A0A5K4FC41_SCHMA Loading...

Golgi SNAP receptor complex member 2

Involved in transport of proteins from the cis/medial-Golgi to the trans-Golgi network.

AlphaFold DB (A0A5K4FC35), UniProt , Accession A0A5K4FC41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 232 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
1M58.4Low82.3Confident154 Ų15477.3 Ų77.376%0.75938%0.377SS*.  0125.80-85.9-179118.800107.2Y3M1-Y3 PolarHBondContact O-N 2.84Å
2D78.5Confident82.8Confident122 Ų12277.6 Ų77.665%0.65239%0.391SS*.  trans-65.4133.3179.2-58.4-45.6000110.4D4 K5 L6D2-D4 PolarHBondContact O-N 3.26Å; D2-K5 HydrophobicContact CB-CB 4.36Å; D2-K5 PolarHBondContact O-N 3.35Å; D2-K5 VanDerWaalsContact O-N 3.09Å; D2-L6 PolarHBondContact O-N 3.05Å; D2-L6 VanDerWaalsContact O-N 3.16Å
3Y79.2Confident83.3Confident18 Ų1874.3 Ų74.37%0.07138%0.375CS..Hα-helixtrans-51.2-42.3177.4176.5-82.4000111.1M1 K5 L6 S7 L61 L64 L65 V68 L77M1-Y3 PolarHBondContact O-N 2.84Å; Y3-K5 PolarHBondContact O-N 3.35Å; Y3-L6 PolarHBondContact O-N 2.86Å; Y3-S7 VanDerWaalsContact O-CB 3.27Å; Y3-S7 WeakPolarHBondContact O-CB 3.4Å; Y3-S7 PolarHBondContact O-N 3.18Å; Y3-L61 HydrophobicContact CD2-CD2 3.7Å; Y3-L61 HydrophobicContact CE1-CD2 4.45Å; Y3-L61 HydrophobicContact CE2-CB 4.05Å; Y3-L61 HydrophobicContact CE2-CD2 3.62Å; Y3-L61 HydrophobicContact CE2-CG 4.45Å; Y3-L61 WeakPolarHBondContact CE2-O 3.4Å; Y3-L61 HydrophobicContact CG-CD2 4.18Å; Y3-L64 HydrophobicContact CD2-CB 4.02Å; Y3-L65 HydrophobicContact CE2-CB 4.17Å; Y3-L65 HydrophobicContact CE2-CD1 4.17Å; Y3-V68 HydrophobicContact CD1-CG2 4.27Å; Y3-V68 HydrophobicContact CD2-CG2 3.7Å; Y3-V68 HydrophobicContact CG-CG2 3.57Å; Y3-L77 HydrophobicContact CD1-CD1 4.03Å; Y3-L77 HydrophobicContact CE1-CB 4.33Å; Y3-L77 HydrophobicContact CE1-CD1 3.51Å; Y3-L77 HydrophobicContact CE1-CD2 3.55Å; Y3-L77 HydrophobicContact CE1-CG 3.96Å; Y3-L77 WeakPolarHBondContact OH-CB 3.45Å
4D81Confident83.7Confident72 Ų7269.9 Ų69.939%0.38535%0.353SS..Hα-helixtrans-64.3-40.8-178.9-72.8-34000112.1D2 S7 I8 R73D2-D4 PolarHBondContact O-N 3.26Å; D4-S7 PolarHBondContact O-N 3.32Å; D4-I8 VanDerWaalsContact O-CG1 3.26Å; D4-I8 WeakPolarHBondContact O-CG1 3.25Å; D4-I8 PolarHBondContact O-N 2.86Å; D4-R73 IonicContact OD1-CZ 2.85Å; D4-R73 IonicContact OD1-NH1 2.75Å; D4-R73 PolarHBondContact OD1-NH1 3.38Å; D4-R73 IonicContact OD1-NH2 2.7Å; D4-R73 PolarHBondContact OD1-NH2 3.2Å; D4-R73 IonicContact OD2-NH1 3.93Å; D4-R73 PolarHBondContact OD2-NH1 2.87Å; D4-R73 IonicContact OD2-NH2 3.23Å
5K85.9Confident84Confident137 Ų13774.1 Ų74.160%0.59637%0.371SS*.Hα-helixtrans-63.8-45.9177-174.1176.4-178.7176.30111.4D2 Y3 S7 I8 Q9D2-K5 HydrophobicContact CB-CB 4.36Å; D2-K5 PolarHBondContact O-N 3.35Å; D2-K5 VanDerWaalsContact O-N 3.09Å; Y3-K5 PolarHBondContact O-N 3.35Å; K5-S7 VanDerWaalsContact C-N 3.32Å; K5-I8 PolarHBondContact O-N 3.12Å; K5-Q9 WeakPolarHBondContact O-CB 3.3Å; K5-Q9 PolarHBondContact O-N 3.39Å
6L85.9Confident84.4Confident4 Ų473.2 Ų73.22%0.02137%0.37CS..Hα-helixtrans-66.7-36.4178.4-175.363.1000111.4D2 Y3 Q9 T10 N57 R60 L61 L64D2-L6 PolarHBondContact O-N 3.05Å; D2-L6 VanDerWaalsContact O-N 3.16Å; Y3-L6 PolarHBondContact O-N 2.86Å; L6-Q9 PolarHBondContact O-N 2.9Å; L6-T10 WeakPolarHBondContact O-CB 3.29Å; L6-T10 PolarHBondContact O-N 2.83Å; L6-T10 PolarHBondContact O-OG1 2.96Å; L6-N57 HydrophobicContact CD1-CB 4.23Å; L6-R60 HydrophobicContact CD2-CB 3.8Å; L6-L61 HydrophobicContact CB-CD2 3.84Å; L6-L61 HydrophobicContact CD2-CD2 3.79Å; L6-L61 HydrophobicContact CD2-CG 3.77Å; L6-L61 HydrophobicContact CG-CD1 4.45Å; L6-L61 HydrophobicContact CG-CD2 3.78Å; L6-L61 HydrophobicContact CG-CG 3.9Å; L6-L64 HydrophobicContact CD2-CD1 4.1Å
7S83.7Confident84.8Confident15 Ų1568.9 Ų68.911%0.10535%0.348CS..Hα-helixtrans-64.3-46.1176.8-174.70000111.4Y3 D4 K5 T10 K11Y3-S7 VanDerWaalsContact O-CB 3.27Å; Y3-S7 WeakPolarHBondContact O-CB 3.4Å; Y3-S7 PolarHBondContact O-N 3.18Å; D4-S7 PolarHBondContact O-N 3.32Å; K5-S7 VanDerWaalsContact C-N 3.32Å; S7-T10 PolarHBondContact O-N 3.33Å; S7-K11 WeakPolarHBondContact O-CG 3.2Å; S7-K11 PolarHBondContact O-N 2.77Å
8I86.4Confident85.1Confident119 Ų11967.9 Ų67.961%0.6135%0.349SS*.Hα-helixtrans-62.4-46.1176.7-67.5164.1000110.8D4 K5 T10 K11 C12D4-I8 VanDerWaalsContact O-CG1 3.26Å; D4-I8 WeakPolarHBondContact O-CG1 3.25Å; D4-I8 PolarHBondContact O-N 2.86Å; K5-I8 PolarHBondContact O-N 3.12Å; I8-T10 VanDerWaalsContact C-N 3.3Å; I8-T10 PolarHBondContact O-N 3.36Å; I8-K11 PolarHBondContact O-N 3.43Å; I8-C12 WeakPolarHBondContact O-CB 3.14Å; I8-C12 PolarHBondContact O-N 2.99Å
9Q89.1Confident85.2Confident95 Ų9570.1 Ų70.144%0.44436%0.358SS..Hα-helixtrans-59.5-42.8177-176.7-179.7-7.200111.7K5 L6 C12 L13K5-Q9 WeakPolarHBondContact O-CB 3.3Å; K5-Q9 PolarHBondContact O-N 3.39Å; L6-Q9 PolarHBondContact O-N 2.9Å; Q9-C12 PolarHBondContact O-N 2.98Å; Q9-L13 WeakPolarHBondContact O-CB 3.25Å; Q9-L13 PolarHBondContact O-N 2.59Å
10T88.7Confident85.4Confident3 Ų367.6 Ų67.62%0.01835%0.347CS..Hα-helixtrans-64.3-42.6179.1-54.30000111.2L6 S7 I8 L13 L14 I54 N57 L61 T84L6-T10 WeakPolarHBondContact O-CB 3.29Å; L6-T10 PolarHBondContact O-N 2.83Å; L6-T10 PolarHBondContact O-OG1 2.96Å; S7-T10 PolarHBondContact O-N 3.33Å; I8-T10 VanDerWaalsContact C-N 3.3Å; I8-T10 PolarHBondContact O-N 3.36Å; T10-L13 PolarHBondContact O-N 2.99Å; T10-L14 WeakPolarHBondContact O-CB 3.36Å; T10-L14 PolarHBondContact O-N 3.48Å; T10-I54 HydrophobicContact CG2-CG2 3.75Å; T10-N57 HydrophobicContact CG2-CB 4.32Å; T10-L61 HydrophobicContact CG2-CD1 4.36Å; T10-T84 HydrophobicContact CG2-CG2 4.23Å
11K88.4Confident85.5Confident111 Ų11164.7 Ų64.748%0.48333%0.332SS..Hα-helixtrans-65.2-39.2175.4-72-179.5-179.9-1710112.9S7 I8 L14 H15S7-K11 WeakPolarHBondContact O-CG 3.2Å; S7-K11 PolarHBondContact O-N 2.77Å; I8-K11 PolarHBondContact O-N 3.43Å; K11-L14 WeakPolarHBondContact O-CB 3.49Å; K11-L14 PolarHBondContact O-N 3.45Å; K11-H15 PolarHBondContact O-N 2.89Å; K11-H15 VanDerWaalsContact O-N 3.14Å
12C89Confident86.9Confident81 Ų8159.1 Ų59.155%0.54731%0.313SS..Hα-helixtrans-62.5-48.6175.5-172.70000110.9I8 Q9 L14 H15 T16I8-C12 WeakPolarHBondContact O-CB 3.14Å; I8-C12 PolarHBondContact O-N 2.99Å; Q9-C12 PolarHBondContact O-N 2.98Å; C12-L14 VanDerWaalsContact C-N 3.27Å; C12-L14 PolarHBondContact O-N 2.8Å; C12-H15 WeakPolarHBondContact O-CB 3.4Å; C12-H15 PolarHBondContact O-N 3.35Å; C12-H15 VanDerWaalsContact O-N 3.13Å; C12-T16 PolarHBondContact O-N 3.42Å; C12-T16 PolarHBondContact O-OG1 3.45Å
13L89.1Confident87.3Confident35 Ų3557.8 Ų57.818%0.18330%0.303CS..Hα-helixtrans-60.8-37.2177.4-171.161.8000112Q9 T10 T16 V17 D50 N53 I54Q9-L13 WeakPolarHBondContact O-CB 3.25Å; Q9-L13 PolarHBondContact O-N 2.59Å; T10-L13 PolarHBondContact O-N 2.99Å; L13-T16 PolarHBondContact O-N 2.77Å; L13-V17 WeakPolarHBondContact O-CG2 3.43Å; L13-V17 PolarHBondContact O-N 2.97Å; L13-D50 HydrophobicContact CD1-CB 4.29Å; L13-N53 HydrophobicContact CD2-CB 4.16Å; L13-I54 HydrophobicContact CB-CD1 4.41Å; L13-I54 HydrophobicContact CB-CG1 4.11Å; L13-I54 HydrophobicContact CD2-CD1 4.28Å; L13-I54 HydrophobicContact CD2-CG1 3.44Å; L13-I54 VanDerWaalsContact CD2-CG1 3.44Å; L13-I54 HydrophobicContact CG-CD1 3.95Å; L13-I54 HydrophobicContact CG-CG1 3.64Å
14L88.7Confident87.7Confident13 Ų1357 Ų577%0.06830%0.3CS..Hα-helixtrans-60.8-43.2175-167.768.2000112.3T10 K11 C12 V17 S18 I54 T84 E87 Y91T10-L14 WeakPolarHBondContact O-CB 3.36Å; T10-L14 PolarHBondContact O-N 3.48Å; K11-L14 WeakPolarHBondContact O-CB 3.49Å; K11-L14 PolarHBondContact O-N 3.45Å; C12-L14 VanDerWaalsContact C-N 3.27Å; C12-L14 PolarHBondContact O-N 2.8Å; L14-V17 PolarHBondContact O-N 2.99Å; L14-S18 PolarHBondContact O-N 2.8Å; L14-I54 HydrophobicContact CB-CD1 4.45Å; L14-I54 HydrophobicContact CD1-CD1 4.13Å; L14-T84 HydrophobicContact CD1-CG2 4.33Å; L14-T84 HydrophobicContact CD2-CG2 4.03Å; L14-E87 HydrophobicContact CD1-CB 4.36Å; L14-E87 WeakPolarHBondContact CD2-OE2 3.24Å; L14-Y91 HydrophobicContact CD1-CD2 4.18Å; L14-Y91 HydrophobicContact CD1-CE2 3.64Å; L14-Y91 HydrophobicContact CG-CE2 4.29Å
15H87.5Confident88Confident133 Ų13356.9 Ų56.962%0.61630%0.298SS*.Hα-helixtrans-65-43.7175.2-170.5-79.4000111.7K11 C12 V17 S18 E19K11-H15 PolarHBondContact O-N 2.89Å; K11-H15 VanDerWaalsContact O-N 3.14Å; C12-H15 WeakPolarHBondContact O-CB 3.4Å; C12-H15 PolarHBondContact O-N 3.35Å; C12-H15 VanDerWaalsContact O-N 3.13Å; H15-V17 VanDerWaalsContact C-N 3.31Å; H15-V17 PolarHBondContact O-N 3.22Å; H15-S18 WeakPolarHBondContact O-CB 3.41Å; H15-S18 PolarHBondContact O-N 3.19Å; H15-E19 PolarHBondContact O-N 2.77Å
16T91.3Very high87.9Confident59 Ų5954 Ų5436%0.36230%0.295SS..Hα-helixtrans-59.6-41.1175.7-54.20000112C12 L13 E19 S20C12-T16 PolarHBondContact O-N 3.42Å; C12-T16 PolarHBondContact O-OG1 3.45Å; L13-T16 PolarHBondContact O-N 2.77Å; T16-E19 PolarHBondContact O-N 3.35Å; T16-S20 VanDerWaalsContact O-CB 3.26Å; T16-S20 WeakPolarHBondContact O-CB 3.22Å; T16-S20 PolarHBondContact O-N 2.78Å; T16-S20 PolarHBondContact O-OG 2.87Å
17V90.2Very high87.8Confident0 Ų056 Ų560%030%0.304CS..Hα-helixtrans-62.8-45.5175.2163.80000110.8L13 L14 H15 E19 S20 I21 L47 D50 I51 I54 Y91L13-V17 WeakPolarHBondContact O-CG2 3.43Å; L13-V17 PolarHBondContact O-N 2.97Å; L14-V17 PolarHBondContact O-N 2.99Å; H15-V17 VanDerWaalsContact C-N 3.31Å; H15-V17 PolarHBondContact O-N 3.22Å; V17-E19 VanDerWaalsContact C-N 3.35Å; V17-E19 PolarHBondContact O-N 2.9Å; V17-S20 PolarHBondContact O-N 2.86Å; V17-I21 HydrophobicContact CG1-CD1 3.74Å; V17-I21 HydrophobicContact CG1-CG1 4.42Å; V17-I21 VanDerWaalsContact O-CG1 3.26Å; V17-I21 WeakPolarHBondContact O-CG1 3.35Å; V17-I21 PolarHBondContact O-N 3.07Å; V17-L47 HydrophobicContact CB-CD2 4.3Å; V17-L47 HydrophobicContact CG1-CD2 4.06Å; V17-L47 HydrophobicContact CG2-CD2 4.3Å; V17-D50 HydrophobicContact CG2-CB 3.63Å; V17-I51 HydrophobicContact CG1-CD1 4.25Å; V17-I51 HydrophobicContact CG1-CG1 3.9Å; V17-I51 HydrophobicContact CG2-CG1 4.49Å; V17-I54 HydrophobicContact CB-CD1 4.38Å; V17-I54 HydrophobicContact CG2-CD1 3.81Å; V17-Y91 HydrophobicContact CG1-CD2 3.9Å; V17-Y91 HydrophobicContact CG1-CE2 4.29Å; V17-Y91 HydrophobicContact CG1-CG 4.19Å
18S90Very high87.8Confident52 Ų5255.7 Ų55.736%0.36430%0.302SS..Hα-helixtrans-59.3-44.5177.6-163.20000112.6L14 H15 I21 G22 Y91L14-S18 PolarHBondContact O-N 2.8Å; H15-S18 WeakPolarHBondContact O-CB 3.41Å; H15-S18 PolarHBondContact O-N 3.19Å; S18-I21 PolarHBondContact O-N 2.76Å; S18-G22 PolarHBondContact O-N 3.07Å; S18-Y91 VanDerWaalsContact CB-OH 3.23Å; S18-Y91 WeakPolarHBondContact CB-OH 3.27Å; S18-Y91 PolarHBondContact OG-OH 3.3Å
19E88.8Confident87.6Confident109 Ų10957 Ų5751%0.50931%0.305SS..Hα-helixtrans-65.7-44.8178.1-175.1177.3176.200111.4H15 T16 V17 I21 G22 Q23H15-E19 PolarHBondContact O-N 2.77Å; T16-E19 PolarHBondContact O-N 3.35Å; V17-E19 VanDerWaalsContact C-N 3.35Å; V17-E19 PolarHBondContact O-N 2.9Å; E19-I21 VanDerWaalsContact C-N 3.3Å; E19-I21 PolarHBondContact O-N 3.4Å; E19-G22 PolarHBondContact O-N 2.85Å; E19-G22 VanDerWaalsContact O-N 3.11Å; E19-Q23 WeakPolarHBondContact O-CG 3.49Å; E19-Q23 PolarHBondContact O-N 3.41Å
20S88.3Confident87.4Confident20 Ų2056 Ų5614%0.1431%0.308CS..Hα-helixtrans-64.8-32.7178.9-62.30000112.2T16 V17 Q23 L24 L47T16-S20 VanDerWaalsContact O-CB 3.26Å; T16-S20 WeakPolarHBondContact O-CB 3.22Å; T16-S20 PolarHBondContact O-N 2.78Å; T16-S20 PolarHBondContact O-OG 2.87Å; V17-S20 PolarHBondContact O-N 2.86Å; S20-Q23 PolarHBondContact O-N 3.29Å; S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 2.76Å; S20-L47 VanDerWaalsContact CB-CD2 3.42Å
21I88.6Confident87.1Confident7 Ų756 Ų564%0.03631%0.308CS..Hα-helixtrans-64.8-42.3172.1-72.7166.8000110.8V17 S18 E19 Q23 L24 E25 L47 Y91 L95 I98V17-I21 HydrophobicContact CG1-CD1 3.74Å; V17-I21 HydrophobicContact CG1-CG1 4.42Å; V17-I21 VanDerWaalsContact O-CG1 3.26Å; V17-I21 WeakPolarHBondContact O-CG1 3.35Å; V17-I21 PolarHBondContact O-N 3.07Å; S18-I21 PolarHBondContact O-N 2.76Å; E19-I21 VanDerWaalsContact C-N 3.3Å; E19-I21 PolarHBondContact O-N 3.4Å; I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 PolarHBondContact O-N 3.1Å; I21-L24 WeakPolarHBondContact O-CB 3.23Å; I21-L24 PolarHBondContact O-N 3.45Å; I21-E25 WeakPolarHBondContact O-CG 3.17Å; I21-E25 PolarHBondContact O-N 3.26Å; I21-L47 HydrophobicContact CG1-CD1 3.82Å; I21-L47 HydrophobicContact CG1-CD2 4.03Å; I21-Y91 HydrophobicContact CD1-CD1 3.27Å; I21-Y91 HydrophobicContact CD1-CE1 3.95Å; I21-Y91 HydrophobicContact CD1-CG 3.61Å; I21-L95 HydrophobicContact CG1-CD2 4.29Å; I21-I98 HydrophobicContact CG2-CD1 3.79Å
22G87.3Confident86.8Confident36 Ų3658.6 Ų58.637%0.37132%0.319SS..Hα-helixtrans-62.9-38.7174.500000112.7S18 E19 E25 S26S18-G22 PolarHBondContact O-N 3.07Å; E19-G22 PolarHBondContact O-N 2.85Å; E19-G22 VanDerWaalsContact O-N 3.11Å; G22-E25 PolarHBondContact O-N 2.94Å; G22-S26 PolarHBondContact O-N 3.47Å; G22-S26 VanDerWaalsContact O-N 3.07Å
23Q87.4Confident86.2Confident94 Ų9457.1 Ų57.144%0.43931%0.31SS..Hα-helixtrans-63.4-43172.8-67.1175.84.500111.5E19 S20 I21 E25 S26 M27E19-Q23 WeakPolarHBondContact O-CG 3.49Å; E19-Q23 PolarHBondContact O-N 3.41Å; S20-Q23 PolarHBondContact O-N 3.29Å; I21-Q23 VanDerWaalsContact C-N 3.32Å; I21-Q23 PolarHBondContact O-N 3.1Å; Q23-E25 PolarHBondContact O-N 2.84Å; Q23-S26 PolarHBondContact O-N 3.32Å; Q23-M27 VanDerWaalsContact O-CG 3.32Å; Q23-M27 WeakPolarHBondContact O-CG 3.46Å; Q23-M27 PolarHBondContact O-N 2.93Å
24L87Confident85.7Confident1 Ų160.1 Ų60.11%0.00533%0.334CS..Hα-helixtrans-58.1-46.7176.3-173.565.1000111.6S20 I21 M27 I28 I40 L43 Y44 L47 L95 I98S20-L24 WeakPolarHBondContact O-CB 3.35Å; S20-L24 PolarHBondContact O-N 2.76Å; I21-L24 WeakPolarHBondContact O-CB 3.23Å; I21-L24 PolarHBondContact O-N 3.45Å; L24-M27 PolarHBondContact O-N 3.49Å; L24-I28 HydrophobicContact CD1-CD1 4.23Å; L24-I28 HydrophobicContact CG-CD1 3.93Å; L24-I28 WeakPolarHBondContact O-CD1 3.29Å; L24-I28 VanDerWaalsContact O-CG1 3.3Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 2.82Å; L24-I40 HydrophobicContact CD1-CB 4.34Å; L24-I40 HydrophobicContact CD1-CG2 3.61Å; L24-L43 HydrophobicContact CB-CD2 3.57Å; L24-L43 HydrophobicContact CD1-CB 4.45Å; L24-L43 HydrophobicContact CD1-CD2 3.64Å; L24-L43 HydrophobicContact CD2-CD2 4.45Å; L24-L43 HydrophobicContact CG-CD2 4.05Å; L24-Y44 HydrophobicContact CD2-CD2 4.14Å; L24-L47 HydrophobicContact CB-CD1 4.27Å; L24-L47 HydrophobicContact CD2-CD1 3.93Å; L24-L95 HydrophobicContact CD2-CD2 3.6Å; L24-I98 HydrophobicContact CD2-CG2 3.66Å; L24-I98 HydrophobicContact CG-CG2 3.93Å
25E86.3Confident85.4Confident71 Ų7165.1 Ų65.133%0.33236%0.36SS..Hα-helixtrans-61.1-45177.5-71.8-179162.800111.3I21 G22 Q23 I28 H29 N94 I98I21-E25 WeakPolarHBondContact O-CG 3.17Å; I21-E25 PolarHBondContact O-N 3.26Å; G22-E25 PolarHBondContact O-N 2.94Å; Q23-E25 PolarHBondContact O-N 2.84Å; E25-I28 PolarHBondContact O-N 3.31Å; E25-H29 PolarHBondContact O-CD2 3.36Å; E25-H29 PolarHBondContact O-N 3.44Å; E25-N94 PolarHBondContact OE1-ND2 2.97Å; E25-I98 HydrophobicContact CG-CD1 3.61Å; E25-I98 HydrophobicContact CG-CG1 3.93Å; E25-I98 WeakPolarHBondContact OE1-CD1 3.19Å
26S85Confident85.2Confident77 Ų7761.5 Ų61.554%0.53834%0.343SS..Hα-helixtrans-60.2-46176.1-174.30000112.3G22 Q23 I28 H29 S30G22-S26 PolarHBondContact O-N 3.47Å; G22-S26 VanDerWaalsContact O-N 3.07Å; Q23-S26 PolarHBondContact O-N 3.32Å; S26-I28 VanDerWaalsContact C-N 3.32Å; S26-I28 PolarHBondContact O-N 3.06Å; S26-H29 WeakPolarHBondContact O-CA 3.25Å; S26-H29 WeakPolarHBondContact O-CB 3.4Å; S26-H29 PolarHBondContact O-N 2.92Å; S26-H29 VanDerWaalsContact O-N 3.09Å; S26-S30 PolarHBondContact O-N 2.82Å; S26-S30 PolarHBondContact O-OG 3.31Å
27M82.8Confident84.9Confident44 Ų4460.7 Ų60.722%0.21734%0.337CS..Hα-helixtrans-62.5-38.7177.1-70.1176.674.900111.9Q23 L24 H29 S30 L31 E39 I40 L43Q23-M27 VanDerWaalsContact O-CG 3.32Å; Q23-M27 WeakPolarHBondContact O-CG 3.46Å; Q23-M27 PolarHBondContact O-N 2.93Å; L24-M27 PolarHBondContact O-N 3.49Å; M27-H29 VanDerWaalsContact C-N 3.31Å; M27-H29 PolarHBondContact O-N 2.88Å; M27-S30 PolarHBondContact O-N 3.36Å; M27-S30 PolarHBondContact O-OG 3.49Å; M27-S30 VanDerWaalsContact O-OG 3.13Å; M27-L31 PolarHBondContact O-N 3Å; M27-E39 HydrophobicContact CE-CB 3.74Å; M27-I40 HydrophobicContact CB-CD1 3.97Å; M27-I40 HydrophobicContact CB-CG1 3.7Å; M27-I40 HydrophobicContact CE-CG1 3.93Å; M27-L43 HydrophobicContact SD-CD1 4.08Å
28I84.9Confident84.7Confident10 Ų1064.1 Ų64.15%0.05136%0.355CS..Hα-helixtrans-67.1-34.9175-69.9162.2000110.9L24 E25 S26 L31 I40 I98 K102 K105L24-I28 HydrophobicContact CD1-CD1 4.23Å; L24-I28 HydrophobicContact CG-CD1 3.93Å; L24-I28 WeakPolarHBondContact O-CD1 3.29Å; L24-I28 VanDerWaalsContact O-CG1 3.3Å; L24-I28 WeakPolarHBondContact O-CG1 3.37Å; L24-I28 PolarHBondContact O-N 2.82Å; E25-I28 PolarHBondContact O-N 3.31Å; S26-I28 VanDerWaalsContact C-N 3.32Å; S26-I28 PolarHBondContact O-N 3.06Å; I28-L31 WeakPolarHBondContact O-CB 3.41Å; I28-L31 PolarHBondContact O-N 2.82Å; I28-I40 HydrophobicContact CD1-CG2 4.13Å; I28-I40 HydrophobicContact CG1-CD1 3.85Å; I28-I40 HydrophobicContact CG1-CG1 4.43Å; I28-I40 HydrophobicContact CG1-CG2 3.81Å; I28-I98 HydrophobicContact CD1-CB 4.49Å; I28-I98 HydrophobicContact CD1-CG2 3.07Å; I28-K102 HydrophobicContact CD1-CB 3.85Å; I28-K102 HydrophobicContact CD1-CG 4.32Å; I28-K102 HydrophobicContact CG1-CB 4.01Å; I28-K102 HydrophobicContact CG1-CG 4.12Å; I28-K102 HydrophobicContact CG2-CB 4.21Å; I28-K105 VanDerWaalsContact O-CD 3.22Å; I28-K105 WeakPolarHBondContact O-CD 3.45Å; I28-K105 PolarHBondContact O-NZ 3.47Å
29H82Confident84.6Confident146 Ų14666.5 Ų66.568%0.67636%0.36SS*.Hα-helixtrans-68.2-35.7174-79.1-62.6000113.2E25 S26 M27 K105E25-H29 PolarHBondContact O-CD2 3.36Å; E25-H29 PolarHBondContact O-N 3.44Å; S26-H29 WeakPolarHBondContact O-CA 3.25Å; S26-H29 WeakPolarHBondContact O-CB 3.4Å; S26-H29 PolarHBondContact O-N 2.92Å; S26-H29 VanDerWaalsContact O-N 3.09Å; M27-H29 VanDerWaalsContact C-N 3.31Å; M27-H29 PolarHBondContact O-N 2.88Å; H29-K105 PolarHBondContact O-NZ 3.37Å
30S84.2Confident84.6Confident73 Ų7361.4 Ų61.451%0.5134%0.336SS..Hα-helixtrans-83.2-12.9175.963.40000114.5S26 M27 K32S26-S30 PolarHBondContact O-N 2.82Å; S26-S30 PolarHBondContact O-OG 3.31Å; M27-S30 PolarHBondContact O-N 3.36Å; M27-S30 PolarHBondContact O-OG 3.49Å; M27-S30 VanDerWaalsContact O-OG 3.13Å; S30-K32 PolarHBondContact O-N 3.03Å
31L81.9Confident84.7Confident5 Ų562.4 Ų62.43%0.02634%0.34CS..  trans-45.8120-177.7-16659.4000114.4M27 I28 E36 I40 K102 K105 W106 I109M27-L31 PolarHBondContact O-N 3Å; I28-L31 WeakPolarHBondContact O-CB 3.41Å; I28-L31 PolarHBondContact O-N 2.82Å; L31-E36 WeakPolarHBondContact CA-OE2 3.17Å; L31-E36 HydrophobicContact CD1-CB 3.61Å; L31-I40 HydrophobicContact CB-CD1 4.41Å; L31-I40 HydrophobicContact CD1-CD1 3.35Å; L31-I40 HydrophobicContact CD2-CD1 4.2Å; L31-I40 HydrophobicContact CG-CD1 4.2Å; L31-K102 HydrophobicContact CD2-CG 4.3Å; L31-K105 HydrophobicContact CB-CD 4.18Å; L31-K105 HydrophobicContact CD2-CD 4.42Å; L31-K105 VanDerWaalsContact O-CE 3.29Å; L31-K105 WeakPolarHBondContact O-CE 3.35Å; L31-K105 PolarHBondContact O-NZ 2.99Å; L31-W106 HydrophobicContact CD1-CH2 3.82Å; L31-W106 HydrophobicContact CD1-CZ2 3Å; L31-W106 HydrophobicContact CD2-CD2 4Å; L31-W106 HydrophobicContact CD2-CG 4.09Å; L31-W106 HydrophobicContact CD2-CZ2 3.71Å; L31-W106 HydrophobicContact CG-CD2 4.31Å; L31-W106 VanDerWaalsContact CG-CE2 3.45Å; L31-W106 HydrophobicContact CG-CH2 3.86Å; L31-W106 HydrophobicContact CG-CZ2 3.26Å; L31-I109 WeakPolarHBondContact O-CD1 3.3Å
32K81.6Confident84.8Confident164 Ų16468 Ų6871%0.71336%0.364SS*.  trans-141.3-26.9-177.7-169.4176.4178.7-169.90113S30 E36S30-K32 PolarHBondContact O-N 3.03Å; K32-E36 PolarHBondContact N-OE2 2.8Å
33S78.2Confident85Confident50 Ų5067.6 Ų67.635%0.3535%0.353SS..SBendtrans-130.7148.3-175.170.70000114.2L35 E36 L37 W106S33-L35 PolarHBondContact O-N 2.74Å; S33-E36 PolarHBondContact N-OE2 3.35Å; S33-E36 WeakPolarHBondContact O-CB 3.38Å; S33-E36 PolarHBondContact O-N 3.3Å; S33-L37 PolarHBondContact O-N 2.77Å; S33-W106 WeakPolarHBondContact O-CH2 3.49Å; S33-W106 VanDerWaalsContact O-CZ2 3.25Å; S33-W106 WeakPolarHBondContact O-CZ2 3.48Å
34S78.5Confident85.2Confident98 Ų9865 Ų6569%0.68534%0.34SS*.Hα-helixtrans-57.3-24.6-176.557.90000113.6L37 D38S34-L37 VanDerWaalsContact O-CB 3.27Å; S34-L37 WeakPolarHBondContact O-CB 3.47Å; S34-L37 PolarHBondContact O-N 3.1Å; S34-D38 PolarHBondContact O-N 2.74Å
35L82.1Confident85.5Confident118 Ų11870.7 Ų70.762%0.61837%0.366SS*.Hα-helixtrans-63.7-42.5173.4-178.663000112.2S33 L37 D38 E39S33-L35 PolarHBondContact O-N 2.74Å; L35-L37 PolarHBondContact O-N 2.95Å; L35-D38 PolarHBondContact O-N 3.47Å; L35-E39 PolarHBondContact O-N 3.25Å
36E83Confident85.8Confident57 Ų5774.9 Ų74.927%0.26638%0.379SS..Hα-helixtrans-66.8-27.7176.9-65.4167.2154.900111.2L31 K32 S33 D38 E39 I40L31-E36 WeakPolarHBondContact CA-OE2 3.17Å; L31-E36 HydrophobicContact CD1-CB 3.61Å; K32-E36 PolarHBondContact N-OE2 2.8Å; S33-E36 PolarHBondContact N-OE2 3.35Å; S33-E36 WeakPolarHBondContact O-CB 3.38Å; S33-E36 PolarHBondContact O-N 3.3Å; E36-D38 VanDerWaalsContact C-N 3.31Å; E36-D38 PolarHBondContact O-N 2.84Å; E36-E39 PolarHBondContact O-N 3.38Å; E36-I40 WeakPolarHBondContact O-CB 3.47Å; E36-I40 WeakPolarHBondContact O-CD1 3.33Å; E36-I40 WeakPolarHBondContact O-CG1 3.42Å; E36-I40 PolarHBondContact O-N 2.84Å
37L85.4Confident86.2Confident43 Ų4371.3 Ų71.323%0.22535%0.354CS..Hα-helixtrans-61-42.9173.5-177.845.6000111.5S33 S34 L35 I40 N41 K102 W106S33-L37 PolarHBondContact O-N 2.77Å; S34-L37 VanDerWaalsContact O-CB 3.27Å; S34-L37 WeakPolarHBondContact O-CB 3.47Å; S34-L37 PolarHBondContact O-N 3.1Å; L35-L37 PolarHBondContact O-N 2.95Å; L37-I40 PolarHBondContact O-N 3.41Å; L37-N41 WeakPolarHBondContact O-CB 3.34Å; L37-N41 PolarHBondContact O-N 3.33Å; L37-N41 PolarHBondContact O-ND2 3.4Å; L37-K102 HydrophobicContact CD1-CD 3.76Å; L37-K102 HydrophobicContact CD1-CG 4.17Å; L37-W106 HydrophobicContact CB-CD2 4.49Å; L37-W106 VanDerWaalsContact CB-CE2 3.47Å; L37-W106 HydrophobicContact CB-CH2 4.47Å; L37-W106 HydrophobicContact CB-CZ2 3.4Å; L37-W106 HydrophobicContact CD1-CG 4.37Å; L37-W106 HydrophobicContact CD2-CD2 4.08Å; L37-W106 HydrophobicContact CD2-CG 4.17Å; L37-W106 HydrophobicContact CD2-CZ2 4.42Å; L37-W106 HydrophobicContact CG-CZ2 4.29Å
38D85.8Confident86.6Confident71 Ų7172.2 Ų72.238%0.3836%0.36SS..Hα-helixtrans-66.5-41.3-178.2-176.356.8000110.8S34 L35 E36 N41 K42S34-D38 PolarHBondContact O-N 2.74Å; L35-D38 PolarHBondContact O-N 3.47Å; E36-D38 VanDerWaalsContact C-N 3.31Å; E36-D38 PolarHBondContact O-N 2.84Å; D38-N41 PolarHBondContact O-N 3.18Å; D38-K42 WeakPolarHBondContact O-CB 3.3Å; D38-K42 VanDerWaalsContact O-CG 3.29Å; D38-K42 WeakPolarHBondContact O-CG 3.3Å; D38-K42 PolarHBondContact O-N 3.34Å; D38-K42 WeakPolarHBondContact OD2-CE 3.4Å; D38-K42 IonicContact OD2-NZ 3.3Å; D38-K42 PolarHBondContact OD2-NZ 3.15Å
39E88.4Confident87.1Confident103 Ų10377.6 Ų77.648%0.48138%0.384SS..Hα-helixtrans-63-43.8173.9-63.8-169.715700112.2M27 L35 E36 N41 K42 L43M27-E39 HydrophobicContact CE-CB 3.74Å; L35-E39 PolarHBondContact O-N 3.25Å; E36-E39 PolarHBondContact O-N 3.38Å; E39-N41 PolarHBondContact O-N 3.05Å; E39-K42 PolarHBondContact O-N 2.96Å; E39-L43 WeakPolarHBondContact O-CB 3.34Å; E39-L43 PolarHBondContact O-N 3.07Å
40I88.7Confident87.6Confident1 Ų172.1 Ų72.11%0.00536%0.36CS..Hα-helixtrans-61.7-43.2175.1-72.4169000110.9L24 M27 I28 L31 E36 L37 L43 Y44 K102L24-I40 HydrophobicContact CD1-CB 4.34Å; L24-I40 HydrophobicContact CD1-CG2 3.61Å; M27-I40 HydrophobicContact CB-CD1 3.97Å; M27-I40 HydrophobicContact CB-CG1 3.7Å; M27-I40 HydrophobicContact CE-CG1 3.93Å; I28-I40 HydrophobicContact CD1-CG2 4.13Å; I28-I40 HydrophobicContact CG1-CD1 3.85Å; I28-I40 HydrophobicContact CG1-CG1 4.43Å; I28-I40 HydrophobicContact CG1-CG2 3.81Å; L31-I40 HydrophobicContact CB-CD1 4.41Å; L31-I40 HydrophobicContact CD1-CD1 3.35Å; L31-I40 HydrophobicContact CD2-CD1 4.2Å; L31-I40 HydrophobicContact CG-CD1 4.2Å; E36-I40 WeakPolarHBondContact O-CB 3.47Å; E36-I40 WeakPolarHBondContact O-CD1 3.33Å; E36-I40 WeakPolarHBondContact O-CG1 3.42Å; E36-I40 PolarHBondContact O-N 2.84Å; L37-I40 PolarHBondContact O-N 3.41Å; I40-L43 PolarHBondContact O-N 3.44Å; I40-Y44 VanDerWaalsContact O-CB 3.26Å; I40-Y44 WeakPolarHBondContact O-CB 3.49Å; I40-Y44 PolarHBondContact O-N 3.33Å; I40-K102 HydrophobicContact CG2-CD 3.46Å; I40-K102 VanDerWaalsContact CG2-CD 3.46Å; I40-K102 HydrophobicContact CG2-CG 4.01Å
41N89.4Confident88Confident41 Ų4168.6 Ų68.622%0.21934%0.336CS..Hα-helixtrans-64.5-44177.5-74.5-22.7000111.4L37 D38 E39 L43 Y44 H45 K102L37-N41 WeakPolarHBondContact O-CB 3.34Å; L37-N41 PolarHBondContact O-N 3.33Å; L37-N41 PolarHBondContact O-ND2 3.4Å; D38-N41 PolarHBondContact O-N 3.18Å; E39-N41 PolarHBondContact O-N 3.05Å; N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 3.48Å; N41-Y44 WeakPolarHBondContact O-CB 3.3Å; N41-Y44 PolarHBondContact O-N 2.82Å; N41-H45 WeakPolarHBondContact O-CB 3.48Å; N41-H45 PolarHBondContact O-CD2 3.49Å; N41-H45 PolarHBondContact O-N 3.24Å; N41-K102 PolarHBondContact OD1-NZ 3.3Å
42K91Very high88.6Confident125 Ų12572.8 Ų72.854%0.54336%0.355SS..Hα-helixtrans-58.7-44.8174.7-76.1166.6175.1164.40111.4D38 E39 H45 R46D38-K42 WeakPolarHBondContact O-CB 3.3Å; D38-K42 VanDerWaalsContact O-CG 3.29Å; D38-K42 WeakPolarHBondContact O-CG 3.3Å; D38-K42 PolarHBondContact O-N 3.34Å; D38-K42 WeakPolarHBondContact OD2-CE 3.4Å; D38-K42 IonicContact OD2-NZ 3.3Å; D38-K42 PolarHBondContact OD2-NZ 3.15Å; E39-K42 PolarHBondContact O-N 2.96Å; K42-H45 PolarHBondContact O-N 2.82Å; K42-R46 WeakPolarHBondContact O-CB 3.43Å; K42-R46 PolarHBondContact O-N 2.84Å
43L91.7Very high89.1Confident27 Ų2768 Ų6814%0.14134%0.338CS..Hα-helixtrans-67.5-40.6178.2-167.9146.4000111.6L24 M27 E39 I40 N41 R46 L47L24-L43 HydrophobicContact CB-CD2 3.57Å; L24-L43 HydrophobicContact CD1-CB 4.45Å; L24-L43 HydrophobicContact CD1-CD2 3.64Å; L24-L43 HydrophobicContact CD2-CD2 4.45Å; L24-L43 HydrophobicContact CG-CD2 4.05Å; M27-L43 HydrophobicContact SD-CD1 4.08Å; E39-L43 WeakPolarHBondContact O-CB 3.34Å; E39-L43 PolarHBondContact O-N 3.07Å; I40-L43 PolarHBondContact O-N 3.44Å; N41-L43 VanDerWaalsContact C-N 3.32Å; N41-L43 PolarHBondContact O-N 3.48Å; L43-R46 PolarHBondContact O-N 2.82Å; L43-L47 HydrophobicContact CD2-CD1 3.49Å; L43-L47 VanDerWaalsContact CD2-CD1 3.49Å; L43-L47 HydrophobicContact CD2-CG 4.11Å; L43-L47 WeakPolarHBondContact O-CB 3.12Å; L43-L47 WeakPolarHBondContact O-CG 3.37Å; L43-L47 PolarHBondContact O-N 3.01Å
44Y91.5Very high89.7Confident41 Ų4165.7 Ų65.716%0.16132%0.321CS..Hα-helixtrans-59.2-46.7173.4178.5-91.6000112.2L24 I40 N41 L47 N48 L95 D99L24-Y44 HydrophobicContact CD2-CD2 4.14Å; I40-Y44 VanDerWaalsContact O-CB 3.26Å; I40-Y44 WeakPolarHBondContact O-CB 3.49Å; I40-Y44 PolarHBondContact O-N 3.33Å; N41-Y44 WeakPolarHBondContact O-CB 3.3Å; N41-Y44 PolarHBondContact O-N 2.82Å; Y44-L47 PolarHBondContact O-N 3.46Å; Y44-N48 WeakPolarHBondContact O-CB 3.28Å; Y44-N48 PolarHBondContact O-N 3.41Å; Y44-L95 HydrophobicContact CD2-CD2 3.93Å; Y44-L95 HydrophobicContact CE2-CB 3.84Å; Y44-L95 HydrophobicContact CE2-CD2 4.06Å; Y44-L95 HydrophobicContact CE2-CG 4.43Å; Y44-L95 WeakPolarHBondContact CE2-O 3.36Å; Y44-D99 HydrophobicContact CE2-CB 3.86Å
45H92.1Very high90.4Very high120 Ų12062.5 Ų62.556%0.55630%0.296SS*.Hα-helixtrans-63.9-41.6177-71.1-53.7000112N41 K42 N48 Q49N41-H45 WeakPolarHBondContact O-CB 3.48Å; N41-H45 PolarHBondContact O-CD2 3.49Å; N41-H45 PolarHBondContact O-N 3.24Å; K42-H45 PolarHBondContact O-N 2.82Å; H45-N48 PolarHBondContact O-N 2.78Å; H45-Q49 PolarHBondContact O-N 2.81Å
46R93.5Very high90.8Very high159 Ų15959 Ų5960%0.628%0.282SS*.Hα-helixtrans-59.8-49174.2-178.7-179.2-63.1171.51.5111.5K42 L43 N48 Q49 D50K42-R46 WeakPolarHBondContact O-CB 3.43Å; K42-R46 PolarHBondContact O-N 2.84Å; L43-R46 PolarHBondContact O-N 2.82Å; R46-N48 VanDerWaalsContact C-N 3.32Å; R46-N48 PolarHBondContact O-N 2.87Å; R46-Q49 WeakPolarHBondContact O-CB 3.29Å; R46-Q49 PolarHBondContact O-N 2.75Å; R46-Q49 VanDerWaalsContact O-N 3.11Å; R46-D50 PolarHBondContact O-N 2.83Å
47L92.8Very high91.1Very high2 Ų256.9 Ų56.91%0.0127%0.272CS..Hα-helixtrans-57.6-44.5176.9-85174.4000112.3V17 S20 I21 L24 L43 Y44 Q49 D50 I51 L95V17-L47 HydrophobicContact CB-CD2 4.3Å; V17-L47 HydrophobicContact CG1-CD2 4.06Å; V17-L47 HydrophobicContact CG2-CD2 4.3Å; S20-L47 VanDerWaalsContact CB-CD2 3.42Å; I21-L47 HydrophobicContact CG1-CD1 3.82Å; I21-L47 HydrophobicContact CG1-CD2 4.03Å; L24-L47 HydrophobicContact CB-CD1 4.27Å; L24-L47 HydrophobicContact CD2-CD1 3.93Å; L43-L47 HydrophobicContact CD2-CD1 3.49Å; L43-L47 VanDerWaalsContact CD2-CD1 3.49Å; L43-L47 HydrophobicContact CD2-CG 4.11Å; L43-L47 WeakPolarHBondContact O-CB 3.12Å; L43-L47 WeakPolarHBondContact O-CG 3.37Å; L43-L47 PolarHBondContact O-N 3.01Å; Y44-L47 PolarHBondContact O-N 3.46Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 3.21Å; L47-D50 PolarHBondContact O-N 2.68Å; L47-I51 VanDerWaalsContact O-CG1 3.31Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.91Å; L47-L95 HydrophobicContact CB-CD1 4.17Å; L47-L95 HydrophobicContact CB-CD2 4.33Å; L47-L95 HydrophobicContact CD1-CD2 3.92Å
48N92.9Very high91.3Very high63 Ų6354.8 Ų54.834%0.33726%0.261SS..Hα-helixtrans-63.2-40.5176.9-166.850.1000111.3Y44 H45 R46 I51 Q52Y44-N48 WeakPolarHBondContact O-CB 3.28Å; Y44-N48 PolarHBondContact O-N 3.41Å; H45-N48 PolarHBondContact O-N 2.78Å; R46-N48 VanDerWaalsContact C-N 3.32Å; R46-N48 PolarHBondContact O-N 2.87Å; N48-I51 PolarHBondContact O-N 3.49Å; N48-Q52 WeakPolarHBondContact O-CG 3.22Å; N48-Q52 PolarHBondContact O-N 3.34Å
49Q93.5Very high91.5Very high122 Ų12255.3 Ų55.357%0.5726%0.264SS*.Hα-helixtrans-63.8-42.2174.8-173.3175.27.300112.1H45 R46 L47 Q52 N53H45-Q49 PolarHBondContact O-N 2.81Å; R46-Q49 WeakPolarHBondContact O-CB 3.29Å; R46-Q49 PolarHBondContact O-N 2.75Å; R46-Q49 VanDerWaalsContact O-N 3.11Å; L47-Q49 VanDerWaalsContact C-N 3.32Å; L47-Q49 PolarHBondContact O-N 3.21Å; Q49-Q52 PolarHBondContact O-N 3.26Å; Q49-N53 PolarHBondContact O-N 3.21Å; Q49-N53 PolarHBondContact O-ND2 3.31Å
50D93.5Very high91.5Very high31 Ų3157.2 Ų57.217%0.16627%0.267CS..Hα-helixtrans-64.9-40.5177.5-71.8-26.2000111.9L13 V17 R46 L47 Q52 N53 I54L13-D50 HydrophobicContact CD1-CB 4.29Å; V17-D50 HydrophobicContact CG2-CB 3.63Å; R46-D50 PolarHBondContact O-N 2.83Å; L47-D50 PolarHBondContact O-N 2.68Å; D50-Q52 PolarHBondContact O-N 3.39Å; D50-N53 WeakPolarHBondContact O-CB 3.33Å; D50-N53 PolarHBondContact O-N 3.49Å; D50-I54 VanDerWaalsContact O-CG1 3.3Å; D50-I54 WeakPolarHBondContact O-CG1 3.49Å; D50-I54 PolarHBondContact O-N 3.48Å
51I93.5Very high91.4Very high0 Ų057.4 Ų57.40%027%0.268CS..Hα-helixtrans-62.3-42.5173.7-69.2166.6000111.2V17 L47 N48 N53 I54 N55 C88 E92 L95V17-I51 HydrophobicContact CG1-CD1 4.25Å; V17-I51 HydrophobicContact CG1-CG1 3.9Å; V17-I51 HydrophobicContact CG2-CG1 4.49Å; L47-I51 VanDerWaalsContact O-CG1 3.31Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.91Å; N48-I51 PolarHBondContact O-N 3.49Å; I51-N53 VanDerWaalsContact C-N 3.32Å; I51-N53 PolarHBondContact O-N 3.01Å; I51-I54 PolarHBondContact O-N 3.25Å; I51-N55 PolarHBondContact O-N 3.1Å; I51-C88 HydrophobicContact CG2-CB 4.37Å; I51-E92 HydrophobicContact CG2-CG 3.67Å; I51-L95 HydrophobicContact CD1-CD1 3.36Å; I51-L95 HydrophobicContact CD1-CG 4.46Å
52Q92.9Very high91.3Very high93 Ų9358.2 Ų58.244%0.43528%0.277SS..Hα-helixtrans-62.9-39.4174-66-54-31.300111.9N48 Q49 D50 N55 S56N48-Q52 WeakPolarHBondContact O-CG 3.22Å; N48-Q52 PolarHBondContact O-N 3.34Å; Q49-Q52 PolarHBondContact O-N 3.26Å; D50-Q52 PolarHBondContact O-N 3.39Å; Q52-N55 PolarHBondContact O-N 2.76Å; Q52-S56 WeakPolarHBondContact O-CB 3.41Å; Q52-S56 PolarHBondContact O-N 3.4Å
53N92.7Very high91Very high64 Ų6456.7 Ų56.734%0.34228%0.278SS..Hα-helixtrans-61.1-44.6173.7-68.1-29.5000111.1L13 Q49 D50 I51 S56 N57L13-N53 HydrophobicContact CD2-CB 4.16Å; Q49-N53 PolarHBondContact O-N 3.21Å; Q49-N53 PolarHBondContact O-ND2 3.31Å; D50-N53 WeakPolarHBondContact O-CB 3.33Å; D50-N53 PolarHBondContact O-N 3.49Å; I51-N53 VanDerWaalsContact C-N 3.32Å; I51-N53 PolarHBondContact O-N 3.01Å; N53-S56 PolarHBondContact O-N 2.92Å; N53-S56 PolarHBondContact O-OG 3.42Å; N53-N57 WeakPolarHBondContact O-CB 3Å; N53-N57 VanDerWaalsContact O-CG 3.25Å; N53-N57 PolarHBondContact O-N 2.87Å; N53-N57 PolarHBondContact O-ND2 3.13Å
54I91.5Very high90.6Very high0 Ų057.7 Ų57.70%028%0.283CS..Hα-helixtrans-61.2-46.4175.5-63.7165.9000110.9T10 L13 L14 V17 D50 I51 S56 N57 C58 T84 C88T10-I54 HydrophobicContact CG2-CG2 3.75Å; L13-I54 HydrophobicContact CB-CD1 4.41Å; L13-I54 HydrophobicContact CB-CG1 4.11Å; L13-I54 HydrophobicContact CD2-CD1 4.28Å; L13-I54 HydrophobicContact CD2-CG1 3.44Å; L13-I54 VanDerWaalsContact CD2-CG1 3.44Å; L13-I54 HydrophobicContact CG-CD1 3.95Å; L13-I54 HydrophobicContact CG-CG1 3.64Å; L14-I54 HydrophobicContact CB-CD1 4.45Å; L14-I54 HydrophobicContact CD1-CD1 4.13Å; V17-I54 HydrophobicContact CB-CD1 4.38Å; V17-I54 HydrophobicContact CG2-CD1 3.81Å; D50-I54 VanDerWaalsContact O-CG1 3.3Å; D50-I54 WeakPolarHBondContact O-CG1 3.49Å; D50-I54 PolarHBondContact O-N 3.48Å; I51-I54 PolarHBondContact O-N 3.25Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 2.83Å; I54-N57 CarbonylContact O-C 3.55Å; I54-N57 WeakPolarHBondContact O-CB 3.43Å; I54-N57 PolarHBondContact O-N 3.09Å; I54-C58 WeakPolarHBondContact O-CB 3.47Å; I54-C58 PolarHBondContact O-N 3.36Å; I54-C58 PolarHBondContact O-SG 2.85Å; I54-T84 HydrophobicContact CG2-CG2 4Å; I54-C88 WeakPolarHBondContact CG2-SG 3.35Å
55N92.1Very high90.2Very high31 Ų3156.4 Ų56.417%0.16628%0.279CS..Hα-helixtrans-59.2-45.9177.6-79.2-28.3000111.3I51 Q52 N57 C58 D59 E92I51-N55 PolarHBondContact O-N 3.1Å; Q52-N55 PolarHBondContact O-N 2.76Å; N55-N57 VanDerWaalsContact C-N 3.33Å; N55-N57 PolarHBondContact O-N 2.8Å; N55-C58 WeakPolarHBondContact O-CA 3.39Å; N55-C58 VanDerWaalsContact O-CB 3.32Å; N55-C58 WeakPolarHBondContact O-CB 3.28Å; N55-C58 PolarHBondContact O-N 3.5Å; N55-C58 VanDerWaalsContact O-N 3.09Å; N55-D59 PolarHBondContact O-N 3.35Å; N55-E92 PolarHBondContact ND2-OE1 3.33Å
56S91.5Very high89.4Confident44 Ų4454.5 Ų54.531%0.30828%0.279SS..Hα-helixtrans-63.1-37.9176.479.80000112.7Q52 N53 I54 C58 D59 R60Q52-S56 WeakPolarHBondContact O-CB 3.41Å; Q52-S56 PolarHBondContact O-N 3.4Å; N53-S56 PolarHBondContact O-N 2.92Å; N53-S56 PolarHBondContact O-OG 3.42Å; I54-S56 VanDerWaalsContact C-N 3.35Å; I54-S56 PolarHBondContact O-N 2.83Å; S56-C58 VanDerWaalsContact C-N 3.34Å; S56-D59 PolarHBondContact O-N 2.82Å; S56-R60 WeakPolarHBondContact O-CG 2.95Å; S56-R60 PolarHBondContact O-N 3.27Å
57N89.1Confident88.6Confident13 Ų1351.5 Ų51.57%0.0728%0.279CS..Hα-helixtrans-66.8-37.1173.6-73.2-21.4000111L6 T10 N53 I54 N55 D59 R60 L61L6-N57 HydrophobicContact CD1-CB 4.23Å; T10-N57 HydrophobicContact CG2-CB 4.32Å; N53-N57 WeakPolarHBondContact O-CB 3Å; N53-N57 VanDerWaalsContact O-CG 3.25Å; N53-N57 PolarHBondContact O-N 2.87Å; N53-N57 PolarHBondContact O-ND2 3.13Å; I54-N57 CarbonylContact O-C 3.55Å; I54-N57 WeakPolarHBondContact O-CB 3.43Å; I54-N57 PolarHBondContact O-N 3.09Å; N55-N57 VanDerWaalsContact C-N 3.33Å; N55-N57 PolarHBondContact O-N 2.8Å; N57-D59 VanDerWaalsContact C-N 3.32Å; N57-D59 PolarHBondContact O-N 2.85Å; N57-R60 PolarHBondContact O-N 2.8Å; N57-L61 WeakPolarHBondContact O-CB 3.38Å; N57-L61 VanDerWaalsContact O-CG 3.27Å; N57-L61 WeakPolarHBondContact O-CG 3.33Å; N57-L61 PolarHBondContact O-N 3.33Å
58C89.6Confident87.7Confident0 Ų052.5 Ų52.50%029%0.285CS..Hα-helixtrans-65-35174.1-710000112.3I54 N55 S56 S62 L81 R85I54-C58 WeakPolarHBondContact O-CB 3.47Å; I54-C58 PolarHBondContact O-N 3.36Å; I54-C58 PolarHBondContact O-SG 2.85Å; N55-C58 WeakPolarHBondContact O-CA 3.39Å; N55-C58 VanDerWaalsContact O-CB 3.32Å; N55-C58 WeakPolarHBondContact O-CB 3.28Å; N55-C58 PolarHBondContact O-N 3.5Å; N55-C58 VanDerWaalsContact O-N 3.09Å; S56-C58 VanDerWaalsContact C-N 3.34Å; C58-S62 WeakPolarHBondContact O-CB 3.25Å; C58-S62 PolarHBondContact O-N 2.95Å; C58-L81 HydrophobicContact CB-CD1 3.65Å; C58-R85 VanDerWaalsContact C-NH2 3.31Å; C58-R85 HydrophobicContact CB-CG 4.13Å; C58-R85 PolarHBondContact O-NH2 2.9Å
59D89.7Confident86.3Confident82 Ų8255.9 Ų55.944%0.43930%0.299SS..Hα-helixtrans-67.5-43.8173-66.4-30.3000111.2N55 S56 N57 L61 S62 T63 R85N55-D59 PolarHBondContact O-N 3.35Å; S56-D59 PolarHBondContact O-N 2.82Å; N57-D59 VanDerWaalsContact C-N 3.32Å; N57-D59 PolarHBondContact O-N 2.85Å; D59-L61 PolarHBondContact O-N 2.97Å; D59-S62 VanDerWaalsContact O-CB 3.32Å; D59-S62 WeakPolarHBondContact O-CB 3.3Å; D59-S62 PolarHBondContact O-N 3.13Å; D59-S62 VanDerWaalsContact O-N 3.15Å; D59-T63 PolarHBondContact O-N 3.03Å; D59-R85 IonicContact OD1-CZ 2.63Å; D59-R85 VanDerWaalsContact OD1-CZ 3.23Å; D59-R85 IonicContact OD1-NH1 3.91Å; D59-R85 PolarHBondContact OD1-NH1 3.36Å; D59-R85 IonicContact OD1-NH2 2.64Å; D59-R85 PolarHBondContact OD1-NH2 3.41Å
60R88.6Confident85.2Confident142 Ų14253.9 Ų53.954%0.53630%0.297SS..Hα-helixtrans-62.8-40.3173.1-68.7173.2-179-176.70.6112.7L6 S56 N57 S62 T63 L64L6-R60 HydrophobicContact CD2-CB 3.8Å; S56-R60 WeakPolarHBondContact O-CG 2.95Å; S56-R60 PolarHBondContact O-N 3.27Å; N57-R60 PolarHBondContact O-N 2.8Å; R60-S62 VanDerWaalsContact C-N 3.29Å; R60-S62 PolarHBondContact O-N 2.71Å; R60-T63 PolarHBondContact O-N 3.08Å; R60-T63 PolarHBondContact O-OG1 2.94Å; R60-L64 WeakPolarHBondContact O-CB 3.35Å; R60-L64 VanDerWaalsContact O-CG 3.27Å; R60-L64 WeakPolarHBondContact O-CG 3.4Å; R60-L64 PolarHBondContact O-N 3.46Å
61L86.7Confident84.1Confident5 Ų559.3 Ų59.33%0.02632%0.316CS..Hα-helixtrans-64.5-37.6173.8-74.3169.7000110.7Y3 L6 T10 N57 D59 L64 L65 L81Y3-L61 HydrophobicContact CD2-CD2 3.7Å; Y3-L61 HydrophobicContact CE1-CD2 4.45Å; Y3-L61 HydrophobicContact CE2-CB 4.05Å; Y3-L61 HydrophobicContact CE2-CD2 3.62Å; Y3-L61 HydrophobicContact CE2-CG 4.45Å; Y3-L61 WeakPolarHBondContact CE2-O 3.4Å; Y3-L61 HydrophobicContact CG-CD2 4.18Å; L6-L61 HydrophobicContact CB-CD2 3.84Å; L6-L61 HydrophobicContact CD2-CD2 3.79Å; L6-L61 HydrophobicContact CD2-CG 3.77Å; L6-L61 HydrophobicContact CG-CD1 4.45Å; L6-L61 HydrophobicContact CG-CD2 3.78Å; L6-L61 HydrophobicContact CG-CG 3.9Å; T10-L61 HydrophobicContact CG2-CD1 4.36Å; N57-L61 WeakPolarHBondContact O-CB 3.38Å; N57-L61 VanDerWaalsContact O-CG 3.27Å; N57-L61 WeakPolarHBondContact O-CG 3.33Å; N57-L61 PolarHBondContact O-N 3.33Å; D59-L61 PolarHBondContact O-N 2.97Å; L61-L64 PolarHBondContact O-N 3.48Å; L61-L65 VanDerWaalsContact O-CB 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.44Å; L61-L65 PolarHBondContact O-N 3.09Å; L61-L81 HydrophobicContact CB-CD1 4.03Å; L61-L81 HydrophobicContact CD1-CD1 4.38Å
62S86.3Confident83.1Confident58 Ų5863.5 Ų63.541%0.40635%0.345SS..Hα-helixtrans-63.5-39.9175.6-1670000112.4C58 D59 R60C58-S62 WeakPolarHBondContact O-CB 3.25Å; C58-S62 PolarHBondContact O-N 2.95Å; D59-S62 VanDerWaalsContact O-CB 3.32Å; D59-S62 WeakPolarHBondContact O-CB 3.3Å; D59-S62 PolarHBondContact O-N 3.13Å; D59-S62 VanDerWaalsContact O-N 3.15Å; R60-S62 VanDerWaalsContact C-N 3.29Å; R60-S62 PolarHBondContact O-N 2.71Å
63T86.1Confident82.3Confident93 Ų9363.8 Ų63.857%0.57134%0.342SS*.Hα-helixtrans-71-45177.157.70000111.2D59 R60 L65 S66D59-T63 PolarHBondContact O-N 3.03Å; R60-T63 PolarHBondContact O-N 3.08Å; R60-T63 PolarHBondContact O-OG1 2.94Å; T63-L65 VanDerWaalsContact C-N 3.29Å; T63-L65 PolarHBondContact O-N 3.28Å; T63-S66 WeakPolarHBondContact O-CB 3.5Å; T63-S66 PolarHBondContact O-N 3.36Å; T63-S66 PolarHBondContact O-OG 3.05Å
64L83.2Confident81.6Confident48 Ų4863 Ų6325%0.25133%0.334SS..Hα-helixtrans-65-29.6176.9-69.4173.1000112.7Y3 L6 R60 L61 S66 T67 V68Y3-L64 HydrophobicContact CD2-CB 4.02Å; L6-L64 HydrophobicContact CD2-CD1 4.1Å; R60-L64 WeakPolarHBondContact O-CB 3.35Å; R60-L64 VanDerWaalsContact O-CG 3.27Å; R60-L64 WeakPolarHBondContact O-CG 3.4Å; R60-L64 PolarHBondContact O-N 3.46Å; L61-L64 PolarHBondContact O-N 3.48Å; L64-S66 PolarHBondContact O-N 3.28Å; L64-S66 VanDerWaalsContact O-N 3.08Å; L64-T67 PolarHBondContact O-N 3.46Å; L64-T67 PolarHBondContact O-OG1 3.27Å; L64-V68 WeakPolarHBondContact O-CG2 3.46Å; L64-V68 PolarHBondContact O-N 3.44Å
65L81.8Confident81.1Confident14 Ų1466.8 Ų66.87%0.07336%0.361CS..THydrogen-bonded Turntrans-57.6-27.2177.3-174.862.6000112.9Y3 L61 T63 T67 R74 L77 R78Y3-L65 HydrophobicContact CE2-CB 4.17Å; Y3-L65 HydrophobicContact CE2-CD1 4.17Å; L61-L65 VanDerWaalsContact O-CB 3.25Å; L61-L65 WeakPolarHBondContact O-CB 3.44Å; L61-L65 PolarHBondContact O-N 3.09Å; T63-L65 VanDerWaalsContact C-N 3.29Å; T63-L65 PolarHBondContact O-N 3.28Å; L65-T67 VanDerWaalsContact C-N 3.26Å; L65-T67 PolarHBondContact O-N 2.96Å; L65-R74 HydrophobicContact CD1-CB 4.13Å; L65-R74 HydrophobicContact CD1-CG 4.27Å; L65-L77 HydrophobicContact CD1-CB 3.57Å; L65-L77 HydrophobicContact CD1-CD1 4Å; L65-L77 HydrophobicContact CD1-CG 4.46Å; L65-R78 HydrophobicContact CD2-CB 3.82Å; L65-R78 HydrophobicContact CD2-CG 4.17Å
66S75.4Confident80.6Confident80 Ų8071.9 Ų71.956%0.55938%0.384SS*.THydrogen-bonded Turntrans-69-23.5175.671.20000113.5T63 L64 R74T63-S66 WeakPolarHBondContact O-CB 3.5Å; T63-S66 PolarHBondContact O-N 3.36Å; T63-S66 PolarHBondContact O-OG 3.05Å; L64-S66 PolarHBondContact O-N 3.28Å; L64-S66 VanDerWaalsContact O-N 3.08Å; S66-R74 PolarHBondContact O-NH1 3.25Å; S66-R74 PolarHBondContact O-NH2 3.44Å
67T76.5Confident80.1Confident97 Ų9770.6 Ų70.660%0.59537%0.373SS*.THydrogen-bonded Turntrans-100.4-13.7-179.568.10000113.2L64 L65 E69L64-T67 PolarHBondContact O-N 3.46Å; L64-T67 PolarHBondContact O-OG1 3.27Å; L65-T67 VanDerWaalsContact C-N 3.26Å; L65-T67 PolarHBondContact O-N 2.96Å; T67-E69 PolarHBondContact O-N 3.26Å
68V74.1Confident79.9Confident23 Ų2377.2 Ų77.214%0.13940%0.397CS..  trans-68.6117.7-178.6171.60000111.1Y3 L64 R74 L77Y3-V68 HydrophobicContact CD1-CG2 4.27Å; Y3-V68 HydrophobicContact CD2-CG2 3.7Å; Y3-V68 HydrophobicContact CG-CG2 3.57Å; L64-V68 WeakPolarHBondContact O-CG2 3.46Å; L64-V68 PolarHBondContact O-N 3.44Å; V68-R74 PolarHBondContact O-NE 2.95Å; V68-R74 PolarHBondContact O-NH2 2.98Å; V68-L77 HydrophobicContact CG1-CD1 4.01Å
69E65.1Low79.6Confident133 Ų13381.9 Ų81.962%0.62142%0.422SS*.SBendtrans-107.9142.9169.4-67.8-173.916000110.2T67 Y71T67-E69 PolarHBondContact O-N 3.26Å; E69-Y71 HydrophobicContact CG-CE2 4.02Å; E69-Y71 WeakPolarHBondContact OE1-CE2 3.45Å; E69-Y71 PolarHBondContact OE1-OH 2.82Å
70P69.9Low79.4Confident81 Ų8179.2 Ų79.253%0.52641%0.409SS..SBendcis-85.1153.98.431.1-33.7000115.4S72 R73P70-S72 PolarHBondContact O-N 2.82Å; P70-S72 VanDerWaalsContact O-N 3.15Å; P70-R73 PolarHBondContact O-N 2.75Å
71Y69.4Low79.3Confident145 Ų14572.8 Ų72.857%0.56939%0.386SS*.Hα-helixtrans-57.8-28.3-176.5-63.7-90.5000114.5E69 R73 R74E69-Y71 HydrophobicContact CG-CE2 4.02Å; E69-Y71 WeakPolarHBondContact OE1-CE2 3.45Å; E69-Y71 PolarHBondContact OE1-OH 2.82Å; Y71-R73 PolarHBondContact O-N 3.29Å; Y71-R74 VanDerWaalsContact CE1-NH2 3.28Å; Y71-R74 VanDerWaalsContact O-CB 3.3Å; Y71-R74 WeakPolarHBondContact O-CB 3.12Å; Y71-R74 PolarHBondContact O-N 3.44Å
72S72.7Confident79.3Confident88 Ų8875 Ų7562%0.61540%0.398SS*.Hα-helixtrans-61.3-42.8179.652.80000112.7P70 R74 S75P70-S72 PolarHBondContact O-N 2.82Å; P70-S72 VanDerWaalsContact O-N 3.15Å; S72-R74 VanDerWaalsContact C-N 3.25Å; S72-R74 PolarHBondContact O-N 3.34Å; S72-S75 PolarHBondContact O-OG 3.49Å
73R75.9Confident79.4Confident98 Ų9877 Ų7737%0.3740%0.4SS..Hα-helixtrans-68.8-23.1179.4-171176.8173.6-153.1-9112.2D4 P70 Y71 S75 Q76 L77D4-R73 IonicContact OD1-CZ 2.85Å; D4-R73 IonicContact OD1-NH1 2.75Å; D4-R73 PolarHBondContact OD1-NH1 3.38Å; D4-R73 IonicContact OD1-NH2 2.7Å; D4-R73 PolarHBondContact OD1-NH2 3.2Å; D4-R73 IonicContact OD2-NH1 3.93Å; D4-R73 PolarHBondContact OD2-NH1 2.87Å; D4-R73 IonicContact OD2-NH2 3.23Å; P70-R73 PolarHBondContact O-N 2.75Å; Y71-R73 PolarHBondContact O-N 3.29Å; R73-S75 PolarHBondContact O-N 2.82Å; R73-Q76 PolarHBondContact O-N 2.84Å; R73-L77 HydrophobicContact CG-CD1 3.87Å; R73-L77 HydrophobicContact CG-CG 3.95Å; R73-L77 WeakPolarHBondContact O-CG 3.43Å; R73-L77 PolarHBondContact O-N 3.26Å
74R78.4Confident79.4Confident47 Ų4773.1 Ų73.118%0.17738%0.377CS..Hα-helixtrans-58.7-36-179.1-62.8-178.2-174.5-159.1-6.3112.6L65 S66 V68 Y71 S72 R78L65-R74 HydrophobicContact CD1-CB 4.13Å; L65-R74 HydrophobicContact CD1-CG 4.27Å; S66-R74 PolarHBondContact O-NH1 3.25Å; S66-R74 PolarHBondContact O-NH2 3.44Å; V68-R74 PolarHBondContact O-NE 2.95Å; V68-R74 PolarHBondContact O-NH2 2.98Å; Y71-R74 VanDerWaalsContact CE1-NH2 3.28Å; Y71-R74 VanDerWaalsContact O-CB 3.3Å; Y71-R74 WeakPolarHBondContact O-CB 3.12Å; Y71-R74 PolarHBondContact O-N 3.44Å; S72-R74 VanDerWaalsContact C-N 3.25Å; S72-R74 PolarHBondContact O-N 3.34Å; R74-R78 VanDerWaalsContact O-CB 3.29Å; R74-R78 WeakPolarHBondContact O-CB 3.3Å; R74-R78 PolarHBondContact O-N 2.82Å
75S80.5Confident79.8Confident81 Ų8174.6 Ų74.657%0.56638%0.379SS*.Hα-helixtrans-62-47.6178.9640000112.2S72 R73 R78 L79S72-S75 PolarHBondContact O-OG 3.49Å; R73-S75 PolarHBondContact O-N 2.82Å; S75-R78 PolarHBondContact O-N 3.27Å; S75-L79 PolarHBondContact O-N 3.4Å; S75-L79 VanDerWaalsContact O-N 3.09Å
76Q82.3Confident80.1Confident138 Ų13879 Ų7965%0.64540%0.398SS*.Hα-helixtrans-67-42.4178.1-66.1175.3-2100111.8R73 R78 L79 S80R73-Q76 PolarHBondContact O-N 2.84Å; Q76-R78 VanDerWaalsContact C-N 3.32Å; Q76-R78 PolarHBondContact O-N 2.65Å; Q76-L79 WeakPolarHBondContact O-CB 3.25Å; Q76-L79 PolarHBondContact O-N 3.43Å; Q76-S80 PolarHBondContact O-N 2.89Å
77L81.1Confident80.6Confident16 Ų1678.8 Ų78.88%0.08439%0.388CS..Hα-helixtrans-64.2-37.8176.8-72.7179.1000112.2Y3 L65 V68 R73 S80 L81Y3-L77 HydrophobicContact CD1-CD1 4.03Å; Y3-L77 HydrophobicContact CE1-CB 4.33Å; Y3-L77 HydrophobicContact CE1-CD1 3.51Å; Y3-L77 HydrophobicContact CE1-CD2 3.55Å; Y3-L77 HydrophobicContact CE1-CG 3.96Å; Y3-L77 WeakPolarHBondContact OH-CB 3.45Å; L65-L77 HydrophobicContact CD1-CB 3.57Å; L65-L77 HydrophobicContact CD1-CD1 4Å; L65-L77 HydrophobicContact CD1-CG 4.46Å; V68-L77 HydrophobicContact CG1-CD1 4.01Å; R73-L77 HydrophobicContact CG-CD1 3.87Å; R73-L77 HydrophobicContact CG-CG 3.95Å; R73-L77 WeakPolarHBondContact O-CG 3.43Å; R73-L77 PolarHBondContact O-N 3.26Å; L77-S80 PolarHBondContact O-N 3.08Å; L77-L81 WeakPolarHBondContact O-CB 3.43Å; L77-L81 PolarHBondContact O-N 2.66Å
78R85.2Confident81.2Confident153 Ų15374.2 Ų74.258%0.57736%0.36SS*.Hα-helixtrans-63-42.6172.8-165.4170.1-177145.22.8111.8L65 R74 S75 Q76 L81 D82L65-R78 HydrophobicContact CD2-CB 3.82Å; L65-R78 HydrophobicContact CD2-CG 4.17Å; R74-R78 VanDerWaalsContact O-CB 3.29Å; R74-R78 WeakPolarHBondContact O-CB 3.3Å; R74-R78 PolarHBondContact O-N 2.82Å; S75-R78 PolarHBondContact O-N 3.27Å; Q76-R78 VanDerWaalsContact C-N 3.32Å; Q76-R78 PolarHBondContact O-N 2.65Å; R78-L81 PolarHBondContact O-N 2.97Å; R78-D82 WeakPolarHBondContact O-CB 3.27Å; R78-D82 PolarHBondContact O-N 2.82Å
79L83.3Confident81.9Confident97 Ų9777 Ų7751%0.50837%0.37SS..Hα-helixtrans-61.5-47176179.664.7000111.2S75 Q76 L81 D82 Q83S75-L79 PolarHBondContact O-N 3.4Å; S75-L79 VanDerWaalsContact O-N 3.09Å; Q76-L79 WeakPolarHBondContact O-CB 3.25Å; Q76-L79 PolarHBondContact O-N 3.43Å; L79-L81 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 3.28Å; L79-D82 PolarHBondContact O-N 3.43Å; L79-Q83 VanDerWaalsContact O-CG 3.29Å; L79-Q83 WeakPolarHBondContact O-CG 3.37Å; L79-Q83 PolarHBondContact O-N 2.76Å
80S84Confident83Confident26 Ų2675 Ų7518%0.18236%0.36CS..Hα-helixtrans-61.9-37.2176.9-175.40000112.1Q76 L77 Q83 T84Q76-S80 PolarHBondContact O-N 2.89Å; L77-S80 PolarHBondContact O-N 3.08Å; S80-Q83 WeakPolarHBondContact O-CB 3.28Å; S80-Q83 PolarHBondContact O-N 3.22Å; S80-T84 PolarHBondContact O-N 2.79Å; S80-T84 PolarHBondContact O-OG1 3.07Å; S80-T84 VanDerWaalsContact O-OG1 3.12Å
81L87.2Confident83.9Confident7 Ų773 Ų734%0.03734%0.343CS..Hα-helixtrans-67.4-44.2175.7-17964.1000112C58 L61 L77 R78 L79 Q83 T84 R85C58-L81 HydrophobicContact CB-CD1 3.65Å; L61-L81 HydrophobicContact CB-CD1 4.03Å; L61-L81 HydrophobicContact CD1-CD1 4.38Å; L77-L81 WeakPolarHBondContact O-CB 3.43Å; L77-L81 PolarHBondContact O-N 2.66Å; R78-L81 PolarHBondContact O-N 2.97Å; L79-L81 VanDerWaalsContact C-N 3.29Å; L79-L81 PolarHBondContact O-N 3.28Å; L81-Q83 VanDerWaalsContact C-N 3.26Å; L81-Q83 PolarHBondContact O-N 3.41Å; L81-T84 PolarHBondContact O-N 3.26Å; L81-R85 WeakPolarHBondContact O-CG 3.33Å; L81-R85 PolarHBondContact O-N 3.45Å
82D87.8Confident84.9Confident53 Ų5368.4 Ų68.428%0.28333%0.327SS..Hα-helixtrans-61.2-38.4175.7-75.9-15.3000110.5R78 L79 F86 R184R78-D82 WeakPolarHBondContact O-CB 3.27Å; R78-D82 PolarHBondContact O-N 2.82Å; L79-D82 PolarHBondContact O-N 3.43Å; D82-F86 PolarHBondContact O-N 3.46Å; D82-R184 IonicContact OD2-NH2 2.66Å
83Q88.2Confident85.6Confident98 Ų9866.8 Ų66.846%0.45831%0.313SS..Hα-helixtrans-62.4-50.4173.5-74.2169.6-22.500111.8L79 S80 L81 R85 F86 E87L79-Q83 VanDerWaalsContact O-CG 3.29Å; L79-Q83 WeakPolarHBondContact O-CG 3.37Å; L79-Q83 PolarHBondContact O-N 2.76Å; S80-Q83 WeakPolarHBondContact O-CB 3.28Å; S80-Q83 PolarHBondContact O-N 3.22Å; L81-Q83 VanDerWaalsContact C-N 3.26Å; L81-Q83 PolarHBondContact O-N 3.41Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.44Å; Q83-F86 WeakPolarHBondContact O-CB 3.48Å; Q83-F86 PolarHBondContact O-N 2.82Å; Q83-F86 VanDerWaalsContact O-N 3.08Å; Q83-E87 PolarHBondContact O-N 2.89Å
84T86.4Confident86.1Confident12 Ų1264.6 Ų64.67%0.07431%0.309CS..Hα-helixtrans-59.3-41.8177.7-58.30000112T10 L14 I54 S80 L81 F86 E87 C88T10-T84 HydrophobicContact CG2-CG2 4.23Å; L14-T84 HydrophobicContact CD1-CG2 4.33Å; L14-T84 HydrophobicContact CD2-CG2 4.03Å; I54-T84 HydrophobicContact CG2-CG2 4Å; S80-T84 PolarHBondContact O-N 2.79Å; S80-T84 PolarHBondContact O-OG1 3.07Å; S80-T84 VanDerWaalsContact O-OG1 3.12Å; L81-T84 PolarHBondContact O-N 3.26Å; T84-F86 VanDerWaalsContact C-N 3.31Å; T84-F86 PolarHBondContact O-N 3.45Å; T84-E87 PolarHBondContact O-N 3.46Å; T84-C88 PolarHBondContact O-N 3.43Å; T84-C88 PolarHBondContact O-SG 3.2Å
85R89.6Confident86.6Confident79 Ų7962.4 Ų62.430%0.29830%0.301SS..Hα-helixtrans-61.6-40.2175.4-73.6-178.7-174.8-102.6-0.4112.2C58 D59 L81 Q83 K89C58-R85 VanDerWaalsContact C-NH2 3.31Å; C58-R85 HydrophobicContact CB-CG 4.13Å; C58-R85 PolarHBondContact O-NH2 2.9Å; D59-R85 IonicContact OD1-CZ 2.63Å; D59-R85 VanDerWaalsContact OD1-CZ 3.23Å; D59-R85 IonicContact OD1-NH1 3.91Å; D59-R85 PolarHBondContact OD1-NH1 3.36Å; D59-R85 IonicContact OD1-NH2 2.64Å; D59-R85 PolarHBondContact OD1-NH2 3.41Å; L81-R85 WeakPolarHBondContact O-CG 3.33Å; L81-R85 PolarHBondContact O-N 3.45Å; Q83-R85 VanDerWaalsContact C-N 3.32Å; Q83-R85 PolarHBondContact O-N 3.44Å; R85-K89 PolarHBondContact O-N 3.35Å; R85-K89 VanDerWaalsContact O-N 3.12Å
86F88.8Confident87Confident107 Ų10763.7 Ų63.747%0.46930%0.296SS..Hα-helixtrans-62.8-46.4176.1179.2-97.6000111D82 Q83 T84 K89 Q90D82-F86 PolarHBondContact O-N 3.46Å; Q83-F86 WeakPolarHBondContact O-CB 3.48Å; Q83-F86 PolarHBondContact O-N 2.82Å; Q83-F86 VanDerWaalsContact O-N 3.08Å; T84-F86 VanDerWaalsContact C-N 3.31Å; T84-F86 PolarHBondContact O-N 3.45Å; F86-K89 WeakPolarHBondContact O-CB 3.34Å; F86-K89 PolarHBondContact O-N 2.99Å; F86-Q90 HydrophobicContact CD1-CG 4.12Å; F86-Q90 HydrophobicContact CE1-CG 3.74Å; F86-Q90 HydrophobicContact CZ-CG 4.01Å; F86-Q90 WeakPolarHBondContact O-CG 3.42Å; F86-Q90 PolarHBondContact O-N 3.22Å
87E86.7Confident87.2Confident76 Ų7660 Ų6036%0.35528%0.282SS..Hα-helixtrans-60.5-45.2176.8-70.8174-143.900112.4L14 Q83 T84 K89 Q90 Y91L14-E87 HydrophobicContact CD1-CB 4.36Å; L14-E87 WeakPolarHBondContact CD2-OE2 3.24Å; Q83-E87 PolarHBondContact O-N 2.89Å; T84-E87 PolarHBondContact O-N 3.46Å; E87-K89 VanDerWaalsContact C-N 3.29Å; E87-K89 PolarHBondContact O-N 2.97Å; E87-Q90 WeakPolarHBondContact O-CA 3.49Å; E87-Q90 WeakPolarHBondContact O-CB 3.45Å; E87-Q90 PolarHBondContact O-N 3.3Å; E87-Y91 HydrophobicContact CB-CE2 4.32Å; E87-Y91 VanDerWaalsContact O-CD2 3.29Å; E87-Y91 WeakPolarHBondContact O-CD2 3.36Å; E87-Y91 PolarHBondContact O-N 2.88Å
88C88.9Confident87.4Confident0 Ų059.4 Ų59.40%028%0.279CS..Hα-helixtrans-55.6-44.5174.1-69.20000112.1I51 I54 T84 Q90 Y91 E92I51-C88 HydrophobicContact CG2-CB 4.37Å; I54-C88 WeakPolarHBondContact CG2-SG 3.35Å; T84-C88 PolarHBondContact O-N 3.43Å; T84-C88 PolarHBondContact O-SG 3.2Å; C88-Q90 VanDerWaalsContact C-N 3.32Å; C88-Q90 PolarHBondContact O-N 3.35Å; C88-Y91 PolarHBondContact O-N 3.49Å; C88-Y91 VanDerWaalsContact O-N 3.17Å; C88-E92 WeakPolarHBondContact O-CG 3.37Å; C88-E92 PolarHBondContact O-N 3.47Å
89K89.5Confident87.5Confident83 Ų8353.9 Ų53.936%0.36126%0.261SS..Hα-helixtrans-64.7-36.5177.1-174.7169.1179.8173.70112.6R85 F86 E87 T93 E173R85-K89 PolarHBondContact O-N 3.35Å; R85-K89 VanDerWaalsContact O-N 3.12Å; F86-K89 WeakPolarHBondContact O-CB 3.34Å; F86-K89 PolarHBondContact O-N 2.99Å; E87-K89 VanDerWaalsContact C-N 3.29Å; E87-K89 PolarHBondContact O-N 2.97Å; K89-T93 PolarHBondContact O-N 2.81Å; K89-T93 VanDerWaalsContact O-N 3.1Å; K89-T93 PolarHBondContact O-OG1 2.63Å; K89-E173 WeakPolarHBondContact CE-OE1 3.46Å; K89-E173 WeakPolarHBondContact CE-OE2 3.5Å; K89-E173 IonicContact NZ-OE1 3.34Å; K89-E173 PolarHBondContact NZ-OE1 3.01Å; K89-E173 IonicContact NZ-OE2 3.45Å; K89-E173 PolarHBondContact NZ-OE2 2.93Å
90Q87.8Confident87.5Confident89 Ų8953.5 Ų53.542%0.41625%0.253SS..Hα-helixtrans-63.4-43.3172-65.4-52.4-43.100111F86 E87 C88 T93 N94F86-Q90 HydrophobicContact CD1-CG 4.12Å; F86-Q90 HydrophobicContact CE1-CG 3.74Å; F86-Q90 HydrophobicContact CZ-CG 4.01Å; F86-Q90 WeakPolarHBondContact O-CG 3.42Å; F86-Q90 PolarHBondContact O-N 3.22Å; E87-Q90 WeakPolarHBondContact O-CA 3.49Å; E87-Q90 WeakPolarHBondContact O-CB 3.45Å; E87-Q90 PolarHBondContact O-N 3.3Å; C88-Q90 VanDerWaalsContact C-N 3.32Å; C88-Q90 PolarHBondContact O-N 3.35Å; Q90-T93 PolarHBondContact O-N 3.34Å; Q90-N94 WeakPolarHBondContact O-CB 3.24Å; Q90-N94 PolarHBondContact O-N 3.21Å
91Y89.1Confident87.5Confident40 Ų4057.7 Ų57.716%0.15727%0.268CS..Hα-helixtrans-63.6-42.1176.3-65.7-43000113.1L14 V17 S18 I21 E87 C88 T93 N94 L95L14-Y91 HydrophobicContact CD1-CD2 4.18Å; L14-Y91 HydrophobicContact CD1-CE2 3.64Å; L14-Y91 HydrophobicContact CG-CE2 4.29Å; V17-Y91 HydrophobicContact CG1-CD2 3.9Å; V17-Y91 HydrophobicContact CG1-CE2 4.29Å; V17-Y91 HydrophobicContact CG1-CG 4.19Å; S18-Y91 VanDerWaalsContact CB-OH 3.23Å; S18-Y91 WeakPolarHBondContact CB-OH 3.27Å; S18-Y91 PolarHBondContact OG-OH 3.3Å; I21-Y91 HydrophobicContact CD1-CD1 3.27Å; I21-Y91 HydrophobicContact CD1-CE1 3.95Å; I21-Y91 HydrophobicContact CD1-CG 3.61Å; E87-Y91 HydrophobicContact CB-CE2 4.32Å; E87-Y91 VanDerWaalsContact O-CD2 3.29Å; E87-Y91 WeakPolarHBondContact O-CD2 3.36Å; E87-Y91 PolarHBondContact O-N 2.88Å; C88-Y91 PolarHBondContact O-N 3.49Å; C88-Y91 VanDerWaalsContact O-N 3.17Å; Y91-T93 VanDerWaalsContact C-N 3.25Å; Y91-T93 PolarHBondContact O-N 2.92Å; Y91-N94 PolarHBondContact O-N 2.96Å; Y91-L95 WeakPolarHBondContact O-CB 3.44Å; Y91-L95 WeakPolarHBondContact O-CG 3.17Å; Y91-L95 PolarHBondContact O-N 3.45Å
92E90.2Very high87.4Confident49 Ų4957.8 Ų57.823%0.22927%0.268CS..Hα-helixtrans-59.3-39.1173.6-69.5179.7170.600112I51 N55 C88 K96I51-E92 HydrophobicContact CG2-CG 3.67Å; N55-E92 PolarHBondContact ND2-OE1 3.33Å; C88-E92 WeakPolarHBondContact O-CG 3.37Å; C88-E92 PolarHBondContact O-N 3.47Å; E92-K96 WeakPolarHBondContact O-CG 3.31Å; E92-K96 PolarHBondContact O-N 3.1Å
93T86.3Confident87.3Confident54 Ų5458.2 Ų58.233%0.33127%0.271SS..Hα-helixtrans-70.3-44.4178-54.80000110.7K89 Q90 Y91 L95 K96 V97K89-T93 PolarHBondContact O-N 2.81Å; K89-T93 VanDerWaalsContact O-N 3.1Å; K89-T93 PolarHBondContact O-OG1 2.63Å; Q90-T93 PolarHBondContact O-N 3.34Å; Y91-T93 VanDerWaalsContact C-N 3.25Å; Y91-T93 PolarHBondContact O-N 2.92Å; T93-L95 PolarHBondContact O-N 3.06Å; T93-K96 PolarHBondContact O-N 2.91Å; T93-V97 PolarHBondContact O-N 3.35Å
94N86.6Confident87.1Confident51 Ų5157.8 Ų57.827%0.27327%0.269SS..Hα-helixtrans-61.5-45.1177.2-167.617.6000111E25 Q90 Y91 K96 V97 I98E25-N94 PolarHBondContact OE1-ND2 2.97Å; Q90-N94 WeakPolarHBondContact O-CB 3.24Å; Q90-N94 PolarHBondContact O-N 3.21Å; Y91-N94 PolarHBondContact O-N 2.96Å; N94-K96 VanDerWaalsContact C-N 3.28Å; N94-K96 PolarHBondContact O-N 3.17Å; N94-V97 CarbonylContact O-C 3.57Å; N94-V97 WeakPolarHBondContact O-CA 3.18Å; N94-V97 WeakPolarHBondContact O-CB 3.39Å; N94-V97 PolarHBondContact O-N 2.88Å; N94-I98 WeakPolarHBondContact O-CB 3.49Å; N94-I98 VanDerWaalsContact O-CG1 3.28Å; N94-I98 WeakPolarHBondContact O-CG1 3.32Å; N94-I98 PolarHBondContact O-N 3.22Å
95L89Confident86.8Confident2 Ų260.1 Ų60.11%0.0128%0.278CS..Hα-helixtrans-56-41.2176.3-79177000112.5I21 L24 Y44 L47 I51 Y91 T93 V97 I98 D99I21-L95 HydrophobicContact CG1-CD2 4.29Å; L24-L95 HydrophobicContact CD2-CD2 3.6Å; Y44-L95 HydrophobicContact CD2-CD2 3.93Å; Y44-L95 HydrophobicContact CE2-CB 3.84Å; Y44-L95 HydrophobicContact CE2-CD2 4.06Å; Y44-L95 HydrophobicContact CE2-CG 4.43Å; Y44-L95 WeakPolarHBondContact CE2-O 3.36Å; L47-L95 HydrophobicContact CB-CD1 4.17Å; L47-L95 HydrophobicContact CB-CD2 4.33Å; L47-L95 HydrophobicContact CD1-CD2 3.92Å; I51-L95 HydrophobicContact CD1-CD1 3.36Å; I51-L95 HydrophobicContact CD1-CG 4.46Å; Y91-L95 WeakPolarHBondContact O-CB 3.44Å; Y91-L95 WeakPolarHBondContact O-CG 3.17Å; Y91-L95 PolarHBondContact O-N 3.45Å; T93-L95 PolarHBondContact O-N 3.06Å; L95-V97 VanDerWaalsContact C-N 3.33Å; L95-V97 PolarHBondContact O-N 3.45Å; L95-I98 PolarHBondContact O-N 3.37Å; L95-D99 WeakPolarHBondContact O-CB 3.26Å; L95-D99 PolarHBondContact O-N 2.96Å
96K89.1Confident86.5Confident107 Ų10757.1 Ų57.147%0.46527%0.267SS..Hα-helixtrans-63.1-38.5175.1-70.2169.4-176.1172.50112.4E92 T93 N94 R100E92-K96 WeakPolarHBondContact O-CG 3.31Å; E92-K96 PolarHBondContact O-N 3.1Å; T93-K96 PolarHBondContact O-N 2.91Å; N94-K96 VanDerWaalsContact C-N 3.28Å; N94-K96 PolarHBondContact O-N 3.17Å; K96-R100 WeakPolarHBondContact O-CG 3.29Å; K96-R100 PolarHBondContact O-N 2.78Å
97V86.7Confident86.1Confident60 Ų6059 Ų5936%0.36427%0.27SS..Hα-helixtrans-68.2-44.6176.5174.30000110.5T93 N94 L95 D99 R100 K101T93-V97 PolarHBondContact O-N 3.35Å; N94-V97 CarbonylContact O-C 3.57Å; N94-V97 WeakPolarHBondContact O-CA 3.18Å; N94-V97 WeakPolarHBondContact O-CB 3.39Å; N94-V97 PolarHBondContact O-N 2.88Å; L95-V97 VanDerWaalsContact C-N 3.33Å; L95-V97 PolarHBondContact O-N 3.45Å; V97-D99 VanDerWaalsContact C-N 3.34Å; V97-D99 PolarHBondContact O-N 2.87Å; V97-R100 PolarHBondContact O-N 3.21Å; V97-K101 PolarHBondContact O-N 3.16Å
98I84.1Confident86Confident4 Ų460.4 Ų60.42%0.02128%0.277CS..Hα-helixtrans-60.3-44.2176.9-68.9168.8000110.6I21 L24 E25 I28 N94 L95 R100 K101 K102I21-I98 HydrophobicContact CG2-CD1 3.79Å; L24-I98 HydrophobicContact CD2-CG2 3.66Å; L24-I98 HydrophobicContact CG-CG2 3.93Å; E25-I98 HydrophobicContact CG-CD1 3.61Å; E25-I98 HydrophobicContact CG-CG1 3.93Å; E25-I98 WeakPolarHBondContact OE1-CD1 3.19Å; I28-I98 HydrophobicContact CD1-CB 4.49Å; I28-I98 HydrophobicContact CD1-CG2 3.07Å; N94-I98 WeakPolarHBondContact O-CB 3.49Å; N94-I98 VanDerWaalsContact O-CG1 3.28Å; N94-I98 WeakPolarHBondContact O-CG1 3.32Å; N94-I98 PolarHBondContact O-N 3.22Å; L95-I98 PolarHBondContact O-N 3.37Å; I98-R100 VanDerWaalsContact C-N 3.3Å; I98-R100 PolarHBondContact O-N 2.64Å; I98-K101 PolarHBondContact O-N 2.77Å; I98-K102 WeakPolarHBondContact O-CB 3.48Å; I98-K102 PolarHBondContact O-N 3.19Å
99D87.2Confident85.5Confident37 Ų3761.8 Ų61.820%0.19828%0.284CS..Hα-helixtrans-60.9-39.4177.6-17067.9000112Y44 L95 V97 K102 N103Y44-D99 HydrophobicContact CE2-CB 3.86Å; L95-D99 WeakPolarHBondContact O-CB 3.26Å; L95-D99 PolarHBondContact O-N 2.96Å; V97-D99 VanDerWaalsContact C-N 3.34Å; V97-D99 PolarHBondContact O-N 2.87Å; D99-K102 WeakPolarHBondContact O-CB 3.42Å; D99-K102 PolarHBondContact O-N 2.86Å; D99-K102 WeakPolarHBondContact OD1-CE 3.09Å; D99-K102 IonicContact OD1-NZ 2.65Å; D99-K102 PolarHBondContact OD1-NZ 2.8Å; D99-N103 WeakPolarHBondContact O-CB 3.4Å; D99-N103 PolarHBondContact O-N 3.26Å; D99-N103 PolarHBondContact O-ND2 2.97Å; D99-N103 VanDerWaalsContact O-ND2 3.13Å; D99-N103 PolarHBondContact OD2-ND2 2.78Å; D99-N103 VanDerWaalsContact OD2-ND2 3.09Å
100R84Confident85.1Confident89 Ų8961.5 Ų61.534%0.33629%0.286SS..Hα-helixtrans-65.2-48174.3-71.4177.3-169.5155.68.9112.3K96 V97 I98 K102 N103 E104K96-R100 WeakPolarHBondContact O-CG 3.29Å; K96-R100 PolarHBondContact O-N 2.78Å; V97-R100 PolarHBondContact O-N 3.21Å; I98-R100 VanDerWaalsContact C-N 3.3Å; I98-R100 PolarHBondContact O-N 2.64Å; R100-K102 PolarHBondContact O-N 3.12Å; R100-N103 PolarHBondContact O-N 3.19Å; R100-N103 VanDerWaalsContact O-N 3.1Å; R100-E104 WeakPolarHBondContact O-CB 3.4Å; R100-E104 PolarHBondContact O-N 2.69Å
101K84.4Confident84.9Confident114 Ų11462.1 Ų62.150%0.49629%0.288SS..Hα-helixtrans-57-42176.3-73.5179.7177.2179.10111.1V97 I98 K105V97-K101 PolarHBondContact O-N 3.16Å; I98-K101 PolarHBondContact O-N 2.77Å; K101-K105 WeakPolarHBondContact O-CB 3.49Å; K101-K105 PolarHBondContact O-N 3.43Å
102K85.7Confident84.5Confident9 Ų968.5 Ų68.54%0.03931%0.312CS..Hα-helixtrans-58.2-52173.3-178.9-156.974.9-1760111I28 L31 L37 I40 N41 I98 D99 R100 E104 K105 W106I28-K102 HydrophobicContact CD1-CB 3.85Å; I28-K102 HydrophobicContact CD1-CG 4.32Å; I28-K102 HydrophobicContact CG1-CB 4.01Å; I28-K102 HydrophobicContact CG1-CG 4.12Å; I28-K102 HydrophobicContact CG2-CB 4.21Å; L31-K102 HydrophobicContact CD2-CG 4.3Å; L37-K102 HydrophobicContact CD1-CD 3.76Å; L37-K102 HydrophobicContact CD1-CG 4.17Å; I40-K102 HydrophobicContact CG2-CD 3.46Å; I40-K102 VanDerWaalsContact CG2-CD 3.46Å; I40-K102 HydrophobicContact CG2-CG 4.01Å; N41-K102 PolarHBondContact OD1-NZ 3.3Å; I98-K102 WeakPolarHBondContact O-CB 3.48Å; I98-K102 PolarHBondContact O-N 3.19Å; D99-K102 WeakPolarHBondContact O-CB 3.42Å; D99-K102 PolarHBondContact O-N 2.86Å; D99-K102 WeakPolarHBondContact OD1-CE 3.09Å; D99-K102 IonicContact OD1-NZ 2.65Å; D99-K102 PolarHBondContact OD1-NZ 2.8Å; R100-K102 PolarHBondContact O-N 3.12Å; K102-E104 PolarHBondContact O-N 3.16Å; K102-K105 PolarHBondContact O-N 3.45Å; K102-W106 WeakPolarHBondContact O-CB 3.44Å; K102-W106 PolarHBondContact O-N 2.93Å
103N85.4Confident83.9Confident62 Ų6271.5 Ų71.533%0.33233%0.326SS..Hα-helixtrans-65.3-38.3-178.4-65.4-25.1000112.4D99 R100 W106 R107D99-N103 WeakPolarHBondContact O-CB 3.4Å; D99-N103 PolarHBondContact O-N 3.26Å; D99-N103 PolarHBondContact O-ND2 2.97Å; D99-N103 VanDerWaalsContact O-ND2 3.13Å; D99-N103 PolarHBondContact OD2-ND2 2.78Å; D99-N103 VanDerWaalsContact OD2-ND2 3.09Å; R100-N103 PolarHBondContact O-N 3.19Å; R100-N103 VanDerWaalsContact O-N 3.1Å; N103-W106 PolarHBondContact O-N 3.32Å; N103-R107 WeakPolarHBondContact O-CG 3.48Å; N103-R107 PolarHBondContact O-N 3.47Å
104E83.9Confident83.6Confident90 Ų9074.8 Ų74.842%0.42134%0.338SS..Hα-helixtrans-63.7-50.8174.8-175.2179.8-174.900111.3R100 K102 W106 R107 H108R100-E104 WeakPolarHBondContact O-CB 3.4Å; R100-E104 PolarHBondContact O-N 2.69Å; K102-E104 PolarHBondContact O-N 3.16Å; E104-W106 VanDerWaalsContact C-N 3.27Å; E104-W106 PolarHBondContact O-N 3.25Å; E104-R107 PolarHBondContact O-N 3.11Å; E104-R107 VanDerWaalsContact O-N 3.15Å; E104-H108 PolarHBondContact O-CD2 2.88Å; E104-H108 PolarHBondContact O-N 2.99Å; E104-H108 IonicContact OE1-NE2 3.99Å
105K80.5Confident83.1Confident60 Ų6077.7 Ų77.726%0.26135%0.353SS..Hα-helixtrans-59.3-40.5176.9-168.7178.5179.2-158.40111.8I28 H29 L31 K101 K102 H108 I109I28-K105 VanDerWaalsContact O-CD 3.22Å; I28-K105 WeakPolarHBondContact O-CD 3.45Å; I28-K105 PolarHBondContact O-NZ 3.47Å; H29-K105 PolarHBondContact O-NZ 3.37Å; L31-K105 HydrophobicContact CB-CD 4.18Å; L31-K105 HydrophobicContact CD2-CD 4.42Å; L31-K105 VanDerWaalsContact O-CE 3.29Å; L31-K105 WeakPolarHBondContact O-CE 3.35Å; L31-K105 PolarHBondContact O-NZ 2.99Å; K101-K105 WeakPolarHBondContact O-CB 3.49Å; K101-K105 PolarHBondContact O-N 3.43Å; K102-K105 PolarHBondContact O-N 3.45Å; K105-H108 PolarHBondContact O-N 3.01Å; K105-I109 HydrophobicContact CG-CD1 4.26Å; K105-I109 WeakPolarHBondContact O-CG1 3.5Å; K105-I109 PolarHBondContact O-N 3.32Å
106W81.7Confident82.2Confident17 Ų1783 Ų836%0.06438%0.381CS..Hα-helixtrans-61-45.1175.2-90.7121.5000113.6L31 S33 L37 K102 N103 E104 H108 I109 I110L31-W106 HydrophobicContact CD1-CH2 3.82Å; L31-W106 HydrophobicContact CD1-CZ2 3Å; L31-W106 HydrophobicContact CD2-CD2 4Å; L31-W106 HydrophobicContact CD2-CG 4.09Å; L31-W106 HydrophobicContact CD2-CZ2 3.71Å; L31-W106 HydrophobicContact CG-CD2 4.31Å; L31-W106 VanDerWaalsContact CG-CE2 3.45Å; L31-W106 HydrophobicContact CG-CH2 3.86Å; L31-W106 HydrophobicContact CG-CZ2 3.26Å; S33-W106 WeakPolarHBondContact O-CH2 3.49Å; S33-W106 VanDerWaalsContact O-CZ2 3.25Å; S33-W106 WeakPolarHBondContact O-CZ2 3.48Å; L37-W106 HydrophobicContact CB-CD2 4.49Å; L37-W106 VanDerWaalsContact CB-CE2 3.47Å; L37-W106 HydrophobicContact CB-CH2 4.47Å; L37-W106 HydrophobicContact CB-CZ2 3.4Å; L37-W106 HydrophobicContact CD1-CG 4.37Å; L37-W106 HydrophobicContact CD2-CD2 4.08Å; L37-W106 HydrophobicContact CD2-CG 4.17Å; L37-W106 HydrophobicContact CD2-CZ2 4.42Å; L37-W106 HydrophobicContact CG-CZ2 4.29Å; K102-W106 WeakPolarHBondContact O-CB 3.44Å; K102-W106 PolarHBondContact O-N 2.93Å; N103-W106 PolarHBondContact O-N 3.32Å; E104-W106 VanDerWaalsContact C-N 3.27Å; E104-W106 PolarHBondContact O-N 3.25Å; W106-H108 VanDerWaalsContact C-N 3.29Å; W106-H108 PolarHBondContact O-N 2.89Å; W106-I109 HydrophobicContact CE3-CB 4.22Å; W106-I109 HydrophobicContact CE3-CD1 4.1Å; W106-I109 HydrophobicContact CE3-CG2 4.4Å; W106-I109 HydrophobicContact CH2-CD1 4.31Å; W106-I109 HydrophobicContact CZ3-CB 4.21Å; W106-I109 HydrophobicContact CZ3-CD1 3.89Å; W106-I109 HydrophobicContact CZ3-CG2 3.95Å; W106-I109 PolarHBondContact O-N 3.45Å; W106-I110 WeakPolarHBondContact O-CG1 3.4Å; W106-I110 PolarHBondContact O-N 3.39Å
107R82.2Confident81.5Confident146 Ų14682.1 Ų82.155%0.55139%0.388SS*.Hα-helixtrans-59.2-42.6176.1-74.6-177.3-62.2-149.25.6111.4N103 E104 I109 I110 E111N103-R107 WeakPolarHBondContact O-CG 3.48Å; N103-R107 PolarHBondContact O-N 3.47Å; E104-R107 PolarHBondContact O-N 3.11Å; E104-R107 VanDerWaalsContact O-N 3.15Å; R107-I109 VanDerWaalsContact C-N 3.33Å; R107-I109 PolarHBondContact O-N 2.95Å; R107-I110 PolarHBondContact O-N 3.2Å; R107-E111 VanDerWaalsContact O-CB 3.25Å; R107-E111 WeakPolarHBondContact O-CB 3.39Å; R107-E111 PolarHBondContact O-N 3.27Å
108H83.1Confident80.3Confident105 Ų10586 Ų8649%0.48640%0.401SS..Hα-helixtrans-64-36.1176.7-70-57000113.6E104 K105 W106 R112E104-H108 PolarHBondContact O-CD2 2.88Å; E104-H108 PolarHBondContact O-N 2.99Å; E104-H108 IonicContact OE1-NE2 3.99Å; K105-H108 PolarHBondContact O-N 3.01Å; W106-H108 VanDerWaalsContact C-N 3.29Å; W106-H108 PolarHBondContact O-N 2.89Å; H108-R112 WeakPolarHBondContact O-CB 3.41Å; H108-R112 PolarHBondContact O-N 3.08Å
109I79.1Confident79.1Confident29 Ų2992.7 Ų92.715%0.14944%0.437CS..Hα-helixtrans-67-47.7175.9-66.9164000110L31 K105 W106 R107 R112 E113L31-I109 WeakPolarHBondContact O-CD1 3.3Å; K105-I109 HydrophobicContact CG-CD1 4.26Å; K105-I109 WeakPolarHBondContact O-CG1 3.5Å; K105-I109 PolarHBondContact O-N 3.32Å; W106-I109 HydrophobicContact CE3-CB 4.22Å; W106-I109 HydrophobicContact CE3-CD1 4.1Å; W106-I109 HydrophobicContact CE3-CG2 4.4Å; W106-I109 HydrophobicContact CH2-CD1 4.31Å; W106-I109 HydrophobicContact CZ3-CB 4.21Å; W106-I109 HydrophobicContact CZ3-CD1 3.89Å; W106-I109 HydrophobicContact CZ3-CG2 3.95Å; W106-I109 PolarHBondContact O-N 3.45Å; R107-I109 VanDerWaalsContact C-N 3.33Å; R107-I109 PolarHBondContact O-N 2.95Å; I109-R112 PolarHBondContact O-N 3.35Å; I109-E113 WeakPolarHBondContact O-CG 3.46Å; I109-E113 PolarHBondContact O-N 2.93Å
110I80.3Confident77.7Confident78 Ų7898.7 Ų98.740%0.446%0.462SS..Hα-helixtrans-62.6-48.8179.3-66.2165.9000110.7W106 R107 R112 E113 E114W106-I110 WeakPolarHBondContact O-CG1 3.4Å; W106-I110 PolarHBondContact O-N 3.39Å; R107-I110 PolarHBondContact O-N 3.2Å; I110-R112 VanDerWaalsContact C-N 3.29Å; I110-R112 PolarHBondContact O-N 2.94Å; I110-E113 CarbonylContact O-C 3.51Å; I110-E113 WeakPolarHBondContact O-CB 3.34Å; I110-E113 PolarHBondContact O-N 3.45Å; I110-E114 HydrophobicContact CG2-CG 4.39Å; I110-E114 WeakPolarHBondContact O-CG 3.36Å; I110-E114 PolarHBondContact O-N 3.28Å
111E83.8Confident76.2Confident101 Ų10198.1 Ų98.147%0.47247%0.471SS..Hα-helixtrans-61-39.6178.1-176.3176.3-159.500111.2R107 E113 E114 L115R107-E111 VanDerWaalsContact O-CB 3.25Å; R107-E111 WeakPolarHBondContact O-CB 3.39Å; R107-E111 PolarHBondContact O-N 3.27Å; E111-E113 VanDerWaalsContact C-N 3.35Å; E111-E113 PolarHBondContact O-N 3.39Å; E111-E114 PolarHBondContact O-N 3.46Å; E111-L115 HydrophobicContact CG-CD1 4.29Å; E111-L115 WeakPolarHBondContact O-CB 3.31Å; E111-L115 VanDerWaalsContact O-CG 3.22Å; E111-L115 WeakPolarHBondContact O-CG 3.45Å; E111-L115 PolarHBondContact O-N 2.85Å
112R81.1Confident74.7Confident175 Ų17597 Ų9766%0.6648%0.475SS*.Hα-helixtrans-63-41.2173.5-178.4-176176.7-168.30.1111.8H108 I109 I110 L115 L116H108-R112 WeakPolarHBondContact O-CB 3.41Å; H108-R112 PolarHBondContact O-N 3.08Å; I109-R112 PolarHBondContact O-N 3.35Å; I110-R112 VanDerWaalsContact C-N 3.29Å; I110-R112 PolarHBondContact O-N 2.94Å; R112-L115 PolarHBondContact O-N 3.32Å; R112-L116 HydrophobicContact CG-CD1 4.02Å; R112-L116 HydrophobicContact CG-CG 4.46Å; R112-L116 WeakPolarHBondContact O-CB 3.44Å; R112-L116 WeakPolarHBondContact O-CG 3.34Å; R112-L116 PolarHBondContact O-N 3.11Å
113E78.7Confident73.4Confident112 Ų112103 Ų10352%0.52351%0.507SS..Hα-helixtrans-67.7-38.5176.8-74.2173.8179.900111.8I109 I110 E111 L116 S117I109-E113 WeakPolarHBondContact O-CG 3.46Å; I109-E113 PolarHBondContact O-N 2.93Å; I110-E113 CarbonylContact O-C 3.51Å; I110-E113 WeakPolarHBondContact O-CB 3.34Å; I110-E113 PolarHBondContact O-N 3.45Å; E111-E113 VanDerWaalsContact C-N 3.35Å; E111-E113 PolarHBondContact O-N 3.39Å; E113-L116 PolarHBondContact O-N 2.98Å; E113-S117 VanDerWaalsContact O-CB 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.48Å; E113-S117 PolarHBondContact O-N 3.05Å; E113-S117 PolarHBondContact O-OG 3.37Å
114E78.8Confident71.8Confident123 Ų123102.8 Ų102.858%0.57551%0.514SS*.Hα-helixtrans-63-43.8173.7-73.6175.8-18000111.3I110 E111 L116 S117 H118I110-E114 HydrophobicContact CG2-CG 4.39Å; I110-E114 WeakPolarHBondContact O-CG 3.36Å; I110-E114 PolarHBondContact O-N 3.28Å; E111-E114 PolarHBondContact O-N 3.46Å; E114-L116 VanDerWaalsContact C-N 3.34Å; E114-L116 PolarHBondContact O-N 2.96Å; E114-S117 WeakPolarHBondContact CA-OG 3.28Å; E114-S117 PolarHBondContact O-N 3.42Å; E114-S117 PolarHBondContact O-OG 2.98Å; E114-H118 PolarHBondContact O-N 3.31Å; E114-H118 VanDerWaalsContact O-N 3.1Å
115L76.2Confident70.4Confident111 Ų111101 Ų10158%0.58151%0.511SS*.Hα-helixtrans-67.4-33.1176.1-70.1173.6000112.9E111 R112E111-L115 HydrophobicContact CG-CD1 4.29Å; E111-L115 WeakPolarHBondContact O-CB 3.31Å; E111-L115 VanDerWaalsContact O-CG 3.22Å; E111-L115 WeakPolarHBondContact O-CG 3.45Å; E111-L115 PolarHBondContact O-N 2.85Å; R112-L115 PolarHBondContact O-N 3.32Å
116L71.2Confident69.2Low115 Ų115100.8 Ų100.860%0.60252%0.515SS*.Hα-helixtrans-79.3-29.9177.1-72.8174.3000113.2R112 E113 E114 H118R112-L116 HydrophobicContact CG-CD1 4.02Å; R112-L116 HydrophobicContact CG-CG 4.46Å; R112-L116 WeakPolarHBondContact O-CB 3.44Å; R112-L116 WeakPolarHBondContact O-CG 3.34Å; R112-L116 PolarHBondContact O-N 3.11Å; E113-L116 PolarHBondContact O-N 2.98Å; E114-L116 VanDerWaalsContact C-N 3.34Å; E114-L116 PolarHBondContact O-N 2.96Å; L116-H118 VanDerWaalsContact C-N 3.33Å
117S73.4Confident67.7Low87 Ų87109.7 Ų109.761%0.60855%0.548SS*.Hα-helixtrans-80.1-15.9175.860.40000113E113 E114 D119E113-S117 VanDerWaalsContact O-CB 3.29Å; E113-S117 WeakPolarHBondContact O-CB 3.48Å; E113-S117 PolarHBondContact O-N 3.05Å; E113-S117 PolarHBondContact O-OG 3.37Å; E114-S117 WeakPolarHBondContact CA-OG 3.28Å; E114-S117 PolarHBondContact O-N 3.42Å; E114-S117 PolarHBondContact O-OG 2.98Å; S117-D119 PolarHBondContact O-N 3.23Å
118H60.9Low66.3Low141 Ų141108.4 Ų108.465%0.65355%0.553SS**SBendtrans-62.1113.4169.3-156.9107000108.7E114 L116 F120E114-H118 PolarHBondContact O-N 3.31Å; E114-H118 VanDerWaalsContact O-N 3.1Å; L116-H118 VanDerWaalsContact C-N 3.33Å; H118-F120 WeakPolarHBondContact O-CD2 3.47Å; H118-F120 PolarHBondContact O-N 2.89Å
119D60.3Low64.7Low145 Ų145109.2 Ų109.278%0.77556%0.56SS**  trans-55.1107.1175.8-80.9-32000108.8S117 S121S117-D119 PolarHBondContact O-N 3.23Å; D119-S121 PolarHBondContact O-N 3.46Å
120F57Low63.2Low164 Ų164115.7 Ų115.772%0.71960%0.595SS**  trans-67.684.1168.8-77.3-90000107.4H118 T122H118-F120 WeakPolarHBondContact O-CD2 3.47Å; H118-F120 PolarHBondContact O-N 2.89Å; F120-T122 PolarHBondContact O-N 3.48Å
121S53.2Low61.4Low76 Ų76117.3 Ų117.353%0.53161%0.612SS.*  trans-64.791.9166.1-173.30000107.1D119 N123 S125D119-S121 PolarHBondContact O-N 3.46Å; S121-N123 PolarHBondContact O-N 3.41Å; S121-S125 PolarHBondContact OG-OG 3.05Å
122T53.2Low59.4Low92 Ų92120.3 Ų120.356%0.56463%0.631SS**  trans-56.1137.8173.564.40000108.3F120 A124 S125F120-T122 PolarHBondContact O-N 3.48Å; T122-A124 PolarHBondContact O-N 2.75Å; T122-S125 PolarHBondContact O-N 3.27Å; T122-S125 PolarHBondContact O-OG 2.68Å
123N57.1Low57.6Low134 Ų134117.6 Ų117.672%0.71764%0.639SS**Hα-helixtrans-52.3-15.8-178.8-70.3-40.3000114.3S121 V126 R127S121-N123 PolarHBondContact O-N 3.41Å; N123-V126 PolarHBondContact O-N 3.46Å; N123-R127 PolarHBondContact O-N 2.73Å
124A53Low55.9Low57 Ų57116.2 Ų116.247%0.47166%0.655SS.*Hα-helixtrans-65.4-36.717500000113.6T122 V126T122-A124 PolarHBondContact O-N 2.75Å; A124-V126 VanDerWaalsContact C-N 3.35Å
125S53.7Low54.1Low53 Ų53113.9 Ų113.937%0.37165%0.652SS.*Hα-helixtrans-81.7-12.3176.955.70000113.5S121 T122 N128S121-S125 PolarHBondContact OG-OG 3.05Å; T122-S125 PolarHBondContact O-N 3.27Å; T122-S125 PolarHBondContact O-OG 2.68Å; S125-N128 PolarHBondContact O-OD1 3.44Å
126V54.6Low52.8Low55 Ų55114.6 Ų114.633%0.33366%0.661SS.*Hα-helixtrans-83.6-29.2170.61740000110.8N123 A124 N128 N129N123-V126 PolarHBondContact O-N 3.46Å; A124-V126 VanDerWaalsContact C-N 3.35Å; V126-N128 VanDerWaalsContact C-N 3.33Å; V126-N128 PolarHBondContact O-N 3Å; V126-N129 PolarHBondContact O-N 2.67Å
127R50.1Low51.6Low204 Ų204116.1 Ų116.177%0.7767%0.668SS**Hα-helixtrans-67.9-27.3-177.3-172.2172.262.1-138.9-2.9114N123N123-R127 PolarHBondContact O-N 2.73Å
128N53.5Low50.6Low120 Ų120119 Ų11964%0.64268%0.675SS**THydrogen-bonded Turntrans-85.8-14.7178.969.1-11.7000113.5S125 V126 N130S125-N128 PolarHBondContact O-OD1 3.44Å; V126-N128 VanDerWaalsContact C-N 3.33Å; V126-N128 PolarHBondContact O-N 3Å; N128-N130 PolarHBondContact O-N 3.34Å
129N49.2Very low50Low121 Ų121120.9 Ų120.965%0.64768%0.682SS**  trans-97.875.4175-74.7-23.8000109.9V126 C131V126-N129 PolarHBondContact O-N 2.67Å; N129-C131 PolarHBondContact O-N 3.31Å
130N48.9Very low49.8Very low166 Ų166120.5 Ų120.589%0.88868%0.678SS**  trans-7073.4162.2-169.730000109.2N128N128-N130 PolarHBondContact O-N 3.34Å
131C41.2Very low49.5Very low112 Ų112117.2 Ų117.276%0.75767%0.668SS**  trans-145.985.2166.3-1650000109.5N129 S133N129-C131 PolarHBondContact O-N 3.31Å; C131-S133 PolarHBondContact O-N 2.81Å
132L41.2Very low49.8Very low163 Ų163117 Ų11785%0.85367%0.666SS**  trans22.380.6137.5-16773.7000116.9
133S45.2Very low49.9Very low119 Ų119118.2 Ų118.283%0.83267%0.668SS**SBendtrans-168.783.9138.6-81.30000109.5C131 S135C131-S133 PolarHBondContact O-N 2.81Å; S133-S135 PolarHBondContact O-N 3.39Å
134G41.7Very low50.1Low83 Ų83118.4 Ų118.486%0.85667%0.669SS**  trans64.742.8149.300000118.4T136G134-T136 PolarHBondContact O-N 2.71Å; G134-T136 VanDerWaalsContact O-N 3.12Å
135S41.4Very low50.6Low74 Ų74119.5 Ų119.552%0.51766%0.664SS.*  trans-67.2109.317153.60000111.5S133 I137S133-S135 PolarHBondContact O-N 3.39Å; S135-I137 PolarHBondContact O-N 2.75Å
136T48.5Very low50.8Low126 Ų126122.3 Ų122.377%0.77367%0.671SS**  36.266.1129.2-43.10000115.8G134G134-T136 PolarHBondContact O-N 2.71Å; G134-T136 VanDerWaalsContact O-N 3.12Å
137I46.5Very low51.4Low147 Ų147128.1 Ų128.175%0.75469%0.688SS**  trans-109.986.9155.9-58.1179.4000106.9S135 K139S135-I137 PolarHBondContact O-N 2.75Å; I137-K139 VanDerWaalsContact C-N 3.27Å; I137-K139 PolarHBondContact O-N 3.22Å
138I53.2Low52.5Low147 Ų147121.1 Ų121.175%0.75467%0.671SS**  trans36.956135.6-43.5169.7000113.7
139K47.6Very low53.4Low181 Ų181122 Ų12279%0.78767%0.665SS**  trans-10575.5145.4-69.7-176.4-179.2177.30104.7I137 D141I137-K139 VanDerWaalsContact C-N 3.27Å; I137-K139 PolarHBondContact O-N 3.22Å; K139-D141 PolarHBondContact O-N 3.46Å
140L55Low54.6Low136 Ų136122.2 Ų122.271%0.71267%0.665SS**  trans-57.793.2149.4-106.669.3000103.6P142L140-P142 VanDerWaalsContact O-CD 3.3Å; L140-P142 WeakPolarHBondContact O-CD 3.26Å; L140-P142 VanDerWaalsContact O-N 3.12Å
141D52.5Low56Low95 Ų95116.7 Ų116.751%0.50864%0.64SS.*  trans-57.1118.3171.2-88.4-37000105.5K139 D143 L144K139-D141 PolarHBondContact O-N 3.46Å; D141-D143 HydrophobicContact CB-CB 4.5Å; D141-D143 PolarHBondContact O-N 3.39Å; D141-L144 PolarHBondContact O-N 2.64Å
142P57.9Low57.7Low73 Ų73116.2 Ų116.247%0.47463%0.63SS.*Hα-helixtrans-52.5-28.2176.920.1-30.7000110.5L140 L144 E145 H146L140-P142 VanDerWaalsContact O-CD 3.3Å; L140-P142 WeakPolarHBondContact O-CD 3.26Å; L140-P142 VanDerWaalsContact O-N 3.12Å; P142-L144 VanDerWaalsContact C-N 3.34Å; P142-L144 PolarHBondContact O-N 2.6Å; P142-E145 PolarHBondContact O-N 3.34Å; P142-H146 VanDerWaalsContact C-CD2 3.45Å; P142-H146 WeakPolarHBondContact O-CB 3.23Å; P142-H146 PolarHBondContact O-CD2 3.31Å; P142-H146 VanDerWaalsContact O-CG 3.31Å; P142-H146 PolarHBondContact O-N 3.41Å
143D55.3Low59.4Low116 Ų116111.6 Ų111.662%0.6261%0.608SS**Hα-helixtrans-59.7-36177.1-61-17000113.9D141 H146 Y147D141-D143 HydrophobicContact CB-CB 4.5Å; D141-D143 PolarHBondContact O-N 3.39Å; D143-H146 PolarHBondContact O-N 3.14Å; D143-Y147 WeakPolarHBondContact O-CB 3.47Å; D143-Y147 PolarHBondContact O-N 3Å
144L61.1Low61.1Low139 Ų139107.2 Ų107.273%0.72858%0.582SS**Hα-helixtrans-76.5-37.4-179.8-143.780.7000111.6D141 P142 H146 Y147 S148D141-L144 PolarHBondContact O-N 2.64Å; P142-L144 VanDerWaalsContact C-N 3.34Å; P142-L144 PolarHBondContact O-N 2.6Å; L144-H146 VanDerWaalsContact C-N 3.33Å; L144-Y147 PolarHBondContact O-N 2.97Å; L144-S148 PolarHBondContact O-N 2.9Å; L144-S148 VanDerWaalsContact O-N 3.07Å; L144-S148 PolarHBondContact O-OG 3.31Å
145E63.6Low63Low79 Ų79109 Ų10937%0.36957%0.566SS.*Hα-helixtrans-66.8-37.9171.5-164.6-179.8166.500110.6P142 S148 R149P142-E145 PolarHBondContact O-N 3.34Å; E145-S148 PolarHBondContact O-OG 3.03Å; E145-R149 VanDerWaalsContact O-CB 3.29Å; E145-R149 WeakPolarHBondContact O-CB 3.46Å; E145-R149 WeakPolarHBondContact O-CG 3.39Å; E145-R149 PolarHBondContact O-N 3.13Å; E145-R149 IonicContact OE1-CZ 2.98Å; E145-R149 IonicContact OE1-NE 3.48Å; E145-R149 PolarHBondContact OE1-NE 3.39Å; E145-R149 IonicContact OE1-NH1 3.55Å; E145-R149 IonicContact OE1-NH2 2.59Å; E145-R149 PolarHBondContact OE1-NH2 3.21Å
146H59.3Low64.7Low112 Ų112111.3 Ų111.352%0.51957%0.569SS.*Hα-helixtrans-63.7-41.3172.3-76-60.4000112.1P142 D143 L144 R149 L150P142-H146 VanDerWaalsContact C-CD2 3.45Å; P142-H146 WeakPolarHBondContact O-CB 3.23Å; P142-H146 PolarHBondContact O-CD2 3.31Å; P142-H146 VanDerWaalsContact O-CG 3.31Å; P142-H146 PolarHBondContact O-N 3.41Å; D143-H146 PolarHBondContact O-N 3.14Å; L144-H146 VanDerWaalsContact C-N 3.33Å; H146-R149 PolarHBondContact O-N 2.82Å; H146-L150 VanDerWaalsContact O-CB 3.25Å; H146-L150 WeakPolarHBondContact O-CB 3.26Å; H146-L150 PolarHBondContact O-N 3.12Å
147Y67.3Low66.3Low177 Ų177109.4 Ų109.469%0.69455%0.553SS**Hα-helixtrans-67.1-42.5179.5-162.3-90.6000112.6D143 L144 L150 S151D143-Y147 WeakPolarHBondContact O-CB 3.47Å; D143-Y147 PolarHBondContact O-N 3Å; L144-Y147 PolarHBondContact O-N 2.97Å; Y147-L150 PolarHBondContact O-N 3.36Å; Y147-S151 WeakPolarHBondContact O-CB 3.29Å; Y147-S151 PolarHBondContact O-N 3.44Å
148S72.7Confident68.2Low57 Ų57107.3 Ų107.340%0.39954%0.543SS..Hα-helixtrans-66-40.9175.358.80000111.8L144 E145 S151 N152L144-S148 PolarHBondContact O-N 2.9Å; L144-S148 VanDerWaalsContact O-N 3.07Å; L144-S148 PolarHBondContact O-OG 3.31Å; E145-S148 PolarHBondContact O-OG 3.03Å; S148-S151 PolarHBondContact O-N 3.17Å; S148-N152 WeakPolarHBondContact O-CB 3.42Å; S148-N152 PolarHBondContact O-N 3.25Å
149R71.9Confident69.5Low138 Ų138104.4 Ų104.452%0.52153%0.529SS..Hα-helixtrans-62.1-42.5171.3-74.6174.7173.2174.9-0.3111.8E145 H146 S151 N152 V153E145-R149 VanDerWaalsContact O-CB 3.29Å; E145-R149 WeakPolarHBondContact O-CB 3.46Å; E145-R149 WeakPolarHBondContact O-CG 3.39Å; E145-R149 PolarHBondContact O-N 3.13Å; E145-R149 IonicContact OE1-CZ 2.98Å; E145-R149 IonicContact OE1-NE 3.48Å; E145-R149 PolarHBondContact OE1-NE 3.39Å; E145-R149 IonicContact OE1-NH1 3.55Å; E145-R149 IonicContact OE1-NH2 2.59Å; E145-R149 PolarHBondContact OE1-NH2 3.21Å; H146-R149 PolarHBondContact O-N 2.82Å; R149-S151 VanDerWaalsContact C-N 3.35Å; R149-N152 PolarHBondContact O-N 3.38Å; R149-V153 VanDerWaalsContact O-CB 3.25Å; R149-V153 WeakPolarHBondContact O-CB 3.42Å; R149-V153 WeakPolarHBondContact O-CG2 3.45Å; R149-V153 PolarHBondContact O-N 3.05Å
150L73.9Confident71Confident126 Ų126102 Ų10266%0.6652%0.522SS*.Hα-helixtrans-67.4-37.6179.6-154.275.4000111.4H146 Y147 G154H146-L150 VanDerWaalsContact O-CB 3.25Å; H146-L150 WeakPolarHBondContact O-CB 3.26Å; H146-L150 PolarHBondContact O-N 3.12Å; Y147-L150 PolarHBondContact O-N 3.36Å; L150-G154 PolarHBondContact O-N 2.91Å
151S79.7Confident72.3Confident51 Ų51100.9 Ų100.936%0.35752%0.516SS..Hα-helixtrans-65.5-44.5173.2-178.70000111.9Y147 S148 R149 G154 K155Y147-S151 WeakPolarHBondContact O-CB 3.29Å; Y147-S151 PolarHBondContact O-N 3.44Å; S148-S151 PolarHBondContact O-N 3.17Å; R149-S151 VanDerWaalsContact C-N 3.35Å; S151-G154 PolarHBondContact O-N 2.95Å; S151-K155 WeakPolarHBondContact O-CG 3.31Å; S151-K155 PolarHBondContact O-N 3.4Å
152N77.3Confident73.7Confident102 Ų10299.8 Ų99.855%0.54551%0.51SS..Hα-helixtrans-68.3-38.3176.5-76.511000112.1S148 R149 K155 Q156S148-N152 WeakPolarHBondContact O-CB 3.42Å; S148-N152 PolarHBondContact O-N 3.25Å; R149-N152 PolarHBondContact O-N 3.38Å; N152-K155 PolarHBondContact O-N 3.44Å; N152-Q156 WeakPolarHBondContact O-CB 3.33Å; N152-Q156 PolarHBondContact O-N 3.4Å
153V76.2Confident74.6Confident65 Ų65100 Ų10039%0.39451%0.513SS..Hα-helixtrans-65.6-40.4172.9168.30000110.2R149 Q156 I157R149-V153 VanDerWaalsContact O-CB 3.25Å; R149-V153 WeakPolarHBondContact O-CB 3.42Å; R149-V153 WeakPolarHBondContact O-CG2 3.45Å; R149-V153 PolarHBondContact O-N 3.05Å; V153-Q156 PolarHBondContact O-N 3.21Å; V153-I157 HydrophobicContact CG1-CD1 3.64Å; V153-I157 HydrophobicContact CG1-CG1 4.17Å; V153-I157 WeakPolarHBondContact O-CB 3.43Å; V153-I157 VanDerWaalsContact O-CG1 3.23Å; V153-I157 WeakPolarHBondContact O-CG1 3.06Å; V153-I157 PolarHBondContact O-N 2.88Å
154G81.3Confident75.8Confident27 Ų2796.2 Ų96.228%0.27850%0.502SS..Hα-helixtrans-58.2-49.3173.500000111.5L150 S151 Q156 I157 D158L150-G154 PolarHBondContact O-N 2.91Å; S151-G154 PolarHBondContact O-N 2.95Å; G154-Q156 PolarHBondContact O-N 3.09Å; G154-I157 PolarHBondContact O-N 3.32Å; G154-D158 WeakPolarHBondContact O-CB 3.23Å; G154-D158 PolarHBondContact O-N 3.28Å
155K80.9Confident76.7Confident122 Ų12292.7 Ų92.753%0.5349%0.489SS..Hα-helixtrans-61.5-41.2174.7-72.7175.4-178.4169.50112.7S151 N152 D158 D159S151-K155 WeakPolarHBondContact O-CG 3.31Å; S151-K155 PolarHBondContact O-N 3.4Å; N152-K155 PolarHBondContact O-N 3.44Å; K155-D158 PolarHBondContact O-N 2.92Å; K155-D159 WeakPolarHBondContact O-CB 3.46Å; K155-D159 PolarHBondContact O-N 3.33Å
156Q78.1Confident77.4Confident122 Ų12292.7 Ų92.757%0.5749%0.488SS*.Hα-helixtrans-67-40.2177.3-179.2174.489.100111.9N152 V153 G154 D158 D159 M160N152-Q156 WeakPolarHBondContact O-CB 3.33Å; N152-Q156 PolarHBondContact O-N 3.4Å; V153-Q156 PolarHBondContact O-N 3.21Å; G154-Q156 PolarHBondContact O-N 3.09Å; Q156-D158 VanDerWaalsContact C-N 3.34Å; Q156-D159 PolarHBondContact O-N 3.19Å; Q156-M160 HydrophobicContact CG-SD 4.43Å; Q156-M160 WeakPolarHBondContact O-CB 3.25Å; Q156-M160 VanDerWaalsContact O-CG 3.3Å; Q156-M160 WeakPolarHBondContact O-CG 3.12Å; Q156-M160 PolarHBondContact O-N 3.45Å
157I81.7Confident78.3Confident86 Ų8690.7 Ų90.744%0.44149%0.487SS..Hα-helixtrans-64.1-42.8174-72.5171.1000109.6V153 G154 M160 L161V153-I157 HydrophobicContact CG1-CD1 3.64Å; V153-I157 HydrophobicContact CG1-CG1 4.17Å; V153-I157 WeakPolarHBondContact O-CB 3.43Å; V153-I157 VanDerWaalsContact O-CG1 3.23Å; V153-I157 WeakPolarHBondContact O-CG1 3.06Å; V153-I157 PolarHBondContact O-N 2.88Å; G154-I157 PolarHBondContact O-N 3.32Å; I157-M160 CarbonylContact O-C 3.51Å; I157-M160 PolarHBondContact O-N 2.8Å; I157-L161 HydrophobicContact CG2-CD1 3.91Å; I157-L161 HydrophobicContact CG2-CG 4.21Å; I157-L161 WeakPolarHBondContact O-CB 3.16Å; I157-L161 VanDerWaalsContact O-CG 3.3Å; I157-L161 WeakPolarHBondContact O-CG 3.36Å; I157-L161 PolarHBondContact O-N 2.91Å
158D84.9Confident79Confident102 Ų10287.8 Ų87.855%0.54548%0.482SS..Hα-helixtrans-62.7-43.4175.5-75.2-25.5000111.4G154 K155 Q156 M160 L161 L162G154-D158 WeakPolarHBondContact O-CB 3.23Å; G154-D158 PolarHBondContact O-N 3.28Å; K155-D158 PolarHBondContact O-N 2.92Å; Q156-D158 VanDerWaalsContact C-N 3.34Å; D158-M160 VanDerWaalsContact C-N 3.34Å; D158-M160 PolarHBondContact O-N 2.85Å; D158-L161 PolarHBondContact O-N 2.78Å; D158-L162 WeakPolarHBondContact O-CB 3.17Å; D158-L162 PolarHBondContact O-N 3.19Å
159D82.2Confident79.2Confident87 Ų8787.6 Ų87.647%0.46548%0.481SS..Hα-helixtrans-63.9-38.4174.8-80.8-24.6000111.8K155 Q156 S163K155-D159 WeakPolarHBondContact O-CB 3.46Å; K155-D159 PolarHBondContact O-N 3.33Å; Q156-D159 PolarHBondContact O-N 3.19Å; D159-S163 WeakPolarHBondContact O-CB 3.5Å; D159-S163 PolarHBondContact O-N 3.25Å
160M78.1Confident79.6Confident129 Ų12983 Ų8364%0.63547%0.473SS*.Hα-helixtrans-68.5-40.2173.7-76.7-179.467.400112.5Q156 I157 D158 G164Q156-M160 HydrophobicContact CG-SD 4.43Å; Q156-M160 WeakPolarHBondContact O-CB 3.25Å; Q156-M160 VanDerWaalsContact O-CG 3.3Å; Q156-M160 WeakPolarHBondContact O-CG 3.12Å; Q156-M160 PolarHBondContact O-N 3.45Å; I157-M160 CarbonylContact O-C 3.51Å; I157-M160 PolarHBondContact O-N 2.8Å; D158-M160 VanDerWaalsContact C-N 3.34Å; D158-M160 PolarHBondContact O-N 2.85Å; M160-G164 WeakPolarHBondContact O-CA 3.34Å; M160-G164 PolarHBondContact O-N 3.4Å
161L82.8Confident79.8Confident113 Ų11381.9 Ų81.959%0.59247%0.467SS*.Hα-helixtrans-66.3-41.4176.2-79.3173.9000110.6I157 D158 G164 S165I157-L161 HydrophobicContact CG2-CD1 3.91Å; I157-L161 HydrophobicContact CG2-CG 4.21Å; I157-L161 WeakPolarHBondContact O-CB 3.16Å; I157-L161 VanDerWaalsContact O-CG 3.3Å; I157-L161 WeakPolarHBondContact O-CG 3.36Å; I157-L161 PolarHBondContact O-N 2.91Å; D158-L161 PolarHBondContact O-N 2.78Å; L161-G164 PolarHBondContact O-N 2.88Å; L161-S165 VanDerWaalsContact O-CB 3.3Å; L161-S165 WeakPolarHBondContact O-CB 2.98Å; L161-S165 PolarHBondContact O-N 3.36Å
162L81.6Confident79.8Confident72 Ų7285.3 Ų85.338%0.37748%0.478SS..Hα-helixtrans-68.3-46.2177.6-157.685.8000110.3D158 G164 S165 F166D158-L162 WeakPolarHBondContact O-CB 3.17Å; D158-L162 PolarHBondContact O-N 3.19Å; L162-G164 VanDerWaalsContact C-N 3.32Å; L162-G164 PolarHBondContact O-N 2.77Å; L162-S165 WeakPolarHBondContact O-CB 3.2Å; L162-S165 PolarHBondContact O-N 2.86Å; L162-F166 HydrophobicContact CD1-CE2 4.45Å; L162-F166 HydrophobicContact CD2-CE2 3.69Å; L162-F166 HydrophobicContact CG-CD2 4.16Å; L162-F166 HydrophobicContact CG-CE2 3.55Å; L162-F166 HydrophobicContact CG-CZ 4.44Å; L162-F166 WeakPolarHBondContact O-CD2 3.17Å; L162-F166 PolarHBondContact O-N 3.37Å
163S77.1Confident79.7Confident77 Ų7783.4 Ų83.454%0.53847%0.465SS..Hα-helixtrans-59.3-41.8172.5-1740000111.8D159 F166 S167D159-S163 WeakPolarHBondContact O-CB 3.5Å; D159-S163 PolarHBondContact O-N 3.25Å; S163-F166 PolarHBondContact O-N 3.19Å; S163-S167 WeakPolarHBondContact O-CB 3.19Å; S163-S167 PolarHBondContact O-N 2.71Å
164G81Confident79.4Confident38 Ų3885.8 Ų85.839%0.39247%0.472SS..Hα-helixtrans-62.9-42.9173.800000112.2M160 L161 L162 F166 S167 L168M160-G164 WeakPolarHBondContact O-CA 3.34Å; M160-G164 PolarHBondContact O-N 3.4Å; L161-G164 PolarHBondContact O-N 2.88Å; L162-G164 VanDerWaalsContact C-N 3.32Å; L162-G164 PolarHBondContact O-N 2.77Å; G164-F166 VanDerWaalsContact C-N 3.34Å; G164-F166 PolarHBondContact O-N 3.28Å; G164-S167 PolarHBondContact O-N 3.36Å; G164-L168 VanDerWaalsContact O-CB 3.3Å; G164-L168 WeakPolarHBondContact O-CB 3.5Å; G164-L168 PolarHBondContact O-N 3.07Å
165S79.8Confident79.1Confident65 Ų6585.7 Ų85.746%0.45547%0.472SS..Hα-helixtrans-63.2-38.9173.4175.60000111.7L161 L162 S169L161-S165 VanDerWaalsContact O-CB 3.3Å; L161-S165 WeakPolarHBondContact O-CB 2.98Å; L161-S165 PolarHBondContact O-N 3.36Å; L162-S165 WeakPolarHBondContact O-CB 3.2Å; L162-S165 PolarHBondContact O-N 2.86Å; S165-S169 VanDerWaalsContact O-CB 3.28Å; S165-S169 WeakPolarHBondContact O-CB 3.16Å; S165-S169 PolarHBondContact O-N 3.12Å; S165-S169 PolarHBondContact O-OG 2.77Å
166F78.2Confident78.8Confident79 Ų7984.6 Ų84.635%0.34647%0.469SS..Hα-helixtrans-67.3-43.7174.3-76.3-62000112.1L162 S163 G164 L168 S169 A170L162-F166 HydrophobicContact CD1-CE2 4.45Å; L162-F166 HydrophobicContact CD2-CE2 3.69Å; L162-F166 HydrophobicContact CG-CD2 4.16Å; L162-F166 HydrophobicContact CG-CE2 3.55Å; L162-F166 HydrophobicContact CG-CZ 4.44Å; L162-F166 WeakPolarHBondContact O-CD2 3.17Å; L162-F166 PolarHBondContact O-N 3.37Å; S163-F166 PolarHBondContact O-N 3.19Å; G164-F166 VanDerWaalsContact C-N 3.34Å; G164-F166 PolarHBondContact O-N 3.28Å; F166-L168 VanDerWaalsContact C-N 3.34Å; F166-S169 PolarHBondContact O-N 2.85Å; F166-A170 WeakPolarHBondContact O-CB 3.29Å; F166-A170 PolarHBondContact O-N 3.49Å
167S77.3Confident78.7Confident69 Ų6982.2 Ų82.248%0.48346%0.463SS..Hα-helixtrans-62.2-43.4175.2-1690000110.9S163 G164 S169 A170 L171S163-S167 WeakPolarHBondContact O-CB 3.19Å; S163-S167 PolarHBondContact O-N 2.71Å; G164-S167 PolarHBondContact O-N 3.36Å; S167-S169 PolarHBondContact O-N 3.32Å; S167-A170 PolarHBondContact O-N 2.64Å; S167-L171 WeakPolarHBondContact O-CB 3.16Å; S167-L171 VanDerWaalsContact O-CG 3.28Å; S167-L171 WeakPolarHBondContact O-CG 3.4Å; S167-L171 PolarHBondContact O-N 2.7Å
168L81.6Confident78.4Confident116 Ų11684 Ų8461%0.60747%0.473SS*.Hα-helixtrans-63.7-40.8174.9-173.466.3000111.9G164 F166 L171 Q172G164-L168 VanDerWaalsContact O-CB 3.3Å; G164-L168 WeakPolarHBondContact O-CB 3.5Å; G164-L168 PolarHBondContact O-N 3.07Å; F166-L168 VanDerWaalsContact C-N 3.34Å; L168-L171 PolarHBondContact O-N 3.41Å; L168-Q172 VanDerWaalsContact O-CB 3.25Å; L168-Q172 WeakPolarHBondContact O-CB 3.38Å; L168-Q172 PolarHBondContact O-N 2.72Å
169S78.6Confident78Confident53 Ų5385.4 Ų85.437%0.37147%0.474SS..Hα-helixtrans-65.7-41.3176-61.90000111.5S165 F166 S167 Q172 E173S165-S169 VanDerWaalsContact O-CB 3.28Å; S165-S169 WeakPolarHBondContact O-CB 3.16Å; S165-S169 PolarHBondContact O-N 3.12Å; S165-S169 PolarHBondContact O-OG 2.77Å; F166-S169 PolarHBondContact O-N 2.85Å; S167-S169 PolarHBondContact O-N 3.32Å; S169-Q172 PolarHBondContact O-N 3.44Å; S169-E173 WeakPolarHBondContact O-CB 3.5Å; S169-E173 PolarHBondContact O-N 2.94Å
170A78.7Confident77.8Confident43 Ų4386.9 Ų86.936%0.35548%0.477SS..Hα-helixtrans-64.4-43.117500000111.3F166 S167 E173 Q174F166-A170 WeakPolarHBondContact O-CB 3.29Å; F166-A170 PolarHBondContact O-N 3.49Å; S167-A170 PolarHBondContact O-N 2.64Å; A170-E173 PolarHBondContact O-N 3.31Å; A170-Q174 WeakPolarHBondContact O-CB 3.47Å; A170-Q174 VanDerWaalsContact O-CG 3.24Å; A170-Q174 WeakPolarHBondContact O-CG 3.5Å; A170-Q174 PolarHBondContact O-N 3.09Å
171L78.6Confident77.7Confident101 Ų10183 Ų8353%0.52947%0.465SS..Hα-helixtrans-65.6-40.1174.1-72.4174000112S167 L168 E173 G175S167-L171 WeakPolarHBondContact O-CB 3.16Å; S167-L171 VanDerWaalsContact O-CG 3.28Å; S167-L171 WeakPolarHBondContact O-CG 3.4Å; S167-L171 PolarHBondContact O-N 2.7Å; L168-L171 PolarHBondContact O-N 3.41Å; L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 2.91Å; L171-G175 PolarHBondContact O-N 2.63Å
172Q79.6Confident77.3Confident124 Ų12483.4 Ų83.458%0.57946%0.464SS*.Hα-helixtrans-62.7-42.7175-176.4179.13.800110.3L168 S169 G175 M176L168-Q172 VanDerWaalsContact O-CB 3.25Å; L168-Q172 WeakPolarHBondContact O-CB 3.38Å; L168-Q172 PolarHBondContact O-N 2.72Å; S169-Q172 PolarHBondContact O-N 3.44Å; Q172-G175 CarbonylContact O-C 3.59Å; Q172-G175 PolarHBondContact O-N 3.21Å; Q172-M176 VanDerWaalsContact O-CG 3.3Å; Q172-M176 WeakPolarHBondContact O-CG 3.3Å; Q172-M176 PolarHBondContact O-N 3.36Å
173E74.5Confident77.3Confident62 Ų6288.3 Ų88.329%0.2948%0.477SS..Hα-helixtrans-70.9-40.8179-174.2154.6-163.600113.1K89 S169 A170 L171 G175 M176 T177K89-E173 WeakPolarHBondContact CE-OE1 3.46Å; K89-E173 WeakPolarHBondContact CE-OE2 3.5Å; K89-E173 IonicContact NZ-OE1 3.34Å; K89-E173 PolarHBondContact NZ-OE1 3.01Å; K89-E173 IonicContact NZ-OE2 3.45Å; K89-E173 PolarHBondContact NZ-OE2 2.93Å; S169-E173 WeakPolarHBondContact O-CB 3.5Å; S169-E173 PolarHBondContact O-N 2.94Å; A170-E173 PolarHBondContact O-N 3.31Å; L171-E173 VanDerWaalsContact C-N 3.32Å; L171-E173 PolarHBondContact O-N 2.91Å; E173-G175 VanDerWaalsContact C-N 3.26Å; E173-G175 PolarHBondContact O-N 3.33Å; E173-M176 HydrophobicContact CB-CE 4.07Å; E173-M176 HydrophobicContact CG-CE 4.19Å; E173-M176 CarbonylContact O-C 3.57Å; E173-M176 WeakPolarHBondContact O-CB 3.33Å; E173-M176 PolarHBondContact O-N 3.5Å; E173-M176 VanDerWaalsContact O-N 3.08Å; E173-T177 PolarHBondContact O-N 3.02Å; E173-T177 PolarHBondContact O-OG1 3.26Å
174Q70Confident77Confident114 Ų11490.2 Ų90.253%0.53347%0.473SS..Hα-helixtrans-60.7-38.2168.8-71.8174.734.200111.3A170 M176 T177 L178A170-Q174 WeakPolarHBondContact O-CB 3.47Å; A170-Q174 VanDerWaalsContact O-CG 3.24Å; A170-Q174 WeakPolarHBondContact O-CG 3.5Å; A170-Q174 PolarHBondContact O-N 3.09Å; Q174-M176 VanDerWaalsContact C-N 3.34Å; Q174-T177 WeakPolarHBondContact CA-OG1 2.9Å; Q174-T177 PolarHBondContact O-N 3.34Å; Q174-T177 PolarHBondContact O-OG1 3.39Å; Q174-L178 WeakPolarHBondContact O-CB 3.45Å; Q174-L178 PolarHBondContact O-N 3.14Å
175G75.8Confident76.7Confident26 Ų2693.2 Ų93.227%0.26848%0.479SS..Hα-helixtrans-64.9-36.9171.900000112.5L171 Q172 E173 K179L171-G175 PolarHBondContact O-N 2.63Å; Q172-G175 CarbonylContact O-C 3.59Å; Q172-G175 PolarHBondContact O-N 3.21Å; E173-G175 VanDerWaalsContact C-N 3.26Å; E173-G175 PolarHBondContact O-N 3.33Å; G175-K179 VanDerWaalsContact O-CB 3.31Å; G175-K179 WeakPolarHBondContact O-CB 3.45Å; G175-K179 VanDerWaalsContact O-CG 3.27Å; G175-K179 WeakPolarHBondContact O-CG 3.49Å; G175-K179 PolarHBondContact O-N 3.38Å
176M75Confident76.5Confident99 Ų9994.8 Ų94.849%0.48848%0.48SS..Hα-helixtrans-69.5-37.1175.3-73.3-169.8-63.200112.1Q172 E173 Q174 K179 K180Q172-M176 VanDerWaalsContact O-CG 3.3Å; Q172-M176 WeakPolarHBondContact O-CG 3.3Å; Q172-M176 PolarHBondContact O-N 3.36Å; E173-M176 HydrophobicContact CB-CE 4.07Å; E173-M176 HydrophobicContact CG-CE 4.19Å; E173-M176 CarbonylContact O-C 3.57Å; E173-M176 WeakPolarHBondContact O-CB 3.33Å; E173-M176 PolarHBondContact O-N 3.5Å; E173-M176 VanDerWaalsContact O-N 3.08Å; Q174-M176 VanDerWaalsContact C-N 3.34Å; M176-K179 PolarHBondContact O-N 3.46Å; M176-K180 VanDerWaalsContact O-CB 3.24Å; M176-K180 WeakPolarHBondContact O-CB 3.43Å; M176-K180 PolarHBondContact O-N 2.99Å
177T74.7Confident76.4Confident72 Ų7295.3 Ų95.344%0.44249%0.487SS..Hα-helixtrans-69-40.8174.454.50000111.3E173 Q174 K180 A181E173-T177 PolarHBondContact O-N 3.02Å; E173-T177 PolarHBondContact O-OG1 3.26Å; Q174-T177 WeakPolarHBondContact CA-OG1 2.9Å; Q174-T177 PolarHBondContact O-N 3.34Å; Q174-T177 PolarHBondContact O-OG1 3.39Å; T177-K180 CarbonylContact O-C 3.51Å; T177-K180 PolarHBondContact O-N 3.39Å; T177-A181 WeakPolarHBondContact O-CB 3.38Å; T177-A181 PolarHBondContact O-N 3.46Å
178L75.7Confident76Confident123 Ų12396.2 Ų96.264%0.64449%0.485SS*.Hα-helixtrans-60.8-45.7170-92.1151.3000111.9Q174 K180 A181 Q182Q174-L178 WeakPolarHBondContact O-CB 3.45Å; Q174-L178 PolarHBondContact O-N 3.14Å; L178-K180 VanDerWaalsContact C-N 3.3Å; L178-K180 PolarHBondContact O-N 3.15Å; L178-A181 CarbonylContact O-C 3.6Å; L178-A181 PolarHBondContact O-N 3.32Å; L178-Q182 WeakPolarHBondContact O-CB 3.08Å; L178-Q182 PolarHBondContact O-N 3.07Å
179K77.5Confident75Confident132 Ų13295.9 Ų95.957%0.57448%0.483SS*.Hα-helixtrans-62.1-36.9173.5-78.2176.1179.81790111.8G175 M176 Q182 R183G175-K179 VanDerWaalsContact O-CB 3.31Å; G175-K179 WeakPolarHBondContact O-CB 3.45Å; G175-K179 VanDerWaalsContact O-CG 3.27Å; G175-K179 WeakPolarHBondContact O-CG 3.49Å; G175-K179 PolarHBondContact O-N 3.38Å; M176-K179 PolarHBondContact O-N 3.46Å; K179-Q182 PolarHBondContact O-N 2.89Å; K179-R183 WeakPolarHBondContact O-CB 3.46Å; K179-R183 VanDerWaalsContact O-CG 3.28Å; K179-R183 WeakPolarHBondContact O-CG 3.37Å; K179-R183 PolarHBondContact O-N 2.89Å
180K78Confident74.6Confident118 Ų11898.9 Ų98.951%0.51350%0.495SS..Hα-helixtrans-69.5-37.3175.6-168.1176.9-175.6-179.30111.2M176 T177 L178 R184M176-K180 VanDerWaalsContact O-CB 3.24Å; M176-K180 WeakPolarHBondContact O-CB 3.43Å; M176-K180 PolarHBondContact O-N 2.99Å; T177-K180 CarbonylContact O-C 3.51Å; T177-K180 PolarHBondContact O-N 3.39Å; L178-K180 VanDerWaalsContact C-N 3.3Å; L178-K180 PolarHBondContact O-N 3.15Å; K180-R184 WeakPolarHBondContact O-CB 3.46Å; K180-R184 VanDerWaalsContact O-CG 3.31Å; K180-R184 WeakPolarHBondContact O-CG 3.43Å; K180-R184 PolarHBondContact O-N 3.41Å
181A75Confident73.9Confident47 Ų47102.1 Ų102.139%0.38851%0.511SS..Hα-helixtrans-67.2-43.4172.400000111.3T177 L178 R184 I185T177-A181 WeakPolarHBondContact O-CB 3.38Å; T177-A181 PolarHBondContact O-N 3.46Å; L178-A181 CarbonylContact O-C 3.6Å; L178-A181 PolarHBondContact O-N 3.32Å; A181-R184 CarbonylContact O-C 3.6Å; A181-R184 WeakPolarHBondContact O-CB 3.4Å; A181-R184 PolarHBondContact O-N 2.97Å; A181-I185 WeakPolarHBondContact O-CG1 3.48Å; A181-I185 PolarHBondContact O-N 3.43Å
182Q75.5Confident72.3Confident122 Ų122102 Ų10257%0.5751%0.51SS*.Hα-helixtrans-62.6-43.2174.3-175-173-9.200111.3L178 K179 R184 I185 M186L178-Q182 WeakPolarHBondContact O-CB 3.08Å; L178-Q182 PolarHBondContact O-N 3.07Å; K179-Q182 PolarHBondContact O-N 2.89Å; Q182-R184 VanDerWaalsContact C-N 3.35Å; Q182-I185 CarbonylContact O-C 3.31Å; Q182-I185 PolarHBondContact O-N 2.89Å; Q182-M186 WeakPolarHBondContact O-CB 2.89Å; Q182-M186 PolarHBondContact O-N 2.96Å
183R80.7Confident71.2Confident175 Ų17598.1 Ų98.166%0.6650%0.503SS*.Hα-helixtrans-62-42.5172.4-76.8178.8-172.2-167.42111K179 I185 M186 D187K179-R183 WeakPolarHBondContact O-CB 3.46Å; K179-R183 VanDerWaalsContact O-CG 3.28Å; K179-R183 WeakPolarHBondContact O-CG 3.37Å; K179-R183 PolarHBondContact O-N 2.89Å; R183-I185 PolarHBondContact O-N 3.3Å; R183-M186 CarbonylContact O-C 3.53Å; R183-M186 PolarHBondContact O-N 2.94Å; R183-M186 VanDerWaalsContact O-N 3.16Å; R183-D187 WeakPolarHBondContact O-CB 3.32Å; R183-D187 PolarHBondContact O-N 3.22Å
184R71.8Confident70.3Confident116 Ų116101.9 Ų101.944%0.43853%0.525SS..Hα-helixtrans-62.2-40.4173.3-76.9-178.4-178.2-167.44.5112.3D82 K180 A181 Q182 M186 D187 I188D82-R184 IonicContact OD2-NH2 2.66Å; K180-R184 WeakPolarHBondContact O-CB 3.46Å; K180-R184 VanDerWaalsContact O-CG 3.31Å; K180-R184 WeakPolarHBondContact O-CG 3.43Å; K180-R184 PolarHBondContact O-N 3.41Å; A181-R184 CarbonylContact O-C 3.6Å; A181-R184 WeakPolarHBondContact O-CB 3.4Å; A181-R184 PolarHBondContact O-N 2.97Å; Q182-R184 VanDerWaalsContact C-N 3.35Å; R184-M186 VanDerWaalsContact C-N 3.34Å; R184-D187 PolarHBondContact O-N 3.28Å; R184-I188 WeakPolarHBondContact O-CB 3.47Å; R184-I188 WeakPolarHBondContact O-CD1 3.35Å; R184-I188 WeakPolarHBondContact O-CG1 3.48Å; R184-I188 PolarHBondContact O-N 3.43Å
185I73.9Confident69.9Low102 Ų10298.2 Ų98.252%0.52351%0.512SS..Hα-helixtrans-65.4-40.6174-69.9168.2000109.8A181 Q182 R183 I188 L189A181-I185 WeakPolarHBondContact O-CG1 3.48Å; A181-I185 PolarHBondContact O-N 3.43Å; Q182-I185 CarbonylContact O-C 3.31Å; Q182-I185 PolarHBondContact O-N 2.89Å; R183-I185 PolarHBondContact O-N 3.3Å; I185-I188 CarbonylContact O-C 3.59Å; I185-I188 PolarHBondContact O-N 3.4Å; I185-L189 HydrophobicContact CG2-CD1 3.77Å; I185-L189 HydrophobicContact CG2-CG 4.19Å; I185-L189 VanDerWaalsContact O-CB 3.25Å; I185-L189 WeakPolarHBondContact O-CB 3.47Å; I185-L189 WeakPolarHBondContact O-CG 3.27Å; I185-L189 PolarHBondContact O-N 2.91Å
186M75.2Confident69.2Low97 Ų97103.7 Ų103.748%0.47854%0.535SS..Hα-helixtrans-67.3-39.9176.3-172.7-177.9-71.400111.7Q182 R183 R184 L189 N190Q182-M186 WeakPolarHBondContact O-CB 2.89Å; Q182-M186 PolarHBondContact O-N 2.96Å; R183-M186 CarbonylContact O-C 3.53Å; R183-M186 PolarHBondContact O-N 2.94Å; R183-M186 VanDerWaalsContact O-N 3.16Å; R184-M186 VanDerWaalsContact C-N 3.34Å; M186-L189 CarbonylContact O-C 3.59Å; M186-L189 PolarHBondContact O-N 3.22Å; M186-N190 WeakPolarHBondContact O-CB 3.42Å; M186-N190 PolarHBondContact O-N 2.92Å; M186-N190 PolarHBondContact O-ND2 3.36Å
187D76.8Confident68.6Low91 Ų91103.1 Ų103.149%0.48754%0.537SS..Hα-helixtrans-68-41174.9-66.7-29.3000109.8R183 R184 L189 N190 T191R183-D187 WeakPolarHBondContact O-CB 3.32Å; R183-D187 PolarHBondContact O-N 3.22Å; R184-D187 PolarHBondContact O-N 3.28Å; D187-L189 VanDerWaalsContact C-N 3.34Å; D187-N190 PolarHBondContact O-N 3.41Å; D187-T191 WeakPolarHBondContact O-CB 3.4Å; D187-T191 WeakPolarHBondContact O-CG2 3.45Å; D187-T191 PolarHBondContact O-N 3.47Å; D187-T191 PolarHBondContact O-OG1 2.78Å
188I67.8Low68.1Low88 Ų88102.4 Ų102.445%0.45153%0.533SS..Hα-helixtrans-62.8-41.2170.3-72.9165.1000109.5R184 I185 T191 L192R184-I188 WeakPolarHBondContact O-CB 3.47Å; R184-I188 WeakPolarHBondContact O-CD1 3.35Å; R184-I188 WeakPolarHBondContact O-CG1 3.48Å; R184-I188 PolarHBondContact O-N 3.43Å; I185-I188 CarbonylContact O-C 3.59Å; I185-I188 PolarHBondContact O-N 3.4Å; I188-T191 WeakPolarHBondContact CA-OG1 3.42Å; I188-T191 PolarHBondContact O-OG1 2.84Å; I188-L192 HydrophobicContact CG2-CD1 3.27Å; I188-L192 HydrophobicContact CG2-CG 3.74Å; I188-L192 WeakPolarHBondContact O-CA 3.37Å; I188-L192 WeakPolarHBondContact O-CB 3.46Å; I188-L192 WeakPolarHBondContact O-CG 3.18Å; I188-L192 PolarHBondContact O-N 3.35Å
189L62.4Low67.6Low109 Ų109101.8 Ų101.857%0.57153%0.528SS*.Hα-helixtrans-72.5-31.8178.5-76.3169.3000112.1I185 M186 D187 L192 G193I185-L189 HydrophobicContact CG2-CD1 3.77Å; I185-L189 HydrophobicContact CG2-CG 4.19Å; I185-L189 VanDerWaalsContact O-CB 3.25Å; I185-L189 WeakPolarHBondContact O-CB 3.47Å; I185-L189 WeakPolarHBondContact O-CG 3.27Å; I185-L189 PolarHBondContact O-N 2.91Å; M186-L189 CarbonylContact O-C 3.59Å; M186-L189 PolarHBondContact O-N 3.22Å; D187-L189 VanDerWaalsContact C-N 3.34Å; L189-L192 CarbonylContact O-C 3.59Å; L189-L192 VanDerWaalsContact O-C 3.31Å; L189-G193 WeakPolarHBondContact O-CA 3.38Å; L189-G193 PolarHBondContact O-N 3.02Å
190N69.2Low67.1Low115 Ų115104.4 Ų104.462%0.61553%0.534SS*.Hα-helixtrans-77.8-36.6176.6-73.4-18.1000111.1M186 D187 G193M186-N190 WeakPolarHBondContact O-CB 3.42Å; M186-N190 PolarHBondContact O-N 2.92Å; M186-N190 PolarHBondContact O-ND2 3.36Å; D187-N190 PolarHBondContact O-N 3.41Å; N190-G193 WeakPolarHBondContact O-CA 3.25Å; N190-G193 PolarHBondContact O-N 2.66Å
191T63.9Low66.6Low112 Ų112103.8 Ų103.869%0.68754%0.536SS*.Hα-helixtrans-85.2-37177.7580000112.5D187 I188 G193D187-T191 WeakPolarHBondContact O-CB 3.4Å; D187-T191 WeakPolarHBondContact O-CG2 3.45Å; D187-T191 PolarHBondContact O-N 3.47Å; D187-T191 PolarHBondContact O-OG1 2.78Å; I188-T191 WeakPolarHBondContact CA-OG1 3.42Å; I188-T191 PolarHBondContact O-OG1 2.84Å; T191-G193 PolarHBondContact O-N 2.82Å
192L46.2Very low66.2Low97 Ų97104.9 Ų104.951%0.50853%0.534SS..THydrogen-bonded Turntrans-82.730.1159.1-49.5179.8000110.5I188 L189 L194 S195I188-L192 HydrophobicContact CG2-CD1 3.27Å; I188-L192 HydrophobicContact CG2-CG 3.74Å; I188-L192 WeakPolarHBondContact O-CA 3.37Å; I188-L192 WeakPolarHBondContact O-CB 3.46Å; I188-L192 WeakPolarHBondContact O-CG 3.18Å; I188-L192 PolarHBondContact O-N 3.35Å; L189-L192 CarbonylContact O-C 3.59Å; L189-L192 VanDerWaalsContact O-C 3.31Å; L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 CarbonylContact O-C 3.57Å; L192-L194 WeakPolarHBondContact O-CA 3.2Å; L192-L194 PolarHBondContact O-N 3.49Å; L192-S195 PolarHBondContact O-N 2.88Å
193G56.5Low65.9Low43 Ų43105 Ų10544%0.44354%0.535SS..THydrogen-bonded Turntrans-35.680.9-177.600000114.3L189 N190 T191 S195L189-G193 WeakPolarHBondContact O-CA 3.38Å; L189-G193 PolarHBondContact O-N 3.02Å; N190-G193 WeakPolarHBondContact O-CA 3.25Å; N190-G193 PolarHBondContact O-N 2.66Å; T191-G193 PolarHBondContact O-N 2.82Å; G193-S195 WeakPolarHBondContact O-CA 3.22Å; G193-S195 PolarHBondContact O-N 3.15Å
194L55.6Low65.3Low141 Ų141104.1 Ų104.174%0.73853%0.532SS*.THydrogen-bonded Turntrans29.341.6-162.2-79.4164.1000111.9L192L192-L194 VanDerWaalsContact C-N 3.31Å; L192-L194 CarbonylContact O-C 3.57Å; L192-L194 WeakPolarHBondContact O-CA 3.2Å; L192-L194 PolarHBondContact O-N 3.49Å
195S60.4Low65.5Low38 Ų38106.1 Ų106.127%0.26654%0.539SS..THydrogen-bonded Turntrans-49.8143.7-150.5173.20000107.7L192 G193 T197 V198 M199L192-S195 PolarHBondContact O-N 2.88Å; G193-S195 WeakPolarHBondContact O-CA 3.22Å; G193-S195 PolarHBondContact O-N 3.15Å; S195-T197 CarbonylContact O-C 3.28Å; S195-T197 VanDerWaalsContact O-C 3.28Å; S195-T197 WeakPolarHBondContact O-CA 3.47Å; S195-T197 PolarHBondContact O-N 2.91Å; S195-V198 PolarHBondContact O-N 2.84Å; S195-M199 PolarHBondContact O-N 3.49Å
196N62Low65.6Low141 Ų141104 Ų10475%0.75453%0.533SS*.Hα-helixtrans-39.5-28.6-179-87.7-9000113.7R200N196-R200 WeakPolarHBondContact O-CA 3.27Å; N196-R200 WeakPolarHBondContact O-CB 3.35Å; N196-R200 PolarHBondContact O-N 2.78Å
197T62.2Low65.7Low86 Ų86104.7 Ų104.753%0.52854%0.535SS..Hα-helixtrans-53-53.9163.7-45.60000116.6S195 R200 L201S195-T197 CarbonylContact O-C 3.28Å; S195-T197 VanDerWaalsContact O-C 3.28Å; S195-T197 WeakPolarHBondContact O-CA 3.47Å; S195-T197 PolarHBondContact O-N 2.91Å; T197-R200 CarbonylContact O-C 3.54Å; T197-R200 PolarHBondContact O-N 3.5Å; T197-L201 HydrophobicContact CG2-CD1 4.36Å; T197-L201 WeakPolarHBondContact O-CB 2.9Å; T197-L201 WeakPolarHBondContact O-CG 3.34Å; T197-L201 PolarHBondContact O-N 2.95Å
198V63.2Low65.7Low58 Ų58105 Ų10535%0.35253%0.533SS..Hα-helixtrans-67.2-42.9175.81790000111S195 R200 L201 I202S195-V198 PolarHBondContact O-N 2.84Å; V198-R200 VanDerWaalsContact C-N 3.26Å; V198-R200 PolarHBondContact O-N 2.87Å; V198-L201 WeakPolarHBondContact O-CB 3.38Å; V198-L201 PolarHBondContact O-N 3.34Å; V198-L201 VanDerWaalsContact O-N 3.12Å; V198-I202 HydrophobicContact CG1-CD1 4.01Å; V198-I202 WeakPolarHBondContact O-CG1 3.29Å; V198-I202 PolarHBondContact O-N 3.04Å
199M66.6Low66.6Low110 Ų110105.8 Ų105.854%0.54254%0.539SS..Hα-helixtrans-58.4-41.5172.7-17462.5-171.300110.9S195 I202 E203S195-M199 PolarHBondContact O-N 3.49Å; M199-I202 CarbonylContact O-C 3.57Å; M199-I202 PolarHBondContact O-N 3Å; M199-E203 WeakPolarHBondContact O-CB 3.25Å; M199-E203 PolarHBondContact O-N 3.4Å
200R66.3Low67.7Low186 Ų186106.9 Ų106.970%0.70254%0.539SS*.Hα-helixtrans-70.5-30.7175.9-169.3174.597.4150.36112.6N196 T197 V198 R204N196-R200 WeakPolarHBondContact O-CA 3.27Å; N196-R200 WeakPolarHBondContact O-CB 3.35Å; N196-R200 PolarHBondContact O-N 2.78Å; T197-R200 CarbonylContact O-C 3.54Å; T197-R200 PolarHBondContact O-N 3.5Å; V198-R200 VanDerWaalsContact C-N 3.26Å; V198-R200 PolarHBondContact O-N 2.87Å; R200-R204 VanDerWaalsContact O-CB 3.22Å; R200-R204 WeakPolarHBondContact O-CB 3.32Å; R200-R204 PolarHBondContact O-N 2.89Å
201L66.9Low68.6Low105 Ų105105.5 Ų105.555%0.5553%0.53SS..Hα-helixtrans-69-39.4171.7-74.9166.5000110.6T197 V198 R204 R205T197-L201 HydrophobicContact CG2-CD1 4.36Å; T197-L201 WeakPolarHBondContact O-CB 2.9Å; T197-L201 WeakPolarHBondContact O-CG 3.34Å; T197-L201 PolarHBondContact O-N 2.95Å; V198-L201 WeakPolarHBondContact O-CB 3.38Å; V198-L201 PolarHBondContact O-N 3.34Å; V198-L201 VanDerWaalsContact O-N 3.12Å; L201-R204 PolarHBondContact O-N 3.3Å; L201-R205 PolarHBondContact O-N 3.34Å
202I66.4Low69.7Low70 Ų70105.8 Ų105.836%0.35953%0.527SS..Hα-helixtrans-69.5-36174-71.8167000111.4V198 M199 R205V198-I202 HydrophobicContact CG1-CD1 4.01Å; V198-I202 WeakPolarHBondContact O-CG1 3.29Å; V198-I202 PolarHBondContact O-N 3.04Å; M199-I202 CarbonylContact O-C 3.57Å; M199-I202 PolarHBondContact O-N 3Å; I202-R205 WeakPolarHBondContact O-CG 3.4Å
203E69.1Low71.9Confident125 Ų125107.5 Ų107.558%0.58453%0.531SS*.Hα-helixtrans-70.7-36.2173.5-168.4174.2-162.600110.9M199 R205 S206 H207M199-E203 WeakPolarHBondContact O-CB 3.25Å; M199-E203 PolarHBondContact O-N 3.4Å; E203-R205 VanDerWaalsContact C-N 3.34Å; E203-R205 PolarHBondContact O-N 2.97Å; E203-S206 CarbonylContact O-C 3.58Å; E203-S206 WeakPolarHBondContact O-CA 3.42Å; E203-S206 WeakPolarHBondContact O-CB 3.41Å; E203-S206 PolarHBondContact O-N 3.46Å; E203-H207 PolarHBondContact O-N 3.04Å
204R69.1Low73.7Confident157 Ų157114 Ų11459%0.59254%0.542SS*.Hα-helixtrans-63-36.8177.8-168.4176-177.1-177.21.8112.2R200 L201 S206 H207 Q208R200-R204 VanDerWaalsContact O-CB 3.22Å; R200-R204 WeakPolarHBondContact O-CB 3.32Å; R200-R204 PolarHBondContact O-N 2.89Å; L201-R204 PolarHBondContact O-N 3.3Å; R204-S206 VanDerWaalsContact C-N 3.35Å; R204-H207 PolarHBondContact O-N 3.5Å; R204-Q208 HydrophobicContact CG-CG 4.23Å; R204-Q208 VanDerWaalsContact O-CB 3.27Å; R204-Q208 WeakPolarHBondContact O-CB 3.41Å; R204-Q208 VanDerWaalsContact O-CG 3.25Å; R204-Q208 WeakPolarHBondContact O-CG 3.27Å; R204-Q208 PolarHBondContact O-N 2.88Å
205R75.6Confident75.5Confident158 Ų158111 Ų11160%0.59653%0.53SS*.Hα-helixtrans-62-43.4171.458.1169.1-172.4173.73111.2L201 I202 E203 H207 Q208 D209L201-R205 PolarHBondContact O-N 3.34Å; I202-R205 WeakPolarHBondContact O-CG 3.4Å; E203-R205 VanDerWaalsContact C-N 3.34Å; E203-R205 PolarHBondContact O-N 2.97Å; R205-H207 VanDerWaalsContact C-N 3.33Å; R205-H207 PolarHBondContact O-N 2.9Å; R205-Q208 PolarHBondContact O-N 3.27Å; R205-D209 WeakPolarHBondContact O-CB 3.34Å; R205-D209 PolarHBondContact O-N 3.46Å
206S75.5Confident77.1Confident56 Ų56114.8 Ų114.839%0.39255%0.546SS..Hα-helixtrans-64.9-37.1177.5-169.60000112.4E203 R204 K210E203-S206 CarbonylContact O-C 3.58Å; E203-S206 WeakPolarHBondContact O-CA 3.42Å; E203-S206 WeakPolarHBondContact O-CB 3.41Å; E203-S206 PolarHBondContact O-N 3.46Å; R204-S206 VanDerWaalsContact C-N 3.35Å; S206-K210 WeakPolarHBondContact O-CG 3.45Å; S206-K210 PolarHBondContact O-N 3.3Å; S206-K210 VanDerWaalsContact O-N 3.17Å
207H77.8Confident78.7Confident113 Ų113110.2 Ų110.252%0.52352%0.524SS..Hα-helixtrans-71.9-38.3175.9-167-62.1000112.1E203 R204 R205 K210 I211E203-H207 PolarHBondContact O-N 3.04Å; R204-H207 PolarHBondContact O-N 3.5Å; R205-H207 VanDerWaalsContact C-N 3.33Å; R205-H207 PolarHBondContact O-N 2.9Å; H207-K210 PolarHBondContact O-N 3.28Å; H207-I211 WeakPolarHBondContact CE1-CD1 3.4Å; H207-I211 WeakPolarHBondContact ND1-CD1 3.4Å; H207-I211 WeakPolarHBondContact O-CG1 3.27Å; H207-I211 PolarHBondContact O-N 2.99Å
208Q77.4Confident80.3Confident96 Ų96108.3 Ų108.345%0.44952%0.516SS..Hα-helixtrans-64.8-42.8175.6-79.7176.4-41.100111.2R204 R205 K210 I211 L212R204-Q208 HydrophobicContact CG-CG 4.23Å; R204-Q208 VanDerWaalsContact O-CB 3.27Å; R204-Q208 WeakPolarHBondContact O-CB 3.41Å; R204-Q208 VanDerWaalsContact O-CG 3.25Å; R204-Q208 WeakPolarHBondContact O-CG 3.27Å; R204-Q208 PolarHBondContact O-N 2.88Å; R205-Q208 PolarHBondContact O-N 3.27Å; Q208-K210 VanDerWaalsContact C-N 3.3Å; Q208-K210 PolarHBondContact O-N 3.31Å; Q208-I211 PolarHBondContact O-N 2.97Å; Q208-L212 WeakPolarHBondContact O-CB 3.3Å; Q208-L212 PolarHBondContact O-N 3.22Å
209D85.3Confident81.8Confident105 Ų105109 Ų10956%0.56152%0.52SS*.Hα-helixtrans-59.9-41.6174.9-67.4-21.9000111.1R205 L212 F213R205-D209 WeakPolarHBondContact O-CB 3.34Å; R205-D209 PolarHBondContact O-N 3.46Å; D209-L212 PolarHBondContact O-N 3.42Å; D209-F213 PolarHBondContact O-N 3.32Å
210K87.3Confident83.1Confident132 Ų132106.6 Ų106.657%0.57451%0.512SS*.Hα-helixtrans-64.5-43.1174.6-73.2173.5-175.6176.30112.8S206 H207 Q208 F213 W214S206-K210 WeakPolarHBondContact O-CG 3.45Å; S206-K210 PolarHBondContact O-N 3.3Å; S206-K210 VanDerWaalsContact O-N 3.17Å; H207-K210 PolarHBondContact O-N 3.28Å; Q208-K210 VanDerWaalsContact C-N 3.3Å; Q208-K210 PolarHBondContact O-N 3.31Å; K210-F213 PolarHBondContact O-N 2.9Å; K210-W214 PolarHBondContact O-N 3.47Å; K210-W214 VanDerWaalsContact O-N 3.15Å
211I86.6Confident84.5Confident86 Ų86103 Ų10344%0.44151%0.506SS..Hα-helixtrans-62.4-46.3176.5-70.5166.2000110H207 Q208 F213 W214 V215H207-I211 WeakPolarHBondContact CE1-CD1 3.4Å; H207-I211 WeakPolarHBondContact ND1-CD1 3.4Å; H207-I211 WeakPolarHBondContact O-CG1 3.27Å; H207-I211 PolarHBondContact O-N 2.99Å; Q208-I211 PolarHBondContact O-N 2.97Å; I211-F213 PolarHBondContact O-N 2.75Å; I211-W214 PolarHBondContact O-N 3.46Å; I211-W214 VanDerWaalsContact O-N 3.14Å; I211-V215 HydrophobicContact CG2-CG2 4.03Å; I211-V215 WeakPolarHBondContact O-CG2 3.13Å; I211-V215 PolarHBondContact O-N 3.47Å
212L88.2Confident85.8Confident119 Ų119103.4 Ų103.462%0.62351%0.508SS*.Hα-helixtrans-56.5-42178.7-95.3163.8000111.4Q208 D209 V215 L216Q208-L212 WeakPolarHBondContact O-CB 3.3Å; Q208-L212 PolarHBondContact O-N 3.22Å; D209-L212 PolarHBondContact O-N 3.42Å; L212-V215 PolarHBondContact O-N 2.95Å; L212-L216 WeakPolarHBondContact O-CB 3.49Å; L212-L216 PolarHBondContact O-N 3.33Å
213F92.2Very high87.1Confident132 Ų132105.3 Ų105.358%0.57952%0.518SS*.Hα-helixtrans-59.8-49.7174.8-176.2-97.1000112.3D209 K210 I211 V215 L216 V217D209-F213 PolarHBondContact O-N 3.32Å; K210-F213 PolarHBondContact O-N 2.9Å; I211-F213 PolarHBondContact O-N 2.75Å; F213-V215 PolarHBondContact O-N 3.03Å; F213-L216 PolarHBondContact O-N 3.23Å; F213-V217 HydrophobicContact CD1-CG2 4.25Å; F213-V217 HydrophobicContact CE1-CG2 3.88Å; F213-V217 HydrophobicContact CZ-CG2 4.07Å; F213-V217 WeakPolarHBondContact O-CG2 3.4Å; F213-V217 PolarHBondContact O-N 2.85Å
214W93.6Very high88.3Confident179 Ų179106.3 Ų106.368%0.67852%0.521SS*.Hα-helixtrans-64.2-38.7179-78.7110.9000113.4K210 I211 L216 V217 A218K210-W214 PolarHBondContact O-N 3.47Å; K210-W214 VanDerWaalsContact O-N 3.15Å; I211-W214 PolarHBondContact O-N 3.46Å; I211-W214 VanDerWaalsContact O-N 3.14Å; W214-L216 VanDerWaalsContact C-N 3.33Å; W214-V217 PolarHBondContact O-N 3.36Å; W214-A218 WeakPolarHBondContact O-CB 3.26Å; W214-A218 PolarHBondContact O-N 3.47Å
215V94.2Very high89.4Confident80 Ų80105.9 Ų105.949%0.48552%0.519SS..Hα-helixtrans-62.3-43.8175.4171.20000110.2I211 L212 F213 A218 V219I211-V215 HydrophobicContact CG2-CG2 4.03Å; I211-V215 WeakPolarHBondContact O-CG2 3.13Å; I211-V215 PolarHBondContact O-N 3.47Å; L212-V215 PolarHBondContact O-N 2.95Å; F213-V215 PolarHBondContact O-N 3.03Å; V215-A218 PolarHBondContact O-N 2.95Å; V215-V219 HydrophobicContact CG1-CG2 4.48Å; V215-V219 VanDerWaalsContact O-CG2 3.29Å; V215-V219 WeakPolarHBondContact O-CG2 3.4Å; V215-V219 PolarHBondContact O-N 3.22Å
216L93.8Very high90.3Very high117 Ų117100 Ų10061%0.61351%0.508SS*.Hα-helixtrans-64.1-43.4178.4-164.368.8000111.6L212 F213 W214 A218 V219 T220L212-L216 WeakPolarHBondContact O-CB 3.49Å; L212-L216 PolarHBondContact O-N 3.33Å; F213-L216 PolarHBondContact O-N 3.23Å; W214-L216 VanDerWaalsContact C-N 3.33Å; L216-A218 PolarHBondContact O-N 3.26Å; L216-V219 PolarHBondContact O-N 3.47Å; L216-T220 WeakPolarHBondContact O-CG2 3.38Å; L216-T220 PolarHBondContact O-N 3.35Å; L216-T220 PolarHBondContact O-OG1 2.84Å
217V95.3Very high91.2Very high45 Ų45102.4 Ų102.427%0.27352%0.515SS..Hα-helixtrans-59.6-47.3174.4171.90000111.1F213 W214 V219 T220 L221F213-V217 HydrophobicContact CD1-CG2 4.25Å; F213-V217 HydrophobicContact CE1-CG2 3.88Å; F213-V217 HydrophobicContact CZ-CG2 4.07Å; F213-V217 WeakPolarHBondContact O-CG2 3.4Å; F213-V217 PolarHBondContact O-N 2.85Å; W214-V217 PolarHBondContact O-N 3.36Å; V217-V219 PolarHBondContact O-N 3.16Å; V217-T220 PolarHBondContact O-N 3.15Å; V217-T220 PolarHBondContact O-OG1 3.07Å; V217-L221 HydrophobicContact CG1-CD1 4.18Å; V217-L221 WeakPolarHBondContact O-CG 3.29Å; V217-L221 PolarHBondContact O-N 3.45Å
218A95Very high91.9Very high45 Ų45105.1 Ų105.137%0.37252%0.521SS..Hα-helixtrans-60.6-43.5178.800000112.2W214 V215 L216 T220 L221 I222W214-A218 WeakPolarHBondContact O-CB 3.26Å; W214-A218 PolarHBondContact O-N 3.47Å; V215-A218 PolarHBondContact O-N 2.95Å; L216-A218 PolarHBondContact O-N 3.26Å; A218-T220 VanDerWaalsContact C-N 3.35Å; A218-T220 PolarHBondContact O-N 3.37Å; A218-L221 PolarHBondContact O-N 2.9Å; A218-I222 VanDerWaalsContact O-CG1 3.3Å; A218-I222 WeakPolarHBondContact O-CG1 3.46Å; A218-I222 PolarHBondContact O-N 3.26Å
219V95.7Very high92.5Very high72 Ų72108.3 Ų108.344%0.43653%0.529SS..Hα-helixtrans-60.4-44.7176.2170.10000111V215 L216 V217 L221 I222 L223V215-V219 HydrophobicContact CG1-CG2 4.48Å; V215-V219 VanDerWaalsContact O-CG2 3.29Å; V215-V219 WeakPolarHBondContact O-CG2 3.4Å; V215-V219 PolarHBondContact O-N 3.22Å; L216-V219 PolarHBondContact O-N 3.47Å; V217-V219 PolarHBondContact O-N 3.16Å; V219-L221 PolarHBondContact O-N 2.65Å; V219-I222 PolarHBondContact O-N 2.87Å; V219-L223 HydrophobicContact CG1-CD1 4.42Å; V219-L223 WeakPolarHBondContact O-CG 3.3Å; V219-L223 PolarHBondContact O-N 3.35Å
220T93.7Very high92.6Very high61 Ų61110.8 Ų110.837%0.37454%0.541SS..Hα-helixtrans-63.5-40177.459.60000112.6L216 V217 A218 L223 F224L216-T220 WeakPolarHBondContact O-CG2 3.38Å; L216-T220 PolarHBondContact O-N 3.35Å; L216-T220 PolarHBondContact O-OG1 2.84Å; V217-T220 PolarHBondContact O-N 3.15Å; V217-T220 PolarHBondContact O-OG1 3.07Å; A218-T220 VanDerWaalsContact C-N 3.35Å; A218-T220 PolarHBondContact O-N 3.37Å; T220-L223 PolarHBondContact O-N 3.01Å; T220-F224 WeakPolarHBondContact O-CD2 3.47Å; T220-F224 PolarHBondContact O-N 3.49Å
221L95Very high92.2Very high109 Ų109113.6 Ų113.657%0.57155%0.554SS**Hα-helixtrans-64.1-40.1175.8-73.1173.7000112.4V217 A218 V219 L223 F224 W225V217-L221 HydrophobicContact CG1-CD1 4.18Å; V217-L221 WeakPolarHBondContact O-CG 3.29Å; V217-L221 PolarHBondContact O-N 3.45Å; A218-L221 PolarHBondContact O-N 2.9Å; V219-L221 PolarHBondContact O-N 2.65Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3Å; L221-F224 PolarHBondContact O-N 2.95Å; L221-W225 WeakPolarHBondContact O-CB 3.27Å; L221-W225 PolarHBondContact O-N 3.08Å
222I94.2Very high91.2Very high114 Ų114118.9 Ų118.959%0.58558%0.576SS**Hα-helixtrans-63.2-41.7176.3-69.5164.7000110.5A218 V219 W225 G226A218-I222 VanDerWaalsContact O-CG1 3.3Å; A218-I222 WeakPolarHBondContact O-CG1 3.46Å; A218-I222 PolarHBondContact O-N 3.26Å; V219-I222 PolarHBondContact O-N 2.87Å; I222-W225 PolarHBondContact O-N 3.2Å; I222-G226 PolarHBondContact O-N 3.41Å
223L94.2Very high91.4Very high110 Ų110118.9 Ų118.958%0.57657%0.574SS**Hα-helixtrans-63.3-45.7175.3-70.6174.8000111.7V219 T220 L221 W225 G226 I227V219-L223 HydrophobicContact CG1-CD1 4.42Å; V219-L223 WeakPolarHBondContact O-CG 3.3Å; V219-L223 PolarHBondContact O-N 3.35Å; T220-L223 PolarHBondContact O-N 3.01Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3Å; L223-W225 VanDerWaalsContact C-N 3.35Å; L223-W225 PolarHBondContact O-N 3.19Å; L223-G226 PolarHBondContact O-N 2.95Å; L223-I227 VanDerWaalsContact O-CG1 3.27Å; L223-I227 WeakPolarHBondContact O-CG1 3.33Å; L223-I227 PolarHBondContact O-N 3.44Å
224F94Very high91.4Very high146 Ų146118.2 Ų118.264%0.6457%0.574SS**Hα-helixtrans-60.3-43.4175.6-80.2-61.3000112.4T220 L221 I227 W228T220-F224 WeakPolarHBondContact O-CD2 3.47Å; T220-F224 PolarHBondContact O-N 3.49Å; L221-F224 PolarHBondContact O-N 2.95Å; F224-I227 PolarHBondContact O-N 3.43Å; F224-W228 WeakPolarHBondContact O-CB 3.4Å; F224-W228 PolarHBondContact O-N 2.86Å
225W93.7Very high91.2Very high148 Ų148114.8 Ų114.856%0.56157%0.568SS**Hα-helixtrans-65-40.4177-174.979.1000112.1L221 I222 L223 W228 R229L221-W225 WeakPolarHBondContact O-CB 3.27Å; L221-W225 PolarHBondContact O-N 3.08Å; I222-W225 PolarHBondContact O-N 3.2Å; L223-W225 VanDerWaalsContact C-N 3.35Å; L223-W225 PolarHBondContact O-N 3.19Å; W225-W228 PolarHBondContact O-N 3.3Å; W225-R229 WeakPolarHBondContact O-CB 3.45Å; W225-R229 PolarHBondContact O-N 3.34Å
226G94Very high91.1Very high35 Ų35116.9 Ų116.936%0.36157%0.573SS.*Hα-helixtrans-62.4-44.4174.900000112.5I222 L223 R229 L230I222-G226 PolarHBondContact O-N 3.41Å; L223-G226 PolarHBondContact O-N 2.95Å; G226-R229 PolarHBondContact O-N 3.22Å; G226-L230 WeakPolarHBondContact O-CB 3.41Å; G226-L230 PolarHBondContact O-N 3.31Å
227I93.3Very high90.9Very high106 Ų106116.9 Ų116.954%0.54457%0.57SS.*Hα-helixtrans-65.5-44.6176.5-66.7162.4000110.6L223 F224 R229 L230 F231L223-I227 VanDerWaalsContact O-CG1 3.27Å; L223-I227 WeakPolarHBondContact O-CG1 3.33Å; L223-I227 PolarHBondContact O-N 3.44Å; F224-I227 PolarHBondContact O-N 3.43Å; I227-R229 VanDerWaalsContact C-N 3.34Å; I227-R229 PolarHBondContact O-N 3.09Å; I227-L230 PolarHBondContact O-N 2.89Å; I227-F231 WeakPolarHBondContact O-CB 3.33Å; I227-F231 PolarHBondContact O-N 2.66Å
228W93.2Very high90.6Very high170 Ų170121.7 Ų121.764%0.64459%0.59SS**Hα-helixtrans-61.5-42.7179.1-174.757.8000111.8F224 W225 L230 F231 H232F224-W228 WeakPolarHBondContact O-CB 3.4Å; F224-W228 PolarHBondContact O-N 2.86Å; W225-W228 PolarHBondContact O-N 3.3Å; W228-L230 VanDerWaalsContact C-N 3.34Å; W228-F231 PolarHBondContact O-N 3.49Å; W228-H232 WeakPolarHBondContact O-CB 3.4Å; W228-H232 PolarHBondContact O-N 2.8Å
229R90.1Very high90.3Very high164 Ų164127.1 Ų127.162%0.61961%0.606SS**Hα-helixtrans-71.5-25.4176-174.9172.5-177.3170.52113.9W225 G226 I227W225-R229 WeakPolarHBondContact O-CB 3.45Å; W225-R229 PolarHBondContact O-N 3.34Å; G226-R229 PolarHBondContact O-N 3.22Å; I227-R229 VanDerWaalsContact C-N 3.34Å; I227-R229 PolarHBondContact O-N 3.09Å
230L86.6Confident89.9Confident156 Ų156131.4 Ų131.482%0.81762%0.619SS**Hα-helixtrans-76.2-32174.8-167.498.3000111.1G226 I227 W228G226-L230 WeakPolarHBondContact O-CB 3.41Å; G226-L230 PolarHBondContact O-N 3.31Å; I227-L230 PolarHBondContact O-N 2.89Å; W228-L230 VanDerWaalsContact C-N 3.34Å
231F80.1Confident89.5Confident192 Ų192137.3 Ų137.384%0.84264%0.639SS**Hα-helixtrans-98.9-9.7-173.7-140.8-96.9000114.3I227 W228I227-F231 WeakPolarHBondContact O-CB 3.33Å; I227-F231 PolarHBondContact O-N 2.66Å; W228-F231 PolarHBondContact O-N 3.49Å
232H66.3Low89.1Confident197 Ų197139.8 Ų139.891%0.91265%0.645SS**  trans-124.20174.5-16576.5000110.7W228W228-H232 WeakPolarHBondContact O-CB 3.4Å; W228-H232 PolarHBondContact O-N 2.8Å

Retrieved 232 of 232 residues in 137.9 ms (Link to these results)

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