A0A087WST6_MOUSE Loading...

Serine (or cysteine) peptidase inhibitor, clade B (ovalbumin), member 11

AlphaFold DB , UniProt , Accession A0A087WST6, Species MOUSE (Mus musculus, Mouse), Gene Serpinb11, Length 152 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M59.2Low84.9Confident179 Ų17949.7 Ų49.788%0.88227%0.272SS*.  0153.20-72.9-174.3-157.800108.4T5M1-T5 HydrophobicContact CB-CG2 4.45Å; M1-T5 HydrophobicContact CG-CG2 4.27Å; M1-T5 HydrophobicContact SD-CG2 3.55Å; M1-T5 VanDerWaalsContact SD-CG2 3.55Å
2D75.6Confident85.9Confident76 Ų7648.3 Ų48.341%0.40627%0.268SS..  trans-66.2157.1167.166.392.5000110.3I4 T5 T6D2-I4 VanDerWaalsContact C-N 3.26Å; D2-I4 PolarHBondContact O-N 3.29Å; D2-I4 WeakPolarHBondContact OD1-CB 3.45Å; D2-I4 PolarHBondContact OD1-N 3.21Å; D2-I4 VanDerWaalsContact OD1-N 3.14Å; D2-T5 VanDerWaalsContact CG-OG1 3.31Å; D2-T5 PolarHBondContact O-N 2.8Å; D2-T5 PolarHBondContact OD1-N 3.05Å; D2-T5 PolarHBondContact OD1-OG1 2.82Å; D2-T5 VanDerWaalsContact OD2-CB 3.31Å; D2-T5 WeakPolarHBondContact OD2-CB 3.36Å; D2-T5 PolarHBondContact OD2-OG1 3.46Å; D2-T6 PolarHBondContact O-N 3.23Å; D2-T6 PolarHBondContact O-OG1 2.83Å
3P79.1Confident86.8Confident37 Ų3752.8 Ų52.824%0.2429%0.29CS..Hα-helixtrans-56.3-33.2-175.4-29.537.8000115.3A7 F63 M83P3-A7 VanDerWaalsContact O-CB 3.3Å; P3-A7 WeakPolarHBondContact O-CB 3.32Å; P3-A7 PolarHBondContact O-N 3.4Å; P3-F63 HydrophobicContact CB-CD1 3.72Å; P3-F63 HydrophobicContact CB-CD2 4.47Å; P3-F63 HydrophobicContact CB-CE1 3.86Å; P3-F63 HydrophobicContact CB-CG 4.04Å; P3-F63 HydrophobicContact CB-CZ 4.31Å; P3-F63 HydrophobicContact CG-CD1 4.14Å; P3-F63 HydrophobicContact CG-CE1 4.35Å; P3-M83 HydrophobicContact CB-CE 3.41Å; P3-M83 VanDerWaalsContact CB-CE 3.41Å; P3-M83 HydrophobicContact CB-SD 3.74Å
4I79.9Confident87.6Confident7 Ų755 Ų554%0.03630%0.301CS..Hα-helixtrans-74.2-42.9-177.1-69.8168.5000110.8D2 T6 A7 S8 F36 M83 D86 F87D2-I4 VanDerWaalsContact C-N 3.26Å; D2-I4 PolarHBondContact O-N 3.29Å; D2-I4 WeakPolarHBondContact OD1-CB 3.45Å; D2-I4 PolarHBondContact OD1-N 3.21Å; D2-I4 VanDerWaalsContact OD1-N 3.14Å; I4-T6 VanDerWaalsContact C-N 3.28Å; I4-T6 PolarHBondContact O-N 2.84Å; I4-A7 PolarHBondContact O-N 3.34Å; I4-S8 VanDerWaalsContact O-CB 3.26Å; I4-S8 WeakPolarHBondContact O-CB 3.33Å; I4-S8 PolarHBondContact O-N 2.75Å; I4-S8 PolarHBondContact O-OG 3.03Å; I4-F36 HydrophobicContact CG2-CE1 4.35Å; I4-M83 HydrophobicContact CB-SD 4.24Å; I4-M83 HydrophobicContact CD1-CB 4.26Å; I4-M83 WeakPolarHBondContact CD1-O 3.27Å; I4-M83 HydrophobicContact CD1-SD 4.36Å; I4-M83 HydrophobicContact CG1-CB 3.97Å; I4-M83 HydrophobicContact CG1-CG 4.25Å; I4-M83 HydrophobicContact CG1-SD 3.26Å; I4-M83 WeakPolarHBondContact CG1-SD 3.27Å; I4-D86 HydrophobicContact CD1-CB 3.18Å; I4-D86 WeakPolarHBondContact CD1-OD2 3.43Å; I4-F87 HydrophobicContact CG2-CD1 4.48Å; I4-F87 HydrophobicContact CG2-CE1 3.82Å; I4-F87 HydrophobicContact CG2-CZ 4.45Å
5T85.4Confident88.3Confident54 Ų5453.9 Ų53.933%0.33130%0.297SS..Hα-helixtrans-60.8-42175.6-57.50000110.4M1 D2 S8 T9M1-T5 HydrophobicContact CB-CG2 4.45Å; M1-T5 HydrophobicContact CG-CG2 4.27Å; M1-T5 HydrophobicContact SD-CG2 3.55Å; M1-T5 VanDerWaalsContact SD-CG2 3.55Å; D2-T5 VanDerWaalsContact CG-OG1 3.31Å; D2-T5 PolarHBondContact O-N 2.8Å; D2-T5 PolarHBondContact OD1-N 3.05Å; D2-T5 PolarHBondContact OD1-OG1 2.82Å; D2-T5 VanDerWaalsContact OD2-CB 3.31Å; D2-T5 WeakPolarHBondContact OD2-CB 3.36Å; D2-T5 PolarHBondContact OD2-OG1 3.46Å; T5-S8 PolarHBondContact O-OG 2.77Å; T5-S8 VanDerWaalsContact O-OG 3.11Å; T5-T9 VanDerWaalsContact O-CB 3.3Å; T5-T9 WeakPolarHBondContact O-CB 3.35Å; T5-T9 PolarHBondContact O-N 3.48Å; T5-T9 PolarHBondContact O-OG1 3.25Å
6T88.9Confident88.8Confident36 Ų3656.7 Ų56.722%0.22131%0.305CS..Hα-helixtrans-62.7-54.6175.2-56.10000111.5D2 I4 S8 T9 E10 F63D2-T6 PolarHBondContact O-N 3.23Å; D2-T6 PolarHBondContact O-OG1 2.83Å; I4-T6 VanDerWaalsContact C-N 3.28Å; I4-T6 PolarHBondContact O-N 2.84Å; T6-S8 PolarHBondContact O-N 3.43Å; T6-T9 PolarHBondContact O-N 2.88Å; T6-T9 VanDerWaalsContact O-N 3.11Å; T6-E10 HydrophobicContact CG2-CG 4.45Å; T6-E10 WeakPolarHBondContact O-CG 3.34Å; T6-E10 PolarHBondContact O-N 3.02Å; T6-F63 HydrophobicContact CG2-CZ 3.94Å
7A89.6Confident89.3Confident0 Ų061.9 Ų61.90%032%0.324CS..Hα-helixtrans-60.5-41.7-177.400000112.8P3 I4 T9 E10 F11 F36 H59 F63 M83P3-A7 VanDerWaalsContact O-CB 3.3Å; P3-A7 WeakPolarHBondContact O-CB 3.32Å; P3-A7 PolarHBondContact O-N 3.4Å; I4-A7 PolarHBondContact O-N 3.34Å; A7-T9 VanDerWaalsContact C-N 3.34Å; A7-T9 PolarHBondContact O-N 3.43Å; A7-E10 PolarHBondContact O-N 3.45Å; A7-F11 VanDerWaalsContact O-CB 3.29Å; A7-F11 WeakPolarHBondContact O-CB 3.38Å; A7-F11 PolarHBondContact O-N 3.31Å; A7-F36 HydrophobicContact CB-CZ 4.08Å; A7-H59 HydrophobicContact CB-CB 4.14Å; A7-F63 HydrophobicContact CB-CE2 4.16Å; A7-M83 HydrophobicContact CB-CE 4.29Å
8S91Very high89.7Confident22 Ų2265 Ų6515%0.15434%0.337CS..Hα-helixtrans-68.1-32.4176.761.40000113I4 T5 T6 C12I4-S8 VanDerWaalsContact O-CB 3.26Å; I4-S8 WeakPolarHBondContact O-CB 3.33Å; I4-S8 PolarHBondContact O-N 2.75Å; I4-S8 PolarHBondContact O-OG 3.03Å; T5-S8 PolarHBondContact O-OG 2.77Å; T5-S8 VanDerWaalsContact O-OG 3.11Å; T6-S8 PolarHBondContact O-N 3.43Å; S8-C12 VanDerWaalsContact O-CB 3.24Å; S8-C12 WeakPolarHBondContact O-CB 3.25Å; S8-C12 PolarHBondContact O-N 3.08Å
9T94.1Very high90.1Very high59 Ų5964.7 Ų64.736%0.36234%0.335SS..Hα-helixtrans-71-45.4174.9-59.10000111.1T5 T6 A7 C12 L13T5-T9 VanDerWaalsContact O-CB 3.3Å; T5-T9 WeakPolarHBondContact O-CB 3.35Å; T5-T9 PolarHBondContact O-N 3.48Å; T5-T9 PolarHBondContact O-OG1 3.25Å; T6-T9 PolarHBondContact O-N 2.88Å; T6-T9 VanDerWaalsContact O-N 3.11Å; A7-T9 VanDerWaalsContact C-N 3.34Å; A7-T9 PolarHBondContact O-N 3.43Å; T9-C12 WeakPolarHBondContact O-CB 3.24Å; T9-C12 PolarHBondContact O-N 3.49Å; T9-L13 HydrophobicContact CG2-CD1 4.29Å; T9-L13 WeakPolarHBondContact O-CG 3.34Å; T9-L13 PolarHBondContact O-N 2.97Å
10E95.4Very high90.4Very high71 Ų7163.5 Ų63.533%0.33233%0.333SS..Hα-helixtrans-61.8-46.9176.8-70.9175.9169.600110.9T6 A7 C12 L13 D14 H59T6-E10 HydrophobicContact CG2-CG 4.45Å; T6-E10 WeakPolarHBondContact O-CG 3.34Å; T6-E10 PolarHBondContact O-N 3.02Å; A7-E10 PolarHBondContact O-N 3.45Å; E10-C12 VanDerWaalsContact C-N 3.33Å; E10-C12 PolarHBondContact O-N 3.43Å; E10-L13 PolarHBondContact O-N 3.39Å; E10-D14 PolarHBondContact O-N 3.48Å; E10-H59 HydrophobicContact CB-CB 4.46Å; E10-H59 IonicContact OE2-CG 2.81Å; E10-H59 IonicContact OE2-ND1 3.34Å
11F95.8Very high90.7Very high6 Ų664 Ų643%0.02634%0.342CS..Hα-helixtrans-56.1-44.9172.5171.3-100.5000112.5A7 L13 D14 V15 T35 F36 L39 V57 L58 H59A7-F11 VanDerWaalsContact O-CB 3.29Å; A7-F11 WeakPolarHBondContact O-CB 3.38Å; A7-F11 PolarHBondContact O-N 3.31Å; F11-L13 PolarHBondContact O-N 2.99Å; F11-D14 PolarHBondContact O-N 3.22Å; F11-V15 HydrophobicContact CD1-CG2 4.44Å; F11-V15 HydrophobicContact CD2-CG2 4.12Å; F11-V15 HydrophobicContact CE1-CG2 4Å; F11-V15 HydrophobicContact CE2-CG2 3.65Å; F11-V15 HydrophobicContact CZ-CG2 3.58Å; F11-V15 WeakPolarHBondContact O-CG2 3.3Å; F11-V15 PolarHBondContact O-N 3.37Å; F11-T35 HydrophobicContact CE1-CG2 4.18Å; F11-T35 HydrophobicContact CZ-CG2 3.87Å; F11-F36 HydrophobicContact CB-CD2 3.98Å; F11-F36 HydrophobicContact CB-CE2 4.14Å; F11-F36 HydrophobicContact CD1-CB 4.04Å; F11-F36 AromaticContact CD1-CD2 3.7Å; F11-F36 HydrophobicContact CD1-CD2 3.7Å; F11-F36 HydrophobicContact CD1-CG 4.34Å; F11-F36 HydrophobicContact CE1-CB 4.09Å; F11-F36 HydrophobicContact CE1-CD2 4.35Å; F11-F36 AromaticContact CG-CD2 3.81Å; F11-F36 HydrophobicContact CG-CD2 3.81Å; F11-F36 HydrophobicContact CG-CE2 4.41Å; F11-L39 HydrophobicContact CE2-CD1 3.89Å; F11-L39 HydrophobicContact CZ-CD1 3.76Å; F11-V57 HydrophobicContact CD2-CG1 4.26Å; F11-V57 HydrophobicContact CE2-CG1 4.15Å; F11-L58 HydrophobicContact CD2-CD2 4.19Å; F11-L58 HydrophobicContact CE2-CD2 4.28Å; F11-H59 PolarHBondContact N-CD2 2.9Å
12C97.3Very high92.4Very high33 Ų3360.6 Ų60.622%0.22333%0.327CS..Hα-helixtrans-58.1-48177.4175.10000111.9S8 T9 E10 V15 F16 P32S8-C12 VanDerWaalsContact O-CB 3.24Å; S8-C12 WeakPolarHBondContact O-CB 3.25Å; S8-C12 PolarHBondContact O-N 3.08Å; T9-C12 WeakPolarHBondContact O-CB 3.24Å; T9-C12 PolarHBondContact O-N 3.49Å; E10-C12 VanDerWaalsContact C-N 3.33Å; E10-C12 PolarHBondContact O-N 3.43Å; C12-V15 PolarHBondContact O-N 3.42Å; C12-F16 VanDerWaalsContact O-CB 3.32Å; C12-F16 WeakPolarHBondContact O-CB 3.34Å; C12-F16 PolarHBondContact O-N 2.87Å; C12-P32 HydrophobicContact CB-CB 3.61Å; C12-P32 HydrophobicContact CB-CG 3.96Å; C12-P32 WeakPolarHBondContact SG-CG 3.42Å
13L97.6Very high93.3Very high106 Ų10659.6 Ų59.656%0.55532%0.322SS*.Hα-helixtrans-64.6-41-179-68.6174.2000111.4T9 E10 F11 F16 K17T9-L13 HydrophobicContact CG2-CD1 4.29Å; T9-L13 WeakPolarHBondContact O-CG 3.34Å; T9-L13 PolarHBondContact O-N 2.97Å; E10-L13 PolarHBondContact O-N 3.39Å; F11-L13 PolarHBondContact O-N 2.99Å; L13-F16 PolarHBondContact O-N 2.94Å; L13-K17 WeakPolarHBondContact O-CB 3.41Å; L13-K17 PolarHBondContact O-N 3.47Å
14D97.6Very high94.1Very high84 Ų8463.9 Ų63.945%0.44935%0.347SS..Hα-helixtrans-63.7-47.2176.6-73-17.8000111.8E10 F11 F16 K17 E18 H59E10-D14 PolarHBondContact O-N 3.48Å; F11-D14 PolarHBondContact O-N 3.22Å; D14-F16 PolarHBondContact O-N 3.4Å; D14-K17 PolarHBondContact O-N 2.92Å; D14-E18 PolarHBondContact O-N 3.19Å; D14-H59 IonicContact OD2-CD2 3.09Å; D14-H59 IonicContact OD2-CE1 2.98Å; D14-H59 PolarHBondContact OD2-CE1 2.98Å; D14-H59 IonicContact OD2-NE2 2.72Å; D14-H59 PolarHBondContact OD2-NE2 3.2Å
15V97.4Very high94.8Very high39 Ų3967.6 Ų67.624%0.23639%0.387CS..Hα-helixtrans-62.4-43.9176.41720000111.1F11 C12 K17 E18 L19 F30F11-V15 HydrophobicContact CD1-CG2 4.44Å; F11-V15 HydrophobicContact CD2-CG2 4.12Å; F11-V15 HydrophobicContact CE1-CG2 4Å; F11-V15 HydrophobicContact CE2-CG2 3.65Å; F11-V15 HydrophobicContact CZ-CG2 3.58Å; F11-V15 WeakPolarHBondContact O-CG2 3.3Å; F11-V15 PolarHBondContact O-N 3.37Å; C12-V15 PolarHBondContact O-N 3.42Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 3.23Å; V15-E18 PolarHBondContact O-N 2.81Å; V15-L19 HydrophobicContact CG1-CD1 3.87Å; V15-L19 HydrophobicContact CG1-CG 4.24Å; V15-L19 WeakPolarHBondContact O-CG 3.22Å; V15-L19 PolarHBondContact O-N 3.21Å; V15-F30 HydrophobicContact CB-CE2 4.2Å; V15-F30 HydrophobicContact CB-CZ 4.32Å; V15-F30 HydrophobicContact CG1-CD2 4.27Å; V15-F30 HydrophobicContact CG1-CE2 3.71Å; V15-F30 HydrophobicContact CG1-CZ 3.98Å
16F97.4Very high95.4Very high98 Ų9871.3 Ų71.343%0.4340%0.401SS..Hα-helixtrans-63.4-39.3178.2179.3-104.6000112C12 L13 D14 E18 L19 S20 I28 F30C12-F16 VanDerWaalsContact O-CB 3.32Å; C12-F16 WeakPolarHBondContact O-CB 3.34Å; C12-F16 PolarHBondContact O-N 2.87Å; L13-F16 PolarHBondContact O-N 2.94Å; D14-F16 PolarHBondContact O-N 3.4Å; F16-E18 VanDerWaalsContact C-N 3.34Å; F16-L19 PolarHBondContact O-N 2.8Å; F16-S20 VanDerWaalsContact O-CB 3.27Å; F16-S20 WeakPolarHBondContact O-CB 3.26Å; F16-S20 PolarHBondContact O-N 3.49Å; F16-S20 PolarHBondContact O-OG 3.44Å; F16-I28 HydrophobicContact CD2-CG2 3.94Å; F16-I28 HydrophobicContact CE2-CB 4.16Å; F16-I28 HydrophobicContact CE2-CD1 4.31Å; F16-I28 HydrophobicContact CE2-CG2 3.96Å; F16-F30 HydrophobicContact CB-CE1 4.11Å; F16-F30 HydrophobicContact CB-CZ 4.15Å; F16-F30 HydrophobicContact CD2-CE1 4.1Å
17K97.3Very high95.8Very high145 Ų14577.8 Ų77.863%0.6343%0.434SS*.Hα-helixtrans-62.7-41.5175.1-172.9178.5177.5-176.20111.8L13 D14 V15 S20 S21L13-K17 WeakPolarHBondContact O-CB 3.41Å; L13-K17 PolarHBondContact O-N 3.47Å; D14-K17 PolarHBondContact O-N 2.92Å; V15-K17 VanDerWaalsContact C-N 3.33Å; V15-K17 PolarHBondContact O-N 3.23Å; K17-S20 WeakPolarHBondContact CA-OG 3.31Å; K17-S20 PolarHBondContact O-OG 2.72Å; K17-S21 WeakPolarHBondContact O-CB 3.29Å; K17-S21 PolarHBondContact O-N 3.41Å; K17-S21 VanDerWaalsContact O-N 3.08Å; K17-S21 PolarHBondContact O-OG 3.33Å
18E96.9Very high96.1Very high118 Ų11880.1 Ų80.155%0.55145%0.446SS*.Hα-helixtrans-66.6-46.1176.4-17258-143.600111.4D14 V15 F16 S20 S21 N22D14-E18 PolarHBondContact O-N 3.19Å; V15-E18 PolarHBondContact O-N 2.81Å; F16-E18 VanDerWaalsContact C-N 3.34Å; E18-S20 PolarHBondContact O-N 3.26Å; E18-S21 PolarHBondContact O-N 2.87Å; E18-N22 PolarHBondContact O-N 2.78Å; E18-N22 PolarHBondContact O-ND2 2.97Å; E18-N22 PolarHBondContact OE1-ND2 2.72Å
19L96.8Very high96.3Very high59 Ų5988.7 Ų88.731%0.30948%0.481SS..Hα-helixtrans-62.6-44.1177.1-69.6174.8000111.7V15 F16 S21 N22 N23 I28 F30V15-L19 HydrophobicContact CG1-CD1 3.87Å; V15-L19 HydrophobicContact CG1-CG 4.24Å; V15-L19 WeakPolarHBondContact O-CG 3.22Å; V15-L19 PolarHBondContact O-N 3.21Å; F16-L19 PolarHBondContact O-N 2.8Å; L19-S21 VanDerWaalsContact C-N 3.35Å; L19-S21 PolarHBondContact O-N 3.05Å; L19-N22 PolarHBondContact O-N 3.37Å; L19-N23 WeakPolarHBondContact O-CB 3.5Å; L19-N23 PolarHBondContact O-N 3.06Å; L19-N23 PolarHBondContact O-ND2 3.49Å; L19-I28 HydrophobicContact CB-CD1 4.27Å; L19-I28 HydrophobicContact CB-CG2 4.21Å; L19-I28 HydrophobicContact CD1-CG2 4.14Å; L19-F30 HydrophobicContact CD1-CD1 3.95Å; L19-F30 HydrophobicContact CD1-CE1 4.19Å; L19-F30 HydrophobicContact CD1-CG 4.27Å
20S96.4Very high96.4Very high40 Ų4088.3 Ų88.328%0.2847%0.474SS..Hα-helixtrans-66-35.1-179.754.90000113.4F16 K17 E18 N22 I28F16-S20 VanDerWaalsContact O-CB 3.27Å; F16-S20 WeakPolarHBondContact O-CB 3.26Å; F16-S20 PolarHBondContact O-N 3.49Å; F16-S20 PolarHBondContact O-OG 3.44Å; K17-S20 WeakPolarHBondContact CA-OG 3.31Å; K17-S20 PolarHBondContact O-OG 2.72Å; E18-S20 PolarHBondContact O-N 3.26Å; S20-N22 VanDerWaalsContact C-N 3.25Å; S20-N22 PolarHBondContact O-N 3.11Å; S20-I28 VanDerWaalsContact CA-CD1 3.4Å
21S96.3Very high96.4Very high75 Ų7587.4 Ų87.452%0.52448%0.476SS..Hα-helixtrans-66.9-29.7176.5-57.40000112.3K17 E18 L19K17-S21 WeakPolarHBondContact O-CB 3.29Å; K17-S21 PolarHBondContact O-N 3.41Å; K17-S21 VanDerWaalsContact O-N 3.08Å; K17-S21 PolarHBondContact O-OG 3.33Å; E18-S21 PolarHBondContact O-N 2.87Å; L19-S21 VanDerWaalsContact C-N 3.35Å; L19-S21 PolarHBondContact O-N 3.05Å
22N94.8Very high96.3Very high107 Ų10788.8 Ų88.857%0.57249%0.486SS*.Hα-helixtrans-94.4-12.6-178.2-68.2-54.2000114.4E18 L19 S20E18-N22 PolarHBondContact O-N 2.78Å; E18-N22 PolarHBondContact O-ND2 2.97Å; E18-N22 PolarHBondContact OE1-ND2 2.72Å; L19-N22 PolarHBondContact O-N 3.37Å; S20-N22 VanDerWaalsContact C-N 3.25Å; S20-N22 PolarHBondContact O-N 3.11Å
23N94.7Very high96Very high56 Ų5689.9 Ų89.930%0.29949%0.489SS..SBendtrans-13253.9-173.7-58.3-87.3000111.3L19 G25 E26 I28L19-N23 WeakPolarHBondContact O-CB 3.5Å; L19-N23 PolarHBondContact O-N 3.06Å; L19-N23 PolarHBondContact O-ND2 3.49Å; N23-G25 PolarHBondContact O-N 3.11Å; N23-E26 HydrophobicContact CB-CB 4.23Å; N23-E26 PolarHBondContact O-N 3.37Å; N23-I28 HydrophobicContact CB-CD1 4.47Å
24V95.3Very high95.7Very high127 Ų12788.6 Ų88.677%0.7749%0.485SS*.THydrogen-bonded Turntrans-64.4122.8-174.8-179.20000111.1E26V24-E26 VanDerWaalsContact C-N 3.32Å
25G94.8Very high95.6Very high85 Ų8587.4 Ų87.488%0.87648%0.481SS*.THydrogen-bonded Turntrans84.23179.100000114.6N23N23-G25 PolarHBondContact O-N 3.11Å
26E97.4Very high95.3Very high132 Ų13285.6 Ų85.662%0.61747%0.47SS*.SBendtrans-101.2160.5176.7-61.6-172.9-137.400112.2N23 V24N23-E26 HydrophobicContact CB-CB 4.23Å; N23-E26 PolarHBondContact O-N 3.37Å; V24-E26 VanDerWaalsContact C-N 3.32Å
27N97.3Very high95Very high171 Ų17181 Ų8191%0.91445%0.45SS*.  trans-75.7131.6173.5-69.8-36.8000110.2
28I97.2Very high94.8Very high50 Ų5076.5 Ų76.526%0.25644%0.44SS..  trans-113.9124.9176.8-63.6169.4000109.1F16 L19 S20 N23 F30F16-I28 HydrophobicContact CD2-CG2 3.94Å; F16-I28 HydrophobicContact CE2-CB 4.16Å; F16-I28 HydrophobicContact CE2-CD1 4.31Å; F16-I28 HydrophobicContact CE2-CG2 3.96Å; L19-I28 HydrophobicContact CB-CD1 4.27Å; L19-I28 HydrophobicContact CB-CG2 4.21Å; L19-I28 HydrophobicContact CD1-CG2 4.14Å; S20-I28 VanDerWaalsContact CA-CD1 3.4Å; N23-I28 HydrophobicContact CB-CD1 4.47Å; I28-F30 HydrophobicContact CG2-CD1 4.21Å
29F95.8Very high94.7Very high201 Ų20173.5 Ų73.588%0.88243%0.427SS*.  trans-142.6126.9176.1-178.8-99.8000110.1
30F95.8Very high94.5Very high51 Ų5170.7 Ų70.722%0.22441%0.413CS..  trans-155.8165.1175.371.6-72.7000110.3V15 F16 L19 I28 P32V15-F30 HydrophobicContact CB-CE2 4.2Å; V15-F30 HydrophobicContact CB-CZ 4.32Å; V15-F30 HydrophobicContact CG1-CD2 4.27Å; V15-F30 HydrophobicContact CG1-CE2 3.71Å; V15-F30 HydrophobicContact CG1-CZ 3.98Å; F16-F30 HydrophobicContact CB-CE1 4.11Å; F16-F30 HydrophobicContact CB-CZ 4.15Å; F16-F30 HydrophobicContact CD2-CE1 4.1Å; L19-F30 HydrophobicContact CD1-CD1 3.95Å; L19-F30 HydrophobicContact CD1-CE1 4.19Å; L19-F30 HydrophobicContact CD1-CG 4.27Å; I28-F30 HydrophobicContact CG2-CD1 4.21Å; F30-P32 HydrophobicContact CD2-CB 4.48Å; F30-P32 HydrophobicContact CD2-CG 4.12Å; F30-P32 HydrophobicContact CE2-CB 3.86Å; F30-P32 HydrophobicContact CE2-CG 3.6Å; F30-P32 HydrophobicContact CZ-CG 3.94Å; F30-P32 WeakPolarHBondContact O-CD 3.33Å
31S95.1Very high94.3Very high53 Ų5369.6 Ų69.637%0.37140%0.403SS..  trans-100.8106170.4175.10000109.5L33 T34 T35S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.85Å; S31-T34 WeakPolarHBondContact OG-CB 3.49Å; S31-T34 PolarHBondContact OG-N 3.38Å; S31-T34 PolarHBondContact OG-OG1 3.45Å; S31-T35 PolarHBondContact O-N 3.41Å; S31-T35 PolarHBondContact O-OG1 2.93Å; S31-T35 VanDerWaalsContact O-OG1 3.05Å
32P93.4Very high94.1Very high35 Ų3570.2 Ų70.223%0.22740%0.401CS..Hα-helixtrans-63-42.3177.1-16.927.7000111.2C12 F30 T34 T35 F36C12-P32 HydrophobicContact CB-CB 3.61Å; C12-P32 HydrophobicContact CB-CG 3.96Å; C12-P32 WeakPolarHBondContact SG-CG 3.42Å; F30-P32 HydrophobicContact CD2-CB 4.48Å; F30-P32 HydrophobicContact CD2-CG 4.12Å; F30-P32 HydrophobicContact CE2-CB 3.86Å; F30-P32 HydrophobicContact CE2-CG 3.6Å; F30-P32 HydrophobicContact CZ-CG 3.94Å; F30-P32 WeakPolarHBondContact O-CD 3.33Å; P32-T34 PolarHBondContact O-N 3.19Å; P32-T35 PolarHBondContact O-N 3.48Å; P32-F36 VanDerWaalsContact O-CB 3.22Å; P32-F36 WeakPolarHBondContact O-CB 3.46Å; P32-F36 PolarHBondContact O-N 3.08Å
33L90.4Very high93.9Very high56 Ų5665.4 Ų65.429%0.29338%0.375SS..Hα-helixtrans-62-44.4-176.7-173.364.4000112.2S31 F36 Y37 L90 I94S31-L33 VanDerWaalsContact C-N 3.32Å; S31-L33 PolarHBondContact O-N 2.85Å; L33-F36 PolarHBondContact O-N 3.43Å; L33-Y37 HydrophobicContact CD1-CD1 4.12Å; L33-Y37 HydrophobicContact CD1-CE1 3.42Å; L33-Y37 VanDerWaalsContact CD1-CE1 3.42Å; L33-Y37 HydrophobicContact CD1-CE2 4.29Å; L33-Y37 HydrophobicContact CD2-CE2 4.29Å; L33-Y37 HydrophobicContact CG-CD2 4.46Å; L33-Y37 HydrophobicContact CG-CE1 3.99Å; L33-Y37 HydrophobicContact CG-CE2 3.98Å; L33-Y37 WeakPolarHBondContact O-CB 3.24Å; L33-Y37 PolarHBondContact O-N 3.31Å; L33-L90 HydrophobicContact CD1-CD2 4.38Å; L33-I94 HydrophobicContact CD2-CD1 4.05Å
34T92.3Very high93.6Very high78 Ų7863 Ų6348%0.47936%0.362SS..Hα-helixtrans-64.8-42.9179.7-53.60000111.4S31 P32 Y37 A38S31-T34 WeakPolarHBondContact OG-CB 3.49Å; S31-T34 PolarHBondContact OG-N 3.38Å; S31-T34 PolarHBondContact OG-OG1 3.45Å; P32-T34 PolarHBondContact O-N 3.19Å; T34-Y37 PolarHBondContact O-N 3.44Å; T34-A38 PolarHBondContact O-N 3.39Å
35T94.3Very high93.3Very high60 Ų6059 Ų5937%0.36835%0.347SS..Hα-helixtrans-65.4-44.3177.9-51.20000110.8F11 S31 P32 Y37 A38 L39F11-T35 HydrophobicContact CE1-CG2 4.18Å; F11-T35 HydrophobicContact CZ-CG2 3.87Å; S31-T35 PolarHBondContact O-N 3.41Å; S31-T35 PolarHBondContact O-OG1 2.93Å; S31-T35 VanDerWaalsContact O-OG1 3.05Å; P32-T35 PolarHBondContact O-N 3.48Å; T35-Y37 PolarHBondContact O-N 3.16Å; T35-A38 PolarHBondContact O-N 3.45Å; T35-L39 HydrophobicContact CG2-CD1 4.16Å; T35-L39 WeakPolarHBondContact O-CG 3.3Å; T35-L39 PolarHBondContact O-N 2.97Å
36F92.6Very high93Very high0 Ų056 Ų560%031%0.311CS..Hα-helixtrans-60.4-42.7176.8-171.3-104.6000111.8I4 A7 F11 P32 L33 S40 L58 Y60 F87I4-F36 HydrophobicContact CG2-CE1 4.35Å; A7-F36 HydrophobicContact CB-CZ 4.08Å; F11-F36 HydrophobicContact CB-CD2 3.98Å; F11-F36 HydrophobicContact CB-CE2 4.14Å; F11-F36 HydrophobicContact CD1-CB 4.04Å; F11-F36 AromaticContact CD1-CD2 3.7Å; F11-F36 HydrophobicContact CD1-CD2 3.7Å; F11-F36 HydrophobicContact CD1-CG 4.34Å; F11-F36 HydrophobicContact CE1-CB 4.09Å; F11-F36 HydrophobicContact CE1-CD2 4.35Å; F11-F36 AromaticContact CG-CD2 3.81Å; F11-F36 HydrophobicContact CG-CD2 3.81Å; F11-F36 HydrophobicContact CG-CE2 4.41Å; P32-F36 VanDerWaalsContact O-CB 3.22Å; P32-F36 WeakPolarHBondContact O-CB 3.46Å; P32-F36 PolarHBondContact O-N 3.08Å; L33-F36 PolarHBondContact O-N 3.43Å; F36-S40 WeakPolarHBondContact O-CB 3.45Å; F36-S40 PolarHBondContact O-N 3.49Å; F36-S40 PolarHBondContact O-OG 2.89Å; F36-L58 HydrophobicContact CD2-CD2 3.55Å; F36-L58 HydrophobicContact CE2-CB 4.18Å; F36-L58 HydrophobicContact CE2-CD2 3.77Å; F36-L58 HydrophobicContact CG-CD2 4.45Å; F36-Y60 HydrophobicContact CE1-CE1 4.49Å; F36-Y60 HydrophobicContact CE2-CE1 4.33Å; F36-Y60 AromaticContact CZ-CE1 3.74Å; F36-Y60 HydrophobicContact CZ-CE1 3.74Å; F36-F87 AromaticContact CD1-CE1 3.99Å; F36-F87 HydrophobicContact CD1-CE1 3.99Å; F36-F87 AromaticContact CD1-CZ 3.87Å; F36-F87 HydrophobicContact CD1-CZ 3.87Å; F36-F87 AromaticContact CE1-CE1 3.84Å; F36-F87 HydrophobicContact CE1-CE1 3.84Å; F36-F87 AromaticContact CE1-CZ 3.54Å; F36-F87 HydrophobicContact CE1-CZ 3.54Å
37Y91.2Very high92.5Very high1 Ų157.5 Ų57.50%0.00431%0.311CS..Hα-helixtrans-62.7-46.7174.4-74.8-4.3000112.6L33 T34 T35 L39 S40 M41 F87 L90 I91 V102L33-Y37 HydrophobicContact CD1-CD1 4.12Å; L33-Y37 HydrophobicContact CD1-CE1 3.42Å; L33-Y37 VanDerWaalsContact CD1-CE1 3.42Å; L33-Y37 HydrophobicContact CD1-CE2 4.29Å; L33-Y37 HydrophobicContact CD2-CE2 4.29Å; L33-Y37 HydrophobicContact CG-CD2 4.46Å; L33-Y37 HydrophobicContact CG-CE1 3.99Å; L33-Y37 HydrophobicContact CG-CE2 3.98Å; L33-Y37 WeakPolarHBondContact O-CB 3.24Å; L33-Y37 PolarHBondContact O-N 3.31Å; T34-Y37 PolarHBondContact O-N 3.44Å; T35-Y37 PolarHBondContact O-N 3.16Å; Y37-L39 VanDerWaalsContact C-N 3.34Å; Y37-L39 PolarHBondContact O-N 3.36Å; Y37-S40 PolarHBondContact O-N 3.1Å; Y37-M41 WeakPolarHBondContact O-CG 3.42Å; Y37-M41 PolarHBondContact O-N 3.46Å; Y37-F87 AromaticContact CD1-CD1 3.61Å; Y37-F87 HydrophobicContact CD1-CD1 3.61Å; Y37-F87 AromaticContact CD1-CE1 3.52Å; Y37-F87 HydrophobicContact CD1-CE1 3.52Å; Y37-F87 HydrophobicContact CD1-CG 4.33Å; Y37-F87 HydrophobicContact CD1-CZ 4.17Å; Y37-F87 AromaticContact CE1-CD1 3.12Å; Y37-F87 HydrophobicContact CE1-CD1 3.12Å; Y37-F87 AromaticContact CE1-CE1 3.28Å; Y37-F87 HydrophobicContact CE1-CE1 3.28Å; Y37-F87 HydrophobicContact CE1-CG 4.1Å; Y37-F87 HydrophobicContact CE1-CZ 4.34Å; Y37-F87 AromaticContact CZ-CD1 3.99Å; Y37-L90 HydrophobicContact CE1-CD2 4.47Å; Y37-L90 WeakPolarHBondContact OH-CD2 3.47Å; Y37-L90 WeakPolarHBondContact OH-CG 3.4Å; Y37-I91 HydrophobicContact CE2-CD1 4.23Å; Y37-I91 HydrophobicContact CE2-CG1 3.77Å; Y37-V102 HydrophobicContact CD2-CG1 4.11Å; Y37-V102 HydrophobicContact CE2-CG1 4.03Å
38A93.3Very high92.1Very high51 Ų5151.7 Ų51.742%0.42129%0.291SS..Hα-helixtrans-60-45.2179.800000111.9T34 T35 M41 L42T34-A38 PolarHBondContact O-N 3.39Å; T35-A38 PolarHBondContact O-N 3.45Å; A38-M41 WeakPolarHBondContact O-CB 3.37Å; A38-M41 PolarHBondContact O-N 2.86Å; A38-L42 PolarHBondContact O-N 3.39Å
39L94.2Very high91.9Very high55 Ų5557.2 Ų57.229%0.28831%0.314SS..Hα-helixtrans-69.3-37.3176.9-67.3176000112.2F11 T35 Y37 M41 L42 L43 M54 L58F11-L39 HydrophobicContact CE2-CD1 3.89Å; F11-L39 HydrophobicContact CZ-CD1 3.76Å; T35-L39 HydrophobicContact CG2-CD1 4.16Å; T35-L39 WeakPolarHBondContact O-CG 3.3Å; T35-L39 PolarHBondContact O-N 2.97Å; Y37-L39 VanDerWaalsContact C-N 3.34Å; Y37-L39 PolarHBondContact O-N 3.36Å; L39-M41 VanDerWaalsContact C-N 3.32Å; L39-M41 PolarHBondContact O-N 3.49Å; L39-L42 PolarHBondContact O-N 3.01Å; L39-L43 WeakPolarHBondContact O-CB 3.24Å; L39-L43 PolarHBondContact O-N 3.49Å; L39-M54 HydrophobicContact CB-CE 4.2Å; L39-M54 HydrophobicContact CD2-CE 4.25Å; L39-M54 WeakPolarHBondContact O-CE 3.13Å; L39-L58 HydrophobicContact CB-CD1 4.18Å; L39-L58 HydrophobicContact CB-CD2 3.86Å; L39-L58 HydrophobicContact CD1-CD2 4.2Å
40S91.5Very high91.7Very high0 Ų050.8 Ų50.80%029%0.294CS..Hα-helixtrans-67.9-32.6176-57.20000111.9F36 Y37 L44 Y60 H84 Y126F36-S40 WeakPolarHBondContact O-CB 3.45Å; F36-S40 PolarHBondContact O-N 3.49Å; F36-S40 PolarHBondContact O-OG 2.89Å; Y37-S40 PolarHBondContact O-N 3.1Å; S40-L44 PolarHBondContact O-N 3.45Å; S40-Y60 PolarHBondContact OG-OH 3.41Å; S40-Y60 VanDerWaalsContact OG-OH 3.1Å; S40-H84 PolarHBondContact O-CE1 3.4Å; S40-H84 VanDerWaalsContact O-CE1 3.28Å; S40-Y126 WeakPolarHBondContact CB-OH 3.44Å; S40-Y126 PolarHBondContact O-OH 3.34Å
41M92.1Very high91.4Very high17 Ų1749 Ų498%0.08429%0.288CS..Hα-helixtrans-65.2-43.5169.5-78.1-170.6-67.400111.3Y37 A38 L39 L44 N104 Y126 A128Y37-M41 WeakPolarHBondContact O-CG 3.42Å; Y37-M41 PolarHBondContact O-N 3.46Å; A38-M41 WeakPolarHBondContact O-CB 3.37Å; A38-M41 PolarHBondContact O-N 2.86Å; L39-M41 VanDerWaalsContact C-N 3.32Å; L39-M41 PolarHBondContact O-N 3.49Å; M41-L44 WeakPolarHBondContact O-CB 3.26Å; M41-L44 PolarHBondContact O-N 3.41Å; M41-N104 HydrophobicContact CE-CB 4.08Å; M41-N104 HydrophobicContact SD-CB 4.09Å; M41-Y126 HydrophobicContact CB-CE2 4.46Å; M41-Y126 HydrophobicContact CG-CD1 3.47Å; M41-Y126 VanDerWaalsContact CG-CD1 3.47Å; M41-Y126 HydrophobicContact CG-CD2 3.45Å; M41-Y126 VanDerWaalsContact CG-CD2 3.45Å; M41-Y126 HydrophobicContact CG-CE1 3.7Å; M41-Y126 HydrophobicContact CG-CE2 3.67Å; M41-Y126 HydrophobicContact CG-CG 3.29Å; M41-Y126 PolarHBondContact N-OH 2.91Å; M41-Y126 VanDerWaalsContact SD-CB 3.56Å; M41-Y126 HydrophobicContact SD-CD1 4.12Å; M41-Y126 HydrophobicContact SD-CD2 4.28Å; M41-Y126 HydrophobicContact SD-CG 3.75Å; M41-A128 HydrophobicContact SD-CB 3.62Å
42L92.3Very high91.2Very high89 Ų8952.3 Ų52.347%0.46630%0.298SS..Hα-helixtrans-64.2-42.7177.5176.764.5000111.4A38 L39 L44 G45 T46 M54A38-L42 PolarHBondContact O-N 3.39Å; L39-L42 PolarHBondContact O-N 3.01Å; L42-L44 PolarHBondContact O-N 2.99Å; L42-L44 VanDerWaalsContact O-N 3.12Å; L42-G45 PolarHBondContact O-N 3.36Å; L42-T46 HydrophobicContact CD1-CG2 4.49Å; L42-T46 HydrophobicContact CG-CG2 4.3Å; L42-T46 WeakPolarHBondContact O-CG2 3.4Å; L42-T46 PolarHBondContact O-N 2.94Å; L42-M54 HydrophobicContact CB-CE 3.93Å; L42-M54 HydrophobicContact CD2-CE 3.79Å; L42-M54 HydrophobicContact CD2-SD 4.04Å; L42-M54 HydrophobicContact CG-CE 3.85Å; L42-M54 HydrophobicContact CG-SD 4.04Å
43L90.7Very high91.2Very high5 Ų557.1 Ų57.13%0.02632%0.317CS..Hα-helixtrans-51.6-37.9176.3176.562.9000111.3L39 G45 T46 A51 M54 E55 L58 Y60L39-L43 WeakPolarHBondContact O-CB 3.24Å; L39-L43 PolarHBondContact O-N 3.49Å; L43-G45 PolarHBondContact O-N 3.42Å; L43-G45 VanDerWaalsContact O-N 3.1Å; L43-T46 PolarHBondContact O-N 2.88Å; L43-T46 PolarHBondContact O-OG1 3.47Å; L43-A51 HydrophobicContact CD1-CB 4.17Å; L43-M54 HydrophobicContact CB-CE 4.17Å; L43-M54 HydrophobicContact CD1-CB 3.86Å; L43-E55 HydrophobicContact CD1-CG 3.8Å; L43-E55 HydrophobicContact CD2-CG 3.99Å; L43-L58 HydrophobicContact CB-CD1 4.39Å; L43-L58 HydrophobicContact CD2-CD1 4.11Å; L43-Y60 HydrophobicContact CD2-CD2 3.65Å; L43-Y60 HydrophobicContact CD2-CE2 3.68Å
44L88.1Confident91.3Very high6 Ų656 Ų563%0.03131%0.311CS..Hα-helixtrans-53.9-35.7178.1-71.9-180000113.6S40 M41 L42 R47 V80 H84 Y118 C121 L125 Y126S40-L44 PolarHBondContact O-N 3.45Å; M41-L44 WeakPolarHBondContact O-CB 3.26Å; M41-L44 PolarHBondContact O-N 3.41Å; L42-L44 PolarHBondContact O-N 2.99Å; L42-L44 VanDerWaalsContact O-N 3.12Å; L44-R47 PolarHBondContact O-NH1 3.31Å; L44-V80 HydrophobicContact CB-CG1 4.15Å; L44-V80 HydrophobicContact CD2-CB 3.54Å; L44-V80 HydrophobicContact CD2-CG1 3.4Å; L44-V80 VanDerWaalsContact CD2-CG1 3.4Å; L44-V80 HydrophobicContact CD2-CG2 4.13Å; L44-V80 HydrophobicContact CG-CG1 4.36Å; L44-H84 HydrophobicContact CD2-CB 4.48Å; L44-H84 VanDerWaalsContact CD2-CD2 3.44Å; L44-H84 WeakPolarHBondContact CD2-CD2 3.45Å; L44-H84 WeakPolarHBondContact CD2-NE2 3.39Å; L44-Y118 HydrophobicContact CB-CD2 4.07Å; L44-Y118 HydrophobicContact CB-CE2 3.98Å; L44-C121 HydrophobicContact CD1-CB 4.29Å; L44-L125 HydrophobicContact CD1-CD1 4.22Å; L44-L125 HydrophobicContact CD2-CD1 4.31Å; L44-Y126 HydrophobicContact CD1-CD2 4.13Å; L44-Y126 HydrophobicContact CD1-CE2 3.55Å; L44-Y126 HydrophobicContact CG-CE2 4.19Å
45G88.9Confident91.2Very high44 Ų4455.8 Ų55.845%0.45430%0.304SS..Hα-helixtrans-89.6-10.8-177.600000114.4L42 L43L42-G45 PolarHBondContact O-N 3.36Å; L43-G45 PolarHBondContact O-N 3.42Å; L43-G45 VanDerWaalsContact O-N 3.1Å
46T89.3Confident91.1Very high22 Ų2259.8 Ų59.814%0.13532%0.317CS..  trans-91.6156.4-173.564.70000112.5L42 L43 A51 M54L42-T46 HydrophobicContact CD1-CG2 4.49Å; L42-T46 HydrophobicContact CG-CG2 4.3Å; L42-T46 WeakPolarHBondContact O-CG2 3.4Å; L42-T46 PolarHBondContact O-N 2.94Å; L43-T46 PolarHBondContact O-N 2.88Å; L43-T46 PolarHBondContact O-OG1 3.47Å; T46-A51 WeakPolarHBondContact OG1-CA 3.46Å; T46-A51 WeakPolarHBondContact OG1-CB 3.32Å; T46-M54 HydrophobicContact CG2-SD 3.76Å
47R87.3Confident91.1Very high163 Ų16363.8 Ų63.862%0.61534%0.341SS*.  trans-142.7164178.3-62.9-65-179.2-88.81.3110.3L44L44-R47 PolarHBondContact O-NH1 3.31Å
48G89.1Confident91.2Very high48 Ų4863.8 Ų63.850%0.49534%0.341SS..Hα-helixtrans57.5-141.3177.100000112.5S50 A51 E52G48-S50 PolarHBondContact O-N 2.74Å; G48-S50 VanDerWaalsContact O-N 3.15Å; G48-A51 WeakPolarHBondContact O-CB 3.14Å; G48-A51 PolarHBondContact O-N 3Å; G48-E52 PolarHBondContact O-N 3.45Å
49K92.3Very high91.1Very high166 Ų16662.8 Ų62.872%0.72233%0.328SS*.Hα-helixtrans-55.7-33.9-177.3-66.3-174.7177.9-178.30114.1E52 Q53K49-E52 PolarHBondContact O-N 3.36Å; K49-Q53 WeakPolarHBondContact O-CB 2.98Å; K49-Q53 WeakPolarHBondContact O-CG 3.5Å; K49-Q53 PolarHBondContact O-N 2.96Å
50S92.5Very high90.7Very high67 Ų6760.4 Ų60.447%0.46932%0.315SS..Hα-helixtrans-65.1-42.3177.1-57.90000111.4G48 M54G48-S50 PolarHBondContact O-N 2.74Å; G48-S50 VanDerWaalsContact O-N 3.15Å; S50-M54 VanDerWaalsContact O-CG 3.32Å; S50-M54 WeakPolarHBondContact O-CG 3.45Å; S50-M54 PolarHBondContact O-N 3.03Å
51A89.6Confident90Very high13 Ų1363.6 Ų63.611%0.10733%0.332CS..Hα-helixtrans-64.9-46.4174.600000110.9L43 T46 G48 Q53 M54 E55L43-A51 HydrophobicContact CD1-CB 4.17Å; T46-A51 WeakPolarHBondContact OG1-CA 3.46Å; T46-A51 WeakPolarHBondContact OG1-CB 3.32Å; G48-A51 WeakPolarHBondContact O-CB 3.14Å; G48-A51 PolarHBondContact O-N 3Å; A51-Q53 VanDerWaalsContact C-N 3.35Å; A51-Q53 PolarHBondContact O-N 3.39Å; A51-M54 PolarHBondContact O-N 3.45Å; A51-M54 VanDerWaalsContact O-N 3.15Å; A51-E55 WeakPolarHBondContact O-CB 3.48Å; A51-E55 WeakPolarHBondContact O-CG 3.4Å; A51-E55 PolarHBondContact O-N 2.9Å
52E89.4Confident89.1Confident123 Ų12366.5 Ų66.558%0.57535%0.354SS*.Hα-helixtrans-57.4-44.4179.8-67.8167.3-17000112.6G48 K49 K56G48-E52 PolarHBondContact O-N 3.45Å; K49-E52 PolarHBondContact O-N 3.36Å; E52-K56 WeakPolarHBondContact O-CB 3.5Å; E52-K56 PolarHBondContact O-N 3.05Å; E52-K56 VanDerWaalsContact O-N 3.12Å
53Q93.3Very high88Confident136 Ų13664 Ų6464%0.63634%0.339SS*.Hα-helixtrans-64.7-42.6177.5-74.3177.2-27.300111.9K49 A51 K56 V57K49-Q53 WeakPolarHBondContact O-CB 2.98Å; K49-Q53 WeakPolarHBondContact O-CG 3.5Å; K49-Q53 PolarHBondContact O-N 2.96Å; A51-Q53 VanDerWaalsContact C-N 3.35Å; A51-Q53 PolarHBondContact O-N 3.39Å; Q53-K56 PolarHBondContact O-N 3.27Å; Q53-V57 WeakPolarHBondContact O-CG2 3.26Å; Q53-V57 PolarHBondContact O-N 2.86Å; Q53-V57 VanDerWaalsContact O-N 3.1Å
54M92.6Very high86.7Confident32 Ų3266.7 Ų66.716%0.15836%0.359CS..Hα-helixtrans-68.6-42178.8-72.9-170.271.500112.2L39 L42 L43 T46 S50 A51 K56 V57 L58L39-M54 HydrophobicContact CB-CE 4.2Å; L39-M54 HydrophobicContact CD2-CE 4.25Å; L39-M54 WeakPolarHBondContact O-CE 3.13Å; L42-M54 HydrophobicContact CB-CE 3.93Å; L42-M54 HydrophobicContact CD2-CE 3.79Å; L42-M54 HydrophobicContact CD2-SD 4.04Å; L42-M54 HydrophobicContact CG-CE 3.85Å; L42-M54 HydrophobicContact CG-SD 4.04Å; L43-M54 HydrophobicContact CB-CE 4.17Å; L43-M54 HydrophobicContact CD1-CB 3.86Å; T46-M54 HydrophobicContact CG2-SD 3.76Å; S50-M54 VanDerWaalsContact O-CG 3.32Å; S50-M54 WeakPolarHBondContact O-CG 3.45Å; S50-M54 PolarHBondContact O-N 3.03Å; A51-M54 PolarHBondContact O-N 3.45Å; A51-M54 VanDerWaalsContact O-N 3.15Å; M54-K56 VanDerWaalsContact C-N 3.27Å; M54-K56 PolarHBondContact O-N 3.41Å; M54-V57 PolarHBondContact O-N 2.64Å; M54-L58 VanDerWaalsContact O-CB 3.28Å; M54-L58 WeakPolarHBondContact O-CB 3.21Å; M54-L58 VanDerWaalsContact O-CG 3.26Å; M54-L58 WeakPolarHBondContact O-CG 3.3Å; M54-L58 PolarHBondContact O-N 3.28Å
55E90.1Very high85.2Confident73 Ų7369.1 Ų69.134%0.34139%0.386SS..Hα-helixtrans-57.9-41.9175.4-75.8176.7170.100111.3L43 A51 L58 H59 Y60L43-E55 HydrophobicContact CD1-CG 3.8Å; L43-E55 HydrophobicContact CD2-CG 3.99Å; A51-E55 WeakPolarHBondContact O-CB 3.48Å; A51-E55 WeakPolarHBondContact O-CG 3.4Å; A51-E55 PolarHBondContact O-N 2.9Å; E55-L58 CarbonylContact O-C 3.58Å; E55-L58 PolarHBondContact O-N 3.02Å; E55-H59 PolarHBondContact O-N 2.83Å; E55-H59 VanDerWaalsContact O-N 3.08Å; E55-Y60 PolarHBondContact O-N 2.67Å
56K92.1Very high83.5Confident144 Ų14470.8 Ų70.863%0.62639%0.387SS*.Hα-helixtrans-64.9-47.7176.9-173.6178.8-178.2-179.40112.7E52 Q53 M54 L58 H59E52-K56 WeakPolarHBondContact O-CB 3.5Å; E52-K56 PolarHBondContact O-N 3.05Å; E52-K56 VanDerWaalsContact O-N 3.12Å; Q53-K56 PolarHBondContact O-N 3.27Å; M54-K56 VanDerWaalsContact C-N 3.27Å; M54-K56 PolarHBondContact O-N 3.41Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.31Å; K56-H59 PolarHBondContact O-N 3.19Å; K56-H59 VanDerWaalsContact O-N 3.16Å
57V94.1Very high81.9Confident84 Ų8471.2 Ų71.251%0.50939%0.388SS..Hα-helixtrans-66-33.9179.6171.60000111.5F11 Q53 M54 H59F11-V57 HydrophobicContact CD2-CG1 4.26Å; F11-V57 HydrophobicContact CE2-CG1 4.15Å; Q53-V57 WeakPolarHBondContact O-CG2 3.26Å; Q53-V57 PolarHBondContact O-N 2.86Å; Q53-V57 VanDerWaalsContact O-N 3.1Å; M54-V57 PolarHBondContact O-N 2.64Å; V57-H59 VanDerWaalsContact C-N 3.26Å; V57-H59 PolarHBondContact O-CD2 3.1Å; V57-H59 PolarHBondContact O-N 3.48Å
58L92.1Very high80.2Confident1 Ų172.1 Ų72.11%0.00540%0.396CS..THydrogen-bonded Turntrans-84.12.3177.2-65.4170.7000113.2F11 F36 L39 L43 M54 E55 K56 Y60F11-L58 HydrophobicContact CD2-CD2 4.19Å; F11-L58 HydrophobicContact CE2-CD2 4.28Å; F36-L58 HydrophobicContact CD2-CD2 3.55Å; F36-L58 HydrophobicContact CE2-CB 4.18Å; F36-L58 HydrophobicContact CE2-CD2 3.77Å; F36-L58 HydrophobicContact CG-CD2 4.45Å; L39-L58 HydrophobicContact CB-CD1 4.18Å; L39-L58 HydrophobicContact CB-CD2 3.86Å; L39-L58 HydrophobicContact CD1-CD2 4.2Å; L43-L58 HydrophobicContact CB-CD1 4.39Å; L43-L58 HydrophobicContact CD2-CD1 4.11Å; M54-L58 VanDerWaalsContact O-CB 3.28Å; M54-L58 WeakPolarHBondContact O-CB 3.21Å; M54-L58 VanDerWaalsContact O-CG 3.26Å; M54-L58 WeakPolarHBondContact O-CG 3.3Å; M54-L58 PolarHBondContact O-N 3.28Å; E55-L58 CarbonylContact O-C 3.58Å; E55-L58 PolarHBondContact O-N 3.02Å; K56-L58 VanDerWaalsContact C-N 3.28Å; K56-L58 PolarHBondContact O-N 3.31Å; L58-Y60 VanDerWaalsContact C-N 3.26Å; L58-Y60 HydrophobicContact CB-CD1 3.9Å; L58-Y60 HydrophobicContact CB-CE1 4.05Å; L58-Y60 HydrophobicContact CB-CG 4.49Å; L58-Y60 VanDerWaalsContact O-CD1 3.29Å; L58-Y60 WeakPolarHBondContact O-CD1 3.26Å; L58-Y60 PolarHBondContact O-N 3.14Å
59H91.7Very high78.2Confident30 Ų3073.6 Ų73.614%0.13940%0.404CS..THydrogen-bonded Turntrans58.131.8-178.6-61.6-82.5000114.3A7 E10 F11 D14 E55 K56 V57 F63A7-H59 HydrophobicContact CB-CB 4.14Å; E10-H59 HydrophobicContact CB-CB 4.46Å; E10-H59 IonicContact OE2-CG 2.81Å; E10-H59 IonicContact OE2-ND1 3.34Å; F11-H59 PolarHBondContact N-CD2 2.9Å; D14-H59 IonicContact OD2-CD2 3.09Å; D14-H59 IonicContact OD2-CE1 2.98Å; D14-H59 PolarHBondContact OD2-CE1 2.98Å; D14-H59 IonicContact OD2-NE2 2.72Å; D14-H59 PolarHBondContact OD2-NE2 3.2Å; E55-H59 PolarHBondContact O-N 2.83Å; E55-H59 VanDerWaalsContact O-N 3.08Å; K56-H59 PolarHBondContact O-N 3.19Å; K56-H59 VanDerWaalsContact O-N 3.16Å; V57-H59 VanDerWaalsContact C-N 3.26Å; V57-H59 PolarHBondContact O-CD2 3.1Å; V57-H59 PolarHBondContact O-N 3.48Å; H59-F63 VanDerWaalsContact O-CD2 3.27Å; H59-F63 WeakPolarHBondContact O-CD2 3.32Å; H59-F63 WeakPolarHBondContact O-CE2 3.28Å
60Y85.6Confident76.1Confident5 Ų572.6 Ų72.62%0.0240%0.399CS..  trans-80.7-29.4177.8-82.928000112.3F36 S40 L43 E55 L58 S62 F63 S64 M83 H84 F87F36-Y60 HydrophobicContact CE1-CE1 4.49Å; F36-Y60 HydrophobicContact CE2-CE1 4.33Å; F36-Y60 AromaticContact CZ-CE1 3.74Å; F36-Y60 HydrophobicContact CZ-CE1 3.74Å; S40-Y60 PolarHBondContact OG-OH 3.41Å; S40-Y60 VanDerWaalsContact OG-OH 3.1Å; L43-Y60 HydrophobicContact CD2-CD2 3.65Å; L43-Y60 HydrophobicContact CD2-CE2 3.68Å; E55-Y60 PolarHBondContact O-N 2.67Å; L58-Y60 VanDerWaalsContact C-N 3.26Å; L58-Y60 HydrophobicContact CB-CD1 3.9Å; L58-Y60 HydrophobicContact CB-CE1 4.05Å; L58-Y60 HydrophobicContact CB-CG 4.49Å; L58-Y60 VanDerWaalsContact O-CD1 3.29Å; L58-Y60 WeakPolarHBondContact O-CD1 3.26Å; L58-Y60 PolarHBondContact O-N 3.14Å; Y60-S62 VanDerWaalsContact C-N 3.31Å; Y60-S62 PolarHBondContact O-N 2.8Å; Y60-F63 PolarHBondContact O-N 3.38Å; Y60-F63 VanDerWaalsContact O-N 3.12Å; Y60-S64 PolarHBondContact O-N 3.15Å; Y60-M83 HydrophobicContact CD1-CE 4.46Å; Y60-M83 HydrophobicContact CD1-CG 4.16Å; Y60-M83 HydrophobicContact CD2-CB 4.4Å; Y60-M83 HydrophobicContact CD2-CG 4.15Å; Y60-M83 HydrophobicContact CE1-CB 4.13Å; Y60-M83 HydrophobicContact CE1-CG 3.97Å; Y60-M83 HydrophobicContact CE2-CB 3.71Å; Y60-M83 HydrophobicContact CE2-CG 3.93Å; Y60-M83 HydrophobicContact CG-CG 4.27Å; Y60-H84 AromaticContact CE2-CE1 3.98Å; Y60-F87 WeakPolarHBondContact OH-CE2 3.45Å
61D76.9Confident74.1Confident68 Ų6872.8 Ų72.836%0.36440%0.398SS..G310 helixtrans-61.9-36.8179.561.8-33.7000112.5F63 S64D61-F63 PolarHBondContact O-N 3.19Å; D61-S64 VanDerWaalsContact O-CB 3.26Å; D61-S64 WeakPolarHBondContact O-CB 3.29Å; D61-S64 PolarHBondContact O-N 3.32Å; D61-S64 PolarHBondContact O-OG 3.48Å
62S73.4Confident72Confident78 Ų7881.2 Ų81.255%0.54543%0.432SS..G310 helixtrans-53.7-22.9172.7-65.80000113.9Y60Y60-S62 VanDerWaalsContact C-N 3.31Å; Y60-S62 PolarHBondContact O-N 2.8Å
63F68.9Low70Confident36 Ų3682 Ų8216%0.15844%0.44CS..G310 helixtrans-107.7-6.2-178.2-59.5-81000113.4P3 T6 A7 H59 Y60 D61 G65 V66 L67 M83P3-F63 HydrophobicContact CB-CD1 3.72Å; P3-F63 HydrophobicContact CB-CD2 4.47Å; P3-F63 HydrophobicContact CB-CE1 3.86Å; P3-F63 HydrophobicContact CB-CG 4.04Å; P3-F63 HydrophobicContact CB-CZ 4.31Å; P3-F63 HydrophobicContact CG-CD1 4.14Å; P3-F63 HydrophobicContact CG-CE1 4.35Å; T6-F63 HydrophobicContact CG2-CZ 3.94Å; A7-F63 HydrophobicContact CB-CE2 4.16Å; H59-F63 VanDerWaalsContact O-CD2 3.27Å; H59-F63 WeakPolarHBondContact O-CD2 3.32Å; H59-F63 WeakPolarHBondContact O-CE2 3.28Å; Y60-F63 PolarHBondContact O-N 3.38Å; Y60-F63 VanDerWaalsContact O-N 3.12Å; D61-F63 PolarHBondContact O-N 3.19Å; F63-G65 PolarHBondContact O-N 3.43Å; F63-V66 WeakPolarHBondContact O-CA 3.27Å; F63-V66 WeakPolarHBondContact O-CB 3.5Å; F63-V66 PolarHBondContact O-N 3.12Å; F63-L67 HydrophobicContact CB-CD1 4.39Å; F63-L67 HydrophobicContact CB-CD2 4.23Å; F63-L67 HydrophobicContact CB-CG 4.12Å; F63-L67 VanDerWaalsContact O-CG 3.28Å; F63-L67 WeakPolarHBondContact O-CG 3.35Å; F63-L67 PolarHBondContact O-N 3.41Å; F63-M83 HydrophobicContact CB-CE 3.81Å; F63-M83 HydrophobicContact CD1-CE 4.39Å; F63-M83 HydrophobicContact CD2-CE 3.22Å; F63-M83 HydrophobicContact CE2-CE 3.88Å; F63-M83 HydrophobicContact CG-CE 3.53Å
64S62.8Low68Low61 Ų6180.4 Ų80.443%0.42744%0.444SS..Hα-helixtrans-47.4-33.8-173.562.90000115.4Y60 D61 L67 K68Y60-S64 PolarHBondContact O-N 3.15Å; D61-S64 VanDerWaalsContact O-CB 3.26Å; D61-S64 WeakPolarHBondContact O-CB 3.29Å; D61-S64 PolarHBondContact O-N 3.32Å; D61-S64 PolarHBondContact O-OG 3.48Å; S64-L67 PolarHBondContact O-N 3.35Å; S64-K68 WeakPolarHBondContact O-CG 3.41Å; S64-K68 PolarHBondContact O-N 2.83Å
65G56.8Low66.4Low58 Ų5881 Ų8160%0.59845%0.451SS*.Hα-helixtrans-68.1-41.4173.100000114.4F63 L67F63-G65 PolarHBondContact O-N 3.43Å; G65-L67 VanDerWaalsContact C-N 3.34Å
66V54.7Low65.4Low79 Ų7982 Ų8248%0.47946%0.456SS..Hα-helixtrans-70.5-33.9173.4-178.30000110.6F63 K68 A69F63-V66 WeakPolarHBondContact O-CA 3.27Å; F63-V66 WeakPolarHBondContact O-CB 3.5Å; F63-V66 PolarHBondContact O-N 3.12Å; V66-K68 PolarHBondContact O-N 3.15Å; V66-A69 PolarHBondContact O-N 2.99Å
67L54.2Low64.6Low31 Ų3175.2 Ų75.216%0.16243%0.427CS..Hα-helixtrans-65-37.4-179.1-60.1-179000112.1F63 S64 G65 A69 T71 V82F63-L67 HydrophobicContact CB-CD1 4.39Å; F63-L67 HydrophobicContact CB-CD2 4.23Å; F63-L67 HydrophobicContact CB-CG 4.12Å; F63-L67 VanDerWaalsContact O-CG 3.28Å; F63-L67 WeakPolarHBondContact O-CG 3.35Å; F63-L67 PolarHBondContact O-N 3.41Å; S64-L67 PolarHBondContact O-N 3.35Å; G65-L67 VanDerWaalsContact C-N 3.34Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 3.12Å; L67-T71 PolarHBondContact O-OG1 3.05Å; L67-V82 HydrophobicContact CB-CG2 3.7Å; L67-V82 HydrophobicContact CD2-CB 3.37Å; L67-V82 HydrophobicContact CD2-CG1 4.45Å; L67-V82 HydrophobicContact CD2-CG2 3.56Å; L67-V82 HydrophobicContact CG-CB 4.44Å; L67-V82 HydrophobicContact CG-CG2 4.14Å; L67-V82 WeakPolarHBondContact O-CG2 3.35Å
68K51.4Low62.9Low181 Ų18172.4 Ų72.479%0.78741%0.411SS*.Hα-helixtrans-68.4-25.1178.3-72.5177-177.7177.90114.1S64 V66S64-K68 WeakPolarHBondContact O-CG 3.41Å; S64-K68 PolarHBondContact O-N 2.83Å; V66-K68 PolarHBondContact O-N 3.15Å
69A47.2Very low61Low79 Ų7980.1 Ų80.165%0.65345%0.447SS*.Hα-helixtrans-83.3-24.7-17600000113.9V66 L67V66-A69 PolarHBondContact O-N 2.99Å; L67-A69 VanDerWaalsContact C-N 3.31Å; L67-A69 PolarHBondContact O-N 3.12Å
70K48.9Very low59.2Low145 Ų14579.9 Ų79.963%0.6345%0.447SS*.Hα-helixtrans-89.7-9-178.6-74.4-174.2175.6-178.60114.2K72 V82K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 2.8Å; K70-V82 HydrophobicContact CB-CG1 4.15Å; K70-V82 HydrophobicContact CD-CG1 4.16Å
71T49.5Very low57.7Low71 Ų7180.5 Ų80.544%0.43646%0.455SS..THydrogen-bonded Turntrans-84.440.4-173.9-13.10000114.3L67L67-T71 PolarHBondContact O-OG1 3.05Å
72K46.6Very low56.9Low191 Ų19179.2 Ų79.283%0.8345%0.45SS*.THydrogen-bonded Turntrans-83.7-12.9170.9-78.8-172.8176.3-179.50113.8K70K70-K72 VanDerWaalsContact C-N 3.26Å; K70-K72 PolarHBondContact O-N 2.8Å
73N47.1Very low56.6Low138 Ų13875.6 Ų75.674%0.73843%0.425SS*.SBendtrans-116.797.1176.4-68.2-13.2000110.2S75N73-S75 VanDerWaalsContact C-N 3.34Å; N73-S75 PolarHBondContact O-N 3.04Å
74S50.5Low56.8Low103 Ų10373.9 Ų73.972%0.7242%0.417SS*.  trans-72.779.2179.649.10000111.4
75S60.8Low57.3Low44 Ų4473.6 Ų73.631%0.30841%0.414SS..  trans-69.6148.8158.498.90000108.7N73 C77 S78N73-S75 VanDerWaalsContact C-N 3.34Å; N73-S75 PolarHBondContact O-N 3.04Å; S75-C77 PolarHBondContact O-N 2.86Å; S75-S78 WeakPolarHBondContact CA-OG 3.17Å; S75-S78 WeakPolarHBondContact CB-OG 3.45Å; S75-S78 PolarHBondContact N-OG 2.86Å; S75-S78 VanDerWaalsContact N-OG 3.09Å; S75-S78 WeakPolarHBondContact O-CA 3.46Å; S75-S78 WeakPolarHBondContact O-CB 3.26Å; S75-S78 PolarHBondContact O-N 3.2Å; S75-S78 PolarHBondContact O-OG 3.1Å; S75-S78 PolarHBondContact OG-N 3.47Å; S75-S78 PolarHBondContact OG-OG 3.06Å
76E68.4Low58.4Low94 Ų9474.9 Ų74.944%0.43941%0.407SS..THydrogen-bonded Turntrans-56.5-22.2-179.8-173.6168.3-15300114.6Q117 R120E76-Q117 HydrophobicContact CG-CG 4.02Å; E76-Q117 PolarHBondContact O-NE2 3.03Å; E76-R120 IonicContact OE1-CZ 3.36Å; E76-R120 IonicContact OE1-NH1 2.76Å; E76-R120 PolarHBondContact OE1-NH1 3.47Å; E76-R120 IonicContact OE1-NH2 3.18Å; E76-R120 PolarHBondContact OE1-NH2 3.34Å; E76-R120 IonicContact OE2-CZ 3.75Å; E76-R120 IonicContact OE2-NE 2.99Å; E76-R120 PolarHBondContact OE2-NE 2.99Å; E76-R120 IonicContact OE2-NH1 2.56Å; E76-R120 PolarHBondContact OE2-NH1 2.94Å; E76-R120 IonicContact OE2-NH2 3Å; E76-R120 PolarHBondContact OE2-NH2 3.49Å; E76-R120 VanDerWaalsContact OE2-NH2 3.09Å
77C74Confident59.9Low2 Ų271.1 Ų71.11%0.01438%0.384CS..THydrogen-bonded Turntrans-101.6-3.1174.4-54.70000113.1S75 Q79 C121 L125S75-C77 PolarHBondContact O-N 2.86Å; C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-C121 WeakPolarHBondContact CA-SG 3.16Å; C77-C121 HydrophobicContact CB-CB 3.85Å; C77-C121 WeakPolarHBondContact CB-SG 3.34Å; C77-C121 WeakPolarHBondContact SG-CA 3.29Å; C77-C121 WeakPolarHBondContact SG-CB 3.41Å; C77-C121 CovalentContact SG-SG 2.04Å; C77-C121 PolarHBondContact SG-SG 3.14Å; C77-L125 HydrophobicContact CB-CD1 3.74Å; C77-L125 HydrophobicContact CB-CG 4.37Å
78S58.8Low61.5Low25 Ų2576 Ų7618%0.17540%0.4CS..G310 helixtrans-76.6-18.6179.4-550000113.3S75 V80S75-S78 WeakPolarHBondContact CA-OG 3.17Å; S75-S78 WeakPolarHBondContact CB-OG 3.45Å; S75-S78 PolarHBondContact N-OG 2.86Å; S75-S78 VanDerWaalsContact N-OG 3.09Å; S75-S78 WeakPolarHBondContact O-CA 3.46Å; S75-S78 WeakPolarHBondContact O-CB 3.26Å; S75-S78 PolarHBondContact O-N 3.2Å; S75-S78 PolarHBondContact O-OG 3.1Å; S75-S78 PolarHBondContact OG-N 3.47Å; S75-S78 PolarHBondContact OG-OG 3.06Å; S78-V80 PolarHBondContact O-N 2.93Å; S78-V80 VanDerWaalsContact O-N 3.1Å
79Q53.3Low63.2Low163 Ų16370.5 Ų70.576%0.76239%0.388SS*.G310 helixtrans-68.7-3.6178.4-65.2-167.6-8.100113.2C77C77-Q79 VanDerWaalsContact C-N 3.33Å
80V52.6Low65.2Low25 Ų2569.7 Ų69.715%0.15237%0.373CS..G310 helixtrans-1125.8-168.6-150.50000113L44 S78 H84L44-V80 HydrophobicContact CB-CG1 4.15Å; L44-V80 HydrophobicContact CD2-CB 3.54Å; L44-V80 HydrophobicContact CD2-CG1 3.4Å; L44-V80 VanDerWaalsContact CD2-CG1 3.4Å; L44-V80 HydrophobicContact CD2-CG2 4.13Å; L44-V80 HydrophobicContact CG-CG1 4.36Å; S78-V80 PolarHBondContact O-N 2.93Å; S78-V80 VanDerWaalsContact O-N 3.1Å; V80-H84 PolarHBondContact O-CD2 3.27Å; V80-H84 PolarHBondContact O-NE2 3.32Å
81G55.6Low67.1Low18 Ų1862.8 Ų62.819%0.18634%0.343CS..  trans121.2145.317800000112.7M83G81-M83 VanDerWaalsContact C-N 3.26Å; G81-M83 PolarHBondContact O-N 3.12Å
82V58.5Low69.1Low42 Ų4261.2 Ų61.226%0.25534%0.335SS..THydrogen-bonded Turntrans-78.7-9.1-172.4-164.70000112.7L67 K70 P85L67-V82 HydrophobicContact CB-CG2 3.7Å; L67-V82 HydrophobicContact CD2-CB 3.37Å; L67-V82 HydrophobicContact CD2-CG1 4.45Å; L67-V82 HydrophobicContact CD2-CG2 3.56Å; L67-V82 HydrophobicContact CG-CB 4.44Å; L67-V82 HydrophobicContact CG-CG2 4.14Å; L67-V82 WeakPolarHBondContact O-CG2 3.35Å; K70-V82 HydrophobicContact CB-CG1 4.15Å; K70-V82 HydrophobicContact CD-CG1 4.16Å; V82-P85 WeakPolarHBondContact O-CD 3.23Å
83M67.9Low71.2Confident2 Ų257.3 Ų57.31%0.0132%0.319CS..THydrogen-bonded Turntrans-79.2-25.2-179.1-62.3-88.6-168.600112.7P3 I4 A7 Y60 F63 G81P3-M83 HydrophobicContact CB-CE 3.41Å; P3-M83 VanDerWaalsContact CB-CE 3.41Å; P3-M83 HydrophobicContact CB-SD 3.74Å; I4-M83 HydrophobicContact CB-SD 4.24Å; I4-M83 HydrophobicContact CD1-CB 4.26Å; I4-M83 WeakPolarHBondContact CD1-O 3.27Å; I4-M83 HydrophobicContact CD1-SD 4.36Å; I4-M83 HydrophobicContact CG1-CB 3.97Å; I4-M83 HydrophobicContact CG1-CG 4.25Å; I4-M83 HydrophobicContact CG1-SD 3.26Å; I4-M83 WeakPolarHBondContact CG1-SD 3.27Å; A7-M83 HydrophobicContact CB-CE 4.29Å; Y60-M83 HydrophobicContact CD1-CE 4.46Å; Y60-M83 HydrophobicContact CD1-CG 4.16Å; Y60-M83 HydrophobicContact CD2-CB 4.4Å; Y60-M83 HydrophobicContact CD2-CG 4.15Å; Y60-M83 HydrophobicContact CE1-CB 4.13Å; Y60-M83 HydrophobicContact CE1-CG 3.97Å; Y60-M83 HydrophobicContact CE2-CB 3.71Å; Y60-M83 HydrophobicContact CE2-CG 3.93Å; Y60-M83 HydrophobicContact CG-CG 4.27Å; F63-M83 HydrophobicContact CB-CE 3.81Å; F63-M83 HydrophobicContact CD1-CE 4.39Å; F63-M83 HydrophobicContact CD2-CE 3.22Å; F63-M83 HydrophobicContact CE2-CE 3.88Å; F63-M83 HydrophobicContact CG-CE 3.53Å; G81-M83 VanDerWaalsContact C-N 3.26Å; G81-M83 PolarHBondContact O-N 3.12Å
84H73.3Confident73.3Confident0 Ų051.5 Ų51.50%029%0.288CS..Hα-helixtrans-68.4-38.1-173-59.3-61.2000116.4S40 L44 Y60 V80 D86 F87 L125 Y126S40-H84 PolarHBondContact O-CE1 3.4Å; S40-H84 VanDerWaalsContact O-CE1 3.28Å; L44-H84 HydrophobicContact CD2-CB 4.48Å; L44-H84 VanDerWaalsContact CD2-CD2 3.44Å; L44-H84 WeakPolarHBondContact CD2-CD2 3.45Å; L44-H84 WeakPolarHBondContact CD2-NE2 3.39Å; Y60-H84 AromaticContact CE2-CE1 3.98Å; V80-H84 PolarHBondContact O-CD2 3.27Å; V80-H84 PolarHBondContact O-NE2 3.32Å; H84-D86 VanDerWaalsContact C-N 3.26Å; H84-D86 PolarHBondContact O-N 2.94Å; H84-F87 AromaticContact ND1-CE2 3.96Å; H84-F87 PolarHBondContact O-N 3.02Å; H84-L125 HydrophobicContact CB-CD1 3.69Å; H84-L125 HydrophobicContact CB-CD2 4.39Å; H84-L125 HydrophobicContact CB-CG 4.46Å; H84-Y126 PolarHBondContact CE1-OH 3.18Å; H84-Y126 VanDerWaalsContact CE1-OH 3.3Å; H84-Y126 AromaticContact ND1-CZ 3.72Å; H84-Y126 PolarHBondContact ND1-OH 3.09Å
85P72.6Confident75.3Confident55 Ų5549.5 Ų49.536%0.35727%0.269SS..Hα-helixtrans-58.9-34-179-27.137.1000114.6V82 F87 R88V82-P85 WeakPolarHBondContact O-CD 3.23Å; P85-F87 VanDerWaalsContact C-N 3.31Å; P85-F87 PolarHBondContact O-N 2.87Å; P85-R88 PolarHBondContact O-N 3.42Å
86D80Confident76.8Confident85 Ų8554.3 Ų54.346%0.45529%0.287SS..Hα-helixtrans-73.1-24.2-176.8-65.1-20.1000111.9I4 H84 R88 A89 L90I4-D86 HydrophobicContact CD1-CB 3.18Å; I4-D86 WeakPolarHBondContact CD1-OD2 3.43Å; H84-D86 VanDerWaalsContact C-N 3.26Å; H84-D86 PolarHBondContact O-N 2.94Å; D86-R88 VanDerWaalsContact C-N 3.26Å; D86-R88 PolarHBondContact O-N 2.93Å; D86-A89 PolarHBondContact O-N 3.26Å; D86-L90 PolarHBondContact O-N 2.94Å
87F86.2Confident77.8Confident0 Ų054.5 Ų54.50%029%0.288CS..Hα-helixtrans-60.7-35.8174.1-69.1-47.7000112.7I4 F36 Y37 Y60 H84 P85 A89 L90 I91 L125 Y126I4-F87 HydrophobicContact CG2-CD1 4.48Å; I4-F87 HydrophobicContact CG2-CE1 3.82Å; I4-F87 HydrophobicContact CG2-CZ 4.45Å; F36-F87 AromaticContact CD1-CE1 3.99Å; F36-F87 HydrophobicContact CD1-CE1 3.99Å; F36-F87 AromaticContact CD1-CZ 3.87Å; F36-F87 HydrophobicContact CD1-CZ 3.87Å; F36-F87 AromaticContact CE1-CE1 3.84Å; F36-F87 HydrophobicContact CE1-CE1 3.84Å; F36-F87 AromaticContact CE1-CZ 3.54Å; F36-F87 HydrophobicContact CE1-CZ 3.54Å; Y37-F87 AromaticContact CD1-CD1 3.61Å; Y37-F87 HydrophobicContact CD1-CD1 3.61Å; Y37-F87 AromaticContact CD1-CE1 3.52Å; Y37-F87 HydrophobicContact CD1-CE1 3.52Å; Y37-F87 HydrophobicContact CD1-CG 4.33Å; Y37-F87 HydrophobicContact CD1-CZ 4.17Å; Y37-F87 AromaticContact CE1-CD1 3.12Å; Y37-F87 HydrophobicContact CE1-CD1 3.12Å; Y37-F87 AromaticContact CE1-CE1 3.28Å; Y37-F87 HydrophobicContact CE1-CE1 3.28Å; Y37-F87 HydrophobicContact CE1-CG 4.1Å; Y37-F87 HydrophobicContact CE1-CZ 4.34Å; Y37-F87 AromaticContact CZ-CD1 3.99Å; Y60-F87 WeakPolarHBondContact OH-CE2 3.45Å; H84-F87 AromaticContact ND1-CE2 3.96Å; H84-F87 PolarHBondContact O-N 3.02Å; P85-F87 VanDerWaalsContact C-N 3.31Å; P85-F87 PolarHBondContact O-N 2.87Å; F87-A89 VanDerWaalsContact C-N 3.31Å; F87-A89 PolarHBondContact O-N 2.87Å; F87-L90 PolarHBondContact O-N 3.4Å; F87-I91 HydrophobicContact CB-CD1 4.5Å; F87-I91 WeakPolarHBondContact O-CB 3.22Å; F87-I91 WeakPolarHBondContact O-CD1 3.41Å; F87-I91 VanDerWaalsContact O-CG1 3.22Å; F87-I91 WeakPolarHBondContact O-CG1 3.39Å; F87-I91 PolarHBondContact O-N 2.91Å; F87-L125 CarbonylContact C-O 3.56Å; F87-Y126 HydrophobicContact CB-CD1 4.22Å; F87-Y126 HydrophobicContact CB-CE1 4.06Å; F87-Y126 HydrophobicContact CD2-CD1 4.22Å; F87-Y126 AromaticContact CD2-CE1 3.25Å; F87-Y126 HydrophobicContact CD2-CE1 3.25Å; F87-Y126 AromaticContact CD2-CZ 3.5Å; F87-Y126 WeakPolarHBondContact CD2-OH 3.38Å; F87-Y126 AromaticContact CE2-CE1 3.77Å; F87-Y126 HydrophobicContact CE2-CE1 3.77Å; F87-Y126 AromaticContact CE2-CZ 3.91Å; F87-Y126 WeakPolarHBondContact CE2-OH 3.38Å; F87-Y126 HydrophobicContact CG-CD1 4.39Å; F87-Y126 AromaticContact CG-CE1 3.79Å; F87-Y126 HydrophobicContact CG-CE1 3.79Å
88R87.9Confident78.1Confident133 Ų13362.8 Ų62.850%0.50233%0.332SS..Hα-helixtrans-61.6-44.4177.7-172.1-170-178.4-167.5-2.4110.7P85 D86 S92 K124 L125P85-R88 PolarHBondContact O-N 3.42Å; D86-R88 VanDerWaalsContact C-N 3.26Å; D86-R88 PolarHBondContact O-N 2.93Å; R88-S92 WeakPolarHBondContact O-CB 3.38Å; R88-S92 PolarHBondContact O-N 3.46Å; R88-S92 PolarHBondContact O-OG 3.43Å; R88-K124 WeakPolarHBondContact CD-O 3.39Å; R88-K124 WeakPolarHBondContact CG-O 3.39Å; R88-L125 VanDerWaalsContact CA-O 3.27Å; R88-L125 WeakPolarHBondContact CA-O 3.37Å; R88-L125 PolarHBondContact N-O 3.26Å; R88-L125 VanDerWaalsContact N-O 3.09Å
89A87.8Confident79.6Confident65 Ų6567.4 Ų67.454%0.53736%0.364SS..Hα-helixtrans-64.8-45.7178.800000110.4D86 F87 S92 H93D86-A89 PolarHBondContact O-N 3.26Å; F87-A89 VanDerWaalsContact C-N 3.31Å; F87-A89 PolarHBondContact O-N 2.87Å; A89-S92 PolarHBondContact O-N 3.25Å; A89-H93 WeakPolarHBondContact O-CB 3.42Å; A89-H93 PolarHBondContact O-N 3.02Å
90L88.3Confident81.3Confident63 Ų6364.6 Ų64.633%0.3335%0.354SS..Hα-helixtrans-62.8-47.7179.4-176.353.3000112.5L33 Y37 D86 F87 S92 H93 I94L33-L90 HydrophobicContact CD1-CD2 4.38Å; Y37-L90 HydrophobicContact CE1-CD2 4.47Å; Y37-L90 WeakPolarHBondContact OH-CD2 3.47Å; Y37-L90 WeakPolarHBondContact OH-CG 3.4Å; D86-L90 PolarHBondContact O-N 2.94Å; F87-L90 PolarHBondContact O-N 3.4Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S92 PolarHBondContact O-N 2.87Å; L90-H93 PolarHBondContact O-N 3.3Å; L90-I94 HydrophobicContact CD1-CD1 3.98Å; L90-I94 HydrophobicContact CD1-CG1 4.24Å; L90-I94 HydrophobicContact CG-CD1 4Å; L90-I94 VanDerWaalsContact O-CG1 3.32Å; L90-I94 WeakPolarHBondContact O-CG1 3.09Å; L90-I94 PolarHBondContact O-N 2.83Å
91I89.9Confident83.2Confident0 Ų067.9 Ų67.90%038%0.378CS..Hα-helixtrans-60.4-43.6176-66.9164000110.7Y37 F87 H93 I94 N95 V102 Y126 Q127Y37-I91 HydrophobicContact CE2-CD1 4.23Å; Y37-I91 HydrophobicContact CE2-CG1 3.77Å; F87-I91 HydrophobicContact CB-CD1 4.5Å; F87-I91 WeakPolarHBondContact O-CB 3.22Å; F87-I91 WeakPolarHBondContact O-CD1 3.41Å; F87-I91 VanDerWaalsContact O-CG1 3.22Å; F87-I91 WeakPolarHBondContact O-CG1 3.39Å; F87-I91 PolarHBondContact O-N 2.91Å; I91-H93 VanDerWaalsContact C-N 3.33Å; I91-H93 PolarHBondContact O-N 2.79Å; I91-I94 PolarHBondContact O-N 3.11Å; I91-N95 WeakPolarHBondContact O-CB 3.42Å; I91-N95 VanDerWaalsContact O-CG 3.32Å; I91-N95 PolarHBondContact O-N 2.88Å; I91-V102 HydrophobicContact CG1-CG1 4.38Å; I91-Y126 HydrophobicContact CD1-CD1 4.43Å; I91-Q127 HydrophobicContact CG2-CG 4.28Å
92S91.2Very high84.9Confident38 Ų3868.2 Ų68.227%0.26638%0.376SS..Hα-helixtrans-64.2-40178.8-54.60000111.7R88 A89 L90 Q96 Q127R88-S92 WeakPolarHBondContact O-CB 3.38Å; R88-S92 PolarHBondContact O-N 3.46Å; R88-S92 PolarHBondContact O-OG 3.43Å; A89-S92 PolarHBondContact O-N 3.25Å; L90-S92 VanDerWaalsContact C-N 3.32Å; L90-S92 PolarHBondContact O-N 2.87Å; S92-Q96 VanDerWaalsContact O-CG 3.28Å; S92-Q96 WeakPolarHBondContact O-CG 3.05Å; S92-Q96 PolarHBondContact O-N 2.85Å; S92-Q127 PolarHBondContact OG-NE2 3.07Å; S92-Q127 VanDerWaalsContact OG-NE2 3.14Å
93H90.8Very high86.5Confident109 Ų10969.5 Ų69.551%0.50539%0.391SS..Hα-helixtrans-67-43.2177.4-17673.7000112A89 L90 I91 Q96A89-H93 WeakPolarHBondContact O-CB 3.42Å; A89-H93 PolarHBondContact O-N 3.02Å; L90-H93 PolarHBondContact O-N 3.3Å; I91-H93 VanDerWaalsContact C-N 3.33Å; I91-H93 PolarHBondContact O-N 2.79Å; H93-Q96 PolarHBondContact O-N 3.31Å
94I90.9Very high87.7Confident16 Ų1670.3 Ų70.38%0.08240%0.396CS..Hα-helixtrans-61.3-47.7176-68.6165.4000110.1L33 L90 I91 Q96 Q97 L100 V102L33-I94 HydrophobicContact CD2-CD1 4.05Å; L90-I94 HydrophobicContact CD1-CD1 3.98Å; L90-I94 HydrophobicContact CD1-CG1 4.24Å; L90-I94 HydrophobicContact CG-CD1 4Å; L90-I94 VanDerWaalsContact O-CG1 3.32Å; L90-I94 WeakPolarHBondContact O-CG1 3.09Å; L90-I94 PolarHBondContact O-N 2.83Å; I91-I94 PolarHBondContact O-N 3.11Å; I94-Q96 PolarHBondContact O-N 2.99Å; I94-Q96 VanDerWaalsContact O-N 3.12Å; I94-Q97 VanDerWaalsContact O-CB 3.26Å; I94-Q97 WeakPolarHBondContact O-CB 3.4Å; I94-Q97 WeakPolarHBondContact O-CG 3.39Å; I94-Q97 PolarHBondContact O-N 3.42Å; I94-L100 HydrophobicContact CG2-CB 4.25Å; I94-L100 HydrophobicContact CG2-CD2 3.7Å; I94-L100 HydrophobicContact CG2-CG 3.63Å; I94-V102 HydrophobicContact CD1-CG2 4.14Å; I94-V102 HydrophobicContact CG2-CG2 3.9Å
95N92.1Very high88.8Confident61 Ų6174.5 Ų74.533%0.32641%0.412SS..THydrogen-bonded Turntrans-69.4-8.2-177.8-72.9-13.6000114.6I91 S101 V102I91-N95 WeakPolarHBondContact O-CB 3.42Å; I91-N95 VanDerWaalsContact O-CG 3.32Å; I91-N95 PolarHBondContact O-N 2.88Å; N95-S101 VanDerWaalsContact OD1-CA 3.24Å; N95-S101 WeakPolarHBondContact OD1-CA 3.32Å; N95-V102 PolarHBondContact ND2-O 3.3Å; N95-V102 PolarHBondContact OD1-N 3.26Å; N95-V102 PolarHBondContact OD1-O 2.7Å
96Q92.6Very high89.9Confident144 Ų14473 Ų7367%0.67340%0.401SS*.THydrogen-bonded Turntrans-84.7-12.4169.9-74.3168.24.100112.5S92 H93 I94S92-Q96 VanDerWaalsContact O-CG 3.28Å; S92-Q96 WeakPolarHBondContact O-CG 3.05Å; S92-Q96 PolarHBondContact O-N 2.85Å; H93-Q96 PolarHBondContact O-N 3.31Å; I94-Q96 PolarHBondContact O-N 2.99Å; I94-Q96 VanDerWaalsContact O-N 3.12Å
97Q89Confident90.7Very high98 Ų9871 Ų7146%0.45839%0.387SS..SBendtrans-81.2142.6176.8-54.8-63.8-28.300110I94 S99I94-Q97 VanDerWaalsContact O-CB 3.26Å; I94-Q97 WeakPolarHBondContact O-CB 3.4Å; I94-Q97 WeakPolarHBondContact O-CG 3.39Å; I94-Q97 PolarHBondContact O-N 3.42Å; Q97-S99 VanDerWaalsContact C-N 3.31Å; Q97-S99 PolarHBondContact O-N 2.84Å
98N80.6Confident91.1Very high176 Ų17671.1 Ų71.194%0.94139%0.388SS*.SBendtrans-76.3-16-175.7-70-27.3000114.2
99S89.5Confident91.4Very high122 Ų12265.9 Ų65.985%0.85337%0.371SS*.SBendtrans-114.4-4.9-171.756.20000114.5Q97Q97-S99 VanDerWaalsContact C-N 3.31Å; Q97-S99 PolarHBondContact O-N 2.84Å
100L90.1Very high91.5Very high104 Ų10470.7 Ų70.755%0.54538%0.375SS..  trans-142.3135.3-176.9-175.364.9000110.1I94I94-L100 HydrophobicContact CG2-CB 4.25Å; I94-L100 HydrophobicContact CG2-CD2 3.7Å; I94-L100 HydrophobicContact CG2-CG 3.63Å
101S91.8Very high91.6Very high95 Ų9571.4 Ų71.466%0.66439%0.385SS*.  trans-138.5154.2173.364.80000110.9N95N95-S101 VanDerWaalsContact OD1-CA 3.24Å; N95-S101 WeakPolarHBondContact OD1-CA 3.32Å
102V91.6Very high91.6Very high24 Ų2476.4 Ų76.415%0.14541%0.411CS..  trans-127.2124.8172.5176.30000107.8Y37 I91 I94 N95Y37-V102 HydrophobicContact CD2-CG1 4.11Å; Y37-V102 HydrophobicContact CE2-CG1 4.03Å; I91-V102 HydrophobicContact CG1-CG1 4.38Å; I94-V102 HydrophobicContact CD1-CG2 4.14Å; I94-V102 HydrophobicContact CG2-CG2 3.9Å; N95-V102 PolarHBondContact ND2-O 3.3Å; N95-V102 PolarHBondContact OD1-N 3.26Å; N95-V102 PolarHBondContact OD1-O 2.7Å
103A92.6Very high91.7Very high69 Ų6980.5 Ų80.557%0.5744%0.439SS*.  trans-125.6138.9173.600000109.6W149A103-W149 HydrophobicContact CB-CH2 4.12Å; A103-W149 HydrophobicContact CB-CZ2 3.96Å
104N93.9Very high91.9Very high20 Ų2078.3 Ų78.311%0.10743%0.429CS..  trans-124.1146.6177.8-63-61.5000109.7M41 Y126 A128M41-N104 HydrophobicContact CE-CB 4.08Å; M41-N104 HydrophobicContact SD-CB 4.09Å; N104-Y126 PolarHBondContact ND2-O 3.44Å; N104-A128 HydrophobicContact CB-CB 3.59Å; N104-A128 WeakPolarHBondContact O-CA 3.47Å
105R95.3Very high92Very high88 Ų8883.6 Ų83.633%0.33245%0.453SS..EExtended strand (participates in β ladder)trans-148.8146174-176165-72.3-151.85.4109.8Y107 W149R105-Y107 HydrophobicContact CB-CE2 4.05Å; R105-Y107 VanDerWaalsContact CD-OH 3.23Å; R105-Y107 WeakPolarHBondContact CD-OH 3.28Å; R105-Y107 HydrophobicContact CG-CD2 4.06Å; R105-Y107 HydrophobicContact CG-CE1 4.45Å; R105-Y107 HydrophobicContact CG-CE2 3.65Å; R105-W149 HydrophobicContact CB-CD2 4.37Å; R105-W149 HydrophobicContact CB-CE3 4.27Å; R105-W149 HydrophobicContact CB-CH2 3.59Å; R105-W149 HydrophobicContact CB-CZ2 3.67Å; R105-W149 HydrophobicContact CB-CZ3 3.91Å
106I95.7Very high92Very high24 Ų2489.5 Ų89.512%0.12348%0.475CS..EExtended strand (participates in β ladder)trans-108.4122.9172.1-60.5170.1000107Y118 C122 A128 K129 L130 Q131I106-Y118 HydrophobicContact CD1-CE1 3.95Å; I106-C122 HydrophobicContact CD1-CB 3.54Å; I106-A128 HydrophobicContact CD1-CB 4.46Å; I106-A128 HydrophobicContact CG1-CB 4.35Å; I106-K129 PolarHBondContact N-O 3.38Å; I106-L130 HydrophobicContact CB-CD1 4.21Å; I106-L130 HydrophobicContact CG2-CD1 3.72Å; I106-L130 CarbonylContact O-C 3.59Å; I106-L130 WeakPolarHBondContact O-CA 3.49Å; I106-Q131 PolarHBondContact O-N 3.34Å
107Y96.3Very high91.9Very high43 Ų4385.1 Ų85.117%0.16946%0.455CS..EExtended strand (participates in β ladder)trans-101.6115.9170.2-68.6-86.5000108.6R105 Q131 V133 I146 W149R105-Y107 HydrophobicContact CB-CE2 4.05Å; R105-Y107 VanDerWaalsContact CD-OH 3.23Å; R105-Y107 WeakPolarHBondContact CD-OH 3.28Å; R105-Y107 HydrophobicContact CG-CD2 4.06Å; R105-Y107 HydrophobicContact CG-CE1 4.45Å; R105-Y107 HydrophobicContact CG-CE2 3.65Å; Y107-Q131 WeakPolarHBondContact CA-O 3.4Å; Y107-Q131 HydrophobicContact CD1-CB 4.14Å; Y107-Q131 HydrophobicContact CD1-CG 4.39Å; Y107-Q131 HydrophobicContact CE1-CB 4.23Å; Y107-Q131 HydrophobicContact CE1-CG 4.32Å; Y107-Q131 VanDerWaalsContact CE1-OE1 3.28Å; Y107-V133 HydrophobicContact CD1-CG1 3.79Å; Y107-V133 HydrophobicContact CD1-CG2 4.41Å; Y107-V133 HydrophobicContact CE1-CG1 4.38Å; Y107-I146 HydrophobicContact CD1-CD1 4.24Å; Y107-I146 HydrophobicContact CD1-CG1 3.71Å; Y107-I146 HydrophobicContact CD2-CD1 4.32Å; Y107-I146 HydrophobicContact CD2-CG1 3.87Å; Y107-I146 HydrophobicContact CD2-CG2 4.47Å; Y107-I146 HydrophobicContact CE1-CG1 3.61Å; Y107-I146 HydrophobicContact CE2-CB 4.36Å; Y107-I146 HydrophobicContact CE2-CG1 3.8Å; Y107-I146 HydrophobicContact CE2-CG2 4.08Å; Y107-I146 HydrophobicContact CG-CD1 4.06Å; Y107-I146 HydrophobicContact CG-CG1 3.81Å; Y107-W149 HydrophobicContact CE2-CE3 4.29Å; Y107-W149 WeakPolarHBondContact OH-CB 3.48Å
108G94.7Very high92Very high2 Ų282.7 Ų82.72%0.02144%0.442CS..EExtended strand (participates in β ladder)trans-117.1146.9-176.400000112.1Q131 T132 V133G108-Q131 PolarHBondContact N-O 2.87Å; G108-T132 CarbonylContact O-C 3.56Å; G108-T132 VanDerWaalsContact O-CA 3.29Å; G108-T132 WeakPolarHBondContact O-CA 3.44Å; G108-V133 PolarHBondContact O-N 2.87Å
109T94.1Very high92.7Very high22 Ų2275.7 Ų75.714%0.13541%0.406CS..EExtended strand (participates in β ladder)trans-66.4148.6174.6-175.90000111.9S111 I112T109-S111 WeakPolarHBondContact CG2-OG 3.41Å; T109-S111 PolarHBondContact O-N 3.02Å; T109-S111 PolarHBondContact OG1-N 3.46Å; T109-S111 PolarHBondContact OG1-OG 3.27Å; T109-I112 HydrophobicContact CG2-CB 3.89Å; T109-I112 HydrophobicContact CG2-CD1 3.69Å; T109-I112 HydrophobicContact CG2-CG1 3.61Å
110R90.2Very high92.8Very high166 Ų16675 Ų7563%0.62638%0.384SS*.THydrogen-bonded Turntrans-66.8-23169.5-69174.1-179.1174.4-1.5113.1I112 T132 V133 D134R110-I112 PolarHBondContact O-N 3.43Å; R110-T132 VanDerWaalsContact CA-CG2 3.48Å; R110-T132 HydrophobicContact CB-CG2 4.04Å; R110-T132 HydrophobicContact CG-CG2 3.44Å; R110-T132 VanDerWaalsContact CG-CG2 3.44Å; R110-V133 PolarHBondContact N-O 3.3Å; R110-V133 VanDerWaalsContact N-O 3.17Å; R110-D134 IonicContact NH1-OD2 2.83Å
111S89.8Confident92.9Very high78 Ų7870.2 Ų70.255%0.54536%0.359SS..THydrogen-bonded Turntrans-75.7-6.6-176.549.50000114.3T109 E136T109-S111 WeakPolarHBondContact CG2-OG 3.41Å; T109-S111 PolarHBondContact O-N 3.02Å; T109-S111 PolarHBondContact OG1-N 3.46Å; T109-S111 PolarHBondContact OG1-OG 3.27Å; S111-E136 PolarHBondContact OG-OE1 3.21Å; S111-E136 VanDerWaalsContact OG-OE1 3.07Å
112I90.7Very high92.9Very high106 Ų10665.7 Ų65.754%0.54433%0.328SS..SBendtrans-127.2137.9-178.4-57.8173.3000110.7T109 R110T109-I112 HydrophobicContact CG2-CB 3.89Å; T109-I112 HydrophobicContact CG2-CD1 3.69Å; T109-I112 HydrophobicContact CG2-CG1 3.61Å; R110-I112 PolarHBondContact O-N 3.43Å
113S93.9Very high93.1Very high123 Ų12368.8 Ų68.886%0.8634%0.34SS*.  trans-87.3115.1169.4-69.70000110.7
114F94Very high93Very high64 Ų6470 Ų7028%0.28133%0.333SS..  trans-74.7141.2178.3-70.4-95.6000111.7K116 V119 L130F114-K116 PolarHBondContact O-N 2.93Å; F114-V119 HydrophobicContact CB-CG2 3.73Å; F114-L130 HydrophobicContact CB-CD2 4.03Å; F114-L130 HydrophobicContact CD2-CD1 4.28Å; F114-L130 HydrophobicContact CD2-CD2 3.75Å; F114-L130 HydrophobicContact CE2-CD1 4.21Å; F114-L130 HydrophobicContact CE2-CD2 4.43Å; F114-L130 HydrophobicContact CG-CD2 3.87Å; F114-L130 HydrophobicContact CZ-CD1 4.35Å
115H93.4Very high92.8Very high127 Ų12769.5 Ų69.559%0.58833%0.33SS*.  trans-63.9121.9175.8-164.4-89.5000110.3Q117 Y118 V119H115-Q117 WeakPolarHBondContact ND1-CB 3.49Å; H115-Q117 PolarHBondContact ND1-N 3.47Å; H115-Q117 PolarHBondContact O-N 3.12Å; H115-Q117 VanDerWaalsContact O-N 3.15Å; H115-Y118 WeakPolarHBondContact O-CB 3.28Å; H115-Y118 PolarHBondContact O-N 3.28Å; H115-V119 PolarHBondContact O-N 3.02Å
116K92.9Very high92.6Very high185 Ų18565.3 Ų65.380%0.80431%0.314SS*.Hα-helixtrans-56-37.7-174.1-67.3-177.6179.5178.60112.9F114 Y118 V119 R120F114-K116 PolarHBondContact O-N 2.93Å; K116-Y118 PolarHBondContact O-N 3.29Å; K116-V119 PolarHBondContact O-N 3.36Å; K116-R120 WeakPolarHBondContact O-CB 3.41Å; K116-R120 PolarHBondContact O-N 3.02Å
117Q90.3Very high92.5Very high51 Ų5167.9 Ų67.924%0.23833%0.326CS..Hα-helixtrans-63.2-41.5177.7-170.1-175.80.500112.1E76 H115 C121E76-Q117 HydrophobicContact CG-CG 4.02Å; E76-Q117 PolarHBondContact O-NE2 3.03Å; H115-Q117 WeakPolarHBondContact ND1-CB 3.49Å; H115-Q117 PolarHBondContact ND1-N 3.47Å; H115-Q117 PolarHBondContact O-N 3.12Å; H115-Q117 VanDerWaalsContact O-N 3.15Å; Q117-C121 WeakPolarHBondContact O-CB 3.32Å; Q117-C121 PolarHBondContact O-N 2.79Å; Q117-C121 PolarHBondContact O-SG 2.67Å
118Y91.1Very high92.5Very high47 Ų4765.9 Ų65.918%0.18432%0.318CS..Hα-helixtrans-62-51.8178.6169.9-99.3000110.4L44 I106 H115 K116 R120 C121 C122L44-Y118 HydrophobicContact CB-CD2 4.07Å; L44-Y118 HydrophobicContact CB-CE2 3.98Å; I106-Y118 HydrophobicContact CD1-CE1 3.95Å; H115-Y118 WeakPolarHBondContact O-CB 3.28Å; H115-Y118 PolarHBondContact O-N 3.28Å; K116-Y118 PolarHBondContact O-N 3.29Å; Y118-R120 VanDerWaalsContact C-N 3.35Å; Y118-R120 PolarHBondContact O-N 2.86Å; Y118-C121 PolarHBondContact O-N 2.95Å; Y118-C121 VanDerWaalsContact O-N 3.08Å; Y118-C122 VanDerWaalsContact CE2-SG 3.51Å; Y118-C122 PolarHBondContact O-N 3.17Å; Y118-C122 PolarHBondContact O-SG 3.04Å; Y118-C122 VanDerWaalsContact O-SG 3.38Å
119V94.3Very high92.5Very high30 Ų3071.6 Ų71.618%0.18234%0.342CS..Hα-helixtrans-56.8-48.3-180179.20000111.3F114 H115 K116 C121 C122 E123 L130F114-V119 HydrophobicContact CB-CG2 3.73Å; H115-V119 PolarHBondContact O-N 3.02Å; K116-V119 PolarHBondContact O-N 3.36Å; V119-C121 VanDerWaalsContact C-N 3.32Å; V119-C121 PolarHBondContact O-N 3.25Å; V119-C122 PolarHBondContact O-N 2.84Å; V119-E123 PolarHBondContact O-N 2.8Å; V119-L130 HydrophobicContact CG1-CB 3.86Å; V119-L130 HydrophobicContact CG1-CD2 4.43Å; V119-L130 HydrophobicContact CG2-CB 4.44Å; V119-L130 HydrophobicContact CG2-CD2 3.82Å
120R93.2Very high92.6Very high108 Ų10872.9 Ų72.941%0.40835%0.348SS..Hα-helixtrans-64.6-36.1178.6-175.8-176.653.6-145.5-35.6112.3E76 K116 Y118 K124E76-R120 IonicContact OE1-CZ 3.36Å; E76-R120 IonicContact OE1-NH1 2.76Å; E76-R120 PolarHBondContact OE1-NH1 3.47Å; E76-R120 IonicContact OE1-NH2 3.18Å; E76-R120 PolarHBondContact OE1-NH2 3.34Å; E76-R120 IonicContact OE2-CZ 3.75Å; E76-R120 IonicContact OE2-NE 2.99Å; E76-R120 PolarHBondContact OE2-NE 2.99Å; E76-R120 IonicContact OE2-NH1 2.56Å; E76-R120 PolarHBondContact OE2-NH1 2.94Å; E76-R120 IonicContact OE2-NH2 3Å; E76-R120 PolarHBondContact OE2-NH2 3.49Å; E76-R120 VanDerWaalsContact OE2-NH2 3.09Å; K116-R120 WeakPolarHBondContact O-CB 3.41Å; K116-R120 PolarHBondContact O-N 3.02Å; Y118-R120 VanDerWaalsContact C-N 3.35Å; Y118-R120 PolarHBondContact O-N 2.86Å; R120-K124 WeakPolarHBondContact O-CB 3.33Å; R120-K124 PolarHBondContact O-N 2.92Å
121C91.2Very high92.9Very high3 Ų367.6 Ų67.62%0.0233%0.33CS..Hα-helixtrans-70.3-40.7177-70.20000112.1L44 C77 Q117 Y118 V119 K124 L125L44-C121 HydrophobicContact CD1-CB 4.29Å; C77-C121 WeakPolarHBondContact CA-SG 3.16Å; C77-C121 HydrophobicContact CB-CB 3.85Å; C77-C121 WeakPolarHBondContact CB-SG 3.34Å; C77-C121 WeakPolarHBondContact SG-CA 3.29Å; C77-C121 WeakPolarHBondContact SG-CB 3.41Å; C77-C121 CovalentContact SG-SG 2.04Å; C77-C121 PolarHBondContact SG-SG 3.14Å; Q117-C121 WeakPolarHBondContact O-CB 3.32Å; Q117-C121 PolarHBondContact O-N 2.79Å; Q117-C121 PolarHBondContact O-SG 2.67Å; Y118-C121 PolarHBondContact O-N 2.95Å; Y118-C121 VanDerWaalsContact O-N 3.08Å; V119-C121 VanDerWaalsContact C-N 3.32Å; V119-C121 PolarHBondContact O-N 3.25Å; C121-K124 PolarHBondContact O-N 3.26Å; C121-L125 HydrophobicContact CB-CD1 4.22Å; C121-L125 VanDerWaalsContact O-CB 3.23Å; C121-L125 WeakPolarHBondContact O-CB 3.27Å; C121-L125 VanDerWaalsContact O-CG 3.26Å; C121-L125 WeakPolarHBondContact O-CG 3.34Å; C121-L125 PolarHBondContact O-N 3.12Å
122C92.8Very high93.2Very high0 Ų067.1 Ų67.10%033%0.325CS..Hα-helixtrans-60-45.2172.3-68.90000111.8I106 Y118 V119 Y126 Q127 A128I106-C122 HydrophobicContact CD1-CB 3.54Å; Y118-C122 VanDerWaalsContact CE2-SG 3.51Å; Y118-C122 PolarHBondContact O-N 3.17Å; Y118-C122 PolarHBondContact O-SG 3.04Å; Y118-C122 VanDerWaalsContact O-SG 3.38Å; V119-C122 PolarHBondContact O-N 2.84Å; C122-Y126 CarbonylContact O-C 3.57Å; C122-Y126 WeakPolarHBondContact O-CA 3.26Å; C122-Y126 WeakPolarHBondContact O-CB 3.23Å; C122-Y126 PolarHBondContact O-N 3.04Å; C122-Q127 PolarHBondContact O-N 3.38Å; C122-A128 CarbonylContact C-O 3.34Å; C122-A128 HydrophobicContact CB-CB 4.32Å; C122-A128 PolarHBondContact O-N 3.21Å
123E93.9Very high93.5Very high88 Ų8862.5 Ų62.541%0.41130%0.301SS..Hα-helixtrans-65-44.4177.1-173.7169.3-16300111.6V119 Q127 A128 K129V119-E123 PolarHBondContact O-N 2.8Å; E123-Q127 WeakPolarHBondContact O-CA 3.19Å; E123-Q127 PolarHBondContact O-N 3.32Å; E123-A128 VanDerWaalsContact CA-O 3.32Å; E123-A128 WeakPolarHBondContact CA-O 3.18Å; E123-A128 PolarHBondContact N-O 3.45Å; E123-K129 HydrophobicContact CG-CG 4.33Å; E123-K129 WeakPolarHBondContact OE1-CE 3.35Å
124K91.4Very high93.5Very high95 Ų9557.8 Ų57.841%0.41327%0.266SS..Hα-helixtrans-66.6-44.7-179-177179.2-179.9-177.60113R88 R120 C121R88-K124 WeakPolarHBondContact CD-O 3.39Å; R88-K124 WeakPolarHBondContact CG-O 3.39Å; R120-K124 WeakPolarHBondContact O-CB 3.33Å; R120-K124 PolarHBondContact O-N 2.92Å; C121-K124 PolarHBondContact O-N 3.26Å
125L89.9Confident93.6Very high9 Ų958.5 Ų58.55%0.04727%0.27CS..Hα-helixtrans-91.6-33.2-169.2-61.1167000112.2L44 C77 H84 F87 R88 C121L44-L125 HydrophobicContact CD1-CD1 4.22Å; L44-L125 HydrophobicContact CD2-CD1 4.31Å; C77-L125 HydrophobicContact CB-CD1 3.74Å; C77-L125 HydrophobicContact CB-CG 4.37Å; H84-L125 HydrophobicContact CB-CD1 3.69Å; H84-L125 HydrophobicContact CB-CD2 4.39Å; H84-L125 HydrophobicContact CB-CG 4.46Å; F87-L125 CarbonylContact C-O 3.56Å; R88-L125 VanDerWaalsContact CA-O 3.27Å; R88-L125 WeakPolarHBondContact CA-O 3.37Å; R88-L125 PolarHBondContact N-O 3.26Å; R88-L125 VanDerWaalsContact N-O 3.09Å; C121-L125 HydrophobicContact CB-CD1 4.22Å; C121-L125 VanDerWaalsContact O-CB 3.23Å; C121-L125 WeakPolarHBondContact O-CB 3.27Å; C121-L125 VanDerWaalsContact O-CG 3.26Å; C121-L125 WeakPolarHBondContact O-CG 3.34Å; C121-L125 PolarHBondContact O-N 3.12Å
126Y91.9Very high93.6Very high0 Ų058.9 Ų58.90%027%0.271CS..Hα-helixtrans-119.90.7-173.2-60.4-88.6000113.8S40 M41 L44 H84 F87 I91 N104 C122 A128S40-Y126 WeakPolarHBondContact CB-OH 3.44Å; S40-Y126 PolarHBondContact O-OH 3.34Å; M41-Y126 HydrophobicContact CB-CE2 4.46Å; M41-Y126 HydrophobicContact CG-CD1 3.47Å; M41-Y126 VanDerWaalsContact CG-CD1 3.47Å; M41-Y126 HydrophobicContact CG-CD2 3.45Å; M41-Y126 VanDerWaalsContact CG-CD2 3.45Å; M41-Y126 HydrophobicContact CG-CE1 3.7Å; M41-Y126 HydrophobicContact CG-CE2 3.67Å; M41-Y126 HydrophobicContact CG-CG 3.29Å; M41-Y126 PolarHBondContact N-OH 2.91Å; M41-Y126 VanDerWaalsContact SD-CB 3.56Å; M41-Y126 HydrophobicContact SD-CD1 4.12Å; M41-Y126 HydrophobicContact SD-CD2 4.28Å; M41-Y126 HydrophobicContact SD-CG 3.75Å; L44-Y126 HydrophobicContact CD1-CD2 4.13Å; L44-Y126 HydrophobicContact CD1-CE2 3.55Å; L44-Y126 HydrophobicContact CG-CE2 4.19Å; H84-Y126 PolarHBondContact CE1-OH 3.18Å; H84-Y126 VanDerWaalsContact CE1-OH 3.3Å; H84-Y126 AromaticContact ND1-CZ 3.72Å; H84-Y126 PolarHBondContact ND1-OH 3.09Å; F87-Y126 HydrophobicContact CB-CD1 4.22Å; F87-Y126 HydrophobicContact CB-CE1 4.06Å; F87-Y126 HydrophobicContact CD2-CD1 4.22Å; F87-Y126 AromaticContact CD2-CE1 3.25Å; F87-Y126 HydrophobicContact CD2-CE1 3.25Å; F87-Y126 AromaticContact CD2-CZ 3.5Å; F87-Y126 WeakPolarHBondContact CD2-OH 3.38Å; F87-Y126 AromaticContact CE2-CE1 3.77Å; F87-Y126 HydrophobicContact CE2-CE1 3.77Å; F87-Y126 AromaticContact CE2-CZ 3.91Å; F87-Y126 WeakPolarHBondContact CE2-OH 3.38Å; F87-Y126 HydrophobicContact CG-CD1 4.39Å; F87-Y126 AromaticContact CG-CE1 3.79Å; F87-Y126 HydrophobicContact CG-CE1 3.79Å; I91-Y126 HydrophobicContact CD1-CD1 4.43Å; N104-Y126 PolarHBondContact ND2-O 3.44Å; C122-Y126 CarbonylContact O-C 3.57Å; C122-Y126 WeakPolarHBondContact O-CA 3.26Å; C122-Y126 WeakPolarHBondContact O-CB 3.23Å; C122-Y126 PolarHBondContact O-N 3.04Å; Y126-A128 PolarHBondContact O-N 2.79Å; Y126-A128 VanDerWaalsContact O-N 3.12Å
127Q93.6Very high93.8Very high79 Ų7957.1 Ų57.137%0.36927%0.27SS..  trans5724.3-172.9-52.2-178.59.400112.2I91 S92 C122 E123I91-Q127 HydrophobicContact CG2-CG 4.28Å; S92-Q127 PolarHBondContact OG-NE2 3.07Å; S92-Q127 VanDerWaalsContact OG-NE2 3.14Å; C122-Q127 PolarHBondContact O-N 3.38Å; E123-Q127 WeakPolarHBondContact O-CA 3.19Å; E123-Q127 PolarHBondContact O-N 3.32Å
128A95.6Very high94Very high0 Ų056.8 Ų56.80%027%0.274CS..  trans-93.2110.9-175.500000110.8M41 N104 I106 C122 E123 Y126M41-A128 HydrophobicContact SD-CB 3.62Å; N104-A128 HydrophobicContact CB-CB 3.59Å; N104-A128 WeakPolarHBondContact O-CA 3.47Å; I106-A128 HydrophobicContact CD1-CB 4.46Å; I106-A128 HydrophobicContact CG1-CB 4.35Å; C122-A128 CarbonylContact C-O 3.34Å; C122-A128 HydrophobicContact CB-CB 4.32Å; C122-A128 PolarHBondContact O-N 3.21Å; E123-A128 VanDerWaalsContact CA-O 3.32Å; E123-A128 WeakPolarHBondContact CA-O 3.18Å; E123-A128 PolarHBondContact N-O 3.45Å; Y126-A128 PolarHBondContact O-N 2.79Å; Y126-A128 VanDerWaalsContact O-N 3.12Å
129K95.2Very high94.2Very high122 Ų12258.2 Ų58.253%0.5329%0.287SS..EExtended strand (participates in β ladder)trans-86.4143.4175.3-68.1-176.6176.7-178.90111.1I106 E123I106-K129 PolarHBondContact N-O 3.38Å; E123-K129 HydrophobicContact CG-CG 4.33Å; E123-K129 WeakPolarHBondContact OE1-CE 3.35Å
130L96.1Very high94.4Very high50 Ų5061.2 Ų61.226%0.26230%0.299SS..EExtended strand (participates in β ladder)trans-78.2127.2168.4176.165.3000109.5I106 F114 V119I106-L130 HydrophobicContact CB-CD1 4.21Å; I106-L130 HydrophobicContact CG2-CD1 3.72Å; I106-L130 CarbonylContact O-C 3.59Å; I106-L130 WeakPolarHBondContact O-CA 3.49Å; F114-L130 HydrophobicContact CB-CD2 4.03Å; F114-L130 HydrophobicContact CD2-CD1 4.28Å; F114-L130 HydrophobicContact CD2-CD2 3.75Å; F114-L130 HydrophobicContact CE2-CD1 4.21Å; F114-L130 HydrophobicContact CE2-CD2 4.43Å; F114-L130 HydrophobicContact CG-CD2 3.87Å; F114-L130 HydrophobicContact CZ-CD1 4.35Å; V119-L130 HydrophobicContact CG1-CB 3.86Å; V119-L130 HydrophobicContact CG1-CD2 4.43Å; V119-L130 HydrophobicContact CG2-CB 4.44Å; V119-L130 HydrophobicContact CG2-CD2 3.82Å
131Q96.2Very high94.6Very high54 Ų5461.5 Ų61.525%0.25231%0.305SS..EExtended strand (participates in β ladder)trans-116.2118.3164.5-177.6-180-16.100108.6I106 Y107 G108 V133I106-Q131 PolarHBondContact O-N 3.34Å; Y107-Q131 WeakPolarHBondContact CA-O 3.4Å; Y107-Q131 HydrophobicContact CD1-CB 4.14Å; Y107-Q131 HydrophobicContact CD1-CG 4.39Å; Y107-Q131 HydrophobicContact CE1-CB 4.23Å; Y107-Q131 HydrophobicContact CE1-CG 4.32Å; Y107-Q131 VanDerWaalsContact CE1-OE1 3.28Å; G108-Q131 PolarHBondContact N-O 2.87Å; Q131-V133 HydrophobicContact CG-CG1 4.11Å
132T95.9Very high94.9Very high69 Ų6961.9 Ų61.942%0.42331%0.307SS..EExtended strand (participates in β ladder)trans-80.8126.8176.3-43.80000110.1G108 R110G108-T132 CarbonylContact O-C 3.56Å; G108-T132 VanDerWaalsContact O-CA 3.29Å; G108-T132 WeakPolarHBondContact O-CA 3.44Å; R110-T132 VanDerWaalsContact CA-CG2 3.48Å; R110-T132 HydrophobicContact CB-CG2 4.04Å; R110-T132 HydrophobicContact CG-CG2 3.44Å; R110-T132 VanDerWaalsContact CG-CG2 3.44Å
133V96.1Very high95.1Very high8 Ų867 Ų675%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-129.7163.9-177-65.40000110.9Y107 G108 R110 Q131 F135 T142Y107-V133 HydrophobicContact CD1-CG1 3.79Å; Y107-V133 HydrophobicContact CD1-CG2 4.41Å; Y107-V133 HydrophobicContact CE1-CG1 4.38Å; G108-V133 PolarHBondContact O-N 2.87Å; R110-V133 PolarHBondContact N-O 3.3Å; R110-V133 VanDerWaalsContact N-O 3.17Å; Q131-V133 HydrophobicContact CG-CG1 4.11Å; V133-F135 HydrophobicContact CG2-CD1 4.13Å; V133-F135 HydrophobicContact CG2-CD2 3.88Å; V133-F135 HydrophobicContact CG2-CE1 3.68Å; V133-F135 HydrophobicContact CG2-CE2 3.41Å; V133-F135 VanDerWaalsContact CG2-CE2 3.41Å; V133-F135 HydrophobicContact CG2-CG 4.22Å; V133-F135 HydrophobicContact CG2-CZ 3.31Å; V133-T142 HydrophobicContact CB-CG2 3.73Å; V133-T142 HydrophobicContact CG1-CG2 4.3Å; V133-T142 HydrophobicContact CG2-CG2 3.61Å
134D95.2Very high95.3Very high24 Ų2468.5 Ų68.513%0.12833%0.332CS..  trans-101.296.6178.6-163-28.4000109.3R110 E136 L137 S138 T142R110-D134 IonicContact NH1-OD2 2.83Å; D134-E136 VanDerWaalsContact C-N 3.3Å; D134-E136 PolarHBondContact OD1-N 3.1Å; D134-E136 VanDerWaalsContact OD1-N 3.11Å; D134-L137 PolarHBondContact OD1-N 2.95Å; D134-S138 CarbonylContact O-C 3.54Å; D134-T142 PolarHBondContact O-OG1 2.97Å
135F95.7Very high95.6Very high80 Ų8066.3 Ų66.335%0.35133%0.329SS..THydrogen-bonded Turntrans-78.5-16.7178.4-70.5-61.8000112.7V133 T139 T142 I146V133-F135 HydrophobicContact CG2-CD1 4.13Å; V133-F135 HydrophobicContact CG2-CD2 3.88Å; V133-F135 HydrophobicContact CG2-CE1 3.68Å; V133-F135 HydrophobicContact CG2-CE2 3.41Å; V133-F135 VanDerWaalsContact CG2-CE2 3.41Å; V133-F135 HydrophobicContact CG2-CG 4.22Å; V133-F135 HydrophobicContact CG2-CZ 3.31Å; F135-T139 PolarHBondContact O-OG1 3.41Å; F135-T142 HydrophobicContact CD1-CG2 3.57Å; F135-T142 HydrophobicContact CE1-CG2 3.46Å; F135-T142 VanDerWaalsContact CE1-CG2 3.46Å; F135-T142 HydrophobicContact CZ-CG2 4.37Å; F135-I146 HydrophobicContact CE1-CD1 4.05Å
136E93.9Very high96Very high134 Ų13467.8 Ų67.863%0.62634%0.336SS*.THydrogen-bonded Turntrans-96.5-49.2-171.5-65.7173.9-148.100111.8S111 D134S111-E136 PolarHBondContact OG-OE1 3.21Å; S111-E136 VanDerWaalsContact OG-OE1 3.07Å; D134-E136 VanDerWaalsContact C-N 3.3Å; D134-E136 PolarHBondContact OD1-N 3.1Å; D134-E136 VanDerWaalsContact OD1-N 3.11Å
137L95.6Very high96.3Very high149 Ų14971.9 Ų71.978%0.7836%0.358SS*.THydrogen-bonded Turntrans-99.8-18.6-174.6-58.7177.1000113.7D134D134-L137 PolarHBondContact OD1-N 2.95Å
138S95.2Very high96.4Very high44 Ų4470.5 Ų70.531%0.30836%0.36SS..  trans-134.345.2-176.7-51.60000111.8D134 E140 E141 T142D134-S138 CarbonylContact O-C 3.54Å; S138-E140 PolarHBondContact O-N 3.37Å; S138-E141 PolarHBondContact O-N 3.49Å; S138-T142 VanDerWaalsContact O-CB 3.27Å; S138-T142 WeakPolarHBondContact O-CB 3.41Å; S138-T142 PolarHBondContact O-N 3.24Å; S138-T142 PolarHBondContact O-OG1 3.41Å
139T96.1Very high96.5Very high77 Ų7774 Ų7447%0.47237%0.373SS..Hα-helixtrans-57.5-46.1-173.2-45.10000112.9F135 T142 R143F135-T139 PolarHBondContact O-OG1 3.41Å; T139-T142 PolarHBondContact O-N 3.1Å; T139-R143 WeakPolarHBondContact O-CB 3.02Å; T139-R143 PolarHBondContact O-N 2.82Å
140E97.9Very high96.5Very high92 Ų9273 Ų7343%0.4338%0.377SS..Hα-helixtrans-71.4-39-177.7-83.3-56.1116.900112.6S138 R143 K144S138-E140 PolarHBondContact O-N 3.37Å; E140-R143 PolarHBondContact O-N 2.89Å; E140-R143 IonicContact OE1-NE 3.63Å; E140-R143 PolarHBondContact OE1-NE 3.35Å; E140-R143 IonicContact OE2-CZ 4Å; E140-R143 IonicContact OE2-NE 3.61Å; E140-R143 PolarHBondContact OE2-NE 3.04Å; E140-R143 IonicContact OE2-NH2 3.19Å; E140-R143 PolarHBondContact OE2-NH2 3.23Å; E140-K144 WeakPolarHBondContact O-CB 3.45Å; E140-K144 VanDerWaalsContact O-CG 3.3Å; E140-K144 WeakPolarHBondContact O-CG 3.06Å; E140-K144 PolarHBondContact O-N 3.33Å
141E97.4Very high96.4Very high115 Ų11579.3 Ų79.354%0.53740%0.402SS..Hα-helixtrans-63.3-44.5173.2-67.668.2-150.500110.6S138 K144 S145S138-E141 PolarHBondContact O-N 3.49Å; E141-K144 PolarHBondContact O-N 2.97Å; E141-S145 WeakPolarHBondContact O-CB 3.19Å; E141-S145 PolarHBondContact O-N 2.81Å
142T97.5Very high95.5Very high10 Ų1085.6 Ų85.66%0.06144%0.438CS..Hα-helixtrans-60.7-46.7176.1-700000111V133 D134 F135 S138 T139 K144 S145 I146V133-T142 HydrophobicContact CB-CG2 3.73Å; V133-T142 HydrophobicContact CG1-CG2 4.3Å; V133-T142 HydrophobicContact CG2-CG2 3.61Å; D134-T142 PolarHBondContact O-OG1 2.97Å; F135-T142 HydrophobicContact CD1-CG2 3.57Å; F135-T142 HydrophobicContact CE1-CG2 3.46Å; F135-T142 VanDerWaalsContact CE1-CG2 3.46Å; F135-T142 HydrophobicContact CZ-CG2 4.37Å; S138-T142 VanDerWaalsContact O-CB 3.27Å; S138-T142 WeakPolarHBondContact O-CB 3.41Å; S138-T142 PolarHBondContact O-N 3.24Å; S138-T142 PolarHBondContact O-OG1 3.41Å; T139-T142 PolarHBondContact O-N 3.1Å; T142-K144 PolarHBondContact O-N 3.15Å; T142-S145 PolarHBondContact O-N 3.31Å; T142-I146 HydrophobicContact CG2-CD1 3.88Å; T142-I146 WeakPolarHBondContact O-CG1 3.38Å; T142-I146 PolarHBondContact O-N 2.82Å
143R97.8Very high95.5Very high107 Ų10786.4 Ų86.440%0.40444%0.439SS..Hα-helixtrans-58.9-46.4175.5-173-167.364.375-2.1111.6T139 E140 S145 I146 N147T139-R143 WeakPolarHBondContact O-CB 3.02Å; T139-R143 PolarHBondContact O-N 2.82Å; E140-R143 PolarHBondContact O-N 2.89Å; E140-R143 IonicContact OE1-NE 3.63Å; E140-R143 PolarHBondContact OE1-NE 3.35Å; E140-R143 IonicContact OE2-CZ 4Å; E140-R143 IonicContact OE2-NE 3.61Å; E140-R143 PolarHBondContact OE2-NE 3.04Å; E140-R143 IonicContact OE2-NH2 3.19Å; E140-R143 PolarHBondContact OE2-NH2 3.23Å; R143-S145 VanDerWaalsContact C-N 3.33Å; R143-S145 PolarHBondContact O-N 3.04Å; R143-I146 PolarHBondContact O-N 3.08Å; R143-N147 PolarHBondContact NH1-ND2 3.29Å; R143-N147 WeakPolarHBondContact O-CB 3.18Å; R143-N147 PolarHBondContact O-N 2.94Å
144K97.9Very high95.5Very high120 Ų12090.5 Ų90.552%0.52246%0.459SS..Hα-helixtrans-61.5-40.8176.1-73.8172-174.8170.70111.6E140 E141 T142 N147 A148E140-K144 WeakPolarHBondContact O-CB 3.45Å; E140-K144 VanDerWaalsContact O-CG 3.3Å; E140-K144 WeakPolarHBondContact O-CG 3.06Å; E140-K144 PolarHBondContact O-N 3.33Å; E141-K144 PolarHBondContact O-N 2.97Å; T142-K144 PolarHBondContact O-N 3.15Å; K144-N147 PolarHBondContact O-N 3.16Å; K144-A148 VanDerWaalsContact O-CB 3.24Å; K144-A148 WeakPolarHBondContact O-CB 3.32Å; K144-A148 PolarHBondContact O-N 2.04Å
145S96.9Very high95.5Very high50 Ų5094.2 Ų94.235%0.3548%0.477SS..Hα-helixtrans-65.3-41.2177.4-179.20000112.6E141 T142 R143 W149E141-S145 WeakPolarHBondContact O-CB 3.19Å; E141-S145 PolarHBondContact O-N 2.81Å; T142-S145 PolarHBondContact O-N 3.31Å; R143-S145 VanDerWaalsContact C-N 3.33Å; R143-S145 PolarHBondContact O-N 3.04Å; S145-W149 PolarHBondContact O-N 3.49Å; S145-W149 VanDerWaalsContact O-N 3.1Å
146I97.8Very high95.5Very high40 Ų4095.1 Ų95.121%0.20549%0.485CS..Hα-helixtrans-64-49.3175.3-67.8161.9000109.7Y107 F135 T142 R143 A148 W149 V150Y107-I146 HydrophobicContact CD1-CD1 4.24Å; Y107-I146 HydrophobicContact CD1-CG1 3.71Å; Y107-I146 HydrophobicContact CD2-CD1 4.32Å; Y107-I146 HydrophobicContact CD2-CG1 3.87Å; Y107-I146 HydrophobicContact CD2-CG2 4.47Å; Y107-I146 HydrophobicContact CE1-CG1 3.61Å; Y107-I146 HydrophobicContact CE2-CB 4.36Å; Y107-I146 HydrophobicContact CE2-CG1 3.8Å; Y107-I146 HydrophobicContact CE2-CG2 4.08Å; Y107-I146 HydrophobicContact CG-CD1 4.06Å; Y107-I146 HydrophobicContact CG-CG1 3.81Å; F135-I146 HydrophobicContact CE1-CD1 4.05Å; T142-I146 HydrophobicContact CG2-CD1 3.88Å; T142-I146 WeakPolarHBondContact O-CG1 3.38Å; T142-I146 PolarHBondContact O-N 2.82Å; R143-I146 PolarHBondContact O-N 3.08Å; I146-A148 VanDerWaalsContact C-N 3.31Å; I146-A148 PolarHBondContact O-N 3.05Å; I146-W149 WeakPolarHBondContact O-CB 3.45Å; I146-W149 PolarHBondContact O-N 3.18Å; I146-V150 HydrophobicContact CG2-CG2 4.46Å; I146-V150 WeakPolarHBondContact O-CG2 3.13Å; I146-V150 PolarHBondContact O-N 3.41Å
147N97.9Very high95.6Very high86 Ų8692.6 Ų92.646%0.4648%0.476SS..Hα-helixtrans-62.2-38.5179.9-733000112.4R143 K144 W149 V150 K151R143-N147 PolarHBondContact NH1-ND2 3.29Å; R143-N147 WeakPolarHBondContact O-CB 3.18Å; R143-N147 PolarHBondContact O-N 2.94Å; K144-N147 PolarHBondContact O-N 3.16Å; N147-W149 VanDerWaalsContact C-N 3.3Å; N147-W149 PolarHBondContact O-N 2.63Å; N147-V150 PolarHBondContact O-N 2.56Å; N147-K151 WeakPolarHBondContact O-CB 3.35Å; N147-K151 PolarHBondContact O-N 3.09Å
148A97.3Very high95.6Very high50 Ų5088.9 Ų88.941%0.41346%0.456SS..Hα-helixtrans-65.5-33.8175.100000112.1K144 I146 N152K144-A148 VanDerWaalsContact O-CB 3.24Å; K144-A148 WeakPolarHBondContact O-CB 3.32Å; K144-A148 PolarHBondContact O-N 2.04Å; I146-A148 VanDerWaalsContact C-N 3.31Å; I146-A148 PolarHBondContact O-N 3.05Å; A148-N152 PolarHBondContact O-ND2 2.95Å
149W96.6Very high95.6Very high72 Ų7292.1 Ų92.127%0.27347%0.466SS..Hα-helixtrans-70.3-43173.9-179.474.9000112A103 R105 Y107 S145 I146 N147 K151 N152A103-W149 HydrophobicContact CB-CH2 4.12Å; A103-W149 HydrophobicContact CB-CZ2 3.96Å; R105-W149 HydrophobicContact CB-CD2 4.37Å; R105-W149 HydrophobicContact CB-CE3 4.27Å; R105-W149 HydrophobicContact CB-CH2 3.59Å; R105-W149 HydrophobicContact CB-CZ2 3.67Å; R105-W149 HydrophobicContact CB-CZ3 3.91Å; Y107-W149 HydrophobicContact CE2-CE3 4.29Å; Y107-W149 WeakPolarHBondContact OH-CB 3.48Å; S145-W149 PolarHBondContact O-N 3.49Å; S145-W149 VanDerWaalsContact O-N 3.1Å; I146-W149 WeakPolarHBondContact O-CB 3.45Å; I146-W149 PolarHBondContact O-N 3.18Å; N147-W149 VanDerWaalsContact C-N 3.3Å; N147-W149 PolarHBondContact O-N 2.63Å; W149-K151 VanDerWaalsContact C-N 3.29Å; W149-K151 PolarHBondContact O-N 3.09Å; W149-N152 PolarHBondContact O-N 2.98Å
150V94.9Very high95.6Very high101 Ų10193.2 Ų93.261%0.61247%0.466SS*.Hα-helixtrans-66.1-31.4178.6174.80000112.4I146 N147 N152I146-V150 HydrophobicContact CG2-CG2 4.46Å; I146-V150 WeakPolarHBondContact O-CG2 3.13Å; I146-V150 PolarHBondContact O-N 3.41Å; N147-V150 PolarHBondContact O-N 2.56Å; V150-N152 VanDerWaalsContact C-N 3.32Å; V150-N152 PolarHBondContact O-N 2.83Å
151K94.3Very high95.4Very high183 Ų18393.3 Ų93.380%0.79647%0.469SS*.Hα-helixtrans-69.7-25.9-179.7180178.6174.5-174.70113.7N147 W149N147-K151 WeakPolarHBondContact O-CB 3.35Å; N147-K151 PolarHBondContact O-N 3.09Å; W149-K151 VanDerWaalsContact C-N 3.29Å; W149-K151 PolarHBondContact O-N 3.09Å
152N77.9Confident95.2Very high186 Ų18691.4 Ų91.4100%0.99546%0.463SS*.  trans-99.50-172.8-69.4-43.5000111.6A148 W149 V150A148-N152 PolarHBondContact O-ND2 2.95Å; W149-N152 PolarHBondContact O-N 2.98Å; V150-N152 VanDerWaalsContact C-N 3.32Å; V150-N152 PolarHBondContact O-N 2.83Å

Retrieved 152 of 152 residues in 75.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).