.27Å; G108-F110 WeakPolarHBondContact O-CD2 3.33Å; G108-F110 PolarHBondContact O-N 3.32Å
109R94.3Very high95.7Very high122 Ų12260 Ų6046%0.4629%0.288SS..  trans-93.789.4-179.7-68.7-167.2-63.2-86.4-4.6110.5E104 A107E104-R109 HydrophobicContact CB-CB 4.46Å; E104-R109 PolarHBondContact O-N 3.29Å; E104-R109 IonicContact OE1-CZ 3.88Å; E104-R109 IonicContact OE1-NE 3.9Å; E104-R109 PolarHBondContact OE1-NE 2.89Å; E104-R109 IonicContact OE1-NH2 3.38Å; E104-R109 PolarHBondContact OE1-NH2 3.14Å; E104-R109 WeakPolarHBondContact OE2-CB 3.47Å; E104-R109 IonicContact OE2-CZ 2.63Å; E104-R109 IonicContact OE2-NE 3.46Å; E104-R109 PolarHBondContact OE2-NE 3.12Å; E104-R109 IonicContact OE2-NH2 2.75Å; A107-R109 HydrophobicContact CB-CG 4.39Å; A107-R109 VanDerWaalsContact CB-CZ 3.45Å; A107-R109 PolarHBondContact O-N 3.48Å
110F95.8Very high95.8Very high38 Ų3857 Ų5717%0.16727%0.272CS..  trans-94.1116.1-177.8-54.4-66.6000112G108 M114 I152 L156 P162 A164G108-F110 WeakPolarHBondContact O-CD2 3.33Å; G108-F110 PolarHBondContact O-N 3.32Å; F110-M114 HydrophobicContact CD1-CE 4.25Å; F110-I152 HydrophobicContact CB-CG2 4.12Å; F110-I152 HydrophobicContact CD1-CD1 4.09Å; F110-I152 HydrophobicContact CD1-CG1 4.24Å; F110-I152 HydrophobicContact CD1-CG2 3.78Å; F110-I152 HydrophobicContact CE1-CD1 4.19Å; F110-I152 HydrophobicContact CE1-CG1 4.36Å; F110-I152 HydrophobicContact CG-CG2 4.28Å; F110-L156 HydrophobicContact CB-CD1 4.25Å; F110-L156 HydrophobicContact CB-CD2 4.07Å; F110-L156 HydrophobicContact CB-CG 4.49Å; F110-P162 HydrophobicContact CB-CG 4.25Å; F110-P162 HydrophobicContact CD1-CB 4.1Å; F110-P162 HydrophobicContact CD1-CG 3.84Å; F110-P162 HydrophobicContact CD2-CB 4.27Å; F110-P162 HydrophobicContact CD2-CG 3.76Å; F110-P162 HydrophobicContact CE1-CB 3.81Å; F110-P162 HydrophobicContact CE1-CG 4.08Å; F110-P162 HydrophobicContact CE2-CB 3.99Å; F110-P162 HydrophobicContact CE2-CG 3.99Å; F110-P162 WeakPolarHBondContact CE2-O 3.49Å; F110-P162 HydrophobicContact CG-CB 4.31Å; F110-P162 HydrophobicContact CG-CG 3.67Å; F110-P162 HydrophobicContact CZ-CB 3.75Å; F110-P162 HydrophobicContact CZ-CG 4.14Å; F110-P162 WeakPolarHBondContact CZ-O 3.28Å; F110-A164 HydrophobicContact CZ-CB 4.22Å
111H95.4Very high95.9Very high65 Ų6552.5 Ų52.530%0.30126%0.255SS..  trans-155.4166.2178.255.255.4000112.6E104 N113 M114 I115E104-H111 IonicContact OE2-NE2 2.89Å; E104-H111 PolarHBondContact OE2-NE2 2.95Å; H111-N113 PolarHBondContact ND1-N 3.33Å; H111-N113 PolarHBondContact O-N 3.44Å; H111-M114 PolarHBondContact ND1-N 3.23Å; H111-M114 VanDerWaalsContact O-CG 3.31Å; H111-M114 WeakPolarHBondContact O-CG 3.45Å; H111-M114 PolarHBondContact O-N 2.93Å; H111-I115 PolarHBondContact O-N 3.07Å
112K95.8Very high95.9Very high167 Ų16752.5 Ų52.573%0.72626%0.255SS*.Hα-helixtrans-54.3-34.4-175.2-65.7-177.4-179.5178.40114.3K116K112-K116 WeakPolarHBondContact O-CB 3.35Å; K112-K116 VanDerWaalsContact O-CG 3.29Å; K112-K116 WeakPolarHBondContact O-CG 3.42Å; K112-K116 PolarHBondContact O-N 2.88Å
113N95.8Very high96.1Very high97 Ų9752.3 Ų52.352%0.51925%0.253SS..Hα-helixtrans-68.5-41-177.5-68.2-11.8000113H111 K116 S117H111-N113 PolarHBondContact ND1-N 3.33Å; H111-N113 PolarHBondContact O-N 3.44Å; N113-K116 PolarHBondContact O-N 3.28Å; N113-S117 PolarHBondContact O-N 3.07Å; N113-S117 PolarHBondContact O-OG 3.49Å; N113-S117 VanDerWaalsContact O-OG 3.1Å
114M96.3Very high96.2Very high0 Ų047.6 Ų47.60%023%0.228CC..Hα-helixtrans-72.9-34.9-18064.879.874.700111.5Y100 A101 E104 D105 F110 H111 K116 S117 F118 I152Y100-M114 HydrophobicContact CE1-CB 4.49Å; A101-M114 HydrophobicContact CB-CB 4.31Å; A101-M114 WeakPolarHBondContact CB-O 3.5Å; A101-M114 WeakPolarHBondContact O-CE 3.39Å; E104-M114 HydrophobicContact CB-CB 3.87Å; E104-M114 HydrophobicContact CB-CE 4.25Å; E104-M114 HydrophobicContact CB-CG 4.13Å; E104-M114 HydrophobicContact CG-CB 4.17Å; D105-M114 HydrophobicContact CB-CE 3.67Å; F110-M114 HydrophobicContact CD1-CE 4.25Å; H111-M114 PolarHBondContact ND1-N 3.23Å; H111-M114 VanDerWaalsContact O-CG 3.31Å; H111-M114 WeakPolarHBondContact O-CG 3.45Å; H111-M114 PolarHBondContact O-N 2.93Å; M114-K116 PolarHBondContact O-N 3.33Å; M114-S117 PolarHBondContact O-N 3.39Å; M114-F118 HydrophobicContact CE-CD2 4.21Å; M114-F118 HydrophobicContact CE-CE2 3.77Å; M114-F118 PolarHBondContact O-N 3.2Å; M114-I152 HydrophobicContact CE-CD1 3.59Å; M114-I152 HydrophobicContact SD-CD1 3.74Å; M114-I152 HydrophobicContact SD-CG2 4.1Å
115I97.2Very high96.3Very high19 Ų1946.6 Ų46.610%0.09722%0.224CC..Hα-helixtrans-59.3-48170.6-61.2169.3000110.5H111 S117 F118 Y119 A149 I152 H153 L156H111-I115 PolarHBondContact O-N 3.07Å; I115-S117 VanDerWaalsContact C-N 3.33Å; I115-S117 PolarHBondContact O-N 2.98Å; I115-F118 PolarHBondContact O-N 3.4Å; I115-Y119 WeakPolarHBondContact O-CB 3.43Å; I115-Y119 PolarHBondContact O-N 3.33Å; I115-A149 HydrophobicContact CG2-CB 4.29Å; I115-A149 WeakPolarHBondContact CG2-O 3.41Å; I115-I152 HydrophobicContact CD1-CB 4.47Å; I115-I152 HydrophobicContact CD1-CG2 3.84Å; I115-I152 HydrophobicContact CG1-CB 4.17Å; I115-I152 HydrophobicContact CG1-CG2 3.73Å; I115-H153 HydrophobicContact CD1-CB 4.33Å; I115-H153 HydrophobicContact CG2-CB 4.28Å; I115-L156 HydrophobicContact CD1-CD1 3.89Å
116K96.2Very high96.4Very high132 Ų13247.3 Ų47.357%0.57423%0.227SC*.Hα-helixtrans-60.2-43.8175.7-75.6178-179.6-173.40111.2K112 N113 M114 Y119 T120K112-K116 WeakPolarHBondContact O-CB 3.35Å; K112-K116 VanDerWaalsContact O-CG 3.29Å; K112-K116 WeakPolarHBondContact O-CG 3.42Å; K112-K116 PolarHBondContact O-N 2.88Å; N113-K116 PolarHBondContact O-N 3.28Å; M114-K116 PolarHBondContact O-N 3.33Å; K116-Y119 PolarHBondContact O-N 3.21Å; K116-T120 WeakPolarHBondContact O-CB 3.43Å; K116-T120 PolarHBondContact O-N 3.03Å; K116-T120 PolarHBondContact O-OG1 2.93Å
117S96.7Very high96.6Very high18 Ų1841 Ų4113%0.12620%0.204CC..Hα-helixtrans-61.8-45.4178.4-68.20000112.8Y100 N113 M114 I115 A121Y100-S117 WeakPolarHBondContact CD1-OG 3.46Å; Y100-S117 WeakPolarHBondContact CE1-OG 3.36Å; N113-S117 PolarHBondContact O-N 3.07Å; N113-S117 PolarHBondContact O-OG 3.49Å; N113-S117 VanDerWaalsContact O-OG 3.1Å; M114-S117 PolarHBondContact O-N 3.39Å; I115-S117 VanDerWaalsContact C-N 3.33Å; I115-S117 PolarHBondContact O-N 2.98Å; S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.35Å; S117-A121 PolarHBondContact O-N 2.7Å
118F98Very high96.8Very high0 Ų038.8 Ų38.80%019%0.185CC..Hα-helixtrans-60.1-48.7172.7-86.2-49000111.8F98 A101 D102 D105 M114 I115 T120 A121 S122 Y144 A145 K148 A149 I152F98-F118 HydrophobicContact CD2-CD1 4.24Å; F98-F118 HydrophobicContact CD2-CE1 4.24Å; F98-F118 HydrophobicContact CE2-CD1 4.42Å; F98-F118 HydrophobicContact CE2-CE1 4.16Å; A101-F118 VanDerWaalsContact C-CZ 3.49Å; A101-F118 HydrophobicContact CB-CB 4.32Å; A101-F118 HydrophobicContact CB-CD1 3.62Å; A101-F118 HydrophobicContact CB-CD2 3.53Å; A101-F118 HydrophobicContact CB-CE1 3.71Å; A101-F118 HydrophobicContact CB-CE2 3.64Å; A101-F118 HydrophobicContact CB-CG 3.52Å; A101-F118 HydrophobicContact CB-CZ 3.72Å; D102-F118 HydrophobicContact CB-CE1 4.36Å; D102-F118 HydrophobicContact CB-CZ 4.23Å; D105-F118 HydrophobicContact CB-CE2 4.15Å; D105-F118 HydrophobicContact CB-CZ 4.3Å; M114-F118 HydrophobicContact CE-CD2 4.21Å; M114-F118 HydrophobicContact CE-CE2 3.77Å; M114-F118 PolarHBondContact O-N 3.2Å; I115-F118 PolarHBondContact O-N 3.4Å; F118-T120 PolarHBondContact O-N 3.13Å; F118-A121 PolarHBondContact O-N 3.33Å; F118-S122 PolarHBondContact O-N 3.22Å; F118-Y144 HydrophobicContact CE1-CD1 4.22Å; F118-Y144 AromaticContact CE1-CE1 3.85Å; F118-Y144 HydrophobicContact CE1-CE1 3.85Å; F118-Y144 AromaticContact CZ-CE1 3.98Å; F118-Y144 HydrophobicContact CZ-CE1 3.98Å; F118-A145 HydrophobicContact CB-CB 4.35Å; F118-A145 HydrophobicContact CD1-CB 3.91Å; F118-A145 WeakPolarHBondContact O-CB 3.42Å; F118-K148 HydrophobicContact CD2-CB 4.07Å; F118-K148 HydrophobicContact CE2-CB 4.02Å; F118-K148 HydrophobicContact CG-CB 4.42Å; F118-K148 HydrophobicContact CZ-CB 4.34Å; F118-A149 HydrophobicContact CB-CB 3.9Å; F118-I152 HydrophobicContact CD2-CD1 4.44Å; F118-I152 HydrophobicContact CE2-CD1 4.24Å
119Y97.8Very high96.9Very high75 Ų7539.7 Ų39.729%0.29418%0.184SC..Hα-helixtrans-61.8-48.6-178.8-174.9-115000111.6H19 I115 K116 A121 S122 L123H19-Y119 HydrophobicContact CB-CE1 4.31Å; H19-Y119 VanDerWaalsContact CG-OH 3.3Å; I115-Y119 WeakPolarHBondContact O-CB 3.43Å; I115-Y119 PolarHBondContact O-N 3.33Å; K116-Y119 PolarHBondContact O-N 3.21Å; Y119-A121 VanDerWaalsContact C-N 3.35Å; Y119-A121 PolarHBondContact O-N 3.14Å; Y119-S122 WeakPolarHBondContact O-CB 3.5Å; Y119-S122 PolarHBondContact O-N 2.75Å; Y119-S122 VanDerWaalsContact O-N 3.16Å; Y119-S122 PolarHBondContact O-OG 3.08Å; Y119-L123 HydrophobicContact CD1-CD1 4Å; Y119-L123 HydrophobicContact CE1-CD1 3.65Å; Y119-L123 HydrophobicContact CE1-CG 4.28Å; Y119-L123 WeakPolarHBondContact O-CG 3.23Å; Y119-L123 PolarHBondContact O-N 3.5Å; Y119-L123 VanDerWaalsContact O-N 3.09Å
120T97.4Very high97Very high15 Ų1535 Ų359%0.09217%0.169CC..Hα-helixtrans-66.1-35.9178.7-52.60000111.8T23 M97 K116 F118 S122 L123 L124T23-T120 HydrophobicContact CG2-CG2 3.6Å; M97-T120 HydrophobicContact CE-CG2 3.42Å; M97-T120 VanDerWaalsContact CE-CG2 3.42Å; K116-T120 WeakPolarHBondContact O-CB 3.43Å; K116-T120 PolarHBondContact O-N 3.03Å; K116-T120 PolarHBondContact O-OG1 2.93Å; F118-T120 PolarHBondContact O-N 3.13Å; T120-S122 VanDerWaalsContact C-N 3.31Å; T120-S122 PolarHBondContact O-N 3.41Å; T120-L123 PolarHBondContact O-N 3.48Å; T120-L124 HydrophobicContact CG2-CD1 4.38Å; T120-L124 HydrophobicContact CG2-CG 4.44Å; T120-L124 WeakPolarHBondContact O-CG 3.48Å; T120-L124 PolarHBondContact O-N 3.39Å
121A97.8Very high97Very high0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-58.8-43.9172.100000111.2M97 F98 S117 F118 Y119 L123 L124 I125M97-A121 HydrophobicContact CB-CB 4.3Å; F98-A121 HydrophobicContact CB-CB 4.14Å; S117-A121 VanDerWaalsContact O-CB 3.23Å; S117-A121 WeakPolarHBondContact O-CB 3.35Å; S117-A121 PolarHBondContact O-N 2.7Å; F118-A121 PolarHBondContact O-N 3.33Å; Y119-A121 VanDerWaalsContact C-N 3.35Å; Y119-A121 PolarHBondContact O-N 3.14Å; A121-L123 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 3.14Å; A121-L124 PolarHBondContact O-N 2.93Å; A121-I125 WeakPolarHBondContact O-CG1 3.31Å; A121-I125 PolarHBondContact O-N 3.4Å
122S97.7Very high96.9Very high0 Ų034.4 Ų34.40%018%0.177CC..Hα-helixtrans-61.9-38.6176.180.90000112.9F118 Y119 T120 I125 D126F118-S122 PolarHBondContact O-N 3.22Å; Y119-S122 WeakPolarHBondContact O-CB 3.5Å; Y119-S122 PolarHBondContact O-N 2.75Å; Y119-S122 VanDerWaalsContact O-N 3.16Å; Y119-S122 PolarHBondContact O-OG 3.08Å; T120-S122 VanDerWaalsContact C-N 3.31Å; T120-S122 PolarHBondContact O-N 3.41Å; S122-I125 PolarHBondContact O-N 2.84Å; S122-D126 PolarHBondContact O-N 3.31Å; S122-D126 VanDerWaalsContact O-N 3.15Å
123L97.8Very high96.8Very high6 Ų635.8 Ų35.83%0.03119%0.186CC..Hα-helixtrans-68.5-38.4176.6-64176.2000112H19 Y119 T120 A121 I125 D126 V127H19-L123 HydrophobicContact CB-CD1 3.88Å; H19-L123 HydrophobicContact CB-CD2 4.28Å; Y119-L123 HydrophobicContact CD1-CD1 4Å; Y119-L123 HydrophobicContact CE1-CD1 3.65Å; Y119-L123 HydrophobicContact CE1-CG 4.28Å; Y119-L123 WeakPolarHBondContact O-CG 3.23Å; Y119-L123 PolarHBondContact O-N 3.5Å; Y119-L123 VanDerWaalsContact O-N 3.09Å; T120-L123 PolarHBondContact O-N 3.48Å; A121-L123 VanDerWaalsContact C-N 3.32Å; A121-L123 PolarHBondContact O-N 3.14Å; L123-I125 VanDerWaalsContact C-N 3.3Å; L123-D126 WeakPolarHBondContact O-CB 3.37Å; L123-D126 PolarHBondContact O-N 2.89Å; L123-V127 WeakPolarHBondContact O-CG2 3.46Å; L123-V127 PolarHBondContact O-N 3.12Å
124L97.9Very high96.7Very high0 Ų032.8 Ų32.80%017%0.17CC..Hα-helixtrans-66.3-35.5176.4-70.8168.2000111.6V34 Y93 A94 M97 T120 A121 D126 V127 I128V34-L124 HydrophobicContact CG1-CD2 3.6Å; Y93-L124 HydrophobicContact CD1-CD1 3.56Å; Y93-L124 HydrophobicContact CE1-CD1 3.91Å; A94-L124 HydrophobicContact CB-CB 3.8Å; A94-L124 HydrophobicContact CB-CD1 4.17Å; M97-L124 HydrophobicContact CE-CD1 3.39Å; T120-L124 HydrophobicContact CG2-CD1 4.38Å; T120-L124 HydrophobicContact CG2-CG 4.44Å; T120-L124 WeakPolarHBondContact O-CG 3.48Å; T120-L124 PolarHBondContact O-N 3.39Å; A121-L124 PolarHBondContact O-N 2.93Å; L124-D126 VanDerWaalsContact C-N 3.32Å; L124-V127 CarbonylContact O-C 3.14Å; L124-V127 WeakPolarHBondContact O-CA 3.29Å; L124-V127 WeakPolarHBondContact O-CB 3.37Å; L124-V127 PolarHBondContact O-N 2.83Å; L124-V127 VanDerWaalsContact O-N 3.08Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.19Å; L124-I128 PolarHBondContact O-N 3.19Å
125I97.8Very high96.6Very high4 Ų436.1 Ų36.12%0.02119%0.19CC..Hα-helixtrans-65.4-37173.2-62.7163.9000111.1A94 A121 S122 L123 V127 I128 L134 N138 H141 R142A94-I125 HydrophobicContact CB-CG1 4.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.31Å; A121-I125 PolarHBondContact O-N 3.4Å; S122-I125 PolarHBondContact O-N 2.84Å; L123-I125 VanDerWaalsContact C-N 3.3Å; I125-V127 VanDerWaalsContact C-N 3.3Å; I125-V127 PolarHBondContact O-N 3.22Å; I125-I128 HydrophobicContact CG1-CD1 4.41Å; I125-I128 WeakPolarHBondContact O-CB 3.36Å; I125-I128 PolarHBondContact O-N 3.44Å; I125-L134 HydrophobicContact CG2-CD1 3.84Å; I125-L134 HydrophobicContact CG2-CD2 4.2Å; I125-N138 HydrophobicContact CG2-CB 3.92Å; I125-H141 HydrophobicContact CD1-CB 3.84Å; I125-R142 HydrophobicContact CB-CB 4.16Å; I125-R142 HydrophobicContact CB-CG 4.46Å; I125-R142 HydrophobicContact CD1-CB 4.03Å; I125-R142 HydrophobicContact CG2-CB 3.84Å; I125-R142 HydrophobicContact CG2-CG 4.37Å
126D97.4Very high96.4Very high15 Ų1541.6 Ų41.68%0.0822%0.22CC..Hα-helixtrans-61.8-39.9169.3-66.7-32.9000111.4H20 Y41 S122 L123 L124 I128 T129 R142 R146H20-D126 IonicContact NE2-OD2 2.87Å; Y41-D126 VanDerWaalsContact CD2-O 3.29Å; Y41-D126 WeakPolarHBondContact CD2-O 3.33Å; Y41-D126 HydrophobicContact CE2-CB 4.33Å; Y41-D126 WeakPolarHBondContact CE2-O 3.42Å; S122-D126 PolarHBondContact O-N 3.31Å; S122-D126 VanDerWaalsContact O-N 3.15Å; L123-D126 WeakPolarHBondContact O-CB 3.37Å; L123-D126 PolarHBondContact O-N 2.89Å; L124-D126 VanDerWaalsContact C-N 3.32Å; D126-I128 VanDerWaalsContact C-N 3.27Å; D126-I128 PolarHBondContact O-N 3.1Å; D126-T129 WeakPolarHBondContact O-CB 3.49Å; D126-T129 VanDerWaalsContact O-CG2 3.28Å; D126-T129 WeakPolarHBondContact O-CG2 3.39Å; D126-T129 PolarHBondContact O-N 3.48Å; D126-T129 VanDerWaalsContact O-N 3.17Å; D126-T129 PolarHBondContact O-OG1 2.82Å; D126-R142 WeakPolarHBondContact OD1-CD 3.32Å; D126-R142 IonicContact OD1-CZ 3.41Å; D126-R142 IonicContact OD1-NE 3.31Å; D126-R142 IonicContact OD1-NH1 3.31Å; D126-R142 PolarHBondContact OD1-NH1 2.99Å; D126-R146 IonicContact OD1-NH2 3.8Å; D126-R146 IonicContact OD2-CZ 3.75Å; D126-R146 IonicContact OD2-NH2 2.9Å; D126-R146 PolarHBondContact OD2-NH2 3.27Å
127V98.1Very high96.2Very high1 Ų140 Ų401%0.00622%0.215CC..Hα-helixtrans-63.3-34.1177.41750000111.7Y37 C38 Y41 L90 L123 L124 I125 T129 V130Y37-V127 VanDerWaalsContact C-CG1 3.47Å; Y37-V127 WeakPolarHBondContact O-CG1 3.35Å; C38-V127 HydrophobicContact CB-CG2 4.4Å; Y41-V127 HydrophobicContact CD1-CG2 4.15Å; Y41-V127 HydrophobicContact CG-CB 4.4Å; Y41-V127 HydrophobicContact CG-CG2 4.01Å; L90-V127 HydrophobicContact CD2-CB 4.24Å; L90-V127 HydrophobicContact CD2-CG1 3.46Å; L90-V127 VanDerWaalsContact CD2-CG1 3.46Å; L123-V127 WeakPolarHBondContact O-CG2 3.46Å; L123-V127 PolarHBondContact O-N 3.12Å; L124-V127 CarbonylContact O-C 3.14Å; L124-V127 WeakPolarHBondContact O-CA 3.29Å; L124-V127 WeakPolarHBondContact O-CB 3.37Å; L124-V127 PolarHBondContact O-N 2.83Å; L124-V127 VanDerWaalsContact O-N 3.08Å; I125-V127 VanDerWaalsContact C-N 3.3Å; I125-V127 PolarHBondContact O-N 3.22Å; V127-T129 PolarHBondContact O-N 3.21Å; V127-T129 VanDerWaalsContact O-N 3.12Å; V127-V130 WeakPolarHBondContact O-CG1 3.39Å; V127-V130 WeakPolarHBondContact O-CG2 3.26Å; V127-V130 PolarHBondContact O-N 3.36Å; V127-V130 VanDerWaalsContact O-N 3.14Å
128I97.2Very high96Very high5 Ų540 Ų403%0.02621%0.213CC..Hα-helixtrans-60.7-21.9178.1-68.4156.7000112L90 E91 A94 L124 I125 D126 V130 F131 L134L90-I128 HydrophobicContact CB-CD1 4.43Å; L90-I128 HydrophobicContact CB-CG1 3.91Å; L90-I128 HydrophobicContact CD2-CG1 4.4Å; E91-I128 HydrophobicContact CB-CD1 4.41Å; E91-I128 HydrophobicContact CG-CD1 3.69Å; E91-I128 HydrophobicContact CG-CG1 4.27Å; E91-I128 HydrophobicContact CG-CG2 4.24Å; A94-I128 HydrophobicContact CB-CD1 4.48Å; L124-I128 VanDerWaalsContact O-CG1 3.31Å; L124-I128 WeakPolarHBondContact O-CG1 3.19Å; L124-I128 PolarHBondContact O-N 3.19Å; I125-I128 HydrophobicContact CG1-CD1 4.41Å; I125-I128 WeakPolarHBondContact O-CB 3.36Å; I125-I128 PolarHBondContact O-N 3.44Å; D126-I128 VanDerWaalsContact C-N 3.27Å; D126-I128 PolarHBondContact O-N 3.1Å; I128-V130 PolarHBondContact O-N 2.89Å; I128-F131 HydrophobicContact CG2-CD2 4.4Å; I128-F131 WeakPolarHBondContact O-CD2 3.43Å; I128-F131 PolarHBondContact O-N 2.88Å; I128-L134 HydrophobicContact CB-CD2 4.07Å; I128-L134 HydrophobicContact CG2-CD2 3.86Å
129T97.1Very high95.9Very high55 Ų5543 Ų4334%0.33723%0.231SC..G310 helixtrans-62.8-13.6176.974.80000113.5D126 V127 F131 G132 L134D126-T129 WeakPolarHBondContact O-CB 3.49Å; D126-T129 VanDerWaalsContact O-CG2 3.28Å; D126-T129 WeakPolarHBondContact O-CG2 3.39Å; D126-T129 PolarHBondContact O-N 3.48Å; D126-T129 VanDerWaalsContact O-N 3.17Å; D126-T129 PolarHBondContact O-OG1 2.82Å; V127-T129 PolarHBondContact O-N 3.21Å; V127-T129 VanDerWaalsContact O-N 3.12Å; T129-F131 PolarHBondContact O-N 3.33Å; T129-G132 WeakPolarHBondContact CA-O 3.36Å; T129-G132 PolarHBondContact O-N 3.45Å; T129-L134 HydrophobicContact CG2-CD1 3.93Å; T129-L134 HydrophobicContact CG2-CD2 3.83Å; T129-L134 HydrophobicContact CG2-CG 3.85Å
130V96.4Very high95.7Very high24 Ų2445.2 Ų45.215%0.14524%0.242CC..G310 helixtrans-64.6-23172.9-590000112.7Y37 Y41 V127 I128Y37-V130 HydrophobicContact CD1-CG2 4.23Å; Y41-V130 VanDerWaalsContact CA-CG1 3.45Å; Y41-V130 HydrophobicContact CD2-CG1 3.93Å; Y41-V130 HydrophobicContact CG-CG1 4.27Å; V127-V130 WeakPolarHBondContact O-CG1 3.39Å; V127-V130 WeakPolarHBondContact O-CG2 3.26Å; V127-V130 PolarHBondContact O-N 3.36Å; V127-V130 VanDerWaalsContact O-N 3.14Å; I128-V130 PolarHBondContact O-N 2.89Å
131F95.2Very high95.5Very high47 Ų4746 Ų4621%0.20625%0.245CC..G310 helixtrans-90.8-9.9179.3-56.4-73.4000113.1Y37 E83 C87 L90 I128 T129Y37-F131 AromaticContact CD1-CE1 4Å; Y37-F131 HydrophobicContact CD1-CE1 4Å; Y37-F131 HydrophobicContact CD1-CE2 4.19Å; Y37-F131 AromaticContact CD1-CZ 3.41Å; Y37-F131 HydrophobicContact CD1-CZ 3.41Å; Y37-F131 VanDerWaalsContact CD1-CZ 3.41Å; Y37-F131 HydrophobicContact CD2-CZ 4.19Å; Y37-F131 AromaticContact CE1-CE1 3.36Å; Y37-F131 HydrophobicContact CE1-CE1 3.36Å; Y37-F131 HydrophobicContact CE1-CE2 4.34Å; Y37-F131 AromaticContact CE1-CZ 3.2Å; Y37-F131 HydrophobicContact CE1-CZ 3.2Å; Y37-F131 AromaticContact CE2-CZ 3.99Å; Y37-F131 HydrophobicContact CE2-CZ 3.99Å; Y37-F131 AromaticContact CG-CZ 3.92Å; Y37-F131 HydrophobicContact CG-CZ 3.92Å; Y37-F131 AromaticContact CZ-CE1 3.71Å; Y37-F131 AromaticContact CZ-CZ 3.5Å; E83-F131 HydrophobicContact CB-CD1 4.14Å; E83-F131 HydrophobicContact CB-CE1 4.31Å; E83-F131 WeakPolarHBondContact O-CE1 3.48Å; C87-F131 HydrophobicContact CB-CB 4.15Å; C87-F131 HydrophobicContact CB-CD1 3.93Å; C87-F131 HydrophobicContact CB-CD2 3.67Å; C87-F131 HydrophobicContact CB-CE1 4.17Å; C87-F131 HydrophobicContact CB-CE2 3.95Å; C87-F131 HydrophobicContact CB-CG 3.66Å; C87-F131 HydrophobicContact CB-CZ 4.17Å; L90-F131 HydrophobicContact CD2-CE2 4.13Å; I128-F131 HydrophobicContact CG2-CD2 4.4Å; I128-F131 WeakPolarHBondContact O-CD2 3.43Å; I128-F131 PolarHBondContact O-N 2.88Å; T129-F131 PolarHBondContact O-N 3.33Å
132G93.7Very high95.5Very high42 Ų4249.1 Ų49.143%0.43326%0.257SS..SBendtrans136.8-154.1-179.400000113.4T129T129-G132 WeakPolarHBondContact CA-O 3.36Å; T129-G132 PolarHBondContact O-N 3.45Å
133E93.7Very high95.4Very high197 Ų19753.6 Ų53.692%0.92128%0.276SS*.SBendtrans-69.6143.1178.4-66.1-178.2174.500111.4
134L93.4Very high95.2Very high33 Ų3354.2 Ų54.217%0.17328%0.278CS..PPolyproline II helixtrans-77.2146.6177.1-62.4-180000110.3I125 I128 T129 N138 V139I125-L134 HydrophobicContact CG2-CD1 3.84Å; I125-L134 HydrophobicContact CG2-CD2 4.2Å; I128-L134 HydrophobicContact CB-CD2 4.07Å; I128-L134 HydrophobicContact CG2-CD2 3.86Å; T129-L134 HydrophobicContact CG2-CD1 3.93Å; T129-L134 HydrophobicContact CG2-CD2 3.83Å; T129-L134 HydrophobicContact CG2-CG 3.85Å; L134-N138 HydrophobicContact CB-CB 4.13Å; L134-N138 HydrophobicContact CD2-CB 4.42Å; L134-V139 HydrophobicContact CB-CG2 3.85Å; L134-V139 HydrophobicContact CD1-CG2 4.3Å
135T94.1Very high95.2Very high71 Ų7154.2 Ų54.244%0.43628%0.278SS..PPolyproline II helixtrans-66.4154.1166.264.70000110.6E137 N138 V139T135-E137 PolarHBondContact O-N 3.27Å; T135-N138 WeakPolarHBondContact O-CB 3.48Å; T135-N138 PolarHBondContact O-N 2.99Å; T135-N138 WeakPolarHBondContact OG1-CB 3.3Å; T135-N138 PolarHBondContact OG1-N 3.39Å; T135-N138 PolarHBondContact OG1-ND2 3.24Å; T135-V139 PolarHBondContact O-N 3.12Å
136D92.4Very high95.1Very high133 Ų13358.4 Ų58.471%0.71129%0.294SS*.Hα-helixtrans-55.3-36.8176.8-64.2-31000112V139 K140D136-V139 PolarHBondContact O-N 3.03Å; D136-K140 WeakPolarHBondContact O-CG 3.37Å; D136-K140 PolarHBondContact O-N 2.95Å
137E91.7Very high95Very high100 Ų10061.4 Ų61.447%0.46730%0.304SS..Hα-helixtrans-64.3-44.5176.6-16560.9-151.300111.7T135 V139 K140 H141T135-E137 PolarHBondContact O-N 3.27Å; E137-V139 VanDerWaalsContact C-N 3.31Å; E137-V139 PolarHBondContact O-N 3.36Å; E137-K140 PolarHBondContact O-N 3.4Å; E137-H141 WeakPolarHBondContact O-CB 3.38Å; E137-H141 PolarHBondContact O-N 3.08Å; E137-H141 IonicContact OE1-CD2 3.58Å; E137-H141 IonicContact OE1-CE1 3.58Å; E137-H141 PolarHBondContact OE1-CE1 2.99Å; E137-H141 IonicContact OE1-ND1 3.47Å; E137-H141 IonicContact OE1-NE2 2.77Å; E137-H141 PolarHBondContact OE1-NE2 3.3Å; E137-H141 VanDerWaalsContact OE1-NE2 3.12Å
138N93Very high94.8Very high18 Ų1861.3 Ų61.310%0.09630%0.304CS..Hα-helixtrans-61.9-40.2175.2-76.4-18.3000111.1E91 I125 L134 T135 R142E91-N138 PolarHBondContact OE1-ND2 3.34Å; I125-N138 HydrophobicContact CG2-CB 3.92Å; L134-N138 HydrophobicContact CB-CB 4.13Å; L134-N138 HydrophobicContact CD2-CB 4.42Å; T135-N138 WeakPolarHBondContact O-CB 3.48Å; T135-N138 PolarHBondContact O-N 2.99Å; T135-N138 WeakPolarHBondContact OG1-CB 3.3Å; T135-N138 PolarHBondContact OG1-N 3.39Å; T135-N138 PolarHBondContact OG1-ND2 3.24Å; N138-R142 VanDerWaalsContact O-CB 3.26Å; N138-R142 WeakPolarHBondContact O-CB 3.35Å; N138-R142 PolarHBondContact O-N 2.8Å
139V95.4Very high94.8Very high63 Ų6361.3 Ų61.338%0.38230%0.304SS..Hα-helixtrans-61.6-47.5176175.80000111L134 T135 D136 E137 R142 K143L134-V139 HydrophobicContact CB-CG2 3.85Å; L134-V139 HydrophobicContact CD1-CG2 4.3Å; T135-V139 PolarHBondContact O-N 3.12Å; D136-V139 PolarHBondContact O-N 3.03Å; E137-V139 VanDerWaalsContact C-N 3.31Å; E137-V139 PolarHBondContact O-N 3.36Å; V139-R142 PolarHBondContact O-N 2.97Å; V139-K143 PolarHBondContact O-N 3.21Å
140K94.4Very high94.7Very high121 Ų12162.1 Ų62.153%0.52631%0.309SS..Hα-helixtrans-61.4-50.3177.3-72.2176.4-176.5-174.90111.7D136 E137 R142 K143 Y144D136-K140 WeakPolarHBondContact O-CG 3.37Å; D136-K140 PolarHBondContact O-N 2.95Å; E137-K140 PolarHBondContact O-N 3.4Å; K140-R142 VanDerWaalsContact C-N 3.32Å; K140-R142 PolarHBondContact O-N 2.9Å; K140-K143 PolarHBondContact O-N 3.14Å; K140-Y144 WeakPolarHBondContact O-CB 3.4Å; K140-Y144 PolarHBondContact O-N 3.25Å
141H94.3Very high94.7Very high32 Ų3264 Ų6415%0.14831%0.314CS..Hα-helixtrans-59.1-41.9177.6-76.7158.7000112.4F98 I125 E137 A145F98-H141 HydrophobicContact CD2-CB 4.26Å; F98-H141 AromaticContact CE1-CD2 3.54Å; F98-H141 AromaticContact CE1-NE2 3.65Å; F98-H141 HydrophobicContact CE2-CB 4.03Å; F98-H141 AromaticContact CE2-CD2 3.8Å; F98-H141 HydrophobicContact CZ-CB 4.48Å; F98-H141 AromaticContact CZ-CD2 3.35Å; F98-H141 WeakPolarHBondContact CZ-CD2 3.49Å; F98-H141 AromaticContact CZ-NE2 3.96Å; I125-H141 HydrophobicContact CD1-CB 3.84Å; E137-H141 WeakPolarHBondContact O-CB 3.38Å; E137-H141 PolarHBondContact O-N 3.08Å; E137-H141 IonicContact OE1-CD2 3.58Å; E137-H141 IonicContact OE1-CE1 3.58Å; E137-H141 PolarHBondContact OE1-CE1 2.99Å; E137-H141 IonicContact OE1-ND1 3.47Å; E137-H141 IonicContact OE1-NE2 2.77Å; E137-H141 PolarHBondContact OE1-NE2 3.3Å; E137-H141 VanDerWaalsContact OE1-NE2 3.12Å; H141-A145 WeakPolarHBondContact O-CB 3.26Å; H141-A145 PolarHBondContact O-N 3.17Å
142R96.2Very high94.7Very high64 Ų6461.8 Ų61.824%0.24230%0.304CS..Hα-helixtrans-61.6-48.4176.8-177.5-179.562.2175.30111.6I125 D126 N138 V139 K140 R146I125-R142 HydrophobicContact CB-CB 4.16Å; I125-R142 HydrophobicContact CB-CG 4.46Å; I125-R142 HydrophobicContact CD1-CB 4.03Å; I125-R142 HydrophobicContact CG2-CB 3.84Å; I125-R142 HydrophobicContact CG2-CG 4.37Å; D126-R142 WeakPolarHBondContact OD1-CD 3.32Å; D126-R142 IonicContact OD1-CZ 3.41Å; D126-R142 IonicContact OD1-NE 3.31Å; D126-R142 IonicContact OD1-NH1 3.31Å; D126-R142 PolarHBondContact OD1-NH1 2.99Å; N138-R142 VanDerWaalsContact O-CB 3.26Å; N138-R142 WeakPolarHBondContact O-CB 3.35Å; N138-R142 PolarHBondContact O-N 2.8Å; V139-R142 PolarHBondContact O-N 2.97Å; K140-R142 VanDerWaalsContact C-N 3.32Å; K140-R142 PolarHBondContact O-N 2.9Å; R142-R146 WeakPolarHBondContact O-CB 3.47Å; R142-R146 PolarHBondContact O-N 3.08Å; R142-R146 VanDerWaalsContact O-N 3.07Å
143K95.4Very high94.8Very high95 Ų9564.1 Ų64.141%0.41330%0.304SS..Hα-helixtrans-61-50179.3-173.1176178.9-179.50110.4V139 K140 W147 N173V139-K143 PolarHBondContact O-N 3.21Å; K140-K143 PolarHBondContact O-N 3.14Å; K143-W147 WeakPolarHBondContact O-CB 3.36Å; K143-W147 PolarHBondContact O-N 3.16Å; K143-N173 PolarHBondContact NZ-O 2.82Å
144Y94.8Very high94.9Very high18 Ų1858.2 Ų58.27%0.07128%0.279CS..Hα-helixtrans-60.9-49.4179179-92.7000112.2F98 D102 F118 K140 R146 W147 K148 P166 I169F98-Y144 AromaticContact CE2-CD1 3.59Å; F98-Y144 HydrophobicContact CE2-CD1 3.59Å; F98-Y144 HydrophobicContact CE2-CE1 4.25Å; F98-Y144 AromaticContact CZ-CD1 3.49Å; F98-Y144 HydrophobicContact CZ-CD1 3.49Å; F98-Y144 VanDerWaalsContact CZ-CD1 3.49Å; F98-Y144 AromaticContact CZ-CE1 3.87Å; F98-Y144 HydrophobicContact CZ-CE1 3.87Å; F98-Y144 HydrophobicContact CZ-CG 4.39Å; D102-Y144 PolarHBondContact OD1-OH 3.35Å; D102-Y144 VanDerWaalsContact OD1-OH 3.05Å; F118-Y144 HydrophobicContact CE1-CD1 4.22Å; F118-Y144 AromaticContact CE1-CE1 3.85Å; F118-Y144 HydrophobicContact CE1-CE1 3.85Å; F118-Y144 AromaticContact CZ-CE1 3.98Å; F118-Y144 HydrophobicContact CZ-CE1 3.98Å; K140-Y144 WeakPolarHBondContact O-CB 3.4Å; K140-Y144 PolarHBondContact O-N 3.25Å; Y144-R146 PolarHBondContact O-N 2.96Å; Y144-W147 PolarHBondContact O-N 3.44Å; Y144-K148 HydrophobicContact CD1-CG 4.1Å; Y144-K148 HydrophobicContact CD2-CG 4.33Å; Y144-K148 HydrophobicContact CE1-CG 3.72Å; Y144-K148 HydrophobicContact CE2-CG 3.91Å; Y144-K148 HydrophobicContact CG-CG 4.43Å; Y144-K148 WeakPolarHBondContact O-CB 3.35Å; Y144-K148 PolarHBondContact O-N 3.06Å; Y144-K148 WeakPolarHBondContact OH-CE 3.23Å; Y144-P166 HydrophobicContact CE2-CB 4.34Å; Y144-P166 WeakPolarHBondContact OH-CA 3.1Å; Y144-I169 HydrophobicContact CD2-CD1 3.58Å; Y144-I169 HydrophobicContact CD2-CG1 4.22Å; Y144-I169 HydrophobicContact CG-CD1 4.2Å
145A96.6Very high94.9Very high0 Ų057 Ų570%027%0.272CS..Hα-helixtrans-63.4-41.8-176.900000112.2F98 F118 H141 A149F98-A145 HydrophobicContact CD2-CB 3.91Å; F98-A145 HydrophobicContact CE2-CB 3.94Å; F118-A145 HydrophobicContact CB-CB 4.35Å; F118-A145 HydrophobicContact CD1-CB 3.91Å; F118-A145 WeakPolarHBondContact O-CB 3.42Å; H141-A145 WeakPolarHBondContact O-CB 3.26Å; H141-A145 PolarHBondContact O-N 3.17Å; A145-A149 VanDerWaalsContact O-CB 3.26Å; A145-A149 WeakPolarHBondContact O-CB 3.38Å; A145-A149 PolarHBondContact O-N 2.89Å
146R95.9Very high94.9Very high92 Ų9257.2 Ų57.235%0.34727%0.271SS..Hα-helixtrans-64.7-44.5177.2-175.1170.1-70.7147.90.1111.6D126 R142 Y144 T150D126-R146 IonicContact OD1-NH2 3.8Å; D126-R146 IonicContact OD2-CZ 3.75Å; D126-R146 IonicContact OD2-NH2 2.9Å; D126-R146 PolarHBondContact OD2-NH2 3.27Å; R142-R146 WeakPolarHBondContact O-CB 3.47Å; R142-R146 PolarHBondContact O-N 3.08Å; R142-R146 VanDerWaalsContact O-N 3.07Å; Y144-R146 PolarHBondContact O-N 2.96Å; R146-T150 PolarHBondContact O-N 3.38Å; R146-T150 PolarHBondContact O-OG1 3.46Å
147W95.8Very high95.1Very high78 Ų7858.5 Ų58.530%0.29527%0.27SS..Hα-helixtrans-63.2-53.2176.2174.678.6000111.7K143 Y144 A149 T150 Y151 V167K143-W147 WeakPolarHBondContact O-CB 3.36Å; K143-W147 PolarHBondContact O-N 3.16Å; Y144-W147 PolarHBondContact O-N 3.44Å; W147-A149 PolarHBondContact O-N 2.87Å; W147-T150 PolarHBondContact O-N 3.28Å; W147-T150 VanDerWaalsContact O-N 3.16Å; W147-Y151 HydrophobicContact CH2-CD1 4.44Å; W147-Y151 HydrophobicContact CZ2-CG 4.3Å; W147-Y151 WeakPolarHBondContact O-CB 3.41Å; W147-Y151 PolarHBondContact O-N 2.85Å; W147-V167 HydrophobicContact CH2-CB 3.61Å; W147-V167 HydrophobicContact CH2-CG1 4Å; W147-V167 HydrophobicContact CH2-CG2 3.7Å; W147-V167 HydrophobicContact CZ3-CB 3.97Å; W147-V167 HydrophobicContact CZ3-CG2 4.22Å
148K94.7Very high95.2Very high0 Ų058.9 Ų58.90%028%0.275CS..Hα-helixtrans-58.7-44.4179.4-86.2-65.6-164.3156.90112.6D105 F118 Y144 T150 Y151 I152 Q163 G165D105-K148 IonicContact OD1-NZ 2.75Å; D105-K148 PolarHBondContact OD1-NZ 3.36Å; D105-K148 IonicContact OD2-NZ 2.7Å; D105-K148 PolarHBondContact OD2-NZ 2.94Å; F118-K148 HydrophobicContact CD2-CB 4.07Å; F118-K148 HydrophobicContact CE2-CB 4.02Å; F118-K148 HydrophobicContact CG-CB 4.42Å; F118-K148 HydrophobicContact CZ-CB 4.34Å; Y144-K148 HydrophobicContact CD1-CG 4.1Å; Y144-K148 HydrophobicContact CD2-CG 4.33Å; Y144-K148 HydrophobicContact CE1-CG 3.72Å; Y144-K148 HydrophobicContact CE2-CG 3.91Å; Y144-K148 HydrophobicContact CG-CG 4.43Å; Y144-K148 WeakPolarHBondContact O-CB 3.35Å; Y144-K148 PolarHBondContact O-N 3.06Å; Y144-K148 WeakPolarHBondContact OH-CE 3.23Å; K148-T150 VanDerWaalsContact C-N 3.28Å; K148-T150 PolarHBondContact O-N 3.01Å; K148-Y151 HydrophobicContact CD-CD1 4.46Å; K148-Y151 PolarHBondContact O-N 3.33Å; K148-I152 HydrophobicContact CB-CD1 4.47Å; K148-I152 HydrophobicContact CD-CD1 4.33Å; K148-I152 WeakPolarHBondContact O-CB 3.43Å; K148-I152 WeakPolarHBondContact O-CG1 3.13Å; K148-I152 PolarHBondContact O-N 3.36Å; K148-Q163 PolarHBondContact NZ-O 2.87Å; K148-G165 WeakPolarHBondContact CE-O 3.47Å; K148-G165 PolarHBondContact NZ-O 3.05Å
149A96.3Very high95.2Very high4 Ų461.4 Ų61.43%0.03331%0.306CS..Hα-helixtrans-57.6-43.3177.800000111.9I115 F118 A145 W147 H153I115-A149 HydrophobicContact CG2-CB 4.29Å; I115-A149 WeakPolarHBondContact CG2-O 3.41Å; F118-A149 HydrophobicContact CB-CB 3.9Å; A145-A149 VanDerWaalsContact O-CB 3.26Å; A145-A149 WeakPolarHBondContact O-CB 3.38Å; A145-A149 PolarHBondContact O-N 2.89Å; W147-A149 PolarHBondContact O-N 2.87Å; A149-H153 WeakPolarHBondContact O-CB 3.43Å; A149-H153 PolarHBondContact O-N 3.48Å; A149-H153 VanDerWaalsContact O-N 3.15Å
150T95.9Very high95.1Very high72 Ų7263.8 Ų63.844%0.44231%0.313SS..Hα-helixtrans-71.1-47.1-179.5-540000111.2R146 W147 K148 H153 N154R146-T150 PolarHBondContact O-N 3.38Å; R146-T150 PolarHBondContact O-OG1 3.46Å; W147-T150 PolarHBondContact O-N 3.28Å; W147-T150 VanDerWaalsContact O-N 3.16Å; K148-T150 VanDerWaalsContact C-N 3.28Å; K148-T150 PolarHBondContact O-N 3.01Å; T150-H153 PolarHBondContact O-N 3.11Å; T150-N154 WeakPolarHBondContact O-CB 3.47Å; T150-N154 VanDerWaalsContact O-CG 3.25Å; T150-N154 PolarHBondContact O-N 2.94Å; T150-N154 PolarHBondContact O-ND2 3.39Å
151Y95.2Very high94.9Very high64 Ų6464.1 Ų64.125%0.25133%0.325SS..Hα-helixtrans-57.1-54.6178.4169.4-110.9000111.8W147 K148 H153 N154 C155 P162 Q163W147-Y151 HydrophobicContact CH2-CD1 4.44Å; W147-Y151 HydrophobicContact CZ2-CG 4.3Å; W147-Y151 WeakPolarHBondContact O-CB 3.41Å; W147-Y151 PolarHBondContact O-N 2.85Å; K148-Y151 HydrophobicContact CD-CD1 4.46Å; K148-Y151 PolarHBondContact O-N 3.33Å; Y151-H153 VanDerWaalsContact C-N 3.31Å; Y151-H153 PolarHBondContact O-N 3.44Å; Y151-N154 PolarHBondContact O-N 2.83Å; Y151-N154 VanDerWaalsContact O-N 3.17Å; Y151-C155 WeakPolarHBondContact CE2-SG 3.48Å; Y151-C155 PolarHBondContact O-N 3.21Å; Y151-C155 PolarHBondContact O-SG 2.99Å; Y151-P162 HydrophobicContact CD1-CB 4.45Å; Y151-P162 HydrophobicContact CE1-CB 3.74Å; Y151-Q163 PolarHBondContact OH-N 3.26Å
152I95.1Very high94.7Very high0 Ų062.9 Ų62.90%032%0.319CS..Hα-helixtrans-63.2-40.6-178.6-61.7169.7000110.4D105 F110 M114 I115 F118 K148 N154 C155 L156 P162D105-I152 WeakPolarHBondContact OD1-CD1 3.26Å; F110-I152 HydrophobicContact CB-CG2 4.12Å; F110-I152 HydrophobicContact CD1-CD1 4.09Å; F110-I152 HydrophobicContact CD1-CG1 4.24Å; F110-I152 HydrophobicContact CD1-CG2 3.78Å; F110-I152 HydrophobicContact CE1-CD1 4.19Å; F110-I152 HydrophobicContact CE1-CG1 4.36Å; F110-I152 HydrophobicContact CG-CG2 4.28Å; M114-I152 HydrophobicContact CE-CD1 3.59Å; M114-I152 HydrophobicContact SD-CD1 3.74Å; M114-I152 HydrophobicContact SD-CG2 4.1Å; I115-I152 HydrophobicContact CD1-CB 4.47Å; I115-I152 HydrophobicContact CD1-CG2 3.84Å; I115-I152 HydrophobicContact CG1-CB 4.17Å; I115-I152 HydrophobicContact CG1-CG2 3.73Å; F118-I152 HydrophobicContact CD2-CD1 4.44Å; F118-I152 HydrophobicContact CE2-CD1 4.24Å; K148-I152 HydrophobicContact CB-CD1 4.47Å; K148-I152 HydrophobicContact CD-CD1 4.33Å; K148-I152 WeakPolarHBondContact O-CB 3.43Å; K148-I152 WeakPolarHBondContact O-CG1 3.13Å; K148-I152 PolarHBondContact O-N 3.36Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 2.89Å; I152-C155 PolarHBondContact O-N 3.46Å; I152-L156 HydrophobicContact CG2-CD1 4.26Å; I152-L156 HydrophobicContact CG2-CG 4.37Å; I152-L156 VanDerWaalsContact O-CG 3.32Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 2.88Å; I152-P162 HydrophobicContact CB-CG 4.43Å; I152-P162 HydrophobicContact CG1-CB 4.2Å; I152-P162 HydrophobicContact CG1-CG 4.45Å; I152-P162 HydrophobicContact CG2-CG 3.99Å
153H96.3Very high94.4Very high91 Ų9165.8 Ų65.842%0.42134%0.336SS..Hα-helixtrans-58.9-46175.9-177.586.7000112.1I115 A149 T150 Y151 L156 K157I115-H153 HydrophobicContact CD1-CB 4.33Å; I115-H153 HydrophobicContact CG2-CB 4.28Å; A149-H153 WeakPolarHBondContact O-CB 3.43Å; A149-H153 PolarHBondContact O-N 3.48Å; A149-H153 VanDerWaalsContact O-N 3.15Å; T150-H153 PolarHBondContact O-N 3.11Å; Y151-H153 VanDerWaalsContact C-N 3.31Å; Y151-H153 PolarHBondContact O-N 3.44Å; H153-L156 PolarHBondContact O-N 2.71Å; H153-K157 VanDerWaalsContact O-CB 3.3Å; H153-K157 WeakPolarHBondContact O-CB 3.44Å; H153-K157 PolarHBondContact O-N 2.96Å
154N95.6Very high94Very high74 Ų7463.6 Ų63.640%0.39634%0.336SS..Hα-helixtrans-66.7-44.1-179-71.4-14.4000111.9T150 Y151 I152 L156 K157 N158T150-N154 WeakPolarHBondContact O-CB 3.47Å; T150-N154 VanDerWaalsContact O-CG 3.25Å; T150-N154 PolarHBondContact O-N 2.94Å; T150-N154 PolarHBondContact O-ND2 3.39Å; Y151-N154 PolarHBondContact O-N 2.83Å; Y151-N154 VanDerWaalsContact O-N 3.17Å; I152-N154 VanDerWaalsContact C-N 3.34Å; I152-N154 PolarHBondContact O-N 2.89Å; N154-L156 PolarHBondContact O-N 2.96Å; N154-K157 PolarHBondContact O-N 3.2Å; N154-N158 WeakPolarHBondContact O-CB 3.31Å; N154-N158 VanDerWaalsContact O-CG 3.28Å; N154-N158 PolarHBondContact O-N 3.32Å
155C94.6Very high93.1Very high6 Ų663.2 Ų63.24%0.04134%0.337CS..Hα-helixtrans-58.1-49.9175-71.30000111.3Y151 I152 K157 N158 G159 E160 P162Y151-C155 WeakPolarHBondContact CE2-SG 3.48Å; Y151-C155 PolarHBondContact O-N 3.21Å; Y151-C155 PolarHBondContact O-SG 2.99Å; I152-C155 PolarHBondContact O-N 3.46Å; C155-K157 VanDerWaalsContact C-N 3.29Å; C155-K157 PolarHBondContact O-N 2.97Å; C155-N158 CarbonylContact O-C 3.48Å; C155-N158 PolarHBondContact O-N 3.1Å; C155-N158 VanDerWaalsContact O-N 3.13Å; C155-G159 PolarHBondContact O-N 3.3Å; C155-E160 CarbonylContact C-O 3.55Å; C155-E160 VanDerWaalsContact C-O 3.32Å; C155-E160 HydrophobicContact CB-CB 4.12Å; C155-E160 PolarHBondContact O-N 3.28Å; C155-P162 HydrophobicContact CB-CB 4.19Å; C155-P162 HydrophobicContact CB-CG 3.71Å
156L93.9Very high92Very high77 Ų7766.4 Ų66.440%0.40336%0.358SS..Hα-helixtrans-63.7-33.4178.5-67.1-173.4000113.1F110 I115 I152 H153 N154 N158 P162F110-L156 HydrophobicContact CB-CD1 4.25Å; F110-L156 HydrophobicContact CB-CD2 4.07Å; F110-L156 HydrophobicContact CB-CG 4.49Å; I115-L156 HydrophobicContact CD1-CD1 3.89Å; I152-L156 HydrophobicContact CG2-CD1 4.26Å; I152-L156 HydrophobicContact CG2-CG 4.37Å; I152-L156 VanDerWaalsContact O-CG 3.32Å; I152-L156 WeakPolarHBondContact O-CG 3.41Å; I152-L156 PolarHBondContact O-N 2.88Å; H153-L156 PolarHBondContact O-N 2.71Å; N154-L156 PolarHBondContact O-N 2.96Å; L156-N158 VanDerWaalsContact C-N 3.35Å; L156-P162 HydrophobicContact CD2-CG 4.49Å
157K95.4Very high90.3Very high159 Ų15964.1 Ų64.169%0.69135%0.354SS*.Hα-helixtrans-69-34.8176-176-178.2175.6-172.10112H153 N154 C155H153-K157 VanDerWaalsContact O-CB 3.3Å; H153-K157 WeakPolarHBondContact O-CB 3.44Å; H153-K157 PolarHBondContact O-N 2.96Å; N154-K157 PolarHBondContact O-N 3.2Å; C155-K157 VanDerWaalsContact C-N 3.29Å; C155-K157 PolarHBondContact O-N 2.97Å
158N95.1Very high88.3Confident109 Ų10963.2 Ų63.258%0.58337%0.369SS*.Hα-helixtrans-91.4-3.5-178.2-64.5-3.9000113.3N154 C155 L156 E160N154-N158 WeakPolarHBondContact O-CB 3.31Å; N154-N158 VanDerWaalsContact O-CG 3.28Å; N154-N158 PolarHBondContact O-N 3.32Å; C155-N158 CarbonylContact O-C 3.48Å; C155-N158 PolarHBondContact O-N 3.1Å; C155-N158 VanDerWaalsContact O-N 3.13Å; L156-N158 VanDerWaalsContact C-N 3.35Å; N158-E160 VanDerWaalsContact C-N 3.32Å; N158-E160 HydrophobicContact CB-CG 4.32Å
159G92.5Very high86.3Confident71 Ų7166.6 Ų66.673%0.73239%0.386SS*.THydrogen-bonded Turntrans78.514.7-177.100000114.2C155C155-G159 PolarHBondContact O-N 3.3Å
160E93.6Very high83.7Confident113 Ų11374.2 Ų74.253%0.52842%0.421SS..PPolyproline II helixtrans-89.1147176.1-62.9172.5177.500110.4C155 N158 P162C155-E160 CarbonylContact C-O 3.55Å; C155-E160 VanDerWaalsContact C-O 3.32Å; C155-E160 HydrophobicContact CB-CB 4.12Å; C155-E160 PolarHBondContact O-N 3.28Å; N158-E160 VanDerWaalsContact C-N 3.32Å; N158-E160 HydrophobicContact CB-CG 4.32Å; E160-P162 WeakPolarHBondContact O-CD 3.42Å
161T88.9Confident81.2Confident127 Ų12779.7 Ų79.778%0.77944%0.441SS*.PPolyproline II helixtrans-87.8118.3174.8-57.20000109.2
162P91.2Very high78.4Confident6 Ų683.7 Ų83.74%0.03947%0.467CS..PPolyproline II helixtrans-63.6151.5177.5-9.319.4000111.9F110 Y151 I152 C155 L156 E160F110-P162 HydrophobicContact CB-CG 4.25Å; F110-P162 HydrophobicContact CD1-CB 4.1Å; F110-P162 HydrophobicContact CD1-CG 3.84Å; F110-P162 HydrophobicContact CD2-CB 4.27Å; F110-P162 HydrophobicContact CD2-CG 3.76Å; F110-P162 HydrophobicContact CE1-CB 3.81Å; F110-P162 HydrophobicContact CE1-CG 4.08Å; F110-P162 HydrophobicContact CE2-CB 3.99Å; F110-P162 HydrophobicContact CE2-CG 3.99Å; F110-P162 WeakPolarHBondContact CE2-O 3.49Å; F110-P162 HydrophobicContact CG-CB 4.31Å; F110-P162 HydrophobicContact CG-CG 3.67Å; F110-P162 HydrophobicContact CZ-CB 3.75Å; F110-P162 HydrophobicContact CZ-CG 4.14Å; F110-P162 WeakPolarHBondContact CZ-O 3.28Å; Y151-P162 HydrophobicContact CD1-CB 4.45Å; Y151-P162 HydrophobicContact CE1-CB 3.74Å; I152-P162 HydrophobicContact CB-CG 4.43Å; I152-P162 HydrophobicContact CG1-CB 4.2Å; I152-P162 HydrophobicContact CG1-CG 4.45Å; I152-P162 HydrophobicContact CG2-CG 3.99Å; C155-P162 HydrophobicContact CB-CB 4.19Å; C155-P162 HydrophobicContact CB-CG 3.71Å; L156-P162 HydrophobicContact CD2-CG 4.49Å; E160-P162 WeakPolarHBondContact O-CD 3.42Å
163Q88.8Confident75.5Confident126 Ų12689.4 Ų89.459%0.58950%0.498SS*.PPolyproline II helixtrans-76.7126.3172.5-173.1173.8-8.100111.1K148 Y151K148-Q163 PolarHBondContact NZ-O 2.87Å; Y151-Q163 PolarHBondContact OH-N 3.26Å
164A88.5Confident72.8Confident49 Ų4992.2 Ų92.241%0.40552%0.516SS..PPolyproline II helixtrans-75.4148.7179.500000112.8D105 F110D105-A164 WeakPolarHBondContact O-CA 3.17Å; D105-A164 VanDerWaalsContact O-CB 3.23Å; D105-A164 WeakPolarHBondContact O-CB 3.33Å; F110-A164 HydrophobicContact CZ-CB 4.22Å
165G76.2Confident70.3Confident10 Ų1093.2 Ų93.210%0.10352%0.52CS..SBendtrans87.9173.5175.300000113.6D105 K148 V167D105-G165 VanDerWaalsContact OD2-CA 3.31Å; D105-G165 WeakPolarHBondContact OD2-CA 3.41Å; D105-G165 PolarHBondContact OD2-N 2.89Å; D105-G165 VanDerWaalsContact OD2-O 3.11Å; K148-G165 WeakPolarHBondContact CE-O 3.47Å; K148-G165 PolarHBondContact NZ-O 3.05Å; G165-V167 PolarHBondContact O-N 3.12Å
166P72.4Confident67.4Low67 Ų67100.5 Ų100.544%0.43555%0.554SS.*  trans-64.6104.9175.227.8-32.9000107.7Y144 G168Y144-P166 HydrophobicContact CE2-CB 4.34Å; Y144-P166 WeakPolarHBondContact OH-CA 3.1Å; P166-G168 PolarHBondContact O-N 3.34Å; P166-G168 VanDerWaalsContact O-N 3.17Å
167V59.5Low64.7Low43 Ų43105.1 Ų105.126%0.26157%0.573SS.*  trans-61.6120.6162.8-179.20000104.1W147 G165 I169W147-V167 HydrophobicContact CH2-CB 3.61Å; W147-V167 HydrophobicContact CH2-CG1 4Å; W147-V167 HydrophobicContact CH2-CG2 3.7Å; W147-V167 HydrophobicContact CZ3-CB 3.97Å; W147-V167 HydrophobicContact CZ3-CG2 4.22Å; G165-V167 PolarHBondContact O-N 3.12Å; V167-I169 VanDerWaalsContact C-N 3.31Å; V167-I169 PolarHBondContact O-N 3.19Å
168G55.5Low61.5Low59 Ų59103.7 Ų103.761%0.60857%0.573SS**  trans-51.6103.3176.800000107.2P166 E170P166-G168 PolarHBondContact O-N 3.34Å; P166-G168 VanDerWaalsContact O-N 3.17Å; G168-E170 PolarHBondContact O-N 3.29Å
169I52.6Low58.9Low72 Ų72107.3 Ų107.337%0.36959%0.587SS.*  trans-72.673.8160-47.5172.1000102.4Y144 V167 E171Y144-I169 HydrophobicContact CD2-CD1 3.58Å; Y144-I169 HydrophobicContact CD2-CG1 4.22Å; Y144-I169 HydrophobicContact CG-CD1 4.2Å; V167-I169 VanDerWaalsContact C-N 3.31Å; V167-I169 PolarHBondContact O-N 3.19Å; I169-E171 PolarHBondContact O-N 3.42Å
170E41.9Very low56.3Low164 Ų164110.3 Ų110.377%0.76659%0.586SS**  trans-51.4132.8163.7-68.1-176.217400105.4G168 D172G168-E170 PolarHBondContact O-N 3.29Å; E170-D172 PolarHBondContact O-N 2.84Å
171E42.2Very low53.7Low186 Ų186109.7 Ų109.787%0.86960%0.6SS**THydrogen-bonded Turntrans-64.418.2-161.8-65.6177.6142.800114.6I169I169-E171 PolarHBondContact O-N 3.42Å
172D36Very low50.9Low148 Ų148106 Ų10679%0.79159%0.587SS**THydrogen-bonded Turntrans-13120.9-164.2-142.320.5000114.6E170E170-D172 PolarHBondContact O-N 2.84Å
173N35.6Very low48.4Very low120 Ų120108.5 Ų108.564%0.64261%0.608SS**  trans-109.598.2161.4-88.4-41.7000110K143 I175K143-N173 PolarHBondContact NZ-O 2.82Å; N173-I175 HydrophobicContact CB-CG1 4.36Å; N173-I175 PolarHBondContact O-N 3.19Å
174D38.9Very low45.6Very low151 Ų151107.1 Ų107.181%0.80762%0.619SS**  trans-4980.4142-71.6-39000108.2E176D174-E176 PolarHBondContact O-N 3.18Å
175I42.1Very low42.8Very low95 Ų95109.5 Ų109.549%0.48763%0.632SS.*  trans-65.995.7160-59.2174.8000103.3N173 E177N173-I175 HydrophobicContact CB-CG1 4.36Å; N173-I175 PolarHBondContact O-N 3.19Å; I175-E177 PolarHBondContact O-N 3.4Å
176E34.9Very low40.8Very low159 Ų159116.3 Ų116.374%0.74367%0.665SS**  trans-40.5118.6170.5-67.6-177161.500108.1D174 N178D174-E176 PolarHBondContact O-N 3.18Å; E176-N178 PolarHBondContact O-N 3.24Å
177E36.3Very low39.2Very low174 Ų174118.8 Ų118.881%0.81368%0.682SS**  trans-60.586.7167.9-79.8-177.2147.900107.8I175 E179I175-E177 PolarHBondContact O-N 3.4Å; E177-E179 HydrophobicContact CB-CG 4.45Å; E177-E179 PolarHBondContact O-N 3.38Å
178N29.7Very low37.9Very low129 Ų129123.1 Ų123.169%0.6971%0.708SS**  trans-73.590.1155.1-99-59.3000106.6E176 D180E176-N178 PolarHBondContact O-N 3.24Å; N178-D180 PolarHBondContact O-N 2.9Å
179E39Very low36.9Very low184 Ų184128.9 Ų128.986%0.8672%0.719SS**  trans-63.521.2166.4-70.7-161.2124.300113.5E177E177-E179 HydrophobicContact CB-CG 4.45Å; E177-E179 PolarHBondContact O-N 3.38Å
180D39Very low36Very low135 Ų135130.7 Ų130.772%0.72274%0.736SS**  trans-12955.1175.8-165.541.8000112.2N178 G182N178-D180 PolarHBondContact O-N 2.9Å; D180-G182 PolarHBondContact O-N 2.9Å
181A37.8Very low35.4Very low100 Ų100129.2 Ų129.283%0.82674%0.738SS**  trans-84.472.9157.100000109A183A181-A183 PolarHBondContact O-N 3.41Å
182G31.9Very low35Very low48 Ų48128.4 Ų128.450%0.49573%0.734SS.*  trans-49.7120.7170.200000112.3D180 A184D180-G182 PolarHBondContact O-N 2.9Å; G182-A184 PolarHBondContact O-N 2.85Å
183A37.9Very low34.9Very low59 Ų59127.3 Ų127.349%0.48874%0.735SS.*  trans34.387.614400000117.1A181 S185A181-A183 PolarHBondContact O-N 3.41Å; A183-S185 VanDerWaalsContact C-N 3.28Å; A183-S185 PolarHBondContact O-N 3Å; A183-S185 VanDerWaalsContact O-N 3.12Å
184A29.3Very low34.7Very low98 Ų98126.3 Ų126.381%0.8174%0.737SS**  trans-79.284.4150.900000108.9G182 L186G182-A184 PolarHBondContact O-N 2.85Å; A184-L186 PolarHBondContact O-N 3.02Å
185S29.5Very low34.4Very low98 Ų98125.1 Ų125.169%0.68574%0.741SS**  trans-56.6123.5163.6-58.50000108.8A183 P187A183-S185 VanDerWaalsContact C-N 3.28Å; A183-S185 PolarHBondContact O-N 3Å; A183-S185 VanDerWaalsContact O-N 3.12Å; S185-P187 VanDerWaalsContact O-CD 3.24Å; S185-P187 WeakPolarHBondContact O-CD 3.29Å
186L35.5Very low33.9Very low153 Ų153125.6 Ų125.680%0.80175%0.753SS**  trans-76112.7156.2-77.4156.7000106.2A184A184-L186 PolarHBondContact O-N 3.02Å
187P37.7Very low33.8Very low120 Ų120123.8 Ų123.878%0.77976%0.758SS**PPolyproline II helixtrans-83.8128.6176.2-4.824.8000109.9S185S185-P187 VanDerWaalsContact O-CD 3.24Å; S185-P187 WeakPolarHBondContact O-CD 3.29Å
188T31.5Very low33.7Very low133 Ų133121.7 Ų121.782%0.81676%0.757SS**PPolyproline II helixtrans-58.5139.7160.3-41.20000110
189Q35.4Very low34Very low180 Ų180126.5 Ų126.584%0.84177%0.767SS**PPolyproline II helixtrans-55.9144175.2-164.9179.124.100112.3
190P32.8Very low33.7Very low110 Ų110124.5 Ų124.571%0.71476%0.762SS**  -141141.4124.119.22.6000115.1
191T30.6Very low33.5Very low134 Ų134123.4 Ų123.482%0.82276%0.763SS**  trans35.8124.1148.421.80000122.8
192Q33Very low33.5Very low169 Ų169123.7 Ų123.779%0.7976%0.759SS**  trans-49.2160.3162.8-107.2-173.2-18.700115.4
193P33.6Very low33.8Very low125 Ų125129 Ų12981%0.81278%0.776SS**  -136.5139.688.324.8-4.4000116.7
194S31.9Very low33.9Very low98 Ų98133.9 Ų133.969%0.68579%0.79SS**  trans5.3131.9152.1-41.60000121.7
195S32.2Very low34.2Very low126 Ų126135 Ų13588%0.88179%0.789SS**  -147.5147.8129.652.20000111.7
196S32.2Very low34.5Very low106 Ų106135 Ų13574%0.74179%0.79SS**  trans-69.3141.6-16146.60000116.1
197S32.4Very low34.3Very low121 Ų121131.3 Ų131.385%0.84679%0.788SS**  trans-147.2120146.5-73.80000110.2
198T34.5Very low34.1Very low130 Ų130132.6 Ų132.680%0.79879%0.788SS**  trans-67.2124.3-177.4-43.60000111.1
199Y35.3Very low34.2Very low229 Ų229136.9 Ų136.990%0.89879%0.791SS**  trans-140.7127153.2-89.6-79.9000109.8
200D33Very low34.3Very low142 Ų142134.7 Ų134.776%0.75979%0.79SS**  trans-69.8137179.5-17215.7000111.1
201P35.9Very low34.4Very low112 Ų112132.6 Ų132.673%0.72779%0.789SS**  trans-96.2126.7-177.634.4-26.4000111
202S37.3Very low34.6Very low106 Ų106133.8 Ų133.874%0.74179%0.788SS**  trans-150.8131.7166-71.80000111.3
203N37.6Very low34.6Very low159 Ų159134.5 Ų134.585%0.8579%0.792SS**  trans82.785.9172.6-78.211.5000119.4
204M40.2Very low35.1Very low162 Ų162136.1 Ų136.180%0.79879%0.792SS**  trans-68.8152134.5-131.7-161.1-142.100109.3
205P36.9Very low35.5Very low122 Ų122136.8 Ų136.879%0.79279%0.794SS**  -130142113.528.8-16.5000112.7
206S34.6Very low35.9Very low99 Ų99137 Ų13769%0.69279%0.793SS**  trans-63.4137168.7-46.40000111
207G31.9Very low36.4Very low74 Ų74135.3 Ų135.376%0.76379%0.792SS**  trans-129.588.5168.200000110.1
208N33.5Very low36.4Very low147 Ų147134.4 Ų134.479%0.78679%0.792SS**  trans-70.3121.9161-92.434.2000108.6
209Y33.6Very low36.7Very low223 Ų223136.9 Ų136.988%0.87579%0.794SS**  trans-135.696155.2-99.6-88.7000110
210T37.8Very low36.7Very low134 Ų134130.2 Ų130.282%0.82279%0.786SS**  trans-72.4128.9150.643.20000108.9
211G34.3Very low37Very low66 Ų66128.7 Ų128.768%0.6878%0.784SS**  trans128.378.3160.700000115.3
212I34.3Very low36.8Very low160 Ų160127.9 Ų127.982%0.82179%0.786SS**  trans-121.3110147.5-73.988.9000107.2
213Q34.3Very low36.7Very low184 Ų184130.1 Ų130.186%0.8679%0.79SS**  trans-61.8133165.2-85162.3-55.600109.6P215Q213-P215 VanDerWaalsContact O-CD 3.27Å; Q213-P215 WeakPolarHBondContact O-CD 3.35Å
214I43.6Very low36.6Very low158 Ų158128.3 Ų128.381%0.8179%0.785SS**  trans-83.4114.3169.7-58.4165.2000107
215P40.2Very low36.5Very low112 Ų112125.9 Ų125.973%0.72778%0.781SS**  trans-73.7135166.227.7-30.1000110Q213Q213-P215 VanDerWaalsContact O-CD 3.27Å; Q213-P215 WeakPolarHBondContact O-CD 3.35Å
216P39.9Very low36.4Very low132 Ų132124.4 Ų124.486%0.85778%0.779SS**SBendtrans-81.3127179.731.2-30.1000110.2
217G44.3Very low36.2Very low70 Ų70128 Ų12872%0.72279%0.785SS**  trans125.577.7167.500000114.6
218A32.3Very low36.6Very low102 Ų102130 Ų13084%0.84378%0.782SS**  trans-146.9111.3152.200000107.8
219H38.9Very low36.7Very low182 Ų182128.7 Ų128.784%0.84378%0.782SS**  trans-70.3131.4-168.9-68-99.1000112
220A35.5Very low36.9Very low88 Ų88127 Ų12773%0.72778%0.781SS**  -75.3149.2129.800000107.1
221P40.7Very low37.1Very low111 Ų111125.4 Ų125.472%0.72178%0.776SS**  cis-135.5159.332.337.7-19.6000115
222A31.5Very low37.3Very low94 Ų94126.9 Ų126.978%0.77777%0.772SS**  trans-125.256.4153.600000109.1T224A222-T224 PolarHBondContact O-N 3.05Å
223N35.5Very low37.8Very low153 Ų153122.2 Ų122.282%0.81876%0.763SS**  trans-83.180.4146.1-87.9-21.4000106P225N223-P225 WeakPolarHBondContact O-CD 3.42Å
224T34.9Very low38.7Very low122 Ų122121.8 Ų121.875%0.74877%0.767SS**  trans-92.8107.7151.540.50000105.7A222 A226A222-T224 PolarHBondContact O-N 3.05Å; T224-A226 PolarHBondContact O-N 3.39Å
225P37.6Very low39.4Very low110 Ų110116.6 Ų116.671%0.71474%0.743SS**  trans-52.9129.5154.8-13.627.6000106.1N223 E227N223-P225 WeakPolarHBondContact O-CD 3.42Å; P225-E227 VanDerWaalsContact C-N 3.33Å; P225-E227 PolarHBondContact O-N 3.43Å
226A34.9Very low40.8Very low92 Ų92122.6 Ų122.676%0.7675%0.751SS**  trans-56.1111.1156.900000105.7T224 V228T224-A226 PolarHBondContact O-N 3.39Å; A226-V228 PolarHBondContact O-N 2.91Å
227E31.6Very low42.6Very low175 Ų175118.3 Ų118.382%0.81872%0.72SS**  trans-66.387.3179.7-166.8173.2174.500107.8P225P225-E227 VanDerWaalsContact C-N 3.33Å; P225-E227 PolarHBondContact O-N 3.43Å
228V40.3Very low44.5Very low114 Ų114117.5 Ų117.569%0.69170%0.702SS**  trans-67.2128.2152.1-103.70000106.2A226 H230A226-V228 PolarHBondContact O-N 2.91Å; V228-H230 PolarHBondContact O-N 2.95Å; V228-H230 PolarHBondContact O-ND1 3.48Å
229P34.3Very low46.7Very low120 Ų120118 Ų11878%0.77970%0.696SS**  trans-56.5117.6-172.213.6-23.2000110.7S231P229-S231 PolarHBondContact O-N 3.31Å; P229-S231 VanDerWaalsContact O-N 3.16Å
230H39.3Very low48.8Very low187 Ų187115.8 Ų115.887%0.86669%0.686SS**  trans-72.4101.9170.7-80.266.7000109.2V228V228-H230 PolarHBondContact O-N 2.95Å; V228-H230 PolarHBondContact O-ND1 3.48Å
231S40.4Very low51.2Low101 Ų101112.2 Ų112.271%0.70666%0.655SS**  trans-150.3103154.3-179.40000103.9P229P229-S231 PolarHBondContact O-N 3.31Å; P229-S231 VanDerWaalsContact O-N 3.16Å
232T40.2Very low53.4Low97 Ų97112.2 Ų112.260%0.59564%0.644SS**  -163.9150.183.638.70000111.4
233G44Very low56.1Low63 Ų63110.5 Ų110.565%0.64963%0.629SS**  trans-59.6161-166.500000117.5V235G233-V235 WeakPolarHBondContact O-CG2 3.26Å; G233-V235 PolarHBondContact O-N 3.49Å
234D52.2Low58.6Low174 Ų174107.6 Ų107.693%0.9361%0.607SS**  trans-16.480.4169.9-141.64.3000114.9R236D234-R236 PolarHBondContact O-N 3.03Å
235V59.3Low61.3Low50 Ų50102 Ų10230%0.30357%0.574SS.*  trans-83.3103.9177.1-179.90000107.8G233 L237 T276 G278G233-V235 WeakPolarHBondContact O-CG2 3.26Å; G233-V235 PolarHBondContact O-N 3.49Å; V235-L237 HydrophobicContact CG1-CD2 3.75Å; V235-L237 HydrophobicContact CG1-CG 4.1Å; V235-L237 PolarHBondContact O-N 2.68Å; V235-L237 VanDerWaalsContact O-N 3.13Å; V235-T276 WeakPolarHBondContact CG2-O 3.4Å; V235-G278 VanDerWaalsContact CG1-CA 3.44Å; V235-G278 VanDerWaalsContact CG1-N 3.32Å
236R69.4Low63.9Low237 Ų237103.5 Ų103.589%0.89457%0.571SS**  trans-80.491.6173.6-163.4178.2176.8-161.4-2109.8D234D234-R236 PolarHBondContact O-N 3.03Å
237L77.4Confident66.8Low42 Ų42104.5 Ų104.522%0.2256%0.558CS.*  trans-68.5134177.3-63.4170.4000111.1V235 D241 F242 L274 L275V235-L237 HydrophobicContact CG1-CD2 3.75Å; V235-L237 HydrophobicContact CG1-CG 4.1Å; V235-L237 PolarHBondContact O-N 2.68Å; V235-L237 VanDerWaalsContact O-N 3.13Å; L237-D241 HydrophobicContact CB-CB 4.4Å; L237-D241 HydrophobicContact CD2-CB 4.11Å; L237-F242 HydrophobicContact CB-CD2 4.31Å; L237-F242 HydrophobicContact CB-CE2 3.58Å; L237-F242 HydrophobicContact CB-CZ 3.91Å; L237-F242 HydrophobicContact CD1-CE1 4.18Å; L237-F242 HydrophobicContact CD1-CE2 4.3Å; L237-F242 HydrophobicContact CD1-CZ 3.76Å; L237-L274 WeakPolarHBondContact CD2-O 3.03Å; L237-L275 HydrophobicContact CD1-CD2 4.08Å
238T84.3Confident69.8Low54 Ų5498 Ų9833%0.33153%0.526SS..  trans-88161.2174.273.40000110.8E240 D241 F242T238-E240 PolarHBondContact O-N 3.15Å; T238-E240 VanDerWaalsContact O-N 3.1Å; T238-E240 PolarHBondContact OG1-N 3.16Å; T238-D241 PolarHBondContact N-OD2 2.87Å; T238-D241 WeakPolarHBondContact O-CB 3.11Å; T238-D241 PolarHBondContact O-N 3.44Å; T238-D241 PolarHBondContact OG1-N 3.23Å; T238-D241 PolarHBondContact OG1-OD2 3.43Å; T238-F242 VanDerWaalsContact O-CD2 3.25Å; T238-F242 WeakPolarHBondContact O-CD2 3.36Å; T238-F242 PolarHBondContact O-N 3.3Å
239P79.2Confident72.4Confident112 Ų11295.7 Ų95.773%0.72751%0.514SS*.Hα-helixtrans-54.1-28.5171.8-26.735.8000113.6F242 A243P239-F242 PolarHBondContact O-N 3.32Å; P239-A243 PolarHBondContact O-N 3.44Å
240E82.6Confident75.2Confident136 Ų13697.1 Ų97.164%0.63651%0.509SS*.Hα-helixtrans-72.2-32.5177.1-63.6154.217800111.9T238 R244T238-E240 PolarHBondContact O-N 3.15Å; T238-E240 VanDerWaalsContact O-N 3.1Å; T238-E240 PolarHBondContact OG1-N 3.16Å; E240-R244 WeakPolarHBondContact O-CB 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.32Å; E240-R244 PolarHBondContact O-N 3.46Å; E240-R244 PolarHBondContact O-NE 3.09Å
241D86.7Confident77.9Confident12 Ų1293.6 Ų93.66%0.06449%0.488CS..Hα-helixtrans-67.4-40.9173.5-60-33000110.9L237 T238 R244 A245 L274L237-D241 HydrophobicContact CB-CB 4.4Å; L237-D241 HydrophobicContact CD2-CB 4.11Å; T238-D241 PolarHBondContact N-OD2 2.87Å; T238-D241 WeakPolarHBondContact O-CB 3.11Å; T238-D241 PolarHBondContact O-N 3.44Å; T238-D241 PolarHBondContact OG1-N 3.23Å; T238-D241 PolarHBondContact OG1-OD2 3.43Å; D241-R244 PolarHBondContact O-N 3.02Å; D241-R244 IonicContact OD1-CZ 2.71Å; D241-R244 IonicContact OD1-NE 3.12Å; D241-R244 IonicContact OD1-NH2 3.89Å; D241-R244 PolarHBondContact OD1-NH2 2.72Å; D241-A245 WeakPolarHBondContact O-CB 3.29Å; D241-A245 PolarHBondContact O-N 3.09Å; D241-L274 HydrophobicContact CB-CD1 4.45Å; D241-L274 HydrophobicContact CB-CG 4.47Å; D241-L274 WeakPolarHBondContact O-CD2 3.3Å
242F85.2Confident80.5Confident112 Ų11288.9 Ų88.949%0.49146%0.455SS..Hα-helixtrans-64.1-45.3174.5-73.2-75.3000112.1L237 T238 P239 R244 A245 Q246 L275L237-F242 HydrophobicContact CB-CD2 4.31Å; L237-F242 HydrophobicContact CB-CE2 3.58Å; L237-F242 HydrophobicContact CB-CZ 3.91Å; L237-F242 HydrophobicContact CD1-CE1 4.18Å; L237-F242 HydrophobicContact CD1-CE2 4.3Å; L237-F242 HydrophobicContact CD1-CZ 3.76Å; T238-F242 VanDerWaalsContact O-CD2 3.25Å; T238-F242 WeakPolarHBondContact O-CD2 3.36Å; T238-F242 PolarHBondContact O-N 3.3Å; P239-F242 PolarHBondContact O-N 3.32Å; F242-R244 VanDerWaalsContact C-N 3.27Å; F242-R244 PolarHBondContact O-N 3.44Å; F242-A245 PolarHBondContact O-N 3.39Å; F242-Q246 WeakPolarHBondContact O-CB 3.34Å; F242-Q246 PolarHBondContact O-N 3.45Å; F242-L275 HydrophobicContact CD1-CD2 4.37Å; F242-L275 HydrophobicContact CE1-CD2 4.32Å
243A88.2Confident82.9Confident57 Ų5786.1 Ų86.147%0.47145%0.447SS..Hα-helixtrans-60.4-37.7176.200000112.1P239 K247P239-A243 PolarHBondContact O-N 3.44Å; A243-K247 PolarHBondContact O-N 3.2Å; A243-K247 VanDerWaalsContact O-N 3.1Å
244R88.8Confident85.3Confident92 Ų9286 Ų8635%0.34744%0.436SS..Hα-helixtrans-70.6-43.5175.5-77.3-173.7-72177.1-9.3112.8E240 D241 F242 Q246 K247 Y248 L274 E280E240-R244 WeakPolarHBondContact O-CB 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.32Å; E240-R244 PolarHBondContact O-N 3.46Å; E240-R244 PolarHBondContact O-NE 3.09Å; D241-R244 PolarHBondContact O-N 3.02Å; D241-R244 IonicContact OD1-CZ 2.71Å; D241-R244 IonicContact OD1-NE 3.12Å; D241-R244 IonicContact OD1-NH2 3.89Å; D241-R244 PolarHBondContact OD1-NH2 2.72Å; F242-R244 VanDerWaalsContact C-N 3.27Å; F242-R244 PolarHBondContact O-N 3.44Å; R244-Q246 VanDerWaalsContact C-N 3.29Å; R244-Q246 PolarHBondContact O-N 3.5Å; R244-K247 WeakPolarHBondContact O-CB 3.5Å; R244-K247 PolarHBondContact O-N 3.29Å; R244-K247 VanDerWaalsContact O-N 3.11Å; R244-Y248 WeakPolarHBondContact O-CD2 3.45Å; R244-Y248 PolarHBondContact O-N 3.43Å; R244-L274 HydrophobicContact CB-CD2 3.69Å; R244-E280 IonicContact CZ-OE1 2.99Å; R244-E280 IonicContact NH1-OE1 4Å; R244-E280 PolarHBondContact NH1-OE1 2.9Å
245A92.3Very high87.2Confident6 Ų678.1 Ų78.15%0.0540%0.395CS..Hα-helixtrans-58.4-44.4174.900000111D241 F242 K247 Y248 C249 L274 L275D241-A245 WeakPolarHBondContact O-CB 3.29Å; D241-A245 PolarHBondContact O-N 3.09Å; F242-A245 PolarHBondContact O-N 3.39Å; A245-K247 VanDerWaalsContact C-N 3.3Å; A245-K247 PolarHBondContact O-N 3.17Å; A245-Y248 PolarHBondContact O-N 3.4Å; A245-C249 PolarHBondContact O-N 2.98Å; A245-C249 PolarHBondContact O-SG 3.26Å; A245-C249 VanDerWaalsContact O-SG 3.36Å; A245-L274 HydrophobicContact CB-CD2 4.27Å; A245-L275 HydrophobicContact CB-CD1 4.22Å; A245-L275 HydrophobicContact CB-CD2 3.81Å; A245-L275 HydrophobicContact CB-CG 3.95Å
246Q92Very high88.8Confident140 Ų14080.8 Ų80.865%0.65441%0.407SS*.Hα-helixtrans-60.5-39.1175.3-172.3178.8-5.600112.2F242 R244 C249 K250F242-Q246 WeakPolarHBondContact O-CB 3.34Å; F242-Q246 PolarHBondContact O-N 3.45Å; R244-Q246 VanDerWaalsContact C-N 3.29Å; R244-Q246 PolarHBondContact O-N 3.5Å; Q246-C249 PolarHBondContact O-N 3.42Å; Q246-K250 PolarHBondContact O-N 2.86Å
247K94.6Very high89.9Confident113 Ų11376.9 Ų76.949%0.49140%0.399SS..Hα-helixtrans-63-42.8175.5-172.2177.7179.1-179.20112A243 R244 A245 K250 Y251A243-K247 PolarHBondContact O-N 3.2Å; A243-K247 VanDerWaalsContact O-N 3.1Å; R244-K247 WeakPolarHBondContact O-CB 3.5Å; R244-K247 PolarHBondContact O-N 3.29Å; R244-K247 VanDerWaalsContact O-N 3.11Å; A245-K247 VanDerWaalsContact C-N 3.3Å; A245-K247 PolarHBondContact O-N 3.17Å; K247-K250 PolarHBondContact O-N 3.01Å; K247-Y251 HydrophobicContact CD-CE2 4.22Å; K247-Y251 WeakPolarHBondContact CE-OH 3.39Å; K247-Y251 HydrophobicContact CG-CD2 4.33Å; K247-Y251 HydrophobicContact CG-CE1 4.38Å; K247-Y251 HydrophobicContact CG-CE2 3.8Å; K247-Y251 PolarHBondContact O-N 3.09Å
248Y95.4Very high90.6Very high38 Ų3884 Ų8415%0.14942%0.424CS..Hα-helixtrans-63.3-42.3174.4-69.4-49.4000112.2R244 A245 K250 Y251 A252 K270 L274R244-Y248 WeakPolarHBondContact O-CD2 3.45Å; R244-Y248 PolarHBondContact O-N 3.43Å; A245-Y248 PolarHBondContact O-N 3.4Å; Y248-K250 VanDerWaalsContact C-N 3.3Å; Y248-K250 PolarHBondContact O-N 3.25Å; Y248-Y251 PolarHBondContact O-N 3.45Å; Y248-A252 PolarHBondContact O-N 2.87Å; Y248-K270 HydrophobicContact CD1-CB 4.11Å; Y248-K270 HydrophobicContact CD1-CD 4.22Å; Y248-K270 HydrophobicContact CD2-CB 4.02Å; Y248-K270 HydrophobicContact CE1-CB 4.14Å; Y248-K270 HydrophobicContact CE1-CD 3.82Å; Y248-K270 HydrophobicContact CE2-CB 4.03Å; Y248-K270 HydrophobicContact CG-CB 4.07Å; Y248-L274 HydrophobicContact CE2-CD2 4.26Å
249C95.7Very high90.9Very high66 Ų6689.8 Ų89.845%0.44645%0.447SS..Hα-helixtrans-60.4-40174.2-65.10000112A245 Q246 A252 G253A245-C249 PolarHBondContact O-N 2.98Å; A245-C249 PolarHBondContact O-SG 3.26Å; A245-C249 VanDerWaalsContact O-SG 3.36Å; Q246-C249 PolarHBondContact O-N 3.42Å; C249-A252 PolarHBondContact O-N 2.86Å; C249-G253 PolarHBondContact O-N 2.78Å
250K93.3Very high91.7Very high151 Ų15187.6 Ų87.666%0.65743%0.43SS*.Hα-helixtrans-64-42.2175.7-171.8172.9-178.8174.10112.2Q246 K247 Y248 G253 S254Q246-K250 PolarHBondContact O-N 2.86Å; K247-K250 PolarHBondContact O-N 3.01Å; Y248-K250 VanDerWaalsContact C-N 3.3Å; Y248-K250 PolarHBondContact O-N 3.25Å; K250-G253 PolarHBondContact O-N 2.89Å; K250-S254 PolarHBondContact O-N 3.19Å; K250-S254 PolarHBondContact O-OG 3.31Å
251Y94.7Very high92.2Very high112 Ų11285.7 Ų85.744%0.43943%0.427SS..Hα-helixtrans-67.1-36.6176-67.2-18.9000113K247 Y248 S254 A255K247-Y251 HydrophobicContact CD-CE2 4.22Å; K247-Y251 WeakPolarHBondContact CE-OH 3.39Å; K247-Y251 HydrophobicContact CG-CD2 4.33Å; K247-Y251 HydrophobicContact CG-CE1 4.38Å; K247-Y251 HydrophobicContact CG-CE2 3.8Å; K247-Y251 PolarHBondContact O-N 3.09Å; Y248-Y251 PolarHBondContact O-N 3.45Å; Y251-S254 PolarHBondContact O-N 3.21Å; Y251-A255 WeakPolarHBondContact O-CB 3.34Å; Y251-A255 PolarHBondContact O-N 3.17Å
252A96.1Very high92.6Very high2 Ų288.5 Ų88.52%0.01745%0.448CS..Hα-helixtrans-61.8-44.8171.200000111.3Y248 C249 S254 A255 L256 N267 L268Y248-A252 PolarHBondContact O-N 2.87Å; C249-A252 PolarHBondContact O-N 2.86Å; A252-S254 PolarHBondContact O-N 3.27Å; A252-A255 PolarHBondContact O-N 2.89Å; A252-L256 WeakPolarHBondContact O-CG 3.42Å; A252-L256 PolarHBondContact O-N 2.93Å; A252-N267 HydrophobicContact CB-CB 3.93Å; A252-L268 HydrophobicContact CB-CD2 3.92Å; A252-L268 HydrophobicContact CB-CG 3.8Å
253G90.1Very high93Very high40 Ų4085.5 Ų85.541%0.41244%0.439SS..Hα-helixtrans-58.7-44.7174.500000112.9C249 K250 A255 L256 Q257C249-G253 PolarHBondContact O-N 2.78Å; K250-G253 PolarHBondContact O-N 2.89Å; G253-A255 PolarHBondContact O-N 2.87Å; G253-L256 PolarHBondContact O-N 3.06Å; G253-Q257 PolarHBondContact O-N 3.37Å
254S94.8Very high93.2Very high60 Ų6082.9 Ų82.942%0.4242%0.417SS..Hα-helixtrans-63-40.6174.3-610000112.5K250 Y251 A252 L256 Q257 Y258K250-S254 PolarHBondContact O-N 3.19Å; K250-S254 PolarHBondContact O-OG 3.31Å; Y251-S254 PolarHBondContact O-N 3.21Å; A252-S254 PolarHBondContact O-N 3.27Å; S254-L256 PolarHBondContact O-N 3.25Å; S254-Q257 WeakPolarHBondContact O-CB 3.31Å; S254-Q257 PolarHBondContact O-N 3.37Å; S254-Y258 WeakPolarHBondContact O-CD2 3.33Å; S254-Y258 PolarHBondContact O-N 2.95Å
255A92.2Very high93.5Very high9 Ų981.7 Ų81.77%0.07442%0.419CS..Hα-helixtrans-64.6-38.8178.300000112.3Y251 A252 G253 Q257 Y258 E259 D260 T263 A264Y251-A255 WeakPolarHBondContact O-CB 3.34Å; Y251-A255 PolarHBondContact O-N 3.17Å; A252-A255 PolarHBondContact O-N 2.89Å; G253-A255 PolarHBondContact O-N 2.87Å; A255-Q257 VanDerWaalsContact C-N 3.28Å; A255-Q257 PolarHBondContact O-N 2.82Å; A255-Y258 CarbonylContact O-C 3.47Å; A255-Y258 PolarHBondContact O-N 3.31Å; A255-Y258 VanDerWaalsContact O-N 3.13Å; A255-E259 PolarHBondContact O-N 3.43Å; A255-D260 HydrophobicContact CB-CB 4.37Å; A255-D260 PolarHBondContact O-N 3.49Å; A255-T263 HydrophobicContact CB-CG2 3.83Å; A255-A264 HydrophobicContact CB-CB 4.03Å
256L92.3Very high93.7Very high106 Ų10685.7 Ų85.756%0.55544%0.437SS*.Hα-helixtrans-62.2-34.8174.2-69.7171000112.3A252 G253 S254 Y258 E259 A264A252-L256 WeakPolarHBondContact O-CG 3.42Å; A252-L256 PolarHBondContact O-N 2.93Å; G253-L256 PolarHBondContact O-N 3.06Å; S254-L256 PolarHBondContact O-N 3.25Å; L256-Y258 PolarHBondContact O-N 3.07Å; L256-E259 PolarHBondContact O-N 3.15Å; L256-E259 VanDerWaalsContact O-N 3.1Å; L256-A264 HydrophobicContact CD2-CB 3.72Å; L256-A264 HydrophobicContact CG-CB 3.8Å
257Q91.4Very high93.9Very high155 Ų15579.8 Ų79.872%0.72441%0.41SS*.Hα-helixtrans-63.6-26.6175.8-168.562.156.600113.2G253 S254 A255G253-Q257 PolarHBondContact O-N 3.37Å; S254-Q257 WeakPolarHBondContact O-CB 3.31Å; S254-Q257 PolarHBondContact O-N 3.37Å; A255-Q257 VanDerWaalsContact C-N 3.28Å; A255-Q257 PolarHBondContact O-N 2.82Å
258Y92Very high94Very high192 Ų19278.6 Ų78.675%0.75341%0.409SS*.THydrogen-bonded Turntrans-103.214.4176.4-64-75.2000112.7S254 A255 L256 D260S254-Y258 WeakPolarHBondContact O-CD2 3.33Å; S254-Y258 PolarHBondContact O-N 2.95Å; A255-Y258 CarbonylContact O-C 3.47Å; A255-Y258 PolarHBondContact O-N 3.31Å; A255-Y258 VanDerWaalsContact O-N 3.13Å; L256-Y258 PolarHBondContact O-N 3.07Å; Y258-D260 PolarHBondContact O-N 3.46Å
259E92.5Very high94Very high174 Ų17482.5 Ų82.581%0.81343%0.428SS*.THydrogen-bonded Turntrans56.521.6-178.6-55.1-176.6146.300114.2A255 L256 V261A255-E259 PolarHBondContact O-N 3.43Å; L256-E259 PolarHBondContact O-N 3.15Å; L256-E259 VanDerWaalsContact O-N 3.1Å; E259-V261 VanDerWaalsContact C-N 3.35Å; E259-V261 PolarHBondContact O-N 3.02Å
260D94.8Very high93.9Very high67 Ų6783.5 Ų83.536%0.35843%0.425SS..  trans-84.879.9176.4-172.7-11.8000110.3A255 Y258 S262 T263 A264A255-D260 HydrophobicContact CB-CB 4.37Å; A255-D260 PolarHBondContact O-N 3.49Å; Y258-D260 PolarHBondContact O-N 3.46Å; D260-S262 VanDerWaalsContact C-N 3.25Å; D260-S262 PolarHBondContact O-N 3.16Å; D260-S262 PolarHBondContact OD1-N 3.28Å; D260-T263 PolarHBondContact O-N 2.89Å; D260-T263 WeakPolarHBondContact OD1-CB 3.43Å; D260-T263 PolarHBondContact OD1-N 3.07Å; D260-T263 PolarHBondContact OD1-OG1 2.95Å; D260-T263 WeakPolarHBondContact OD2-CB 3.2Å; D260-T263 PolarHBondContact OD2-OG1 3.34Å; D260-A264 WeakPolarHBondContact O-CB 3.33Å; D260-A264 PolarHBondContact O-N 3.12Å
261V93.8Very high94Very high96 Ų9676.5 Ų76.558%0.58240%0.396SS*.Hα-helixtrans-59-37.5-179.4-177.80000111.6E259 A264 V265E259-V261 VanDerWaalsContact C-N 3.35Å; E259-V261 PolarHBondContact O-N 3.02Å; V261-A264 PolarHBondContact O-N 2.93Å; V261-V265 HydrophobicContact CG1-CG2 4.28Å; V261-V265 WeakPolarHBondContact O-CB 3.43Å; V261-V265 VanDerWaalsContact O-CG2 3.27Å; V261-V265 WeakPolarHBondContact O-CG2 3.2Å; V261-V265 PolarHBondContact O-N 3.35Å
262S93.9Very high93.8Very high71 Ų7176.6 Ų76.650%0.49740%0.403SS..Hα-helixtrans-64.4-49.3-179-179.30000111D260 A264 V265 Q266D260-S262 VanDerWaalsContact C-N 3.25Å; D260-S262 PolarHBondContact O-N 3.16Å; D260-S262 PolarHBondContact OD1-N 3.28Å; S262-A264 VanDerWaalsContact C-N 3.34Å; S262-A264 PolarHBondContact O-N 3.39Å; S262-V265 PolarHBondContact O-N 2.95Å; S262-Q266 VanDerWaalsContact O-CG 3.27Å; S262-Q266 WeakPolarHBondContact O-CG 3.39Å; S262-Q266 PolarHBondContact O-N 3.26Å; S262-Q266 PolarHBondContact OG-NE2 3.4Å
263T93.4Very high93.6Very high49 Ų4981.3 Ų81.330%0.30142%0.423SS..Hα-helixtrans-67.1-35.7178.3-62.40000111.7A255 D260 N267A255-T263 HydrophobicContact CB-CG2 3.83Å; D260-T263 PolarHBondContact O-N 2.89Å; D260-T263 WeakPolarHBondContact OD1-CB 3.43Å; D260-T263 PolarHBondContact OD1-N 3.07Å; D260-T263 PolarHBondContact OD1-OG1 2.95Å; D260-T263 WeakPolarHBondContact OD2-CB 3.2Å; D260-T263 PolarHBondContact OD2-OG1 3.34Å; T263-N267 WeakPolarHBondContact CG2-ND2 3.47Å; T263-N267 PolarHBondContact O-N 3.19Å; T263-N267 VanDerWaalsContact O-N 3.1Å; T263-N267 PolarHBondContact O-ND2 2.9Å
264A93.4Very high93.6Very high2 Ų279.5 Ų79.52%0.01740%0.404CS..Hα-helixtrans-61.5-51.1174.800000111.7A255 L256 D260 V261 S262 Q266 N267 L268A255-A264 HydrophobicContact CB-CB 4.03Å; L256-A264 HydrophobicContact CD2-CB 3.72Å; L256-A264 HydrophobicContact CG-CB 3.8Å; D260-A264 WeakPolarHBondContact O-CB 3.33Å; D260-A264 PolarHBondContact O-N 3.12Å; V261-A264 PolarHBondContact O-N 2.93Å; S262-A264 VanDerWaalsContact C-N 3.34Å; S262-A264 PolarHBondContact O-N 3.39Å; A264-Q266 VanDerWaalsContact C-N 3.34Å; A264-Q266 PolarHBondContact O-N 2.95Å; A264-N267 PolarHBondContact O-N 2.58Å; A264-L268 WeakPolarHBondContact O-CG 3.37Å; A264-L268 PolarHBondContact O-N 2.94Å
265V95.6Very high93.3Very high66 Ų6680.1 Ų80.140%0.440%0.402SS..Hα-helixtrans-60.7-43.3178.8171.10000111.1V261 S262 N267 L268 Q269V261-V265 HydrophobicContact CG1-CG2 4.28Å; V261-V265 WeakPolarHBondContact O-CB 3.43Å; V261-V265 VanDerWaalsContact O-CG2 3.27Å; V261-V265 WeakPolarHBondContact O-CG2 3.2Å; V261-V265 PolarHBondContact O-N 3.35Å; S262-V265 PolarHBondContact O-N 2.95Å; V265-N267 PolarHBondContact O-N 3.47Å; V265-L268 PolarHBondContact O-N 3.26Å; V265-Q269 HydrophobicContact CG1-CG 4.34Å; V265-Q269 WeakPolarHBondContact O-CB 3.32Å; V265-Q269 WeakPolarHBondContact O-CG 3.39Å; V265-Q269 PolarHBondContact O-N 3.38Å
266Q96.4Very high93Very high90 Ų9083.2 Ų83.242%0.42142%0.42SS..Hα-helixtrans-60.8-43.1178.6-75177.133.700112.7S262 A264 Q269 K270S262-Q266 VanDerWaalsContact O-CG 3.27Å; S262-Q266 WeakPolarHBondContact O-CG 3.39Å; S262-Q266 PolarHBondContact O-N 3.26Å; S262-Q266 PolarHBondContact OG-NE2 3.4Å; A264-Q266 VanDerWaalsContact C-N 3.34Å; A264-Q266 PolarHBondContact O-N 2.95Å; Q266-Q269 PolarHBondContact O-N 2.82Å; Q266-K270 WeakPolarHBondContact O-CG 3.21Å; Q266-K270 PolarHBondContact O-N 2.76Å
267N95.5Very high92.5Very high16 Ų1680.8 Ų80.89%0.08641%0.41CS..Hα-helixtrans-69.9-38179.2-77.6-68.1000111.9A252 T263 A264 V265 K270 A271A252-N267 HydrophobicContact CB-CB 3.93Å; T263-N267 WeakPolarHBondContact CG2-ND2 3.47Å; T263-N267 PolarHBondContact O-N 3.19Å; T263-N267 VanDerWaalsContact O-N 3.1Å; T263-N267 PolarHBondContact O-ND2 2.9Å; A264-N267 PolarHBondContact O-N 2.58Å; V265-N267 PolarHBondContact O-N 3.47Å; N267-K270 PolarHBondContact O-N 3.04Å; N267-A271 PolarHBondContact O-N 3.36Å
268L96.5Very high91.8Very high89 Ų8974.5 Ų74.547%0.46639%0.387SS..Hα-helixtrans-64-40.6174.5-69.2171.1000112A252 A264 V265 A271 L272A252-L268 HydrophobicContact CB-CD2 3.92Å; A252-L268 HydrophobicContact CB-CG 3.8Å; A264-L268 WeakPolarHBondContact O-CG 3.37Å; A264-L268 PolarHBondContact O-N 2.94Å; V265-L268 PolarHBondContact O-N 3.26Å; L268-A271 PolarHBondContact O-N 2.86Å; L268-L272 WeakPolarHBondContact O-CB 3.26Å; L268-L272 PolarHBondContact O-N 3.48Å
269Q95.7Very high90.8Very high119 Ų11974.8 Ų74.856%0.55639%0.387SS*.Hα-helixtrans-63.6-39.9175-74.8176.1-13.800112.2V265 Q266 L272 K273V265-Q269 HydrophobicContact CG1-CG 4.34Å; V265-Q269 WeakPolarHBondContact O-CB 3.32Å; V265-Q269 WeakPolarHBondContact O-CG 3.39Å; V265-Q269 PolarHBondContact O-N 3.38Å; Q266-Q269 PolarHBondContact O-N 2.82Å; Q269-L272 PolarHBondContact O-N 3.48Å; Q269-K273 VanDerWaalsContact O-CB 3.31Å; Q269-K273 WeakPolarHBondContact O-CB 3.32Å; Q269-K273 PolarHBondContact O-N 3.32Å
270K93.8Very high89.5Confident87 Ų8772.4 Ų72.438%0.37838%0.376SS..Hα-helixtrans-63.1-44.8174.4-73173.6-174.9175.10112Y248 Q266 N267 K273 L274Y248-K270 HydrophobicContact CD1-CB 4.11Å; Y248-K270 HydrophobicContact CD1-CD 4.22Å; Y248-K270 HydrophobicContact CD2-CB 4.02Å; Y248-K270 HydrophobicContact CE1-CB 4.14Å; Y248-K270 HydrophobicContact CE1-CD 3.82Å; Y248-K270 HydrophobicContact CE2-CB 4.03Å; Y248-K270 HydrophobicContact CG-CB 4.07Å; Q266-K270 WeakPolarHBondContact O-CG 3.21Å; Q266-K270 PolarHBondContact O-N 2.76Å; N267-K270 PolarHBondContact O-N 3.04Å; K270-K273 PolarHBondContact O-N 3.46Å; K270-L274 WeakPolarHBondContact O-CB 3.49Å; K270-L274 PolarHBondContact O-N 3.46Å
271A94.4Very high89.2Confident5 Ų572.7 Ų72.74%0.04138%0.376CS..Hα-helixtrans-59.7-47.9175.500000111.4N267 L268 K273 L274 L275N267-A271 PolarHBondContact O-N 3.36Å; L268-A271 PolarHBondContact O-N 2.86Å; A271-K273 PolarHBondContact O-N 2.97Å; A271-L274 PolarHBondContact O-N 2.97Å; A271-L275 WeakPolarHBondContact O-CB 3.45Å; A271-L275 VanDerWaalsContact O-CG 3.26Å; A271-L275 WeakPolarHBondContact O-CG 3.24Å; A271-L275 PolarHBondContact O-N 2.95Å
272L91.3Very high88.9Confident114 Ų11471.5 Ų71.560%0.59737%0.366SS*.Hα-helixtrans-61.6-44.8179.7-177.564.1000111.9L268 Q269 L275 T276L268-L272 WeakPolarHBondContact O-CB 3.26Å; L268-L272 PolarHBondContact O-N 3.48Å; Q269-L272 PolarHBondContact O-N 3.48Å; L272-L275 PolarHBondContact O-N 2.97Å; L272-T276 VanDerWaalsContact O-CB 3.31Å; L272-T276 WeakPolarHBondContact O-CB 3.38Å; L272-T276 PolarHBondContact O-N 3.13Å; L272-T276 PolarHBondContact O-OG1 3.17Å
273K91.6Very high88.7Confident101 Ų10171.5 Ų71.544%0.43936%0.358SS..Hα-helixtrans-63.9-43.7178.8-173.9177.3169-155.10111.6Q269 K270 A271 L275 T276 T277 E280Q269-K273 VanDerWaalsContact O-CB 3.31Å; Q269-K273 WeakPolarHBondContact O-CB 3.32Å; Q269-K273 PolarHBondContact O-N 3.32Å; K270-K273 PolarHBondContact O-N 3.46Å; A271-K273 PolarHBondContact O-N 2.97Å; K273-L275 PolarHBondContact O-N 3.17Å; K273-T276 PolarHBondContact O-N 2.86Å; K273-T277 HydrophobicContact CG-CG2 4.42Å; K273-T277 WeakPolarHBondContact O-CB 3.11Å; K273-T277 PolarHBondContact O-N 3.22Å; K273-T277 PolarHBondContact O-OG1 2.7Å; K273-E280 VanDerWaalsContact CD-OXT 3.32Å; K273-E280 WeakPolarHBondContact CD-OXT 3.46Å; K273-E280 WeakPolarHBondContact CE-O 3.36Å; K273-E280 VanDerWaalsContact CE-OXT 3.29Å; K273-E280 WeakPolarHBondContact CE-OXT 3.41Å; K273-E280 PolarHBondContact NZ-O 3.04Å; K273-E280 PolarHBondContact NZ-OXT 2.87Å
274L90.1Very high88.4Confident1 Ų172.8 Ų72.81%0.00536%0.362CS..Hα-helixtrans-61.3-45.1176.7-177.862.4000111.4L237 D241 R244 A245 Y248 K270 A271 T276 G278L237-L274 WeakPolarHBondContact CD2-O 3.03Å; D241-L274 HydrophobicContact CB-CD1 4.45Å; D241-L274 HydrophobicContact CB-CG 4.47Å; D241-L274 WeakPolarHBondContact O-CD2 3.3Å; R244-L274 HydrophobicContact CB-CD2 3.69Å; A245-L274 HydrophobicContact CB-CD2 4.27Å; Y248-L274 HydrophobicContact CE2-CD2 4.26Å; K270-L274 WeakPolarHBondContact O-CB 3.49Å; K270-L274 PolarHBondContact O-N 3.46Å; A271-L274 PolarHBondContact O-N 2.97Å; L274-T276 VanDerWaalsContact C-N 3.32Å; L274-T276 PolarHBondContact O-N 3.22Å; L274-G278 WeakPolarHBondContact O-CA 3.46Å; L274-G278 PolarHBondContact O-N 3.06Å
275L88.2Confident88.1Confident73 Ų7377.3 Ų77.338%0.38238%0.383SS..Hα-helixtrans-70.5-26.8-179.8-67.7172.2000113.5L237 F242 A245 A271 L272 K273L237-L275 HydrophobicContact CD1-CD2 4.08Å; F242-L275 HydrophobicContact CD1-CD2 4.37Å; F242-L275 HydrophobicContact CE1-CD2 4.32Å; A245-L275 HydrophobicContact CB-CD1 4.22Å; A245-L275 HydrophobicContact CB-CD2 3.81Å; A245-L275 HydrophobicContact CB-CG 3.95Å; A271-L275 WeakPolarHBondContact O-CB 3.45Å; A271-L275 VanDerWaalsContact O-CG 3.26Å; A271-L275 WeakPolarHBondContact O-CG 3.24Å; A271-L275 PolarHBondContact O-N 2.95Å; L272-L275 PolarHBondContact O-N 2.97Å; K273-L275 PolarHBondContact O-N 3.17Å
276T85.9Confident87.6Confident74 Ų7478 Ų7845%0.45438%0.382SS..Hα-helixtrans-92.6-28.5-177.8-49.40000112.7V235 L272 K273 L274V235-T276 WeakPolarHBondContact CG2-O 3.4Å; L272-T276 VanDerWaalsContact O-CB 3.31Å; L272-T276 WeakPolarHBondContact O-CB 3.38Å; L272-T276 PolarHBondContact O-N 3.13Å; L272-T276 PolarHBondContact O-OG1 3.17Å; K273-T276 PolarHBondContact O-N 2.86Å; L274-T276 VanDerWaalsContact C-N 3.32Å; L274-T276 PolarHBondContact O-N 3.22Å
277T83.4Confident87Confident56 Ų5677.1 Ų77.134%0.34438%0.379SS..Hα-helixtrans-121-12.7-171.871.20000114.3K273 R279K273-T277 HydrophobicContact CG-CG2 4.42Å; K273-T277 WeakPolarHBondContact O-CB 3.11Å; K273-T277 PolarHBondContact O-N 3.22Å; K273-T277 PolarHBondContact O-OG1 2.7Å; T277-R279 PolarHBondContact O-N 3.32Å; T277-R279 PolarHBondContact OG1-N 2.75Å; T277-R279 PolarHBondContact OG1-O 2.77Å; T277-R279 VanDerWaalsContact OG1-O 3.05Å
278G76.2Confident86.3Confident23 Ų2381.8 Ų81.824%0.23740%0.402CS..SBendtrans6714.2-173.800000113.3V235 L274V235-G278 VanDerWaalsContact CG1-CA 3.44Å; V235-G278 VanDerWaalsContact CG1-N 3.32Å; L274-G278 WeakPolarHBondContact O-CA 3.46Å; L274-G278 PolarHBondContact O-N 3.06Å
279R70.4Confident85.4Confident198 Ų19881.3 Ų81.375%0.74740%0.397SS*.  trans-140.9152.2-177.8-63.4-176.5-177.3169.41.5110.7T277T277-R279 PolarHBondContact O-N 3.32Å; T277-R279 PolarHBondContact OG1-N 2.75Å; T277-R279 PolarHBondContact OG1-O 2.77Å; T277-R279 VanDerWaalsContact OG1-O 3.05Å
280E64.3Low84.5Confident124 Ų12477.8 Ų77.858%0.57938%0.382SS*.  trans-76.30-179.2-66.817817900113.5R244 K273R244-E280 IonicContact CZ-OE1 2.99Å; R244-E280 IonicContact NH1-OE1 4Å; R244-E280 PolarHBondContact NH1-OE1 2.9Å; K273-E280 VanDerWaalsContact CD-OXT 3.32Å; K273-E280 WeakPolarHBondContact CD-OXT 3.46Å; K273-E280 WeakPolarHBondContact CE-O 3.36Å; K273-E280 VanDerWaalsContact CE-OXT 3.29Å; K273-E280 WeakPolarHBondContact CE-OXT 3.41Å; K273-E280 PolarHBondContact NZ-O 3.04Å; K273-E280 PolarHBondContact NZ-OXT 2.87Å

Retrieved 280 of 280 residues in 197 ms (Link to these results)

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