A0A060WDS2_ONCMY Loading...

Vacuolar protein sorting-associated protein VTA1 homolog

AlphaFold DB , UniProt , Accession A0A060WDS2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 322 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
1M60.1Low87.9Confident146 Ų14666.6 Ų66.672%0.71938%0.384SS*.  0139.90-177.1133.5155.400108.3K51 F52 Q55M1-K51 HydrophobicContact CE-CD 4.4Å; M1-K51 HydrophobicContact CE-CG 4.26Å; M1-F52 HydrophobicContact CE-CB 4.35Å; M1-F52 HydrophobicContact CE-CD2 4.35Å; M1-F52 HydrophobicContact CG-CD2 4.33Å; M1-Q55 PolarHBondContact SD-OE1 3.45Å
2A80.8Confident88.4Confident88 Ų8865.6 Ų65.673%0.72737%0.373SS*.PPolyproline II helixtrans-71.4133.5176.200000109.7
3L87.6Confident88.9Confident46 Ų4662.2 Ų62.224%0.24135%0.35CS..PPolyproline II helixtrans-73126.4173-176.870.6000108.6L7 I10 Q11 L14 F52L3-L7 HydrophobicContact CD1-CB 3.87Å; L3-L7 HydrophobicContact CG-CB 4.27Å; L3-I10 HydrophobicContact CD1-CD1 4.48Å; L3-I10 HydrophobicContact CD1-CG1 4.38Å; L3-Q11 HydrophobicContact CD2-CB 3.4Å; L3-Q11 HydrophobicContact CD2-CG 3.67Å; L3-L14 HydrophobicContact CD1-CD1 3.84Å; L3-F52 HydrophobicContact CD1-CD1 4.41Å; L3-F52 HydrophobicContact CD1-CE1 3.76Å; L3-F52 HydrophobicContact CD1-CE2 3.99Å; L3-F52 HydrophobicContact CD1-CZ 3.53Å
4P90.3Very high89.4Confident14 Ų1459.2 Ų59.29%0.09133%0.333CS..PPolyproline II helixtrans-58143174.6-25.735.3000111.9Q6 L7 F52P4-Q6 PolarHBondContact O-N 2.89Å; P4-L7 HydrophobicContact CB-CG 4.45Å; P4-L7 HydrophobicContact CG-CD1 4.24Å; P4-L7 PolarHBondContact O-N 3.37Å; P4-F52 HydrophobicContact CG-CB 4.13Å; P4-F52 HydrophobicContact CG-CG 4.45Å
5P91.1Very high89.8Confident108 Ų10863.5 Ų63.570%0.70134%0.342SS*.G310 helixtrans-55.1-35.2-179.8-26.533.9000114L7 K8P5-L7 PolarHBondContact O-N 3.39Å; P5-K8 VanDerWaalsContact O-CB 3.3Å; P5-K8 WeakPolarHBondContact O-CB 3.29Å; P5-K8 PolarHBondContact O-N 3.23Å
6Q90.6Very high90.1Very high101 Ų10159.9 Ų59.947%0.47232%0.323SS..G310 helixtrans-64-23.4178.5-6377.55.200112.4P4 D43P4-Q6 PolarHBondContact O-N 2.89Å; Q6-D43 HydrophobicContact CB-CB 4.23Å
7L92.3Very high90.4Very high0 Ų056.4 Ų56.40%030%0.304CS..G310 helixtrans-101.915.1-179-60.4-176.1000112.3L3 P4 P5 A9 I10 L42 C49 F52 L53L3-L7 HydrophobicContact CD1-CB 3.87Å; L3-L7 HydrophobicContact CG-CB 4.27Å; P4-L7 HydrophobicContact CB-CG 4.45Å; P4-L7 HydrophobicContact CG-CD1 4.24Å; P4-L7 PolarHBondContact O-N 3.37Å; P5-L7 PolarHBondContact O-N 3.39Å; L7-A9 PolarHBondContact O-N 2.96Å; L7-A9 VanDerWaalsContact O-N 3.17Å; L7-I10 HydrophobicContact CB-CD1 4.08Å; L7-I10 HydrophobicContact CB-CG1 3.93Å; L7-I10 HydrophobicContact CD1-CD1 4.37Å; L7-I10 WeakPolarHBondContact O-CG1 3.43Å; L7-I10 PolarHBondContact O-N 2.93Å; L7-L42 HydrophobicContact CD2-CB 4.18Å; L7-L42 HydrophobicContact CD2-CD1 4.45Å; L7-C49 HydrophobicContact CD1-CB 4.28Å; L7-F52 HydrophobicContact CD1-CB 4.46Å; L7-F52 HydrophobicContact CD1-CD1 3.66Å; L7-F52 HydrophobicContact CD1-CE1 4.31Å; L7-F52 HydrophobicContact CD1-CG 4.3Å; L7-L53 HydrophobicContact CD1-CD2 4.32Å; L7-L53 HydrophobicContact CD1-CG 4.39Å
8K93.1Very high90.6Very high100 Ų10060.2 Ų60.244%0.43532%0.319SS..G310 helixtrans-57.7-32.5-179.2-171.3175.6177.1-175.60113P5 I10 Q11 G172P5-K8 VanDerWaalsContact O-CB 3.3Å; P5-K8 WeakPolarHBondContact O-CB 3.29Å; P5-K8 PolarHBondContact O-N 3.23Å; K8-I10 PolarHBondContact O-N 3.37Å; K8-Q11 WeakPolarHBondContact O-CB 3.3Å; K8-Q11 PolarHBondContact O-N 3.32Å; K8-G172 WeakPolarHBondContact CE-O 3.32Å; K8-G172 PolarHBondContact NZ-O 2.56Å
9A92.2Very high90.7Very high64 Ų6461.9 Ų61.953%0.52933%0.326SS..G310 helixtrans-61-27.7177.100000113.5L7 L42L7-A9 PolarHBondContact O-N 2.96Å; L7-A9 VanDerWaalsContact O-N 3.17Å; A9-L42 HydrophobicContact CB-CD1 3.9Å
10I94.4Very high90.8Very high0 Ų059.2 Ų59.20%031%0.311CS..G310 helixtrans-89.5-2.8177.563.4162.8000113.5L3 L7 K8 H12 Y13 L14 A35 T38 L42 F52L3-I10 HydrophobicContact CD1-CD1 4.48Å; L3-I10 HydrophobicContact CD1-CG1 4.38Å; L7-I10 HydrophobicContact CB-CD1 4.08Å; L7-I10 HydrophobicContact CB-CG1 3.93Å; L7-I10 HydrophobicContact CD1-CD1 4.37Å; L7-I10 WeakPolarHBondContact O-CG1 3.43Å; L7-I10 PolarHBondContact O-N 2.93Å; K8-I10 PolarHBondContact O-N 3.37Å; I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 2.76Å; I10-Y13 PolarHBondContact O-N 2.75Å; I10-L14 HydrophobicContact CD1-CD1 4.05Å; I10-L14 HydrophobicContact CG1-CD1 4.24Å; I10-L14 WeakPolarHBondContact O-CG 3.23Å; I10-L14 PolarHBondContact O-N 3.23Å; I10-A35 HydrophobicContact CB-CB 4.09Å; I10-A35 HydrophobicContact CD1-CB 4.29Å; I10-A35 WeakPolarHBondContact CD1-O 3.4Å; I10-T38 HydrophobicContact CG2-CG2 3.64Å; I10-L42 HydrophobicContact CG2-CD1 4.21Å; I10-F52 HydrophobicContact CD1-CE1 4.26Å
11Q94.3Very high90.9Very high66 Ų6660.7 Ų60.731%0.30832%0.317SS..Hα-helixtrans-58.7-43.1-173.7-172.3173.52.600112.9L3 K8 L14 R15L3-Q11 HydrophobicContact CD2-CB 3.4Å; L3-Q11 HydrophobicContact CD2-CG 3.67Å; K8-Q11 WeakPolarHBondContact O-CB 3.3Å; K8-Q11 PolarHBondContact O-N 3.32Å; Q11-L14 PolarHBondContact O-N 3.41Å; Q11-R15 PolarHBondContact O-N 3.3Å
12H93.6Very high92.4Very high54 Ų5463.3 Ų63.325%0.2532%0.324CS..Hα-helixtrans-67.2-41-175.6-66.1-80.5000111.4I10 L14 R15 T16 Y112 L116I10-H12 VanDerWaalsContact C-N 3.33Å; I10-H12 PolarHBondContact O-N 2.76Å; H12-L14 PolarHBondContact O-N 3.07Å; H12-R15 PolarHBondContact O-N 3.37Å; H12-T16 PolarHBondContact O-N 2.94Å; H12-T16 PolarHBondContact O-OG1 2.85Å; H12-T16 VanDerWaalsContact O-OG1 3.09Å; H12-Y112 PolarHBondContact ND1-OH 3.43Å; H12-L116 HydrophobicContact CB-CD1 4.01Å; H12-L116 HydrophobicContact CB-CD2 4.32Å
13Y95.9Very high92.9Very high21 Ų2164.7 Ų64.78%0.08231%0.31CS..Hα-helixtrans-63.1-41.3175.1-55.9-83.4000112.5I10 R15 T16 A17 Y34 L116 D119 V120I10-Y13 PolarHBondContact O-N 2.75Å; Y13-R15 VanDerWaalsContact C-N 3.34Å; Y13-R15 PolarHBondContact O-N 3.09Å; Y13-T16 PolarHBondContact O-N 3.37Å; Y13-A17 PolarHBondContact O-N 2.86Å; Y13-Y34 AromaticContact CD1-CD1 3.63Å; Y13-Y34 HydrophobicContact CD1-CD1 3.63Å; Y13-Y34 AromaticContact CD1-CE1 3.8Å; Y13-Y34 HydrophobicContact CD1-CE1 3.8Å; Y13-Y34 HydrophobicContact CD2-CD1 4.18Å; Y13-Y34 AromaticContact CD2-CE1 3.97Å; Y13-Y34 HydrophobicContact CD2-CE1 3.97Å; Y13-Y34 AromaticContact CE1-CD1 3.77Å; Y13-Y34 HydrophobicContact CE1-CD1 3.77Å; Y13-Y34 AromaticContact CE1-CE1 3.46Å; Y13-Y34 HydrophobicContact CE1-CE1 3.46Å; Y13-Y34 VanDerWaalsContact CE1-CE1 3.46Å; Y13-Y34 HydrophobicContact CE2-CD1 4.3Å; Y13-Y34 AromaticContact CE2-CE1 3.65Å; Y13-Y34 HydrophobicContact CE2-CE1 3.65Å; Y13-Y34 AromaticContact CG-CD1 3.83Å; Y13-Y34 HydrophobicContact CG-CD1 3.83Å; Y13-Y34 HydrophobicContact CG-CE1 4.03Å; Y13-Y34 AromaticContact CZ-CE1 3.37Å; Y13-L116 HydrophobicContact CD1-CB 4.3Å; Y13-L116 HydrophobicContact CD1-CD2 4.36Å; Y13-L116 HydrophobicContact CE1-CB 4.08Å; Y13-L116 HydrophobicContact CE1-CD2 3.81Å; Y13-L116 HydrophobicContact CE2-CD2 4.4Å; Y13-D119 HydrophobicContact CE1-CB 3.84Å; Y13-D119 WeakPolarHBondContact OH-CB 3.3Å; Y13-D119 PolarHBondContact OH-OD2 2.73Å; Y13-D119 VanDerWaalsContact OH-OD2 3.07Å; Y13-V120 HydrophobicContact CD1-CG2 3.88Å; Y13-V120 HydrophobicContact CE1-CG2 4.3Å
14L95.9Very high93.2Very high21 Ų2163.6 Ų63.611%0.1130%0.304CS..Hα-helixtrans-66.2-37.1176.8-67.7173.2000112.2L3 I10 Q11 H12 A17 Q18 R32 A35 F52 L56L3-L14 HydrophobicContact CD1-CD1 3.84Å; I10-L14 HydrophobicContact CD1-CD1 4.05Å; I10-L14 HydrophobicContact CG1-CD1 4.24Å; I10-L14 WeakPolarHBondContact O-CG 3.23Å; I10-L14 PolarHBondContact O-N 3.23Å; Q11-L14 PolarHBondContact O-N 3.41Å; H12-L14 PolarHBondContact O-N 3.07Å; L14-A17 WeakPolarHBondContact O-CB 3.43Å; L14-A17 PolarHBondContact O-N 2.96Å; L14-Q18 WeakPolarHBondContact O-CG 3.34Å; L14-Q18 PolarHBondContact O-N 3.45Å; L14-Q18 VanDerWaalsContact O-N 3.12Å; L14-R32 HydrophobicContact CD2-CG 4.49Å; L14-A35 HydrophobicContact CD2-CB 3.67Å; L14-A35 HydrophobicContact CG-CB 3.96Å; L14-F52 HydrophobicContact CD1-CE1 4.01Å; L14-F52 HydrophobicContact CD1-CZ 3.68Å; L14-L56 HydrophobicContact CD2-CD1 3.9Å; L14-L56 HydrophobicContact CD2-CD2 4.15Å
15R94.8Very high93.4Very high124 Ų12465.4 Ų65.447%0.46832%0.316SS..Hα-helixtrans-65.4-45.9173.5-173-178.9-61.8170.13.2110.9Q11 H12 Y13 A17 Q18 E19Q11-R15 PolarHBondContact O-N 3.3Å; H12-R15 PolarHBondContact O-N 3.37Å; Y13-R15 VanDerWaalsContact C-N 3.34Å; Y13-R15 PolarHBondContact O-N 3.09Å; R15-A17 VanDerWaalsContact C-N 3.27Å; R15-A17 PolarHBondContact O-N 3.44Å; R15-Q18 WeakPolarHBondContact O-CB 3.39Å; R15-Q18 PolarHBondContact O-N 3.41Å; R15-Q18 VanDerWaalsContact O-N 3.16Å; R15-E19 WeakPolarHBondContact O-CG 3.42Å; R15-E19 PolarHBondContact O-N 3.27Å
16T94.3Very high93.6Very high6 Ų660.4 Ų60.44%0.03728%0.284CS..Hα-helixtrans-58.5-40.4175-59.50000111.3H12 Y13 Q18 E19 H20 T113H12-T16 PolarHBondContact O-N 2.94Å; H12-T16 PolarHBondContact O-OG1 2.85Å; H12-T16 VanDerWaalsContact O-OG1 3.09Å; Y13-T16 PolarHBondContact O-N 3.37Å; T16-Q18 PolarHBondContact O-N 2.91Å; T16-E19 PolarHBondContact O-N 3.44Å; T16-H20 PolarHBondContact O-N 3.41Å; T16-H20 VanDerWaalsContact O-N 3.16Å; T16-H20 PolarHBondContact O-ND1 3.01Å; T16-T113 HydrophobicContact CG2-CG2 3.64Å
17A95.4Very high93.8Very high0 Ų055.6 Ų55.60%026%0.261CS..Hα-helixtrans-59.5-46.4175.200000112.3Y13 L14 R15 E19 H20 E21 A28 C31 R32Y13-A17 PolarHBondContact O-N 2.86Å; L14-A17 WeakPolarHBondContact O-CB 3.43Å; L14-A17 PolarHBondContact O-N 2.96Å; R15-A17 VanDerWaalsContact C-N 3.27Å; R15-A17 PolarHBondContact O-N 3.44Å; A17-E19 VanDerWaalsContact C-N 3.32Å; A17-E19 PolarHBondContact O-N 2.83Å; A17-H20 CarbonylContact O-C 3.55Å; A17-H20 PolarHBondContact O-N 2.88Å; A17-H20 VanDerWaalsContact O-N 3.11Å; A17-E21 PolarHBondContact O-N 3.44Å; A17-A28 HydrophobicContact CB-CB 4.49Å; A17-A28 VanDerWaalsContact O-CB 3.29Å; A17-A28 WeakPolarHBondContact O-CB 3.4Å; A17-C31 HydrophobicContact CB-CB 3.72Å; A17-R32 HydrophobicContact CB-CG 3.86Å
18Q94.4Very high94Very high124 Ų12455.6 Ų55.658%0.57926%0.261SS*.Hα-helixtrans-61.2-39.5177.6-711706.500112.4L14 R15 T16 H20 E21L14-Q18 WeakPolarHBondContact O-CG 3.34Å; L14-Q18 PolarHBondContact O-N 3.45Å; L14-Q18 VanDerWaalsContact O-N 3.12Å; R15-Q18 WeakPolarHBondContact O-CB 3.39Å; R15-Q18 PolarHBondContact O-N 3.41Å; R15-Q18 VanDerWaalsContact O-N 3.16Å; T16-Q18 PolarHBondContact O-N 2.91Å; Q18-H20 PolarHBondContact O-N 2.7Å; Q18-E21 PolarHBondContact O-N 3.03Å
19E91.9Very high94.2Very high94 Ų9451.8 Ų51.844%0.43924%0.244SC..Hα-helixtrans-65.2-26.8176.9-70173.5177.400112.7R15 T16 A17R15-E19 WeakPolarHBondContact O-CG 3.42Å; R15-E19 PolarHBondContact O-N 3.27Å; T16-E19 PolarHBondContact O-N 3.44Å; A17-E19 VanDerWaalsContact C-N 3.32Å; A17-E19 PolarHBondContact O-N 2.83Å
20H93.7Very high94.4Very high6 Ų649.2 Ų49.23%0.02822%0.221CC..Hα-helixtrans-99.2-11-177.9-67.877000113.9T16 A17 Q18 K22 R23 D24 V27 A28 Y86T16-H20 PolarHBondContact O-N 3.41Å; T16-H20 VanDerWaalsContact O-N 3.16Å; T16-H20 PolarHBondContact O-ND1 3.01Å; A17-H20 CarbonylContact O-C 3.55Å; A17-H20 PolarHBondContact O-N 2.88Å; A17-H20 VanDerWaalsContact O-N 3.11Å; Q18-H20 PolarHBondContact O-N 2.7Å; H20-K22 PolarHBondContact O-N 3.39Å; H20-R23 PolarHBondContact O-N 3.31Å; H20-D24 CarbonylContact O-C 3.48Å; H20-D24 PolarHBondContact O-N 2.9Å; H20-V27 HydrophobicContact CB-CB 4.15Å; H20-V27 HydrophobicContact CB-CG1 3.97Å; H20-A28 HydrophobicContact CB-CB 4.26Å; H20-Y86 AromaticContact CD2-CE1 3.65Å; H20-Y86 AromaticContact CD2-CZ 3.71Å; H20-Y86 PolarHBondContact CD2-OH 2.63Å; H20-Y86 AromaticContact NE2-CE1 3.36Å; H20-Y86 WeakPolarHBondContact NE2-CE1 3.35Å; H20-Y86 AromaticContact NE2-CZ 3.5Å; H20-Y86 PolarHBondContact NE2-OH 3.28Å
21E92.2Very high94.6Very high92 Ų9249.3 Ų49.343%0.4322%0.221SC..THydrogen-bonded Turntrans-47.1-41.4-178.5-82.5-178.6175.700114.4A17 Q18 A28 R32A17-E21 PolarHBondContact O-N 3.44Å; Q18-E21 PolarHBondContact O-N 3.03Å; E21-A28 HydrophobicContact CG-CB 4.33Å; E21-R32 IonicContact OE1-CZ 3.08Å; E21-R32 IonicContact OE1-NH1 3.56Å; E21-R32 IonicContact OE1-NH2 3.14Å; E21-R32 PolarHBondContact OE1-NH2 2.6Å
22K91.3Very high94.7Very high201 Ų20146.5 Ų46.587%0.87421%0.208SC*.THydrogen-bonded Turntrans-93.9-25-179.3-64.1-176.9-179.1179.30113.9H20H20-K22 PolarHBondContact O-N 3.39Å
23R92.1Very high94.8Very high117 Ų11745.8 Ų45.844%0.44221%0.206SC..THydrogen-bonded Turntrans-88.2-44.7-174.4-67.7-176-178.2164.78.1111.3H20 N232 I234H20-R23 PolarHBondContact O-N 3.31Å; R23-N232 PolarHBondContact NH2-O 3.31Å; R23-I234 PolarHBondContact NH1-O 3.22Å
24D93.6Very high94.9Very high22 Ų2246.2 Ų46.212%0.11821%0.207CC..  trans-151.492.5-179.1-167.2-36.6000109.4H20 V26 V27 A28 H82H20-D24 CarbonylContact O-C 3.48Å; H20-D24 PolarHBondContact O-N 2.9Å; D24-V26 PolarHBondContact O-N 3.09Å; D24-V26 VanDerWaalsContact OD1-CB 3.31Å; D24-V26 WeakPolarHBondContact OD1-CB 3.44Å; D24-V26 PolarHBondContact OD1-N 3.45Å; D24-V27 HydrophobicContact CB-CB 4.07Å; D24-V27 HydrophobicContact CB-CG2 3.94Å; D24-V27 VanDerWaalsContact CG-CG2 3.46Å; D24-V27 PolarHBondContact O-N 2.65Å; D24-V27 PolarHBondContact OD1-N 3.04Å; D24-A28 PolarHBondContact O-N 3.4Å; D24-A28 VanDerWaalsContact O-N 3.12Å; D24-H82 IonicContact OD1-NE2 3.06Å; D24-H82 PolarHBondContact OD1-NE2 3.07Å; D24-H82 IonicContact OD2-CD2 3.39Å; D24-H82 IonicContact OD2-CE1 3.82Å; D24-H82 PolarHBondContact OD2-CE1 2.89Å; D24-H82 IonicContact OD2-NE2 3.42Å; D24-H82 PolarHBondContact OD2-NE2 3.27Å
25P94.5Very high94.9Very high52 Ų5245.2 Ų45.234%0.33820%0.202SC..Hα-helixtrans-60-25.6179-24.133.8000113.8A28 Y29 L67P25-A28 PolarHBondContact O-N 2.97Å; P25-Y29 WeakPolarHBondContact O-CB 3.22Å; P25-Y29 PolarHBondContact O-N 2.94Å; P25-L67 HydrophobicContact CB-CD1 3.71Å; P25-L67 HydrophobicContact CB-CD2 3.78Å; P25-L67 HydrophobicContact CB-CG 4.35Å; P25-L67 HydrophobicContact CG-CD2 4.43Å
26V95Very high95Very high3 Ų340.2 Ų40.22%0.01818%0.184CC..Hα-helixtrans-70.5-46.9178.51780000109.8D24 A28 Y29 Y30 N70 I73D24-V26 PolarHBondContact O-N 3.09Å; D24-V26 VanDerWaalsContact OD1-CB 3.31Å; D24-V26 WeakPolarHBondContact OD1-CB 3.44Å; D24-V26 PolarHBondContact OD1-N 3.45Å; V26-A28 VanDerWaalsContact C-N 3.29Å; V26-A28 PolarHBondContact O-N 3.04Å; V26-Y29 WeakPolarHBondContact O-CB 3.36Å; V26-Y29 PolarHBondContact O-N 3.36Å; V26-Y29 VanDerWaalsContact O-N 3.13Å; V26-Y30 HydrophobicContact CG1-CD2 3.78Å; V26-Y30 HydrophobicContact CG1-CE2 3.69Å; V26-Y30 VanDerWaalsContact O-CD2 3.28Å; V26-Y30 WeakPolarHBondContact O-CD2 3.28Å; V26-Y30 PolarHBondContact O-N 3.24Å; V26-N70 VanDerWaalsContact CG2-ND2 3.32Å; V26-N70 WeakPolarHBondContact CG2-ND2 3.45Å; V26-I73 HydrophobicContact CG1-CD1 4.19Å; V26-I73 HydrophobicContact CG2-CD1 4.43Å; V26-I73 HydrophobicContact CG2-CG1 4.41Å
27V95.8Very high95Very high0 Ų043.3 Ų43.30%020%0.198CC..Hα-helixtrans-58.4-45173.4174.20000110.7H20 D24 Y29 Y30 C31 I83 Y86 L117H20-V27 HydrophobicContact CB-CB 4.15Å; H20-V27 HydrophobicContact CB-CG1 3.97Å; D24-V27 HydrophobicContact CB-CB 4.07Å; D24-V27 HydrophobicContact CB-CG2 3.94Å; D24-V27 VanDerWaalsContact CG-CG2 3.46Å; D24-V27 PolarHBondContact O-N 2.65Å; D24-V27 PolarHBondContact OD1-N 3.04Å; V27-Y29 VanDerWaalsContact C-N 3.27Å; V27-Y29 PolarHBondContact O-N 2.9Å; V27-Y30 PolarHBondContact O-N 2.72Å; V27-C31 WeakPolarHBondContact O-CB 3.1Å; V27-C31 PolarHBondContact O-N 3.42Å; V27-C31 PolarHBondContact O-SG 3.33Å; V27-I83 HydrophobicContact CB-CD1 4.15Å; V27-I83 HydrophobicContact CG2-CD1 3.68Å; V27-Y86 HydrophobicContact CG1-CD1 4.36Å; V27-Y86 HydrophobicContact CG1-CE1 4.29Å; V27-Y86 HydrophobicContact CG2-CD1 3.68Å; V27-Y86 HydrophobicContact CG2-CE1 4.08Å; V27-Y86 HydrophobicContact CG2-CG 4.06Å; V27-L117 HydrophobicContact CG1-CD2 3.62Å
28A96.4Very high95Very high0 Ų044.6 Ų44.60%021%0.207CC..Hα-helixtrans-59.8-38.2177.300000112.7A17 H20 E21 D24 P25 V26 R32 M63A17-A28 HydrophobicContact CB-CB 4.49Å; A17-A28 VanDerWaalsContact O-CB 3.29Å; A17-A28 WeakPolarHBondContact O-CB 3.4Å; H20-A28 HydrophobicContact CB-CB 4.26Å; E21-A28 HydrophobicContact CG-CB 4.33Å; D24-A28 PolarHBondContact O-N 3.4Å; D24-A28 VanDerWaalsContact O-N 3.12Å; P25-A28 PolarHBondContact O-N 2.97Å; V26-A28 VanDerWaalsContact C-N 3.29Å; V26-A28 PolarHBondContact O-N 3.04Å; A28-R32 WeakPolarHBondContact O-CG 3.39Å; A28-R32 PolarHBondContact O-N 3.41Å; A28-M63 HydrophobicContact CB-CE 4.3Å
29Y96.6Very high95.1Very high21 Ų2138.7 Ų38.78%0.08218%0.179CC..Hα-helixtrans-63.8-51.8177174.2-98.5000111.5P25 V26 V27 C31 R32 L33 L60 M63 K64 I73P25-Y29 WeakPolarHBondContact O-CB 3.22Å; P25-Y29 PolarHBondContact O-N 2.94Å; V26-Y29 WeakPolarHBondContact O-CB 3.36Å; V26-Y29 PolarHBondContact O-N 3.36Å; V26-Y29 VanDerWaalsContact O-N 3.13Å; V27-Y29 VanDerWaalsContact C-N 3.27Å; V27-Y29 PolarHBondContact O-N 2.9Å; Y29-C31 PolarHBondContact O-N 3.48Å; Y29-R32 PolarHBondContact O-N 2.54Å; Y29-L33 HydrophobicContact CE1-CD2 4.21Å; Y29-L33 WeakPolarHBondContact O-CB 3.45Å; Y29-L33 PolarHBondContact O-N 2.86Å; Y29-L60 HydrophobicContact CD2-CD2 3.69Å; Y29-L60 HydrophobicContact CE2-CD2 3.7Å; Y29-L60 HydrophobicContact CG-CD2 4.46Å; Y29-M63 VanDerWaalsContact CB-CE 3.48Å; Y29-M63 HydrophobicContact CD2-CB 4.21Å; Y29-M63 HydrophobicContact CD2-CE 4.16Å; Y29-M63 HydrophobicContact CG-CE 4.33Å; Y29-M63 VanDerWaalsContact N-CE 3.33Å; Y29-K64 HydrophobicContact CE2-CB 4.04Å; Y29-I73 HydrophobicContact CD1-CD1 3.33Å; Y29-I73 HydrophobicContact CD2-CD1 4.45Å; Y29-I73 HydrophobicContact CE1-CD1 3.87Å; Y29-I73 HydrophobicContact CG-CD1 3.66Å
30Y97.3Very high95.2Very high10 Ų1039 Ų394%0.03918%0.181CC..Hα-helixtrans-68.7-34.6-177.3-75.4-67.3000113V26 V27 R32 L33 Y34 S72 I73 I83 V120 V123 F124V26-Y30 HydrophobicContact CG1-CD2 3.78Å; V26-Y30 HydrophobicContact CG1-CE2 3.69Å; V26-Y30 VanDerWaalsContact O-CD2 3.28Å; V26-Y30 WeakPolarHBondContact O-CD2 3.28Å; V26-Y30 PolarHBondContact O-N 3.24Å; V27-Y30 PolarHBondContact O-N 2.72Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.06Å; Y30-L33 HydrophobicContact CD1-CD2 3.97Å; Y30-L33 HydrophobicContact CE1-CD2 4.14Å; Y30-L33 PolarHBondContact O-N 3.42Å; Y30-Y34 WeakPolarHBondContact O-CB 3.46Å; Y30-Y34 PolarHBondContact O-N 3.32Å; Y30-S72 VanDerWaalsContact CE2-O 3.31Å; Y30-S72 WeakPolarHBondContact CE2-O 3.47Å; Y30-S72 PolarHBondContact OH-O 3.06Å; Y30-I73 HydrophobicContact CE2-CD1 4.11Å; Y30-I83 HydrophobicContact CD2-CD1 3.84Å; Y30-I83 HydrophobicContact CD2-CG1 3.74Å; Y30-I83 HydrophobicContact CE2-CG1 4.47Å; Y30-I83 HydrophobicContact CG-CD1 4.31Å; Y30-I83 HydrophobicContact CG-CG1 4.07Å; Y30-V120 WeakPolarHBondContact O-CG1 3.4Å; Y30-V123 HydrophobicContact CD1-CG2 3.99Å; Y30-F124 AromaticContact CD1-CE1 3.9Å; Y30-F124 HydrophobicContact CD1-CE1 3.9Å; Y30-F124 HydrophobicContact CD1-CE2 4.21Å; Y30-F124 AromaticContact CD1-CZ 3.41Å; Y30-F124 HydrophobicContact CD1-CZ 3.41Å; Y30-F124 VanDerWaalsContact CD1-CZ 3.41Å; Y30-F124 HydrophobicContact CD2-CZ 4.1Å; Y30-F124 HydrophobicContact CE1-CD1 4.45Å; Y30-F124 AromaticContact CE1-CE1 3.27Å; Y30-F124 HydrophobicContact CE1-CE1 3.27Å; Y30-F124 HydrophobicContact CE1-CE2 4.37Å; Y30-F124 AromaticContact CE1-CZ 3.21Å; Y30-F124 HydrophobicContact CE1-CZ 3.21Å; Y30-F124 HydrophobicContact CE2-CE1 4.43Å; Y30-F124 AromaticContact CE2-CZ 3.91Å; Y30-F124 HydrophobicContact CE2-CZ 3.91Å; Y30-F124 AromaticContact CG-CZ 3.86Å; Y30-F124 HydrophobicContact CG-CZ 3.86Å; Y30-F124 AromaticContact CZ-CE1 3.57Å; Y30-F124 AromaticContact CZ-CZ 3.46Å; Y30-F124 VanDerWaalsContact CZ-CZ 3.46Å
31C97.4Very high95.2Very high1 Ų147 Ų471%0.00722%0.216CC..Hα-helixtrans-60.5-42171.1-71.40000112.3A17 V27 Y29 A35A17-C31 HydrophobicContact CB-CB 3.72Å; V27-C31 WeakPolarHBondContact O-CB 3.1Å; V27-C31 PolarHBondContact O-N 3.42Å; V27-C31 PolarHBondContact O-SG 3.33Å; Y29-C31 PolarHBondContact O-N 3.48Å; C31-A35 WeakPolarHBondContact O-CB 3.43Å; C31-A35 PolarHBondContact O-N 2.99Å
32R96.8Very high95.3Very high8 Ų846.7 Ų46.73%0.0322%0.217CC..Hα-helixtrans-68.3-38.7175-77-178.5173.289.212.7112.3L14 A17 E21 A28 Y29 Y30 A35 M36 L56 L60 M63L14-R32 HydrophobicContact CD2-CG 4.49Å; A17-R32 HydrophobicContact CB-CG 3.86Å; E21-R32 IonicContact OE1-CZ 3.08Å; E21-R32 IonicContact OE1-NH1 3.56Å; E21-R32 IonicContact OE1-NH2 3.14Å; E21-R32 PolarHBondContact OE1-NH2 2.6Å; A28-R32 WeakPolarHBondContact O-CG 3.39Å; A28-R32 PolarHBondContact O-N 3.41Å; Y29-R32 PolarHBondContact O-N 2.54Å; Y30-R32 VanDerWaalsContact C-N 3.34Å; Y30-R32 PolarHBondContact O-N 3.06Å; R32-A35 PolarHBondContact O-N 3.25Å; R32-M36 WeakPolarHBondContact O-CB 3.47Å; R32-M36 PolarHBondContact O-N 3.31Å; R32-L56 HydrophobicContact CB-CD1 4.19Å; R32-L56 HydrophobicContact CG-CD1 4.05Å; R32-L60 HydrophobicContact CB-CD2 3.61Å; R32-L60 HydrophobicContact CB-CG 4.11Å; R32-M63 PolarHBondContact NH1-SD 2.99Å
33L96.6Very high95.3Very high39 Ų3938.2 Ų38.220%0.20418%0.181CC..Hα-helixtrans-62.3-46.6178.4-177.362.3000110.4Y29 Y30 M36 Q37 L60Y29-L33 HydrophobicContact CE1-CD2 4.21Å; Y29-L33 WeakPolarHBondContact O-CB 3.45Å; Y29-L33 PolarHBondContact O-N 2.86Å; Y30-L33 HydrophobicContact CD1-CD2 3.97Å; Y30-L33 HydrophobicContact CE1-CD2 4.14Å; Y30-L33 PolarHBondContact O-N 3.42Å; L33-M36 PolarHBondContact O-N 3.29Å; L33-Q37 WeakPolarHBondContact O-CG 3.44Å; L33-Q37 PolarHBondContact O-N 2.95Å; L33-L60 HydrophobicContact CB-CD2 4.21Å; L33-L60 HydrophobicContact CD1-CD1 4.31Å
34Y97.3Very high95.2Very high29 Ų2935.3 Ų35.311%0.11418%0.179CC..Hα-helixtrans-60-47.2173.4-180-90.2000111.8Y13 Y30 M36 Q37 T38 D119 V120 S122 V123Y13-Y34 AromaticContact CD1-CD1 3.63Å; Y13-Y34 HydrophobicContact CD1-CD1 3.63Å; Y13-Y34 AromaticContact CD1-CE1 3.8Å; Y13-Y34 HydrophobicContact CD1-CE1 3.8Å; Y13-Y34 HydrophobicContact CD2-CD1 4.18Å; Y13-Y34 AromaticContact CD2-CE1 3.97Å; Y13-Y34 HydrophobicContact CD2-CE1 3.97Å; Y13-Y34 AromaticContact CE1-CD1 3.77Å; Y13-Y34 HydrophobicContact CE1-CD1 3.77Å; Y13-Y34 AromaticContact CE1-CE1 3.46Å; Y13-Y34 HydrophobicContact CE1-CE1 3.46Å; Y13-Y34 VanDerWaalsContact CE1-CE1 3.46Å; Y13-Y34 HydrophobicContact CE2-CD1 4.3Å; Y13-Y34 AromaticContact CE2-CE1 3.65Å; Y13-Y34 HydrophobicContact CE2-CE1 3.65Å; Y13-Y34 AromaticContact CG-CD1 3.83Å; Y13-Y34 HydrophobicContact CG-CD1 3.83Å; Y13-Y34 HydrophobicContact CG-CE1 4.03Å; Y13-Y34 AromaticContact CZ-CE1 3.37Å; Y30-Y34 WeakPolarHBondContact O-CB 3.46Å; Y30-Y34 PolarHBondContact O-N 3.32Å; Y34-M36 VanDerWaalsContact C-N 3.28Å; Y34-M36 PolarHBondContact O-N 3.05Å; Y34-Q37 PolarHBondContact O-N 3.44Å; Y34-T38 WeakPolarHBondContact CE1-OG1 3.42Å; Y34-T38 WeakPolarHBondContact O-CB 3.34Å; Y34-T38 PolarHBondContact O-N 2.94Å; Y34-T38 PolarHBondContact O-OG1 2.82Å; Y34-T38 VanDerWaalsContact O-OG1 3.06Å; Y34-D119 HydrophobicContact CE2-CB 4.5Å; Y34-D119 WeakPolarHBondContact CE2-O 3.47Å; Y34-V120 HydrophobicContact CD1-CG2 4.31Å; Y34-V120 HydrophobicContact CG-CG2 4.01Å; Y34-S122 WeakPolarHBondContact CE2-OG 3.31Å; Y34-V123 HydrophobicContact CD2-CG1 3.82Å; Y34-V123 HydrophobicContact CG-CG1 4.25Å
35A96.6Very high95.1Very high0 Ų043.3 Ų43.30%021%0.213CC..Hα-helixtrans-60.3-37.617800000112.2I10 L14 C31 R32 G39 L56I10-A35 HydrophobicContact CB-CB 4.09Å; I10-A35 HydrophobicContact CD1-CB 4.29Å; I10-A35 WeakPolarHBondContact CD1-O 3.4Å; L14-A35 HydrophobicContact CD2-CB 3.67Å; L14-A35 HydrophobicContact CG-CB 3.96Å; C31-A35 WeakPolarHBondContact O-CB 3.43Å; C31-A35 PolarHBondContact O-N 2.99Å; R32-A35 PolarHBondContact O-N 3.25Å; A35-G39 WeakPolarHBondContact O-CA 3.34Å; A35-G39 PolarHBondContact O-N 3.42Å; A35-L56 HydrophobicContact CB-CD2 4.4Å
36M95.9Very high95.1Very high19 Ų1942.8 Ų42.89%0.09421%0.209CC..Hα-helixtrans-66.6-51.3175.7-178.360-178.300111.4R32 L33 Y34 T38 G39 M40 L53 L56 M57 L60R32-M36 WeakPolarHBondContact O-CB 3.47Å; R32-M36 PolarHBondContact O-N 3.31Å; L33-M36 PolarHBondContact O-N 3.29Å; Y34-M36 VanDerWaalsContact C-N 3.28Å; Y34-M36 PolarHBondContact O-N 3.05Å; M36-T38 VanDerWaalsContact C-N 3.34Å; M36-T38 PolarHBondContact O-N 2.89Å; M36-G39 PolarHBondContact O-N 3.39Å; M36-M40 HydrophobicContact CE-CG 3.96Å; M36-M40 HydrophobicContact CE-SD 3.75Å; M36-M40 WeakPolarHBondContact O-CG 3.34Å; M36-M40 PolarHBondContact O-N 2.94Å; M36-M40 HydrophobicContact SD-CG 4.37Å; M36-L53 HydrophobicContact CE-CB 4.01Å; M36-L53 WeakPolarHBondContact CE-O 3.44Å; M36-L53 HydrophobicContact SD-CB 3.92Å; M36-L53 HydrophobicContact SD-CD2 3.7Å; M36-L53 HydrophobicContact SD-CG 4.38Å; M36-L53 VanDerWaalsContact SD-O 3.41Å; M36-L56 HydrophobicContact CB-CD2 3.91Å; M36-L56 HydrophobicContact CB-CG 4.31Å; M36-L56 HydrophobicContact SD-CB 4.31Å; M36-L56 HydrophobicContact SD-CD2 4.2Å; M36-L56 HydrophobicContact SD-CG 4.38Å; M36-M57 HydrophobicContact CE-CB 3.99Å; M36-M57 HydrophobicContact CE-CG 4.48Å; M36-M57 HydrophobicContact CE-SD 4.2Å; M36-L60 HydrophobicContact CB-CD1 3.83Å; M36-L60 HydrophobicContact CG-CD1 4.14Å
37Q95.1Very high95Very high71 Ų7147.1 Ų47.133%0.33224%0.237SC..Hα-helixtrans-59.4-44.4178.7-70.7-179.26.100111.9L33 Y34 K41L33-Q37 WeakPolarHBondContact O-CG 3.44Å; L33-Q37 PolarHBondContact O-N 2.95Å; Y34-Q37 PolarHBondContact O-N 3.44Å; Q37-K41 WeakPolarHBondContact O-CG 3.38Å; Q37-K41 PolarHBondContact O-N 3.16Å
38T95.3Very high94.9Very high28 Ų2852.7 Ų52.717%0.17226%0.263CS..Hα-helixtrans-68.5-42.8177.6-60.30000111.2I10 Y34 M36 M40 K41 L42I10-T38 HydrophobicContact CG2-CG2 3.64Å; Y34-T38 WeakPolarHBondContact CE1-OG1 3.42Å; Y34-T38 WeakPolarHBondContact O-CB 3.34Å; Y34-T38 PolarHBondContact O-N 2.94Å; Y34-T38 PolarHBondContact O-OG1 2.82Å; Y34-T38 VanDerWaalsContact O-OG1 3.06Å; M36-T38 VanDerWaalsContact C-N 3.34Å; M36-T38 PolarHBondContact O-N 2.89Å; T38-M40 VanDerWaalsContact C-N 3.33Å; T38-M40 PolarHBondContact O-N 2.79Å; T38-K41 WeakPolarHBondContact O-CB 3.37Å; T38-K41 PolarHBondContact O-N 3.16Å; T38-K41 VanDerWaalsContact O-N 3.1Å; T38-L42 HydrophobicContact CG2-CD1 4.17Å; T38-L42 HydrophobicContact CG2-CG 4.46Å; T38-L42 WeakPolarHBondContact O-CG 3.29Å; T38-L42 PolarHBondContact O-N 3.44Å
39G94.8Very high94.7Very high0 Ų052.7 Ų52.70%026%0.263CS..Hα-helixtrans-61.1-39.2177.800000113.1A35 M36 K41 L42 D43A35-G39 WeakPolarHBondContact O-CA 3.34Å; A35-G39 PolarHBondContact O-N 3.42Å; M36-G39 PolarHBondContact O-N 3.39Å; G39-K41 VanDerWaalsContact C-N 3.3Å; G39-K41 PolarHBondContact O-N 3.01Å; G39-L42 PolarHBondContact O-N 3.45Å; G39-D43 PolarHBondContact O-N 3.18Å
40M94.3Very high94.6Very high99 Ų9959.6 Ų59.649%0.48829%0.289SS..Hα-helixtrans-63.2-34.4174.2-72.6-179.374.300113.3M36 T38 S44 L53M36-M40 HydrophobicContact CE-CG 3.96Å; M36-M40 HydrophobicContact CE-SD 3.75Å; M36-M40 WeakPolarHBondContact O-CG 3.34Å; M36-M40 PolarHBondContact O-N 2.94Å; M36-M40 HydrophobicContact SD-CG 4.37Å; T38-M40 VanDerWaalsContact C-N 3.33Å; T38-M40 PolarHBondContact O-N 2.79Å; M40-S44 PolarHBondContact O-OG 2.92Å; M40-L53 HydrophobicContact CG-CD1 4.18Å
41K94.4Very high94.4Very high174 Ų17465.3 Ų65.376%0.75731%0.314SS*.Hα-helixtrans-72.7-33.8176-68.9173.3-176176.20112.2Q37 T38 G39Q37-K41 WeakPolarHBondContact O-CG 3.38Å; Q37-K41 PolarHBondContact O-N 3.16Å; T38-K41 WeakPolarHBondContact O-CB 3.37Å; T38-K41 PolarHBondContact O-N 3.16Å; T38-K41 VanDerWaalsContact O-N 3.1Å; G39-K41 VanDerWaalsContact C-N 3.3Å; G39-K41 PolarHBondContact O-N 3.01Å
42L93.6Very high94.4Very high86 Ų8666.4 Ų66.445%0.4532%0.318SS..Hα-helixtrans-73.3-60.5179.4-69.2171.3000111.9L7 A9 I10 T38 G39L7-L42 HydrophobicContact CD2-CB 4.18Å; L7-L42 HydrophobicContact CD2-CD1 4.45Å; A9-L42 HydrophobicContact CB-CD1 3.9Å; I10-L42 HydrophobicContact CG2-CD1 4.21Å; T38-L42 HydrophobicContact CG2-CD1 4.17Å; T38-L42 HydrophobicContact CG2-CG 4.46Å; T38-L42 WeakPolarHBondContact O-CG 3.29Å; T38-L42 PolarHBondContact O-N 3.44Å; G39-L42 PolarHBondContact O-N 3.45Å
43D91.7Very high94.3Very high24 Ų2466.3 Ų66.313%0.12832%0.319CS..  trans-157.7106.4179.8-173.4-2.7000111.3Q6 G39 K45 T46 C49 L53Q6-D43 HydrophobicContact CB-CB 4.23Å; G39-D43 PolarHBondContact O-N 3.18Å; D43-K45 PolarHBondContact OD1-N 2.85Å; D43-T46 VanDerWaalsContact CG-OG1 3.3Å; D43-T46 PolarHBondContact OD1-N 3Å; D43-T46 PolarHBondContact OD1-OG1 3.29Å; D43-T46 WeakPolarHBondContact OD2-CB 3.34Å; D43-T46 PolarHBondContact OD2-OG1 3.42Å; D43-C49 HydrophobicContact CB-CB 4.29Å; D43-C49 VanDerWaalsContact O-CB 3.3Å; D43-C49 WeakPolarHBondContact O-CB 3.32Å; D43-C49 PolarHBondContact OD2-SG 3.42Å; D43-C49 VanDerWaalsContact OD2-SG 3.4Å; D43-L53 WeakPolarHBondContact O-CD1 3.36Å
44S91.2Very high94.2Very high56 Ų5668 Ų6839%0.39233%0.331SS..SBendtrans-1093.1174.146.80000113.2M40M40-S44 PolarHBondContact O-OG 2.92Å
45K90.8Very high94.1Very high189 Ų18970.1 Ų70.182%0.82234%0.341SS*.SBendtrans-102.3-38.9-171.2-62.3178.8-175.6175.50111.6D43D43-K45 PolarHBondContact OD1-N 2.85Å
46T94.1Very high94.1Very high42 Ų4270.3 Ų70.326%0.25834%0.342SS..SBendtrans-63.8131.4180-60.30000110.3D43 E48 C49 R50D43-T46 VanDerWaalsContact CG-OG1 3.3Å; D43-T46 PolarHBondContact OD1-N 3Å; D43-T46 PolarHBondContact OD1-OG1 3.29Å; D43-T46 WeakPolarHBondContact OD2-CB 3.34Å; D43-T46 PolarHBondContact OD2-OG1 3.42Å; T46-E48 VanDerWaalsContact C-N 3.28Å; T46-E48 HydrophobicContact CG2-CB 4.48Å; T46-E48 WeakPolarHBondContact CG2-OE2 3.33Å; T46-E48 PolarHBondContact O-N 3.42Å; T46-C49 PolarHBondContact O-N 3.43Å; T46-R50 WeakPolarHBondContact O-CB 3.28Å; T46-R50 PolarHBondContact O-N 2.9Å
47P93.3Very high94Very high93 Ų9373.2 Ų73.260%0.60436%0.357SS*.Hα-helixtrans-55.1-39.9-175.8-27.535.2000114.1K51P47-K51 WeakPolarHBondContact O-CB 3.45Å; P47-K51 PolarHBondContact O-N 3.18Å
48E93.3Very high94.1Very high118 Ų11873.6 Ų73.655%0.55136%0.361SS*.Hα-helixtrans-67.1-46.1178.9-65.571.8-158.200111.7T46 K51 F52T46-E48 VanDerWaalsContact C-N 3.28Å; T46-E48 HydrophobicContact CG2-CB 4.48Å; T46-E48 WeakPolarHBondContact CG2-OE2 3.33Å; T46-E48 PolarHBondContact O-N 3.42Å; E48-K51 PolarHBondContact O-N 3.35Å; E48-F52 PolarHBondContact O-N 3.02Å
49C92.9Very high94.1Very high0 Ų076.5 Ų76.50%037%0.373CS..Hα-helixtrans-62.8-46.5175.9-61.30000110.8L7 D43 T46 K51 F52 L53L7-C49 HydrophobicContact CD1-CB 4.28Å; D43-C49 HydrophobicContact CB-CB 4.29Å; D43-C49 VanDerWaalsContact O-CB 3.3Å; D43-C49 WeakPolarHBondContact O-CB 3.32Å; D43-C49 PolarHBondContact OD2-SG 3.42Å; D43-C49 VanDerWaalsContact OD2-SG 3.4Å; T46-C49 PolarHBondContact O-N 3.43Å; C49-K51 PolarHBondContact O-N 2.99Å; C49-F52 WeakPolarHBondContact O-CB 3.32Å; C49-F52 PolarHBondContact O-N 2.81Å; C49-F52 VanDerWaalsContact O-N 3.17Å; C49-L53 VanDerWaalsContact O-CG 3.3Å; C49-L53 WeakPolarHBondContact O-CG 3.28Å; C49-L53 PolarHBondContact O-N 3.36Å
50R93.4Very high94.1Very high165 Ų16576.8 Ų76.862%0.62337%0.374SS*.Hα-helixtrans-59.7-45.1176.7-175.7177.9176.2-175.80111.7T46 F52 L53 V54T46-R50 WeakPolarHBondContact O-CB 3.28Å; T46-R50 PolarHBondContact O-N 2.9Å; R50-F52 VanDerWaalsContact C-N 3.29Å; R50-F52 PolarHBondContact O-N 3.11Å; R50-L53 PolarHBondContact O-N 2.94Å; R50-V54 HydrophobicContact CG-CG2 4.38Å; R50-V54 VanDerWaalsContact O-CG2 3.29Å; R50-V54 WeakPolarHBondContact O-CG2 3.39Å; R50-V54 PolarHBondContact O-N 2.98Å
51K94.6Very high94.1Very high130 Ų13077.5 Ų77.557%0.56538%0.376SS*.Hα-helixtrans-59.3-42176.7-175.6179.9178.9178.20111.4M1 P47 E48 C49 Q55M1-K51 HydrophobicContact CE-CD 4.4Å; M1-K51 HydrophobicContact CE-CG 4.26Å; P47-K51 WeakPolarHBondContact O-CB 3.45Å; P47-K51 PolarHBondContact O-N 3.18Å; E48-K51 PolarHBondContact O-N 3.35Å; C49-K51 PolarHBondContact O-N 2.99Å; K51-Q55 WeakPolarHBondContact O-CG 3.49Å; K51-Q55 PolarHBondContact O-N 3.08Å
52F95.9Very high94.1Very high24 Ų2472.7 Ų72.711%0.10536%0.362CS..Hα-helixtrans-64.3-47.2175.9-177.5-89.2000112.1M1 L3 P4 L7 I10 L14 E48 C49 R50 V54 Q55 L56M1-F52 HydrophobicContact CE-CB 4.35Å; M1-F52 HydrophobicContact CE-CD2 4.35Å; M1-F52 HydrophobicContact CG-CD2 4.33Å; L3-F52 HydrophobicContact CD1-CD1 4.41Å; L3-F52 HydrophobicContact CD1-CE1 3.76Å; L3-F52 HydrophobicContact CD1-CE2 3.99Å; L3-F52 HydrophobicContact CD1-CZ 3.53Å; P4-F52 HydrophobicContact CG-CB 4.13Å; P4-F52 HydrophobicContact CG-CG 4.45Å; L7-F52 HydrophobicContact CD1-CB 4.46Å; L7-F52 HydrophobicContact CD1-CD1 3.66Å; L7-F52 HydrophobicContact CD1-CE1 4.31Å; L7-F52 HydrophobicContact CD1-CG 4.3Å; I10-F52 HydrophobicContact CD1-CE1 4.26Å; L14-F52 HydrophobicContact CD1-CE1 4.01Å; L14-F52 HydrophobicContact CD1-CZ 3.68Å; E48-F52 PolarHBondContact O-N 3.02Å; C49-F52 WeakPolarHBondContact O-CB 3.32Å; C49-F52 PolarHBondContact O-N 2.81Å; C49-F52 VanDerWaalsContact O-N 3.17Å; R50-F52 VanDerWaalsContact C-N 3.29Å; R50-F52 PolarHBondContact O-N 3.11Å; F52-V54 PolarHBondContact O-N 3.44Å; F52-Q55 PolarHBondContact O-N 3.5Å; F52-L56 HydrophobicContact CE1-CD2 4.3Å; F52-L56 PolarHBondContact O-N 3.08Å
53L95.2Very high94.1Very high7 Ų769.7 Ų69.74%0.03735%0.346CS..Hα-helixtrans-64.8-38.8-179.5-67.8173.5000112.5L7 M36 M40 D43 C49 R50 Q55 L56 M57L7-L53 HydrophobicContact CD1-CD2 4.32Å; L7-L53 HydrophobicContact CD1-CG 4.39Å; M36-L53 HydrophobicContact CE-CB 4.01Å; M36-L53 WeakPolarHBondContact CE-O 3.44Å; M36-L53 HydrophobicContact SD-CB 3.92Å; M36-L53 HydrophobicContact SD-CD2 3.7Å; M36-L53 HydrophobicContact SD-CG 4.38Å; M36-L53 VanDerWaalsContact SD-O 3.41Å; M40-L53 HydrophobicContact CG-CD1 4.18Å; D43-L53 WeakPolarHBondContact O-CD1 3.36Å; C49-L53 VanDerWaalsContact O-CG 3.3Å; C49-L53 WeakPolarHBondContact O-CG 3.28Å; C49-L53 PolarHBondContact O-N 3.36Å; R50-L53 PolarHBondContact O-N 2.94Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; L53-Q55 PolarHBondContact O-N 3.44Å; L53-L56 PolarHBondContact O-N 3.33Å; L53-M57 PolarHBondContact O-N 3.33Å
54V95.5Very high94.1Very high75 Ų7573.7 Ų73.746%0.45536%0.362SS..Hα-helixtrans-59.8-46.4174.2169.40000110.7R50 F52 L56 M57 D58R50-V54 HydrophobicContact CG-CG2 4.38Å; R50-V54 VanDerWaalsContact O-CG2 3.29Å; R50-V54 WeakPolarHBondContact O-CG2 3.39Å; R50-V54 PolarHBondContact O-N 2.98Å; F52-V54 PolarHBondContact O-N 3.44Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.36Å; V54-M57 VanDerWaalsContact O-CB 3.31Å; V54-M57 WeakPolarHBondContact O-CB 3.3Å; V54-M57 PolarHBondContact O-N 2.93Å; V54-M57 VanDerWaalsContact O-N 3.16Å; V54-D58 PolarHBondContact O-N 3.31Å
55Q94.6Very high94.3Very high72 Ų7279.3 Ų79.334%0.33638%0.379SS..Hα-helixtrans-66.7-34.6177.2-70.2-178-1200113.3M1 K51 F52 L53 M57 D58 Q59M1-Q55 PolarHBondContact SD-OE1 3.45Å; K51-Q55 WeakPolarHBondContact O-CG 3.49Å; K51-Q55 PolarHBondContact O-N 3.08Å; F52-Q55 PolarHBondContact O-N 3.5Å; L53-Q55 VanDerWaalsContact C-N 3.35Å; L53-Q55 PolarHBondContact O-N 3.44Å; Q55-M57 VanDerWaalsContact C-N 3.28Å; Q55-D58 PolarHBondContact O-N 3.43Å; Q55-Q59 WeakPolarHBondContact O-CG 3.26Å; Q55-Q59 PolarHBondContact O-N 3.36Å
56L95.3Very high94.3Very high4 Ų477.2 Ų77.22%0.02137%0.372CS..Hα-helixtrans-65.5-35.7174.3-176.560.1000111L14 R32 A35 M36 F52 L53 V54 Q59 L60L14-L56 HydrophobicContact CD2-CD1 3.9Å; L14-L56 HydrophobicContact CD2-CD2 4.15Å; R32-L56 HydrophobicContact CB-CD1 4.19Å; R32-L56 HydrophobicContact CG-CD1 4.05Å; A35-L56 HydrophobicContact CB-CD2 4.4Å; M36-L56 HydrophobicContact CB-CD2 3.91Å; M36-L56 HydrophobicContact CB-CG 4.31Å; M36-L56 HydrophobicContact SD-CB 4.31Å; M36-L56 HydrophobicContact SD-CD2 4.2Å; M36-L56 HydrophobicContact SD-CG 4.38Å; F52-L56 HydrophobicContact CE1-CD2 4.3Å; F52-L56 PolarHBondContact O-N 3.08Å; L53-L56 PolarHBondContact O-N 3.33Å; V54-L56 VanDerWaalsContact C-N 3.33Å; V54-L56 PolarHBondContact O-N 3.36Å; L56-Q59 PolarHBondContact O-N 3.02Å; L56-L60 WeakPolarHBondContact O-CG 3.33Å; L56-L60 PolarHBondContact O-N 3.01Å
57M95.7Very high94.2Very high81 Ų8176.7 Ų76.740%0.39937%0.368SS..Hα-helixtrans-64.5-47172.3-166.166.9-179.400111.6M36 L53 V54 Q55 Q59 L60 E61M36-M57 HydrophobicContact CE-CB 3.99Å; M36-M57 HydrophobicContact CE-CG 4.48Å; M36-M57 HydrophobicContact CE-SD 4.2Å; L53-M57 PolarHBondContact O-N 3.33Å; V54-M57 VanDerWaalsContact O-CB 3.31Å; V54-M57 WeakPolarHBondContact O-CB 3.3Å; V54-M57 PolarHBondContact O-N 2.93Å; V54-M57 VanDerWaalsContact O-N 3.16Å; Q55-M57 VanDerWaalsContact C-N 3.28Å; M57-Q59 PolarHBondContact O-N 3.22Å; M57-L60 WeakPolarHBondContact O-CA 3.25Å; M57-L60 WeakPolarHBondContact O-CB 3.5Å; M57-L60 PolarHBondContact O-N 2.96Å; M57-E61 WeakPolarHBondContact O-CG 3.49Å; M57-E61 PolarHBondContact O-N 3.24Å
58D96.4Very high93.9Very high79 Ų7976.2 Ų76.242%0.42236%0.363SS..Hα-helixtrans-57.9-38.5176.8-61.3-28.2000111.7V54 Q55 T62V54-D58 PolarHBondContact O-N 3.31Å; Q55-D58 PolarHBondContact O-N 3.43Å; D58-T62 WeakPolarHBondContact O-CB 3.34Å; D58-T62 PolarHBondContact O-N 3.13Å; D58-T62 PolarHBondContact O-OG1 2.89Å
59Q94.3Very high93.6Very high88 Ų8878.2 Ų78.241%0.41138%0.378SS..Hα-helixtrans-64.9-43.5173.9-73.4173.831.200112Q55 L56 M57 T62 M63Q55-Q59 WeakPolarHBondContact O-CG 3.26Å; Q55-Q59 PolarHBondContact O-N 3.36Å; L56-Q59 PolarHBondContact O-N 3.02Å; M57-Q59 PolarHBondContact O-N 3.22Å; Q59-T62 PolarHBondContact O-N 3.48Å; Q59-M63 WeakPolarHBondContact O-CB 3.38Å; Q59-M63 VanDerWaalsContact O-CG 3.31Å; Q59-M63 WeakPolarHBondContact O-CG 3.15Å; Q59-M63 PolarHBondContact O-N 2.83Å
60L95.1Very high93.4Very high7 Ų781 Ų814%0.03739%0.393CS..Hα-helixtrans-62.4-42.5176.7-80.1168.3000111.7Y29 R32 L33 M36 L56 M57 M63 K64Y29-L60 HydrophobicContact CD2-CD2 3.69Å; Y29-L60 HydrophobicContact CE2-CD2 3.7Å; Y29-L60 HydrophobicContact CG-CD2 4.46Å; R32-L60 HydrophobicContact CB-CD2 3.61Å; R32-L60 HydrophobicContact CB-CG 4.11Å; L33-L60 HydrophobicContact CB-CD2 4.21Å; L33-L60 HydrophobicContact CD1-CD1 4.31Å; M36-L60 HydrophobicContact CB-CD1 3.83Å; M36-L60 HydrophobicContact CG-CD1 4.14Å; L56-L60 WeakPolarHBondContact O-CG 3.33Å; L56-L60 PolarHBondContact O-N 3.01Å; M57-L60 WeakPolarHBondContact O-CA 3.25Å; M57-L60 WeakPolarHBondContact O-CB 3.5Å; M57-L60 PolarHBondContact O-N 2.96Å; L60-M63 PolarHBondContact O-N 3.21Å; L60-K64 VanDerWaalsContact O-CB 3.28Å; L60-K64 WeakPolarHBondContact O-CB 3.34Å; L60-K64 PolarHBondContact O-N 3.08Å
61E94.9Very high93.2Very high113 Ų11377.6 Ų77.653%0.52839%0.387SS..Hα-helixtrans-63.3-42.7176.3-70.4-179.9-176.300111.7M57 K64 K65M57-E61 WeakPolarHBondContact O-CG 3.49Å; M57-E61 PolarHBondContact O-N 3.24Å; E61-K64 PolarHBondContact O-N 3.49Å; E61-K65 WeakPolarHBondContact O-CB 3.39Å; E61-K65 PolarHBondContact O-N 3.15Å
62T95.2Very high93Very high73 Ų7372 Ų7245%0.44836%0.364SS..Hα-helixtrans-61-50.5175.5-57.60000110.9D58 Q59 K64 K65 E66D58-T62 WeakPolarHBondContact O-CB 3.34Å; D58-T62 PolarHBondContact O-N 3.13Å; D58-T62 PolarHBondContact O-OG1 2.89Å; Q59-T62 PolarHBondContact O-N 3.48Å; T62-K64 VanDerWaalsContact C-N 3.34Å; T62-K64 PolarHBondContact O-N 3.44Å; T62-K65 WeakPolarHBondContact O-CB 3.28Å; T62-K65 PolarHBondContact O-N 3.09Å; T62-E66 WeakPolarHBondContact O-CG 3.31Å; T62-E66 PolarHBondContact O-N 3.02Å
63M93.1Very high92.8Very high24 Ų2471.5 Ų71.512%0.11836%0.362CS..Hα-helixtrans-62.7-40178.8-73.617649.300112.4A28 Y29 R32 Q59 L60 K65 E66 L67A28-M63 HydrophobicContact CB-CE 4.3Å; Y29-M63 VanDerWaalsContact CB-CE 3.48Å; Y29-M63 HydrophobicContact CD2-CB 4.21Å; Y29-M63 HydrophobicContact CD2-CE 4.16Å; Y29-M63 HydrophobicContact CG-CE 4.33Å; Y29-M63 VanDerWaalsContact N-CE 3.33Å; R32-M63 PolarHBondContact NH1-SD 2.99Å; Q59-M63 WeakPolarHBondContact O-CB 3.38Å; Q59-M63 VanDerWaalsContact O-CG 3.31Å; Q59-M63 WeakPolarHBondContact O-CG 3.15Å; Q59-M63 PolarHBondContact O-N 2.83Å; L60-M63 PolarHBondContact O-N 3.21Å; M63-K65 VanDerWaalsContact C-N 3.28Å; M63-K65 PolarHBondContact O-N 3.27Å; M63-E66 PolarHBondContact O-N 2.94Å; M63-L67 WeakPolarHBondContact O-CB 3.31Å; M63-L67 WeakPolarHBondContact O-CG 3.29Å; M63-L67 PolarHBondContact O-N 3.39Å
64K92.3Very high92.5Very high108 Ų10874.8 Ų74.847%0.4739%0.386SS..Hα-helixtrans-63-38.1176.9-172174.6-176.7177.50111.4Y29 L60 E61 T62 L67 T68 I73Y29-K64 HydrophobicContact CE2-CB 4.04Å; L60-K64 VanDerWaalsContact O-CB 3.28Å; L60-K64 WeakPolarHBondContact O-CB 3.34Å; L60-K64 PolarHBondContact O-N 3.08Å; E61-K64 PolarHBondContact O-N 3.49Å; T62-K64 VanDerWaalsContact C-N 3.34Å; T62-K64 PolarHBondContact O-N 3.44Å; K64-L67 CarbonylContact O-C 3.58Å; K64-T68 WeakPolarHBondContact O-CA 3.46Å; K64-T68 PolarHBondContact O-N 2.75Å; K64-T68 PolarHBondContact O-OG1 2.84Å; K64-I73 HydrophobicContact CG-CG2 4.03Å
65K93.8Very high92.3Very high174 Ų17475.8 Ų75.876%0.75739%0.386SS*.Hα-helixtrans-67.8-42.1175.7-172.2179.4179.1-178.10112E61 T62 M63 L67 T68E61-K65 WeakPolarHBondContact O-CB 3.39Å; E61-K65 PolarHBondContact O-N 3.15Å; T62-K65 WeakPolarHBondContact O-CB 3.28Å; T62-K65 PolarHBondContact O-N 3.09Å; M63-K65 VanDerWaalsContact C-N 3.28Å; M63-K65 PolarHBondContact O-N 3.27Å; K65-L67 VanDerWaalsContact C-N 3.31Å; K65-T68 PolarHBondContact O-OG1 3.32Å
66E92.5Very high92.1Very high145 Ų14578.1 Ų78.168%0.67840%0.396SS*.Hα-helixtrans-67-32.3176.9-71.2174.9177.700112.7T62 M63T62-E66 WeakPolarHBondContact O-CG 3.31Å; T62-E66 PolarHBondContact O-N 3.02Å; M63-E66 PolarHBondContact O-N 2.94Å
67L90.7Very high92Very high31 Ų3183.8 Ų83.816%0.16243%0.431CS..THydrogen-bonded Turntrans-105.719.3-177.2-58.2169.7000113.3P25 M63 K64 K65 D69 N70 I73P25-L67 HydrophobicContact CB-CD1 3.71Å; P25-L67 HydrophobicContact CB-CD2 3.78Å; P25-L67 HydrophobicContact CB-CG 4.35Å; P25-L67 HydrophobicContact CG-CD2 4.43Å; M63-L67 WeakPolarHBondContact O-CB 3.31Å; M63-L67 WeakPolarHBondContact O-CG 3.29Å; M63-L67 PolarHBondContact O-N 3.39Å; K64-L67 CarbonylContact O-C 3.58Å; K65-L67 VanDerWaalsContact C-N 3.31Å; L67-D69 PolarHBondContact O-N 2.98Å; L67-N70 WeakPolarHBondContact O-CB 3.31Å; L67-N70 PolarHBondContact O-N 3.3Å; L67-I73 HydrophobicContact CB-CG1 3.84Å; L67-I73 HydrophobicContact CD1-CD1 4.4Å; L67-I73 HydrophobicContact CD1-CG1 4.35Å
68T87.6Confident92Very high82 Ų8282.4 Ų82.450%0.50343%0.427SS..THydrogen-bonded Turntrans-60.3-31.5-177.2-76.50000112.7K64 K65 N70K64-T68 WeakPolarHBondContact O-CA 3.46Å; K64-T68 PolarHBondContact O-N 2.75Å; K64-T68 PolarHBondContact O-OG1 2.84Å; K65-T68 PolarHBondContact O-OG1 3.32Å; T68-N70 PolarHBondContact O-N 3.45Å
69D87.7Confident91.9Very high161 Ų16178.6 Ų78.686%0.86141%0.407SS*.THydrogen-bonded Turntrans-79.2-2.9179.5-58.4-34.4000113.2L67L67-D69 PolarHBondContact O-N 2.98Å
70N88.6Confident91.8Very high58 Ų5876.8 Ų76.831%0.3140%0.4SS..  trans-93.1120.9-180-168-32.5000111V26 L67 T68 S72 I73 S74V26-N70 VanDerWaalsContact CG2-ND2 3.32Å; V26-N70 WeakPolarHBondContact CG2-ND2 3.45Å; L67-N70 WeakPolarHBondContact O-CB 3.31Å; L67-N70 PolarHBondContact O-N 3.3Å; T68-N70 PolarHBondContact O-N 3.45Å; N70-S72 PolarHBondContact O-N 3.25Å; N70-S72 VanDerWaalsContact O-N 3.16Å; N70-S72 WeakPolarHBondContact OD1-CB 3.5Å; N70-S72 PolarHBondContact OD1-N 3.21Å; N70-S72 PolarHBondContact OD1-OG 3.13Å; N70-I73 HydrophobicContact CB-CG1 4.39Å; N70-I73 PolarHBondContact O-N 3.4Å; N70-S74 PolarHBondContact O-N 3.49Å; N70-S74 VanDerWaalsContact O-N 3.16Å
71D89.3Confident91.8Very high93 Ų9378.3 Ų78.350%0.49741%0.413SS..Hα-helixtrans-55.7-32.2178-74.4-32.8000113.1I73 S74 Q75 V78D71-I73 PolarHBondContact O-N 2.81Å; D71-S74 WeakPolarHBondContact CA-OG 3.4Å; D71-S74 PolarHBondContact O-N 3.17Å; D71-S74 PolarHBondContact O-OG 3.12Å; D71-Q75 WeakPolarHBondContact O-CB 3.4Å; D71-Q75 PolarHBondContact O-N 3.05Å; D71-Q75 PolarHBondContact OD1-NE2 3.04Å; D71-V78 HydrophobicContact CB-CG1 4.16Å
72S89.6Confident91.9Very high12 Ų1275.9 Ų75.98%0.08440%0.402CS..Hα-helixtrans-68.6-10.8177.2-53.60000113.8Y30 N70 G79Y30-S72 VanDerWaalsContact CE2-O 3.31Å; Y30-S72 WeakPolarHBondContact CE2-O 3.47Å; Y30-S72 PolarHBondContact OH-O 3.06Å; N70-S72 PolarHBondContact O-N 3.25Å; N70-S72 VanDerWaalsContact O-N 3.16Å; N70-S72 WeakPolarHBondContact OD1-CB 3.5Å; N70-S72 PolarHBondContact OD1-N 3.21Å; N70-S72 PolarHBondContact OD1-OG 3.13Å; S72-G79 WeakPolarHBondContact O-CA 3.4Å
73I91.3Very high91.9Very high15 Ų1572.4 Ų72.48%0.07738%0.38CS..Hα-helixtrans-106.8-35.6175.5-60.8-64.8000111.2V26 Y29 Y30 K64 L67 N70 D71V26-I73 HydrophobicContact CG1-CD1 4.19Å; V26-I73 HydrophobicContact CG2-CD1 4.43Å; V26-I73 HydrophobicContact CG2-CG1 4.41Å; Y29-I73 HydrophobicContact CD1-CD1 3.33Å; Y29-I73 HydrophobicContact CD2-CD1 4.45Å; Y29-I73 HydrophobicContact CE1-CD1 3.87Å; Y29-I73 HydrophobicContact CG-CD1 3.66Å; Y30-I73 HydrophobicContact CE2-CD1 4.11Å; K64-I73 HydrophobicContact CG-CG2 4.03Å; L67-I73 HydrophobicContact CB-CG1 3.84Å; L67-I73 HydrophobicContact CD1-CD1 4.4Å; L67-I73 HydrophobicContact CD1-CG1 4.35Å; N70-I73 HydrophobicContact CB-CG1 4.39Å; N70-I73 PolarHBondContact O-N 3.4Å; D71-I73 PolarHBondContact O-N 2.81Å
74S88.9Confident92.1Very high75 Ų7574 Ų7452%0.52439%0.387SS..Hα-helixtrans-78-33.2179.865.10000112.5N70 D71N70-S74 PolarHBondContact O-N 3.49Å; N70-S74 VanDerWaalsContact O-N 3.16Å; D71-S74 WeakPolarHBondContact CA-OG 3.4Å; D71-S74 PolarHBondContact O-N 3.17Å; D71-S74 PolarHBondContact O-OG 3.12Å
75Q91.4Very high92.2Very high97 Ų9773.8 Ų73.845%0.45339%0.391SS..  trans-115.1115.6-178.4-58.3-17749.200110.9D71 V77 V78 G79D71-Q75 WeakPolarHBondContact O-CB 3.4Å; D71-Q75 PolarHBondContact O-N 3.05Å; D71-Q75 PolarHBondContact OD1-NE2 3.04Å; Q75-V77 VanDerWaalsContact C-N 3.3Å; Q75-V77 PolarHBondContact O-N 2.79Å; Q75-V78 HydrophobicContact CB-CB 4.1Å; Q75-V78 HydrophobicContact CB-CG2 3.77Å; Q75-V78 PolarHBondContact O-N 2.94Å; Q75-V78 VanDerWaalsContact O-N 3.15Å; Q75-G79 PolarHBondContact O-N 3.48Å
76E91.3Very high92.3Very high121 Ų12167.5 Ų67.557%0.56536%0.363SS*.Hα-helixtrans-60.3-38.7-176.7-166.8174.2125.100113V78 G79 N80 F124E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 2.98Å; E76-G79 PolarHBondContact O-N 3.11Å; E76-N80 WeakPolarHBondContact O-CB 3.45Å; E76-N80 PolarHBondContact O-N 3.16Å; E76-F124 HydrophobicContact CG-CD1 3.44Å; E76-F124 VanDerWaalsContact CG-CD1 3.44Å; E76-F124 HydrophobicContact CG-CE1 3.94Å
77V93.1Very high92.5Very high122 Ų12260.6 Ų60.674%0.73933%0.331SS*.Hα-helixtrans-63.7-39.3178.4-178.60000111.6Q75 A81Q75-V77 VanDerWaalsContact C-N 3.3Å; Q75-V77 PolarHBondContact O-N 2.79Å; V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 2.96Å; V77-A81 VanDerWaalsContact O-N 3.08Å
78V94.3Very high92.7Very high52 Ų5260.8 Ų60.832%0.31533%0.332SS..Hα-helixtrans-71.7-41.7178.2-177.40000110.2D71 Q75 E76 A81 H82D71-V78 HydrophobicContact CB-CG1 4.16Å; Q75-V78 HydrophobicContact CB-CB 4.1Å; Q75-V78 HydrophobicContact CB-CG2 3.77Å; Q75-V78 PolarHBondContact O-N 2.94Å; Q75-V78 VanDerWaalsContact O-N 3.15Å; E76-V78 VanDerWaalsContact C-N 3.33Å; E76-V78 PolarHBondContact O-N 2.98Å; V78-A81 PolarHBondContact O-N 3.48Å; V78-H82 WeakPolarHBondContact O-CB 3.04Å; V78-H82 PolarHBondContact O-N 3.3Å
79G94.4Very high93.1Very high0 Ų062.9 Ų62.90%033%0.334CS..Hα-helixtrans-59.3-45.6173.600000112.5S72 Q75 E76 H82 I83S72-G79 WeakPolarHBondContact O-CA 3.4Å; Q75-G79 PolarHBondContact O-N 3.48Å; E76-G79 PolarHBondContact O-N 3.11Å; G79-H82 WeakPolarHBondContact O-CB 3.29Å; G79-H82 PolarHBondContact O-N 3.05Å; G79-I83 WeakPolarHBondContact O-CG1 3.23Å; G79-I83 PolarHBondContact O-N 2.97Å
80N93.8Very high93.4Very high50 Ų5055.8 Ų55.827%0.26730%0.296SS..Hα-helixtrans-58.4-55.5176.8-172.9-17.2000111.1E76 H82 I83 E84 F124E76-N80 WeakPolarHBondContact O-CB 3.45Å; E76-N80 PolarHBondContact O-N 3.16Å; N80-H82 PolarHBondContact O-N 3.02Å; N80-I83 PolarHBondContact O-N 3.33Å; N80-E84 WeakPolarHBondContact O-CB 3.33Å; N80-E84 PolarHBondContact O-N 3.39Å; N80-F124 HydrophobicContact CB-CB 4.14Å; N80-F124 HydrophobicContact CB-CD1 3.95Å; N80-F124 HydrophobicContact CB-CD2 3.8Å; N80-F124 HydrophobicContact CB-CE1 4.2Å; N80-F124 HydrophobicContact CB-CE2 4.12Å; N80-F124 HydrophobicContact CB-CG 3.7Å; N80-F124 HydrophobicContact CB-CZ 4.28Å; N80-F124 WeakPolarHBondContact ND2-CB 3.35Å
81A94.8Very high93.8Very high39 Ų3953.5 Ų53.532%0.32228%0.284SS..Hα-helixtrans-58.2-36.1178.400000112.5V77 V78 N85V77-A81 WeakPolarHBondContact O-CB 3.43Å; V77-A81 PolarHBondContact O-N 2.96Å; V77-A81 VanDerWaalsContact O-N 3.08Å; V78-A81 PolarHBondContact O-N 3.48Å; A81-N85 VanDerWaalsContact O-CB 3.25Å; A81-N85 WeakPolarHBondContact O-CB 3.41Å; A81-N85 PolarHBondContact O-N 2.59Å; A81-N85 PolarHBondContact O-ND2 3.45Å
82H95.9Very high94Very high61 Ų6154.2 Ų54.228%0.28229%0.287SS..Hα-helixtrans-64-50176.9-174.379.7000112D24 V78 G79 N80 Y86D24-H82 IonicContact OD1-NE2 3.06Å; D24-H82 PolarHBondContact OD1-NE2 3.07Å; D24-H82 IonicContact OD2-CD2 3.39Å; D24-H82 IonicContact OD2-CE1 3.82Å; D24-H82 PolarHBondContact OD2-CE1 2.89Å; D24-H82 IonicContact OD2-NE2 3.42Å; D24-H82 PolarHBondContact OD2-NE2 3.27Å; V78-H82 WeakPolarHBondContact O-CB 3.04Å; V78-H82 PolarHBondContact O-N 3.3Å; G79-H82 WeakPolarHBondContact O-CB 3.29Å; G79-H82 PolarHBondContact O-N 3.05Å; N80-H82 PolarHBondContact O-N 3.02Å; H82-Y86 WeakPolarHBondContact O-CB 3.3Å; H82-Y86 PolarHBondContact O-N 2.96Å
83I96.5Very high94.3Very high0 Ų056 Ų560%029%0.292CS..Hα-helixtrans-65.5-41.1179-60.4-56.4000111.2V27 Y30 G79 N80 Y86 A87 V120 L121 F124V27-I83 HydrophobicContact CB-CD1 4.15Å; V27-I83 HydrophobicContact CG2-CD1 3.68Å; Y30-I83 HydrophobicContact CD2-CD1 3.84Å; Y30-I83 HydrophobicContact CD2-CG1 3.74Å; Y30-I83 HydrophobicContact CE2-CG1 4.47Å; Y30-I83 HydrophobicContact CG-CD1 4.31Å; Y30-I83 HydrophobicContact CG-CG1 4.07Å; G79-I83 WeakPolarHBondContact O-CG1 3.23Å; G79-I83 PolarHBondContact O-N 2.97Å; N80-I83 PolarHBondContact O-N 3.33Å; I83-Y86 PolarHBondContact O-N 3.36Å; I83-A87 WeakPolarHBondContact O-CB 3.41Å; I83-A87 PolarHBondContact O-N 2.8Å; I83-V120 HydrophobicContact CG2-CG1 4.42Å; I83-L121 HydrophobicContact CB-CD2 3.76Å; I83-L121 HydrophobicContact CG2-CD2 3.59Å; I83-L121 HydrophobicContact CG2-CG 4.14Å; I83-F124 HydrophobicContact CB-CE2 4.34Å; I83-F124 HydrophobicContact CG1-CE2 4.17Å; I83-F124 HydrophobicContact CG1-CZ 4.33Å
84E95.7Very high94.5Very high57 Ų5755.3 Ų55.327%0.26629%0.288SS..Hα-helixtrans-63.2-51179.7-176.9173.2-141.700111.1N80 Y86 A87 L88 L121 N131N80-E84 WeakPolarHBondContact O-CB 3.33Å; N80-E84 PolarHBondContact O-N 3.39Å; E84-Y86 VanDerWaalsContact C-N 3.26Å; E84-Y86 PolarHBondContact O-N 3.25Å; E84-A87 PolarHBondContact O-N 3.37Å; E84-L88 HydrophobicContact CG-CD1 4.06Å; E84-L88 HydrophobicContact CG-CG 4.48Å; E84-L88 WeakPolarHBondContact O-CB 3.41Å; E84-L88 WeakPolarHBondContact O-CG 3.38Å; E84-L88 PolarHBondContact O-N 2.98Å; E84-L121 HydrophobicContact CB-CD1 4.03Å; E84-L121 HydrophobicContact CB-CD2 4.05Å; E84-L121 HydrophobicContact CG-CD1 4.18Å; E84-N131 PolarHBondContact OE1-ND2 3.03Å
85N95.6Very high94.7Very high104 Ų10452.5 Ų52.556%0.55627%0.268SS*.Hα-helixtrans-60.1-38.4177-75.6-44.8000112.1A81 K89A81-N85 VanDerWaalsContact O-CB 3.25Å; A81-N85 WeakPolarHBondContact O-CB 3.41Å; A81-N85 PolarHBondContact O-N 2.59Å; A81-N85 PolarHBondContact O-ND2 3.45Å; N85-K89 VanDerWaalsContact O-CB 3.3Å; N85-K89 WeakPolarHBondContact O-CB 3.37Å; N85-K89 PolarHBondContact O-N 2.92Å
86Y96Very high94.8Very high42 Ų4251.8 Ų51.817%0.16527%0.267CS..Hα-helixtrans-67-43.6177.7-170.7-106000112H20 V27 H82 I83 E84 K89 M90 L117H20-Y86 AromaticContact CD2-CE1 3.65Å; H20-Y86 AromaticContact CD2-CZ 3.71Å; H20-Y86 PolarHBondContact CD2-OH 2.63Å; H20-Y86 AromaticContact NE2-CE1 3.36Å; H20-Y86 WeakPolarHBondContact NE2-CE1 3.35Å; H20-Y86 AromaticContact NE2-CZ 3.5Å; H20-Y86 PolarHBondContact NE2-OH 3.28Å; V27-Y86 HydrophobicContact CG1-CD1 4.36Å; V27-Y86 HydrophobicContact CG1-CE1 4.29Å; V27-Y86 HydrophobicContact CG2-CD1 3.68Å; V27-Y86 HydrophobicContact CG2-CE1 4.08Å; V27-Y86 HydrophobicContact CG2-CG 4.06Å; H82-Y86 WeakPolarHBondContact O-CB 3.3Å; H82-Y86 PolarHBondContact O-N 2.96Å; I83-Y86 PolarHBondContact O-N 3.36Å; E84-Y86 VanDerWaalsContact C-N 3.26Å; E84-Y86 PolarHBondContact O-N 3.25Å; Y86-K89 PolarHBondContact O-N 3.38Å; Y86-M90 HydrophobicContact CE1-SD 4.13Å; Y86-M90 PolarHBondContact O-N 3.01Å; Y86-L117 HydrophobicContact CD1-CD1 3.52Å; Y86-L117 HydrophobicContact CE1-CD1 3.81Å
87A96.3Very high94.9Very high0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-60.6-51.2175.200000111.3I83 E84 K89 M90 F91 S114 L117 L118I83-A87 WeakPolarHBondContact O-CB 3.41Å; I83-A87 PolarHBondContact O-N 2.8Å; E84-A87 PolarHBondContact O-N 3.37Å; A87-K89 VanDerWaalsContact C-N 3.3Å; A87-K89 PolarHBondContact O-N 3.23Å; A87-M90 PolarHBondContact O-N 3.39Å; A87-M90 VanDerWaalsContact O-N 3.13Å; A87-F91 PolarHBondContact O-N 2.97Å; A87-S114 PolarHBondContact O-OG 3.11Å; A87-S114 VanDerWaalsContact O-OG 3.09Å; A87-L117 HydrophobicContact CB-CB 3.72Å; A87-L117 HydrophobicContact CB-CD1 4.31Å; A87-L118 HydrophobicContact CB-CD2 4.09Å; A87-L118 HydrophobicContact CB-CG 4.19Å
88L94.9Very high94.9Very high36 Ų3641.1 Ų41.119%0.18821%0.209CC..Hα-helixtrans-60.6-38.4179.5-69.2176.6000112.2E84 M90 F91 L92 H134E84-L88 HydrophobicContact CG-CD1 4.06Å; E84-L88 HydrophobicContact CG-CG 4.48Å; E84-L88 WeakPolarHBondContact O-CB 3.41Å; E84-L88 WeakPolarHBondContact O-CG 3.38Å; E84-L88 PolarHBondContact O-N 2.98Å; L88-M90 VanDerWaalsContact C-N 3.32Å; L88-M90 PolarHBondContact O-N 3.31Å; L88-F91 WeakPolarHBondContact O-CB 3.49Å; L88-F91 PolarHBondContact O-N 3.22Å; L88-L92 WeakPolarHBondContact O-CB 3.36Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.49Å; L88-H134 WeakPolarHBondContact CD2-ND1 3.41Å
89K95.4Very high94.8Very high125 Ų12545.4 Ų45.454%0.54322%0.219SC..Hα-helixtrans-60.5-42.3176.1-175.9175.8-179.6177.40112.1N85 Y86 A87 Y93N85-K89 VanDerWaalsContact O-CB 3.3Å; N85-K89 WeakPolarHBondContact O-CB 3.37Å; N85-K89 PolarHBondContact O-N 2.92Å; Y86-K89 PolarHBondContact O-N 3.38Å; A87-K89 VanDerWaalsContact C-N 3.3Å; A87-K89 PolarHBondContact O-N 3.23Å; K89-Y93 WeakPolarHBondContact O-CB 3.45Å; K89-Y93 PolarHBondContact O-N 2.95Å; K89-Y93 VanDerWaalsContact O-N 3.1Å
90M94.4Very high94.6Very high12 Ų1248 Ų486%0.05924%0.238CC..Hα-helixtrans-71.2-37.5176.3-64.2-159.7-39.700112.4Y86 A87 L88 A94 T113 L117Y86-M90 HydrophobicContact CE1-SD 4.13Å; Y86-M90 PolarHBondContact O-N 3.01Å; A87-M90 PolarHBondContact O-N 3.39Å; A87-M90 VanDerWaalsContact O-N 3.13Å; L88-M90 VanDerWaalsContact C-N 3.32Å; L88-M90 PolarHBondContact O-N 3.31Å; M90-A94 PolarHBondContact O-N 3.1Å; M90-T113 VanDerWaalsContact CE-C 3.43Å; M90-T113 VanDerWaalsContact CE-CB 3.46Å; M90-T113 HydrophobicContact CE-CG2 3.57Å; M90-T113 HydrophobicContact SD-CG2 4.36Å; M90-L117 HydrophobicContact CE-CD1 3.55Å
91F95.9Very high94.5Very high11 Ų1147.4 Ų47.45%0.04824%0.243CC..Hα-helixtrans-57.2-54.4173.9-176.5-90.4000111.1A87 L88 Y93 A94 D95 F111 S114 H134 Y137 A138A87-F91 PolarHBondContact O-N 2.97Å; L88-F91 WeakPolarHBondContact O-CB 3.49Å; L88-F91 PolarHBondContact O-N 3.22Å; F91-Y93 VanDerWaalsContact C-N 3.33Å; F91-Y93 PolarHBondContact O-N 3.27Å; F91-A94 PolarHBondContact O-N 3.4Å; F91-A94 VanDerWaalsContact O-N 3.09Å; F91-D95 HydrophobicContact CE1-CB 4.4Å; F91-D95 WeakPolarHBondContact O-CB 3.2Å; F91-D95 PolarHBondContact O-N 3.27Å; F91-F111 HydrophobicContact CD2-CD1 4.29Å; F91-F111 HydrophobicContact CD2-CE1 4.26Å; F91-F111 HydrophobicContact CE2-CD1 4.46Å; F91-F111 HydrophobicContact CE2-CE1 4.2Å; F91-S114 WeakPolarHBondContact CB-OG 3.35Å; F91-H134 HydrophobicContact CD2-CB 4.26Å; F91-H134 AromaticContact CE1-CD2 3.68Å; F91-H134 HydrophobicContact CE2-CB 4Å; F91-H134 WeakPolarHBondContact CE2-O 3.33Å; F91-H134 HydrophobicContact CZ-CB 4.37Å; F91-H134 AromaticContact CZ-CD2 3.52Å; F91-Y137 AromaticContact CE2-CD1 3.59Å; F91-Y137 HydrophobicContact CE2-CD1 3.59Å; F91-Y137 HydrophobicContact CE2-CE1 4.3Å; F91-Y137 AromaticContact CZ-CD1 3.42Å; F91-Y137 HydrophobicContact CZ-CD1 3.42Å; F91-Y137 VanDerWaalsContact CZ-CD1 3.42Å; F91-Y137 AromaticContact CZ-CE1 3.86Å; F91-Y137 HydrophobicContact CZ-CE1 3.86Å; F91-Y137 HydrophobicContact CZ-CG 4.37Å; F91-A138 HydrophobicContact CD2-CB 3.9Å; F91-A138 HydrophobicContact CE2-CB 3.91Å
92L95.4Very high94.3Very high107 Ų10750.8 Ų50.856%0.5625%0.247SC*.Hα-helixtrans-65.1-36-177.5-69.3173.9000112.3L88 N96L88-L92 WeakPolarHBondContact O-CB 3.36Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.41Å; L88-L92 PolarHBondContact O-N 3.49Å; L92-N96 VanDerWaalsContact O-CB 3.28Å; L92-N96 WeakPolarHBondContact O-CB 3.42Å; L92-N96 PolarHBondContact O-N 3.34Å
93Y95.2Very high94.2Very high51 Ų5149.6 Ų49.620%0.224%0.242CC..Hα-helixtrans-58.3-49.9170.5164.1-99000110.9K89 F91 N96 E97 S110K89-Y93 WeakPolarHBondContact O-CB 3.45Å; K89-Y93 PolarHBondContact O-N 2.95Å; K89-Y93 VanDerWaalsContact O-N 3.1Å; F91-Y93 VanDerWaalsContact C-N 3.33Å; F91-Y93 PolarHBondContact O-N 3.27Å; Y93-N96 PolarHBondContact O-N 3.44Å; Y93-E97 HydrophobicContact CE2-CG 4.14Å; Y93-E97 WeakPolarHBondContact O-CG 3.49Å; Y93-E97 PolarHBondContact O-N 3.25Å; Y93-E97 VanDerWaalsContact O-N 3.13Å; Y93-S110 WeakPolarHBondContact CD1-OG 3.35Å; Y93-S110 WeakPolarHBondContact CE1-OG 3.48Å
94A95.1Very high94Very high0 Ų052.5 Ų52.50%026%0.255CS..Hα-helixtrans-67-38.8-17900000112.5M90 F91 E97 D98 M107 F111M90-A94 PolarHBondContact O-N 3.1Å; F91-A94 PolarHBondContact O-N 3.4Å; F91-A94 VanDerWaalsContact O-N 3.09Å; A94-E97 PolarHBondContact O-N 2.9Å; A94-D98 WeakPolarHBondContact O-CB 3.46Å; A94-D98 PolarHBondContact O-N 3.13Å; A94-M107 HydrophobicContact CB-CB 4.43Å; A94-F111 VanDerWaalsContact C-CZ 3.48Å; A94-F111 HydrophobicContact CB-CB 4.33Å; A94-F111 HydrophobicContact CB-CD1 3.63Å; A94-F111 HydrophobicContact CB-CD2 3.52Å; A94-F111 HydrophobicContact CB-CE1 3.71Å; A94-F111 HydrophobicContact CB-CE2 3.62Å; A94-F111 HydrophobicContact CB-CG 3.52Å; A94-F111 HydrophobicContact CB-CZ 3.72Å
95D93.6Very high93.8Very high16 Ų1656.1 Ų56.19%0.08627%0.27CS..Hα-helixtrans-65.2-38.6176.4-168.264.5000111.9F91 D98 R99 F111 Y137F91-D95 HydrophobicContact CE1-CB 4.4Å; F91-D95 WeakPolarHBondContact O-CB 3.2Å; F91-D95 PolarHBondContact O-N 3.27Å; D95-D98 PolarHBondContact O-N 3.4Å; D95-R99 WeakPolarHBondContact O-CB 3.4Å; D95-R99 VanDerWaalsContact O-CG 3.28Å; D95-R99 WeakPolarHBondContact O-CG 3.49Å; D95-R99 PolarHBondContact O-N 2.89Å; D95-R99 IonicContact OD1-NE 2.69Å; D95-R99 IonicContact OD2-CZ 3.35Å; D95-R99 IonicContact OD2-NE 3.42Å; D95-R99 PolarHBondContact OD2-NE 2.76Å; D95-R99 IonicContact OD2-NH2 2.74Å; D95-R99 PolarHBondContact OD2-NH2 3.17Å; D95-R99 VanDerWaalsContact OD2-NH2 3.14Å; D95-F111 HydrophobicContact CB-CE1 4.4Å; D95-F111 HydrophobicContact CB-CZ 4.24Å; D95-Y137 PolarHBondContact OD1-OH 2.97Å
96N94.1Very high93.7Very high81 Ų8154.3 Ų54.343%0.43326%0.26SS..Hα-helixtrans-65.7-39.3174.5-176.375.7000112.4L92 Y93 S100L92-N96 VanDerWaalsContact O-CB 3.28Å; L92-N96 WeakPolarHBondContact O-CB 3.42Å; L92-N96 PolarHBondContact O-N 3.34Å; Y93-N96 PolarHBondContact O-N 3.44Å; N96-S100 VanDerWaalsContact O-CB 3.31Å; N96-S100 WeakPolarHBondContact O-CB 3.37Å; N96-S100 PolarHBondContact O-N 2.85Å; N96-S100 VanDerWaalsContact O-N 3.08Å; N96-S100 PolarHBondContact O-OG 2.97Å
97E93.1Very high93.6Very high19 Ų1952.3 Ų52.39%0.08925%0.252CS..Hα-helixtrans-65.2-43173.4-64.9-54.8108.800111.6Y93 A94 S100 G101 R102 H104 M107Y93-E97 HydrophobicContact CE2-CG 4.14Å; Y93-E97 WeakPolarHBondContact O-CG 3.49Å; Y93-E97 PolarHBondContact O-N 3.25Å; Y93-E97 VanDerWaalsContact O-N 3.13Å; A94-E97 PolarHBondContact O-N 2.9Å; E97-S100 CarbonylContact O-C 3.33Å; E97-S100 PolarHBondContact O-N 2.89Å; E97-G101 PolarHBondContact O-N 3.33Å; E97-R102 HydrophobicContact CB-CB 4.49Å; E97-R102 VanDerWaalsContact CD-NH2 3.33Å; E97-R102 PolarHBondContact O-N 3.34Å; E97-R102 IonicContact OE1-CZ 3.91Å; E97-R102 IonicContact OE1-NE 3.54Å; E97-R102 IonicContact OE1-NH2 3.48Å; E97-R102 PolarHBondContact OE1-NH2 3.02Å; E97-R102 WeakPolarHBondContact OE2-CB 3.43Å; E97-R102 IonicContact OE2-CZ 2.75Å; E97-R102 IonicContact OE2-NE 3.49Å; E97-R102 PolarHBondContact OE2-NE 3.42Å; E97-R102 IonicContact OE2-NH2 2.59Å; E97-R102 PolarHBondContact OE2-NH2 3.36Å; E97-H104 IonicContact OE2-NE2 3.64Å; E97-H104 PolarHBondContact OE2-NE2 3.04Å; E97-M107 HydrophobicContact CB-CB 3.88Å; E97-M107 HydrophobicContact CB-CE 4.26Å; E97-M107 HydrophobicContact CB-CG 4.17Å; E97-M107 HydrophobicContact CG-CB 4.17Å
98D93Very high93.5Very high0 Ų053.2 Ų53.20%026%0.257CS..Hα-helixtrans-59.6-50.6176.5-17887.7000111.7A94 D95 S100 G101 F103 M107 F111 K141 I145 A157 G158A94-D98 WeakPolarHBondContact O-CB 3.46Å; A94-D98 PolarHBondContact O-N 3.13Å; D95-D98 PolarHBondContact O-N 3.4Å; D98-S100 PolarHBondContact O-N 2.77Å; D98-G101 PolarHBondContact O-N 3.33Å; D98-F103 WeakPolarHBondContact OD1-CE1 3.5Å; D98-M107 HydrophobicContact CB-CE 3.73Å; D98-F111 HydrophobicContact CB-CE2 4.2Å; D98-F111 HydrophobicContact CB-CZ 4.34Å; D98-K141 IonicContact OD1-NZ 3.57Å; D98-K141 PolarHBondContact OD1-NZ 3.05Å; D98-K141 IonicContact OD2-NZ 2.72Å; D98-K141 PolarHBondContact OD2-NZ 3.3Å; D98-K141 VanDerWaalsContact OD2-NZ 3.08Å; D98-I145 WeakPolarHBondContact OD1-CD1 3.48Å; D98-A157 VanDerWaalsContact O-CB 3.25Å; D98-A157 WeakPolarHBondContact O-CB 3.45Å; D98-G158 WeakPolarHBondContact OD2-CA 3.45Å; D98-G158 PolarHBondContact OD2-N 3.2Å
99R91.6Very high93.5Very high143 Ų14355.1 Ų55.154%0.5426%0.263SS..Hα-helixtrans-62.5-28.1176.3-71176.4-170.1-101.6-2113.3D95D95-R99 WeakPolarHBondContact O-CB 3.4Å; D95-R99 VanDerWaalsContact O-CG 3.28Å; D95-R99 WeakPolarHBondContact O-CG 3.49Å; D95-R99 PolarHBondContact O-N 2.89Å; D95-R99 IonicContact OD1-NE 2.69Å; D95-R99 IonicContact OD2-CZ 3.35Å; D95-R99 IonicContact OD2-NE 3.42Å; D95-R99 PolarHBondContact OD2-NE 2.76Å; D95-R99 IonicContact OD2-NH2 2.74Å; D95-R99 PolarHBondContact OD2-NH2 3.17Å; D95-R99 VanDerWaalsContact OD2-NH2 3.14Å
100S91.1Very high93.4Very high55 Ų5549.5 Ų49.539%0.38524%0.24SC..THydrogen-bonded Turntrans-82.7-0.6175.3-58.20000113.3N96 E97 D98 R102N96-S100 VanDerWaalsContact O-CB 3.31Å; N96-S100 WeakPolarHBondContact O-CB 3.37Å; N96-S100 PolarHBondContact O-N 2.85Å; N96-S100 VanDerWaalsContact O-N 3.08Å; N96-S100 PolarHBondContact O-OG 2.97Å; E97-S100 CarbonylContact O-C 3.33Å; E97-S100 PolarHBondContact O-N 2.89Å; D98-S100 PolarHBondContact O-N 2.77Å; S100-R102 PolarHBondContact O-N 3.31Å; S100-R102 PolarHBondContact OG-NH1 3.28Å; S100-R102 PolarHBondContact OG-NH2 2.87Å
101G90.9Very high93.6Very high37 Ų3748.9 Ų48.938%0.38124%0.237SC..THydrogen-bonded Turntrans66.419.3-175.200000114E97 D98 F103E97-G101 PolarHBondContact O-N 3.33Å; D98-G101 PolarHBondContact O-N 3.33Å; G101-F103 WeakPolarHBondContact O-CD2 3.31Å; G101-F103 PolarHBondContact O-N 3.36Å
102R90.5Very high93.6Very high110 Ų11052.1 Ų52.142%0.41525%0.249SC..  trans-9487.6-179.5-70.3-165.9-61.9-80.5-8.5110.4E97 S100E97-R102 HydrophobicContact CB-CB 4.49Å; E97-R102 VanDerWaalsContact CD-NH2 3.33Å; E97-R102 PolarHBondContact O-N 3.34Å; E97-R102 IonicContact OE1-CZ 3.91Å; E97-R102 IonicContact OE1-NE 3.54Å; E97-R102 IonicContact OE1-NH2 3.48Å; E97-R102 PolarHBondContact OE1-NH2 3.02Å; E97-R102 WeakPolarHBondContact OE2-CB 3.43Å; E97-R102 IonicContact OE2-CZ 2.75Å; E97-R102 IonicContact OE2-NE 3.49Å; E97-R102 PolarHBondContact OE2-NE 3.42Å; E97-R102 IonicContact OE2-NH2 2.59Å; E97-R102 PolarHBondContact OE2-NH2 3.36Å; S100-R102 PolarHBondContact O-N 3.31Å; S100-R102 PolarHBondContact OG-NH1 3.28Å; S100-R102 PolarHBondContact OG-NH2 2.87Å
103F93Very high93.6Very high36 Ų3647.7 Ų47.716%0.15823%0.227CC..  trans-91.9116.4-179.4-54.3-67.2000111.8D98 G101 M107 I145 L149 T154 P155 A157D98-F103 WeakPolarHBondContact OD1-CE1 3.5Å; G101-F103 WeakPolarHBondContact O-CD2 3.31Å; G101-F103 PolarHBondContact O-N 3.36Å; F103-M107 HydrophobicContact CD1-CE 4.11Å; F103-I145 HydrophobicContact CB-CG2 4.13Å; F103-I145 HydrophobicContact CD1-CD1 4.05Å; F103-I145 HydrophobicContact CD1-CG1 4.23Å; F103-I145 HydrophobicContact CD1-CG2 3.76Å; F103-I145 HydrophobicContact CE1-CD1 4.14Å; F103-I145 HydrophobicContact CE1-CG1 4.34Å; F103-I145 HydrophobicContact CG-CG2 4.28Å; F103-L149 HydrophobicContact CB-CD1 4.32Å; F103-L149 HydrophobicContact CB-CD2 4.07Å; F103-T154 HydrophobicContact CE2-CG2 4.44Å; F103-P155 HydrophobicContact CB-CG 4.21Å; F103-P155 HydrophobicContact CD1-CB 4.09Å; F103-P155 HydrophobicContact CD1-CG 3.81Å; F103-P155 HydrophobicContact CD2-CB 4.28Å; F103-P155 HydrophobicContact CD2-CG 3.76Å; F103-P155 HydrophobicContact CE1-CB 3.82Å; F103-P155 HydrophobicContact CE1-CG 4.05Å; F103-P155 HydrophobicContact CE2-CB 4.01Å; F103-P155 HydrophobicContact CE2-CG 4.01Å; F103-P155 WeakPolarHBondContact CE2-O 3.39Å; F103-P155 HydrophobicContact CG-CB 4.3Å; F103-P155 HydrophobicContact CG-CG 3.64Å; F103-P155 HydrophobicContact CZ-CB 3.77Å; F103-P155 HydrophobicContact CZ-CG 4.14Å; F103-P155 VanDerWaalsContact CZ-O 3.32Å; F103-P155 WeakPolarHBondContact CZ-O 3.24Å; F103-A157 HydrophobicContact CZ-CB 4.26Å
104H92.6Very high93.7Very high61 Ų6145.3 Ų45.328%0.28222%0.218SC..  trans-154.3165.1178.356.956.5000112.4E97 N106 M107 I108E97-H104 IonicContact OE2-NE2 3.64Å; E97-H104 PolarHBondContact OE2-NE2 3.04Å; H104-N106 PolarHBondContact ND1-N 3.16Å; H104-N106 PolarHBondContact O-N 3.4Å; H104-M107 PolarHBondContact CE1-N 3.45Å; H104-M107 PolarHBondContact ND1-N 3.19Å; H104-M107 VanDerWaalsContact ND1-N 3.19Å; H104-M107 VanDerWaalsContact O-CG 3.27Å; H104-M107 WeakPolarHBondContact O-CG 3.15Å; H104-M107 PolarHBondContact O-N 3.27Å; H104-M107 VanDerWaalsContact O-N 3.12Å; H104-I108 PolarHBondContact O-N 3.46Å
105K92.6Very high93.7Very high133 Ų13345.3 Ų45.358%0.57822%0.218SC*.Hα-helixtrans-54.9-34.2-175.6-64.4-175.9179.5-178.50114.3K109K105-K109 VanDerWaalsContact O-CG 3.31Å; K105-K109 WeakPolarHBondContact O-CG 3.31Å; K105-K109 PolarHBondContact O-N 3.18Å
106N92.6Very high93.9Very high65 Ų6544.8 Ų44.835%0.34822%0.215SC..Hα-helixtrans-69-35.8-178.4-67.9-14.5000113.3H104 K109 S110H104-N106 PolarHBondContact ND1-N 3.16Å; H104-N106 PolarHBondContact O-N 3.4Å; N106-K109 PolarHBondContact O-N 3.46Å; N106-S110 PolarHBondContact O-N 3.39Å; N106-S110 PolarHBondContact O-OG 2.83Å; N106-S110 VanDerWaalsContact O-OG 3.13Å
107M94.2Very high94Very high0 Ų041 Ų410%019%0.194CC..Hα-helixtrans-76.2-35.8-179.664.878.678.900111A94 E97 D98 F103 H104 K109 S110 F111 I145A94-M107 HydrophobicContact CB-CB 4.43Å; E97-M107 HydrophobicContact CB-CB 3.88Å; E97-M107 HydrophobicContact CB-CE 4.26Å; E97-M107 HydrophobicContact CB-CG 4.17Å; E97-M107 HydrophobicContact CG-CB 4.17Å; D98-M107 HydrophobicContact CB-CE 3.73Å; F103-M107 HydrophobicContact CD1-CE 4.11Å; H104-M107 PolarHBondContact CE1-N 3.45Å; H104-M107 PolarHBondContact ND1-N 3.19Å; H104-M107 VanDerWaalsContact ND1-N 3.19Å; H104-M107 VanDerWaalsContact O-CG 3.27Å; H104-M107 WeakPolarHBondContact O-CG 3.15Å; H104-M107 PolarHBondContact O-N 3.27Å; H104-M107 VanDerWaalsContact O-N 3.12Å; M107-K109 VanDerWaalsContact C-N 3.33Å; M107-K109 PolarHBondContact O-N 2.87Å; M107-S110 PolarHBondContact O-N 3.08Å; M107-F111 HydrophobicContact CE-CD2 4.29Å; M107-F111 HydrophobicContact CE-CE2 3.85Å; M107-F111 PolarHBondContact O-N 2.9Å; M107-I145 HydrophobicContact CE-CD1 3.52Å; M107-I145 HydrophobicContact SD-CD1 3.71Å; M107-I145 HydrophobicContact SD-CG2 4.01Å
108I95Very high94.1Very high19 Ų1940 Ų4010%0.09719%0.19CC..Hα-helixtrans-57.7-47.7169.6-61.7168.4000110.4H104 S110 F111 Y112 A142 I145 H146 L149H104-I108 PolarHBondContact O-N 3.46Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 3.12Å; I108-F111 PolarHBondContact O-N 3.16Å; I108-Y112 WeakPolarHBondContact O-CB 3.32Å; I108-Y112 PolarHBondContact O-N 3.31Å; I108-A142 HydrophobicContact CG2-CB 4.35Å; I108-I145 HydrophobicContact CD1-CG2 3.91Å; I108-I145 HydrophobicContact CG1-CB 4.17Å; I108-I145 HydrophobicContact CG1-CG2 3.76Å; I108-H146 HydrophobicContact CD1-CB 4.17Å; I108-H146 HydrophobicContact CG2-CB 4.21Å; I108-L149 HydrophobicContact CD1-CD1 3.83Å
109K93.3Very high94.2Very high76 Ų7640.5 Ų40.533%0.3319%0.193SC..Hα-helixtrans-59.8-44.4175.9-75.4178.2179.5-171.40111.5K105 N106 M107 Y112 T113 I234K105-K109 VanDerWaalsContact O-CG 3.31Å; K105-K109 WeakPolarHBondContact O-CG 3.31Å; K105-K109 PolarHBondContact O-N 3.18Å; N106-K109 PolarHBondContact O-N 3.46Å; M107-K109 VanDerWaalsContact C-N 3.33Å; M107-K109 PolarHBondContact O-N 2.87Å; K109-Y112 PolarHBondContact O-N 2.94Å; K109-T113 WeakPolarHBondContact O-CB 3.45Å; K109-T113 PolarHBondContact O-N 3.26Å; K109-T113 PolarHBondContact O-OG1 3.28Å; K109-I234 HydrophobicContact CD-CD1 3.96Å
110S95.1Very high94.5Very high7 Ų733.7 Ų33.75%0.04917%0.167CC..Hα-helixtrans-61.7-44.2178.2-69.10000112.7Y93 N106 M107 I108 S114Y93-S110 WeakPolarHBondContact CD1-OG 3.35Å; Y93-S110 WeakPolarHBondContact CE1-OG 3.48Å; N106-S110 PolarHBondContact O-N 3.39Å; N106-S110 PolarHBondContact O-OG 2.83Å; N106-S110 VanDerWaalsContact O-OG 3.13Å; M107-S110 PolarHBondContact O-N 3.08Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 3.12Å; S110-S114 WeakPolarHBondContact O-CB 3.28Å; S110-S114 PolarHBondContact O-N 3.45Å
111F96.9Very high94.6Very high0 Ų031.4 Ų31.40%015%0.15CC..Hα-helixtrans-61-48.5172.6-85.9-50.4000111.9F91 A94 D95 D98 M107 I108 S114 S115 Y137 A138 K141 A142 I145F91-F111 HydrophobicContact CD2-CD1 4.29Å; F91-F111 HydrophobicContact CD2-CE1 4.26Å; F91-F111 HydrophobicContact CE2-CD1 4.46Å; F91-F111 HydrophobicContact CE2-CE1 4.2Å; A94-F111 VanDerWaalsContact C-CZ 3.48Å; A94-F111 HydrophobicContact CB-CB 4.33Å; A94-F111 HydrophobicContact CB-CD1 3.63Å; A94-F111 HydrophobicContact CB-CD2 3.52Å; A94-F111 HydrophobicContact CB-CE1 3.71Å; A94-F111 HydrophobicContact CB-CE2 3.62Å; A94-F111 HydrophobicContact CB-CG 3.52Å; A94-F111 HydrophobicContact CB-CZ 3.72Å; D95-F111 HydrophobicContact CB-CE1 4.4Å; D95-F111 HydrophobicContact CB-CZ 4.24Å; D98-F111 HydrophobicContact CB-CE2 4.2Å; D98-F111 HydrophobicContact CB-CZ 4.34Å; M107-F111 HydrophobicContact CE-CD2 4.29Å; M107-F111 HydrophobicContact CE-CE2 3.85Å; M107-F111 PolarHBondContact O-N 2.9Å; I108-F111 PolarHBondContact O-N 3.16Å; F111-S114 WeakPolarHBondContact O-CB 3.47Å; F111-S114 PolarHBondContact O-N 3.13Å; F111-S115 PolarHBondContact O-N 2.91Å; F111-Y137 HydrophobicContact CE1-CD1 4.31Å; F111-Y137 AromaticContact CE1-CE1 3.97Å; F111-Y137 HydrophobicContact CE1-CE1 3.97Å; F111-Y137 HydrophobicContact CZ-CE1 4.11Å; F111-A138 HydrophobicContact CB-CB 4.45Å; F111-A138 HydrophobicContact CD1-CB 3.96Å; F111-A138 WeakPolarHBondContact O-CB 3.3Å; F111-K141 HydrophobicContact CD2-CB 4.12Å; F111-K141 HydrophobicContact CE2-CB 4.04Å; F111-K141 HydrophobicContact CG-CB 4.46Å; F111-K141 HydrophobicContact CZ-CB 4.31Å; F111-A142 HydrophobicContact CB-CB 3.9Å; F111-I145 HydrophobicContact CD2-CD1 4.43Å; F111-I145 HydrophobicContact CE2-CD1 4.21Å
112Y96.2Very high94.8Very high78 Ų7832 Ų3231%0.30615%0.149SC..Hα-helixtrans-61.8-51.1-178.5-177.6-110.7000111.9H12 I108 K109 S114 S115 L116H12-Y112 PolarHBondContact ND1-OH 3.43Å; I108-Y112 WeakPolarHBondContact O-CB 3.32Å; I108-Y112 PolarHBondContact O-N 3.31Å; K109-Y112 PolarHBondContact O-N 2.94Å; Y112-S114 VanDerWaalsContact C-N 3.29Å; Y112-S114 PolarHBondContact O-N 3.09Å; Y112-S115 WeakPolarHBondContact O-CB 3.36Å; Y112-S115 PolarHBondContact O-N 3.41Å; Y112-S115 VanDerWaalsContact O-N 3.12Å; Y112-S115 PolarHBondContact O-OG 3.17Å; Y112-L116 HydrophobicContact CD1-CD1 4.1Å; Y112-L116 HydrophobicContact CE1-CD1 3.62Å; Y112-L116 HydrophobicContact CE1-CG 4.3Å; Y112-L116 PolarHBondContact O-N 3.33Å; Y112-L116 VanDerWaalsContact O-N 3.13Å
113T95.8Very high95Very high15 Ų1527.9 Ų27.99%0.09214%0.135CC..Hα-helixtrans-64.4-34.9178.3-510000111.3T16 M90 K109 S115 L116 L117T16-T113 HydrophobicContact CG2-CG2 3.64Å; M90-T113 VanDerWaalsContact CE-C 3.43Å; M90-T113 VanDerWaalsContact CE-CB 3.46Å; M90-T113 HydrophobicContact CE-CG2 3.57Å; M90-T113 HydrophobicContact SD-CG2 4.36Å; K109-T113 WeakPolarHBondContact O-CB 3.45Å; K109-T113 PolarHBondContact O-N 3.26Å; K109-T113 PolarHBondContact O-OG1 3.28Å; T113-S115 VanDerWaalsContact C-N 3.32Å; T113-S115 PolarHBondContact O-N 3.17Å; T113-L116 PolarHBondContact O-N 3.49Å; T113-L117 HydrophobicContact CG2-CD1 4.43Å; T113-L117 WeakPolarHBondContact O-CG 3.46Å; T113-L117 PolarHBondContact O-N 3Å
114S96.5Very high95Very high0 Ų027.3 Ų27.30%013%0.133CC..Hα-helixtrans-60.7-43.2173.3-179.40000111.1A87 F91 S110 F111 Y112 L116 L117 L118A87-S114 PolarHBondContact O-OG 3.11Å; A87-S114 VanDerWaalsContact O-OG 3.09Å; F91-S114 WeakPolarHBondContact CB-OG 3.35Å; S110-S114 WeakPolarHBondContact O-CB 3.28Å; S110-S114 PolarHBondContact O-N 3.45Å; F111-S114 WeakPolarHBondContact O-CB 3.47Å; F111-S114 PolarHBondContact O-N 3.13Å; Y112-S114 VanDerWaalsContact C-N 3.29Å; Y112-S114 PolarHBondContact O-N 3.09Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.9Å; S114-L117 PolarHBondContact O-N 3.1Å; S114-L118 VanDerWaalsContact O-CG 3.3Å; S114-L118 WeakPolarHBondContact O-CG 3.41Å; S114-L118 PolarHBondContact O-N 3.18Å
115S96.6Very high94.9Very high0 Ų026.4 Ų26.40%014%0.14CC..Hα-helixtrans-62.1-38.4177.5790000112.2F111 Y112 T113 L118 D119F111-S115 PolarHBondContact O-N 2.91Å; Y112-S115 WeakPolarHBondContact O-CB 3.36Å; Y112-S115 PolarHBondContact O-N 3.41Å; Y112-S115 VanDerWaalsContact O-N 3.12Å; Y112-S115 PolarHBondContact O-OG 3.17Å; T113-S115 VanDerWaalsContact C-N 3.32Å; T113-S115 PolarHBondContact O-N 3.17Å; S115-L118 PolarHBondContact O-N 3.17Å; S115-D119 PolarHBondContact O-N 3.28Å; S115-D119 VanDerWaalsContact O-N 3.08Å
116L96.3Very high94.8Very high6 Ų629.6 Ų29.63%0.03116%0.157CC..Hα-helixtrans-67.8-39.4176.4-64177.3000112.1H12 Y13 Y112 T113 S114 L118 D119 V120H12-L116 HydrophobicContact CB-CD1 4.01Å; H12-L116 HydrophobicContact CB-CD2 4.32Å; Y13-L116 HydrophobicContact CD1-CB 4.3Å; Y13-L116 HydrophobicContact CD1-CD2 4.36Å; Y13-L116 HydrophobicContact CE1-CB 4.08Å; Y13-L116 HydrophobicContact CE1-CD2 3.81Å; Y13-L116 HydrophobicContact CE2-CD2 4.4Å; Y112-L116 HydrophobicContact CD1-CD1 4.1Å; Y112-L116 HydrophobicContact CE1-CD1 3.62Å; Y112-L116 HydrophobicContact CE1-CG 4.3Å; Y112-L116 PolarHBondContact O-N 3.33Å; Y112-L116 VanDerWaalsContact O-N 3.13Å; T113-L116 PolarHBondContact O-N 3.49Å; S114-L116 VanDerWaalsContact C-N 3.3Å; S114-L116 PolarHBondContact O-N 2.9Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L116-D119 WeakPolarHBondContact O-CB 3.49Å; L116-D119 PolarHBondContact O-N 3.19Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 3.3Å
117L96.4Very high94.7Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-69-34.7177.2-68.8170.5000112V27 Y86 A87 M90 T113 S114 D119 V120 L121V27-L117 HydrophobicContact CG1-CD2 3.62Å; Y86-L117 HydrophobicContact CD1-CD1 3.52Å; Y86-L117 HydrophobicContact CE1-CD1 3.81Å; A87-L117 HydrophobicContact CB-CB 3.72Å; A87-L117 HydrophobicContact CB-CD1 4.31Å; M90-L117 HydrophobicContact CE-CD1 3.55Å; T113-L117 HydrophobicContact CG2-CD1 4.43Å; T113-L117 WeakPolarHBondContact O-CG 3.46Å; T113-L117 PolarHBondContact O-N 3Å; S114-L117 PolarHBondContact O-N 3.1Å; L117-D119 VanDerWaalsContact C-N 3.31Å; L117-V120 WeakPolarHBondContact O-CB 3.42Å; L117-V120 PolarHBondContact O-N 3.37Å; L117-V120 VanDerWaalsContact O-N 3.15Å; L117-L121 PolarHBondContact O-N 3.47Å; L117-L121 VanDerWaalsContact O-N 3.08Å
118L96.3Very high94.6Very high0 Ų030.5 Ų30.50%017%0.166CC..Hα-helixtrans-64.6-36.6171.7-68.2169.5000111.3A87 S114 S115 L116 V120 L121 L127 N131 H134 R135A87-L118 HydrophobicContact CB-CD2 4.09Å; A87-L118 HydrophobicContact CB-CG 4.19Å; S114-L118 VanDerWaalsContact O-CG 3.3Å; S114-L118 WeakPolarHBondContact O-CG 3.41Å; S114-L118 PolarHBondContact O-N 3.18Å; S115-L118 PolarHBondContact O-N 3.17Å; L116-L118 VanDerWaalsContact C-N 3.33Å; L118-V120 VanDerWaalsContact C-N 3.35Å; L118-L121 HydrophobicContact CD2-CD1 3.81Å; L118-L121 WeakPolarHBondContact O-CB 3.46Å; L118-L121 PolarHBondContact O-N 3.39Å; L118-L127 WeakPolarHBondContact O-CD2 3.16Å; L118-N131 HydrophobicContact CD2-CB 4.08Å; L118-H134 HydrophobicContact CD1-CB 3.67Å; L118-R135 HydrophobicContact CB-CB 3.93Å; L118-R135 HydrophobicContact CB-CG 4.29Å; L118-R135 HydrophobicContact CD1-CB 3.92Å; L118-R135 VanDerWaalsContact CD1-N 3.35Å
119D95.3Very high94.5Very high10 Ų1037.9 Ų37.95%0.05320%0.2CC..Hα-helixtrans-62.4-41.6169.2-81.4-34.1000112.1Y13 Y34 S115 L116 L117 L121 S122 R135 R139Y13-D119 HydrophobicContact CE1-CB 3.84Å; Y13-D119 WeakPolarHBondContact OH-CB 3.3Å; Y13-D119 PolarHBondContact OH-OD2 2.73Å; Y13-D119 VanDerWaalsContact OH-OD2 3.07Å; Y34-D119 HydrophobicContact CE2-CB 4.5Å; Y34-D119 WeakPolarHBondContact CE2-O 3.47Å; S115-D119 PolarHBondContact O-N 3.28Å; S115-D119 VanDerWaalsContact O-N 3.08Å; L116-D119 WeakPolarHBondContact O-CB 3.49Å; L116-D119 PolarHBondContact O-N 3.19Å; L117-D119 VanDerWaalsContact C-N 3.31Å; D119-L121 PolarHBondContact O-N 2.93Å; D119-S122 WeakPolarHBondContact O-CB 3.38Å; D119-S122 PolarHBondContact O-N 3.12Å; D119-S122 PolarHBondContact O-OG 3.42Å; D119-R135 WeakPolarHBondContact OD1-CD 3.45Å; D119-R135 IonicContact OD1-CZ 2.69Å; D119-R135 IonicContact OD1-NE 3.89Å; D119-R135 IonicContact OD1-NH1 3.01Å; D119-R135 PolarHBondContact OD1-NH1 2.69Å; D119-R139 IonicContact OD2-CZ 2.85Å; D119-R139 IonicContact OD2-NH2 3.71Å; D119-R139 PolarHBondContact OD2-NH2 3.08Å
120V96.4Very high94.3Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-60.1-29.8176.81710000112Y13 Y30 Y34 I83 L116 L117 L118 S122 V123Y13-V120 HydrophobicContact CD1-CG2 3.88Å; Y13-V120 HydrophobicContact CE1-CG2 4.3Å; Y30-V120 WeakPolarHBondContact O-CG1 3.4Å; Y34-V120 HydrophobicContact CD1-CG2 4.31Å; Y34-V120 HydrophobicContact CG-CG2 4.01Å; I83-V120 HydrophobicContact CG2-CG1 4.42Å; L116-V120 WeakPolarHBondContact O-CG2 3.4Å; L116-V120 PolarHBondContact O-N 3.3Å; L117-V120 WeakPolarHBondContact O-CB 3.42Å; L117-V120 PolarHBondContact O-N 3.37Å; L117-V120 VanDerWaalsContact O-N 3.15Å; L118-V120 VanDerWaalsContact C-N 3.35Å; V120-S122 PolarHBondContact O-N 3.18Å; V120-V123 WeakPolarHBondContact O-CG1 3.39Å; V120-V123 WeakPolarHBondContact O-CG2 3.33Å; V120-V123 PolarHBondContact O-N 3.13Å; V120-V123 VanDerWaalsContact O-N 3.09Å
121L95.1Very high94.2Very high7 Ų740.2 Ų40.24%0.03721%0.211CC..G310 helixtrans-58.7-20.5175.7-69.6176000113.4I83 E84 L117 L118 D119 V123 F124I83-L121 HydrophobicContact CB-CD2 3.76Å; I83-L121 HydrophobicContact CG2-CD2 3.59Å; I83-L121 HydrophobicContact CG2-CG 4.14Å; E84-L121 HydrophobicContact CB-CD1 4.03Å; E84-L121 HydrophobicContact CB-CD2 4.05Å; E84-L121 HydrophobicContact CG-CD1 4.18Å; L117-L121 PolarHBondContact O-N 3.47Å; L117-L121 VanDerWaalsContact O-N 3.08Å; L118-L121 HydrophobicContact CD2-CD1 3.81Å; L118-L121 WeakPolarHBondContact O-CB 3.46Å; L118-L121 PolarHBondContact O-N 3.39Å; D119-L121 PolarHBondContact O-N 2.93Å; L121-V123 PolarHBondContact O-N 3.39Å; L121-V123 VanDerWaalsContact O-N 3.09Å; L121-F124 HydrophobicContact CD2-CD2 4.04Å; L121-F124 HydrophobicContact CD2-CE2 4.12Å; L121-F124 WeakPolarHBondContact O-CD2 3.4Å; L121-F124 PolarHBondContact O-N 3.35Å; L121-F124 VanDerWaalsContact O-N 3.08Å
122S94.1Very high94Very high50 Ų5042.9 Ų42.935%0.3523%0.225SC..G310 helixtrans-65.9-12177.692.20000113.7Y34 D119 V120 F124 G125 L127Y34-S122 WeakPolarHBondContact CE2-OG 3.31Å; D119-S122 WeakPolarHBondContact O-CB 3.38Å; D119-S122 PolarHBondContact O-N 3.12Å; D119-S122 PolarHBondContact O-OG 3.42Å; V120-S122 PolarHBondContact O-N 3.18Å; S122-F124 PolarHBondContact O-N 2.74Å; S122-G125 WeakPolarHBondContact CA-O 3.38Å; S122-G125 PolarHBondContact O-N 3.37Å; S122-L127 VanDerWaalsContact CB-CD1 3.5Å
123V94.3Very high93.8Very high22 Ų2242.7 Ų42.713%0.13323%0.227CC..G310 helixtrans-67.4-21.9173.4-57.60000112.4Y30 Y34 V120 L121Y30-V123 HydrophobicContact CD1-CG2 3.99Å; Y34-V123 HydrophobicContact CD2-CG1 3.82Å; Y34-V123 HydrophobicContact CG-CG1 4.25Å; V120-V123 WeakPolarHBondContact O-CG1 3.39Å; V120-V123 WeakPolarHBondContact O-CG2 3.33Å; V120-V123 PolarHBondContact O-N 3.13Å; V120-V123 VanDerWaalsContact O-N 3.09Å; L121-V123 PolarHBondContact O-N 3.39Å; L121-V123 VanDerWaalsContact O-N 3.09Å
124F93.1Very high93.7Very high24 Ų2443.7 Ų43.711%0.10523%0.231CC..G310 helixtrans-94.2-2.8-179.7-55.3-68.3000113.2Y30 E76 N80 I83 L121 S122Y30-F124 AromaticContact CD1-CE1 3.9Å; Y30-F124 HydrophobicContact CD1-CE1 3.9Å; Y30-F124 HydrophobicContact CD1-CE2 4.21Å; Y30-F124 AromaticContact CD1-CZ 3.41Å; Y30-F124 HydrophobicContact CD1-CZ 3.41Å; Y30-F124 VanDerWaalsContact CD1-CZ 3.41Å; Y30-F124 HydrophobicContact CD2-CZ 4.1Å; Y30-F124 HydrophobicContact CE1-CD1 4.45Å; Y30-F124 AromaticContact CE1-CE1 3.27Å; Y30-F124 HydrophobicContact CE1-CE1 3.27Å; Y30-F124 HydrophobicContact CE1-CE2 4.37Å; Y30-F124 AromaticContact CE1-CZ 3.21Å; Y30-F124 HydrophobicContact CE1-CZ 3.21Å; Y30-F124 HydrophobicContact CE2-CE1 4.43Å; Y30-F124 AromaticContact CE2-CZ 3.91Å; Y30-F124 HydrophobicContact CE2-CZ 3.91Å; Y30-F124 AromaticContact CG-CZ 3.86Å; Y30-F124 HydrophobicContact CG-CZ 3.86Å; Y30-F124 AromaticContact CZ-CE1 3.57Å; Y30-F124 AromaticContact CZ-CZ 3.46Å; Y30-F124 VanDerWaalsContact CZ-CZ 3.46Å; E76-F124 HydrophobicContact CG-CD1 3.44Å; E76-F124 VanDerWaalsContact CG-CD1 3.44Å; E76-F124 HydrophobicContact CG-CE1 3.94Å; N80-F124 HydrophobicContact CB-CB 4.14Å; N80-F124 HydrophobicContact CB-CD1 3.95Å; N80-F124 HydrophobicContact CB-CD2 3.8Å; N80-F124 HydrophobicContact CB-CE1 4.2Å; N80-F124 HydrophobicContact CB-CE2 4.12Å; N80-F124 HydrophobicContact CB-CG 3.7Å; N80-F124 HydrophobicContact CB-CZ 4.28Å; N80-F124 WeakPolarHBondContact ND2-CB 3.35Å; I83-F124 HydrophobicContact CB-CE2 4.34Å; I83-F124 HydrophobicContact CG1-CE2 4.17Å; I83-F124 HydrophobicContact CG1-CZ 4.33Å; L121-F124 HydrophobicContact CD2-CD2 4.04Å; L121-F124 HydrophobicContact CD2-CE2 4.12Å; L121-F124 WeakPolarHBondContact O-CD2 3.4Å; L121-F124 PolarHBondContact O-N 3.35Å; L121-F124 VanDerWaalsContact O-N 3.08Å; S122-F124 PolarHBondContact O-N 2.74Å
125G91.4Very high93.6Very high42 Ų4246.8 Ų46.843%0.43324%0.243SC..SBendtrans128.3-154.1-177.800000113.5S122S122-G125 WeakPolarHBondContact CA-O 3.38Å; S122-G125 PolarHBondContact O-N 3.37Å
126E90.6Very high93.5Very high201 Ų20151.7 Ų51.794%0.93926%0.264SS*.SBendtrans-72.7136.3179.3-65.1-175.8166.900111.1
127L90.4Very high93.4Very high32 Ų3252.7 Ų52.717%0.16827%0.267CS..PPolyproline II helixtrans-72.4144.3175.8-82.367.4000110.3L118 S122 N131 I132L118-L127 WeakPolarHBondContact O-CD2 3.16Å; S122-L127 VanDerWaalsContact CB-CD1 3.5Å; L127-N131 HydrophobicContact CB-CB 4.33Å; L127-N131 HydrophobicContact CD2-CB 4.36Å; L127-N131 HydrophobicContact CG-CB 4.44Å; L127-I132 HydrophobicContact CB-CD1 4.32Å; L127-I132 HydrophobicContact CB-CG1 3.81Å; L127-I132 HydrophobicContact CD2-CG1 4.3Å
128S92.1Very high93.3Very high52 Ų5252.7 Ų52.736%0.36427%0.267SS..PPolyproline II helixtrans-62.4153.1166.9670000111.3E130 N131 I132S128-E130 PolarHBondContact O-N 2.93Å; S128-N131 PolarHBondContact O-N 3.19Å; S128-N131 VanDerWaalsContact O-N 3.07Å; S128-N131 WeakPolarHBondContact OG-CB 3.4Å; S128-N131 PolarHBondContact OG-N 2.83Å; S128-N131 PolarHBondContact OG-ND2 2.91Å; S128-N131 VanDerWaalsContact OG-ND2 3.12Å; S128-I132 WeakPolarHBondContact O-CG1 3.34Å; S128-I132 PolarHBondContact O-N 3.13Å
129E91.6Very high93.2Very high174 Ų17456.3 Ų56.381%0.81328%0.281SS*.Hα-helixtrans-56-37.9175.9-69.9178.7-17300111.9I132 Q133E129-I132 PolarHBondContact O-N 3.09Å; E129-Q133 PolarHBondContact O-N 3.05Å
130E90.6Very high93.2Very high124 Ų12459 Ų5958%0.57929%0.29SS*.Hα-helixtrans-61.6-46.1175.1-175.8175.4-177.400111.8S128 I132 Q133 H134S128-E130 PolarHBondContact O-N 2.93Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 3.09Å; E130-Q133 PolarHBondContact O-N 3.42Å; E130-H134 VanDerWaalsContact CG-CE1 3.47Å; E130-H134 WeakPolarHBondContact CG-CE1 3.45Å; E130-H134 PolarHBondContact O-N 3.37Å; E130-H134 IonicContact OE1-CE1 3.63Å; E130-H134 PolarHBondContact OE1-CE1 3.17Å
131N91.6Very high93Very high7 Ų759 Ų594%0.03729%0.29CS..Hα-helixtrans-66.1-35.4177.5-74.8-23.2000112.2E84 L118 L127 S128 R135E84-N131 PolarHBondContact OE1-ND2 3.03Å; L118-N131 HydrophobicContact CD2-CB 4.08Å; L127-N131 HydrophobicContact CB-CB 4.33Å; L127-N131 HydrophobicContact CD2-CB 4.36Å; L127-N131 HydrophobicContact CG-CB 4.44Å; S128-N131 PolarHBondContact O-N 3.19Å; S128-N131 VanDerWaalsContact O-N 3.07Å; S128-N131 WeakPolarHBondContact OG-CB 3.4Å; S128-N131 PolarHBondContact OG-N 2.83Å; S128-N131 PolarHBondContact OG-ND2 2.91Å; S128-N131 VanDerWaalsContact OG-ND2 3.12Å; N131-R135 VanDerWaalsContact O-CB 3.25Å; N131-R135 WeakPolarHBondContact O-CB 3.15Å; N131-R135 PolarHBondContact O-N 2.95Å
132I93.2Very high93Very high57 Ų5758.9 Ų58.929%0.29229%0.29SS..Hα-helixtrans-62.5-45.2173-66.8168.8000110.1L127 S128 E129 E130 R135 K136L127-I132 HydrophobicContact CB-CD1 4.32Å; L127-I132 HydrophobicContact CB-CG1 3.81Å; L127-I132 HydrophobicContact CD2-CG1 4.3Å; S128-I132 WeakPolarHBondContact O-CG1 3.34Å; S128-I132 PolarHBondContact O-N 3.13Å; E129-I132 PolarHBondContact O-N 3.09Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 3.09Å; I132-R135 PolarHBondContact O-N 3.47Å; I132-K136 HydrophobicContact CG2-CD 4.48Å; I132-K136 WeakPolarHBondContact O-CG 3.48Å; I132-K136 PolarHBondContact O-N 2.92Å
133Q93.2Very high93Very high73 Ų7359 Ų5934%0.34129%0.289SS..Hα-helixtrans-66.2-46.7179.4-172.161.422.400111.8E129 E130 R135 K136 Y137E129-Q133 PolarHBondContact O-N 3.05Å; E130-Q133 PolarHBondContact O-N 3.42Å; Q133-R135 VanDerWaalsContact C-N 3.29Å; Q133-R135 PolarHBondContact O-N 3.44Å; Q133-K136 PolarHBondContact O-N 3.12Å; Q133-Y137 WeakPolarHBondContact O-CB 3.33Å; Q133-Y137 PolarHBondContact O-N 2.9Å
134H92.9Very high92.9Very high37 Ų3761 Ų6117%0.17130%0.295CS..Hα-helixtrans-59-40.8175.2-72.3155.2000111.9L88 F91 L118 E130 A138L88-H134 WeakPolarHBondContact CD2-ND1 3.41Å; F91-H134 HydrophobicContact CD2-CB 4.26Å; F91-H134 AromaticContact CE1-CD2 3.68Å; F91-H134 HydrophobicContact CE2-CB 4Å; F91-H134 WeakPolarHBondContact CE2-O 3.33Å; F91-H134 HydrophobicContact CZ-CB 4.37Å; F91-H134 AromaticContact CZ-CD2 3.52Å; L118-H134 HydrophobicContact CD1-CB 3.67Å; E130-H134 VanDerWaalsContact CG-CE1 3.47Å; E130-H134 WeakPolarHBondContact CG-CE1 3.45Å; E130-H134 PolarHBondContact O-N 3.37Å; E130-H134 IonicContact OE1-CE1 3.63Å; E130-H134 PolarHBondContact OE1-CE1 3.17Å; H134-A138 WeakPolarHBondContact O-CB 3.44Å; H134-A138 PolarHBondContact O-N 2.97Å
135R94.8Very high92.9Very high65 Ų6559.9 Ų59.925%0.24529%0.29CS..Hα-helixtrans-61.9-49.5177.2-178.9-173.861.8-177.8-0.8111.2L118 D119 N131 I132 Q133 R139L118-R135 HydrophobicContact CB-CB 3.93Å; L118-R135 HydrophobicContact CB-CG 4.29Å; L118-R135 HydrophobicContact CD1-CB 3.92Å; L118-R135 VanDerWaalsContact CD1-N 3.35Å; D119-R135 WeakPolarHBondContact OD1-CD 3.45Å; D119-R135 IonicContact OD1-CZ 2.69Å; D119-R135 IonicContact OD1-NE 3.89Å; D119-R135 IonicContact OD1-NH1 3.01Å; D119-R135 PolarHBondContact OD1-NH1 2.69Å; N131-R135 VanDerWaalsContact O-CB 3.25Å; N131-R135 WeakPolarHBondContact O-CB 3.15Å; N131-R135 PolarHBondContact O-N 2.95Å; I132-R135 PolarHBondContact O-N 3.47Å; Q133-R135 VanDerWaalsContact C-N 3.29Å; Q133-R135 PolarHBondContact O-N 3.44Å; R135-R139 WeakPolarHBondContact O-CB 3.33Å; R135-R139 PolarHBondContact O-N 3.28Å
136K93.7Very high93Very high102 Ų10261.3 Ų61.344%0.44329%0.285SS..Hα-helixtrans-59.1-51.4178.8-75-177.6177.2-170.70110.8I132 Q133 R139 W140 E164I132-K136 HydrophobicContact CG2-CD 4.48Å; I132-K136 WeakPolarHBondContact O-CG 3.48Å; I132-K136 PolarHBondContact O-N 2.92Å; Q133-K136 PolarHBondContact O-N 3.12Å; K136-R139 PolarHBondContact O-N 3.44Å; K136-W140 WeakPolarHBondContact O-CB 3.29Å; K136-W140 PolarHBondContact O-N 3.39Å; K136-E164 IonicContact NZ-OE1 3.91Å
137Y93.4Very high93.1Very high27 Ų2755.1 Ų55.111%0.10626%0.258CS..Hα-helixtrans-61.2-47.3-179.9178.7-96.6000112.3F91 D95 F111 Q133 R139 W140 K141 P159F91-Y137 AromaticContact CE2-CD1 3.59Å; F91-Y137 HydrophobicContact CE2-CD1 3.59Å; F91-Y137 HydrophobicContact CE2-CE1 4.3Å; F91-Y137 AromaticContact CZ-CD1 3.42Å; F91-Y137 HydrophobicContact CZ-CD1 3.42Å; F91-Y137 VanDerWaalsContact CZ-CD1 3.42Å; F91-Y137 AromaticContact CZ-CE1 3.86Å; F91-Y137 HydrophobicContact CZ-CE1 3.86Å; F91-Y137 HydrophobicContact CZ-CG 4.37Å; D95-Y137 PolarHBondContact OD1-OH 2.97Å; F111-Y137 HydrophobicContact CE1-CD1 4.31Å; F111-Y137 AromaticContact CE1-CE1 3.97Å; F111-Y137 HydrophobicContact CE1-CE1 3.97Å; F111-Y137 HydrophobicContact CZ-CE1 4.11Å; Q133-Y137 WeakPolarHBondContact O-CB 3.33Å; Q133-Y137 PolarHBondContact O-N 2.9Å; Y137-R139 VanDerWaalsContact C-N 3.34Å; Y137-R139 PolarHBondContact O-N 3.41Å; Y137-W140 HydrophobicContact CD2-CE3 4.14Å; Y137-W140 HydrophobicContact CD2-CZ3 4.23Å; Y137-W140 HydrophobicContact CE2-CE3 4.3Å; Y137-W140 AromaticContact CE2-CZ3 3.98Å; Y137-W140 HydrophobicContact CE2-CZ3 3.98Å; Y137-W140 PolarHBondContact O-N 3.27Å; Y137-K141 HydrophobicContact CD1-CG 4.25Å; Y137-K141 HydrophobicContact CD2-CG 4.3Å; Y137-K141 HydrophobicContact CE1-CG 3.81Å; Y137-K141 HydrophobicContact CE2-CG 3.81Å; Y137-K141 WeakPolarHBondContact O-CB 3.25Å; Y137-K141 PolarHBondContact O-N 3.15Å; Y137-K141 WeakPolarHBondContact OH-CE 3.41Å; Y137-P159 HydrophobicContact CE2-CB 4.22Å
138A95.5Very high93.2Very high0 Ų054 Ų540%025%0.253CS..Hα-helixtrans-62-41.3-179.800000112.1F91 F111 H134 A142F91-A138 HydrophobicContact CD2-CB 3.9Å; F91-A138 HydrophobicContact CE2-CB 3.91Å; F111-A138 HydrophobicContact CB-CB 4.45Å; F111-A138 HydrophobicContact CD1-CB 3.96Å; F111-A138 WeakPolarHBondContact O-CB 3.3Å; H134-A138 WeakPolarHBondContact O-CB 3.44Å; H134-A138 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-CB 3.24Å; A138-A142 WeakPolarHBondContact O-CB 3.44Å; A138-A142 PolarHBondContact O-N 3.38Å
139R94.7Very high93.1Very high76 Ų7655.2 Ų55.229%0.28726%0.255SS..Hα-helixtrans-64.5-47176.5-175.7169.9-68.5169.49.8111.1D119 R135 K136 Y137 T143 E169D119-R139 IonicContact OD2-CZ 2.85Å; D119-R139 IonicContact OD2-NH2 3.71Å; D119-R139 PolarHBondContact OD2-NH2 3.08Å; R135-R139 WeakPolarHBondContact O-CB 3.33Å; R135-R139 PolarHBondContact O-N 3.28Å; K136-R139 PolarHBondContact O-N 3.44Å; Y137-R139 VanDerWaalsContact C-N 3.34Å; Y137-R139 PolarHBondContact O-N 3.41Å; R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 PolarHBondContact O-OG1 3.29Å; R139-E169 IonicContact CZ-OE1 3.37Å; R139-E169 IonicContact NH1-OE1 3.79Å; R139-E169 PolarHBondContact NH1-OE1 2.91Å
140W94.2Very high93.2Very high67 Ų6753.4 Ų53.425%0.25425%0.245SC..Hα-helixtrans-62-53.3177.8169.976.4000112K136 Y137 A142 T143 Y144 Y167K136-W140 WeakPolarHBondContact O-CB 3.29Å; K136-W140 PolarHBondContact O-N 3.39Å; Y137-W140 HydrophobicContact CD2-CE3 4.14Å; Y137-W140 HydrophobicContact CD2-CZ3 4.23Å; Y137-W140 HydrophobicContact CE2-CE3 4.3Å; Y137-W140 AromaticContact CE2-CZ3 3.98Å; Y137-W140 HydrophobicContact CE2-CZ3 3.98Å; Y137-W140 PolarHBondContact O-N 3.27Å; W140-A142 VanDerWaalsContact C-N 3.34Å; W140-A142 PolarHBondContact O-N 3.09Å; W140-T143 PolarHBondContact O-N 3.25Å; W140-T143 VanDerWaalsContact O-N 3.16Å; W140-Y144 HydrophobicContact CZ2-CG 4.39Å; W140-Y144 WeakPolarHBondContact O-CB 3.28Å; W140-Y144 PolarHBondContact O-N 3.43Å; W140-Y167 AromaticContact CD1-CD2 3.73Å; W140-Y167 AromaticContact CD1-CE2 3.56Å; W140-Y167 AromaticContact NE1-CE2 3.71Å
141K92.6Very high93.2Very high0 Ų051 Ų510%024%0.241CC..Hα-helixtrans-59.6-41.6179.9-87.1-64.2-170.2155.10112.4D98 F111 Y137 T143 Y144 I145 Q156 G158D98-K141 IonicContact OD1-NZ 3.57Å; D98-K141 PolarHBondContact OD1-NZ 3.05Å; D98-K141 IonicContact OD2-NZ 2.72Å; D98-K141 PolarHBondContact OD2-NZ 3.3Å; D98-K141 VanDerWaalsContact OD2-NZ 3.08Å; F111-K141 HydrophobicContact CD2-CB 4.12Å; F111-K141 HydrophobicContact CE2-CB 4.04Å; F111-K141 HydrophobicContact CG-CB 4.46Å; F111-K141 HydrophobicContact CZ-CB 4.31Å; Y137-K141 HydrophobicContact CD1-CG 4.25Å; Y137-K141 HydrophobicContact CD2-CG 4.3Å; Y137-K141 HydrophobicContact CE1-CG 3.81Å; Y137-K141 HydrophobicContact CE2-CG 3.81Å; Y137-K141 WeakPolarHBondContact O-CB 3.25Å; Y137-K141 PolarHBondContact O-N 3.15Å; Y137-K141 WeakPolarHBondContact OH-CE 3.41Å; K141-T143 VanDerWaalsContact C-N 3.32Å; K141-T143 PolarHBondContact O-N 3.08Å; K141-Y144 HydrophobicContact CD-CD1 4.33Å; K141-Y144 PolarHBondContact O-N 3.05Å; K141-I145 HydrophobicContact CB-CD1 4.45Å; K141-I145 HydrophobicContact CD-CD1 4.29Å; K141-I145 WeakPolarHBondContact O-CB 3.39Å; K141-I145 WeakPolarHBondContact O-CG1 3.48Å; K141-I145 PolarHBondContact O-N 2.97Å; K141-Q156 PolarHBondContact NZ-O 3.38Å; K141-G158 WeakPolarHBondContact CE-O 3.47Å; K141-G158 PolarHBondContact NZ-O 2.93Å
142A94.5Very high93Very high4 Ų453.8 Ų53.83%0.03327%0.272CS..Hα-helixtrans-57.7-46.2176.900000111.7I108 F111 A138 W140 H146I108-A142 HydrophobicContact CG2-CB 4.35Å; F111-A142 HydrophobicContact CB-CB 3.9Å; A138-A142 VanDerWaalsContact O-CB 3.24Å; A138-A142 WeakPolarHBondContact O-CB 3.44Å; A138-A142 PolarHBondContact O-N 3.38Å; W140-A142 VanDerWaalsContact C-N 3.34Å; W140-A142 PolarHBondContact O-N 3.09Å; A142-H146 WeakPolarHBondContact O-CB 3.39Å; A142-H146 PolarHBondContact O-N 2.95Å; A142-H146 VanDerWaalsContact O-N 3.13Å
143T93.6Very high92.8Very high52 Ų5257.2 Ų57.232%0.31929%0.287SS..Hα-helixtrans-68.2-47.4178.8-58.70000111.7R139 W140 K141 H146 N147R139-T143 PolarHBondContact O-N 3.08Å; R139-T143 PolarHBondContact O-OG1 3.29Å; W140-T143 PolarHBondContact O-N 3.25Å; W140-T143 VanDerWaalsContact O-N 3.16Å; K141-T143 VanDerWaalsContact C-N 3.32Å; K141-T143 PolarHBondContact O-N 3.08Å; T143-H146 PolarHBondContact O-N 2.98Å; T143-N147 WeakPolarHBondContact O-CB 3.47Å; T143-N147 PolarHBondContact O-N 3.41Å; T143-N147 PolarHBondContact O-ND2 3.4Å
144Y92.8Very high92.3Very high65 Ų6559.7 Ų59.726%0.25531%0.307SS..Hα-helixtrans-57-55179.9170.5-109.4000111.6W140 K141 H146 N147 C148 P155 Q156W140-Y144 HydrophobicContact CZ2-CG 4.39Å; W140-Y144 WeakPolarHBondContact O-CB 3.28Å; W140-Y144 PolarHBondContact O-N 3.43Å; K141-Y144 HydrophobicContact CD-CD1 4.33Å; K141-Y144 PolarHBondContact O-N 3.05Å; Y144-H146 VanDerWaalsContact C-N 3.31Å; Y144-H146 PolarHBondContact O-N 3.09Å; Y144-N147 PolarHBondContact O-N 3.05Å; Y144-N147 VanDerWaalsContact O-N 3.15Å; Y144-C148 VanDerWaalsContact CE2-SG 3.56Å; Y144-C148 PolarHBondContact O-N 3.33Å; Y144-C148 PolarHBondContact O-SG 3.47Å; Y144-C148 VanDerWaalsContact O-SG 3.39Å; Y144-P155 HydrophobicContact CD1-CB 4.4Å; Y144-P155 HydrophobicContact CE1-CB 3.71Å; Y144-Q156 PolarHBondContact OH-N 3.02Å; Y144-Q156 VanDerWaalsContact OH-N 3.1Å
145I92.9Very high92Very high0 Ų058.3 Ų58.30%030%0.301CS..Hα-helixtrans-63.7-40.3-178.5-61.2170.7000110.4D98 F103 M107 I108 F111 K141 N147 C148 L149 P155D98-I145 WeakPolarHBondContact OD1-CD1 3.48Å; F103-I145 HydrophobicContact CB-CG2 4.13Å; F103-I145 HydrophobicContact CD1-CD1 4.05Å; F103-I145 HydrophobicContact CD1-CG1 4.23Å; F103-I145 HydrophobicContact CD1-CG2 3.76Å; F103-I145 HydrophobicContact CE1-CD1 4.14Å; F103-I145 HydrophobicContact CE1-CG1 4.34Å; F103-I145 HydrophobicContact CG-CG2 4.28Å; M107-I145 HydrophobicContact CE-CD1 3.52Å; M107-I145 HydrophobicContact SD-CD1 3.71Å; M107-I145 HydrophobicContact SD-CG2 4.01Å; I108-I145 HydrophobicContact CD1-CG2 3.91Å; I108-I145 HydrophobicContact CG1-CB 4.17Å; I108-I145 HydrophobicContact CG1-CG2 3.76Å; F111-I145 HydrophobicContact CD2-CD1 4.43Å; F111-I145 HydrophobicContact CE2-CD1 4.21Å; K141-I145 HydrophobicContact CB-CD1 4.45Å; K141-I145 HydrophobicContact CD-CD1 4.29Å; K141-I145 WeakPolarHBondContact O-CB 3.39Å; K141-I145 WeakPolarHBondContact O-CG1 3.48Å; K141-I145 PolarHBondContact O-N 2.97Å; I145-N147 VanDerWaalsContact C-N 3.33Å; I145-N147 PolarHBondContact O-N 2.82Å; I145-C148 PolarHBondContact O-N 3.25Å; I145-L149 HydrophobicContact CG2-CD1 4.27Å; I145-L149 HydrophobicContact CG2-CG 4.34Å; I145-L149 WeakPolarHBondContact O-CB 3.48Å; I145-L149 VanDerWaalsContact O-CG 3.3Å; I145-L149 WeakPolarHBondContact O-CG 3.47Å; I145-L149 PolarHBondContact O-N 3Å; I145-P155 HydrophobicContact CB-CG 4.41Å; I145-P155 HydrophobicContact CG1-CB 4.21Å; I145-P155 HydrophobicContact CG1-CG 4.43Å; I145-P155 HydrophobicContact CG2-CG 3.98Å
146H93.9Very high91.5Very high72 Ų7260.5 Ų60.533%0.33331%0.314SS..Hα-helixtrans-60.2-43.5176.2-179.8-92.3000112.3I108 A142 T143 Y144 L149 K150 Y171I108-H146 HydrophobicContact CD1-CB 4.17Å; I108-H146 HydrophobicContact CG2-CB 4.21Å; A142-H146 WeakPolarHBondContact O-CB 3.39Å; A142-H146 PolarHBondContact O-N 2.95Å; A142-H146 VanDerWaalsContact O-N 3.13Å; T143-H146 PolarHBondContact O-N 2.98Å; Y144-H146 VanDerWaalsContact C-N 3.31Å; Y144-H146 PolarHBondContact O-N 3.09Å; H146-L149 PolarHBondContact O-N 3.28Å; H146-K150 WeakPolarHBondContact O-CB 3.14Å; H146-K150 PolarHBondContact O-N 3.27Å; H146-Y171 AromaticContact CE1-CZ 3.91Å; H146-Y171 PolarHBondContact CE1-OH 3.09Å; H146-Y171 VanDerWaalsContact CE1-OH 3.29Å
147N93.1Very high90.9Very high72 Ų7258 Ų5839%0.38531%0.312SS..Hα-helixtrans-67.6-44.5-180-70.9-12.4000111.7T143 Y144 I145 L149 K150 S151T143-N147 WeakPolarHBondContact O-CB 3.47Å; T143-N147 PolarHBondContact O-N 3.41Å; T143-N147 PolarHBondContact O-ND2 3.4Å; Y144-N147 PolarHBondContact O-N 3.05Å; Y144-N147 VanDerWaalsContact O-N 3.15Å; I145-N147 VanDerWaalsContact C-N 3.33Å; I145-N147 PolarHBondContact O-N 2.82Å; N147-L149 PolarHBondContact O-N 3.06Å; N147-K150 WeakPolarHBondContact O-CB 3.25Å; N147-K150 PolarHBondContact O-N 3.35Å; N147-K150 VanDerWaalsContact O-N 3.1Å; N147-S151 PolarHBondContact O-N 2.89Å; N147-S151 PolarHBondContact O-OG 3.33Å
148C91.6Very high89.7Confident9 Ų957.2 Ų57.26%0.06131%0.313CS..Hα-helixtrans-58.3-46.6174-68.90000111.9Y144 I145 K150 S151 G152 E153 P155Y144-C148 VanDerWaalsContact CE2-SG 3.56Å; Y144-C148 PolarHBondContact O-N 3.33Å; Y144-C148 PolarHBondContact O-SG 3.47Å; Y144-C148 VanDerWaalsContact O-SG 3.39Å; I145-C148 PolarHBondContact O-N 3.25Å; C148-K150 PolarHBondContact O-N 2.92Å; C148-S151 WeakPolarHBondContact CA-OG 3.42Å; C148-S151 PolarHBondContact O-N 3.5Å; C148-S151 PolarHBondContact O-OG 3.34Å; C148-S151 VanDerWaalsContact O-OG 3.05Å; C148-G152 PolarHBondContact O-N 3.27Å; C148-E153 CarbonylContact C-O 3.54Å; C148-E153 HydrophobicContact CB-CB 4.4Å; C148-E153 WeakPolarHBondContact CB-O 3.27Å; C148-E153 PolarHBondContact O-N 2.97Å; C148-E153 VanDerWaalsContact O-O 3.07Å; C148-P155 HydrophobicContact CB-CB 4.14Å; C148-P155 HydrophobicContact CB-CG 3.68Å
149L91Very high88.2Confident77 Ų7760.6 Ų60.640%0.40334%0.335SS..Hα-helixtrans-66.1-26.7177-66.6-172.3000113F103 I108 I145 H146 N147F103-L149 HydrophobicContact CB-CD1 4.32Å; F103-L149 HydrophobicContact CB-CD2 4.07Å; I108-L149 HydrophobicContact CD1-CD1 3.83Å; I145-L149 HydrophobicContact CG2-CD1 4.27Å; I145-L149 HydrophobicContact CG2-CG 4.34Å; I145-L149 WeakPolarHBondContact O-CB 3.48Å; I145-L149 VanDerWaalsContact O-CG 3.3Å; I145-L149 WeakPolarHBondContact O-CG 3.47Å; I145-L149 PolarHBondContact O-N 3Å; H146-L149 PolarHBondContact O-N 3.28Å; N147-L149 PolarHBondContact O-N 3.06Å
150K92.4Very high86.3Confident136 Ų13659.2 Ų59.259%0.59133%0.333SS*.Hα-helixtrans-77.7-37.2175.2-170.9179.1-178.3-179.20111.9H146 N147 C148 E174H146-K150 WeakPolarHBondContact O-CB 3.14Å; H146-K150 PolarHBondContact O-N 3.27Å; N147-K150 WeakPolarHBondContact O-CB 3.25Å; N147-K150 PolarHBondContact O-N 3.35Å; N147-K150 VanDerWaalsContact O-N 3.1Å; C148-K150 PolarHBondContact O-N 2.92Å; K150-E174 IonicContact NZ-OE2 2.72Å
151S91.5Very high84.3Confident72 Ų7259.4 Ų59.450%0.50336%0.356SS..Hα-helixtrans-80.3-16.2176.960.90000113.4N147 C148 E153N147-S151 PolarHBondContact O-N 2.89Å; N147-S151 PolarHBondContact O-OG 3.33Å; C148-S151 WeakPolarHBondContact CA-OG 3.42Å; C148-S151 PolarHBondContact O-N 3.5Å; C148-S151 PolarHBondContact O-OG 3.34Å; C148-S151 VanDerWaalsContact O-OG 3.05Å; S151-E153 PolarHBondContact OG-OE2 3.29Å
152G87.6Confident82.2Confident67 Ų6767.3 Ų67.369%0.69139%0.387SS*.THydrogen-bonded Turntrans85.410-175.700000113.6C148C148-G152 PolarHBondContact O-N 3.27Å
153E88.4Confident79.9Confident129 Ų12975.3 Ų75.360%0.60342%0.423SS*.PPolyproline II helixtrans-83.5147.2174-66.5174.6163.700110.6C148 S151 P155C148-E153 CarbonylContact C-O 3.54Å; C148-E153 HydrophobicContact CB-CB 4.4Å; C148-E153 WeakPolarHBondContact CB-O 3.27Å; C148-E153 PolarHBondContact O-N 2.97Å; C148-E153 VanDerWaalsContact O-O 3.07Å; S151-E153 PolarHBondContact OG-OE2 3.29Å; E153-P155 WeakPolarHBondContact O-CD 3.49Å
154T84.2Confident77.6Confident125 Ų12580.3 Ų80.377%0.76744%0.443SS*.PPolyproline II helixtrans-85.8119.4175.5-56.10000108.9F103F103-T154 HydrophobicContact CE2-CG2 4.44Å
155P86.1Confident75.1Confident7 Ų783.2 Ų83.25%0.04546%0.459CS..PPolyproline II helixtrans-62.4150.8177.7-8.317.2000111.7F103 Y144 I145 C148 E153F103-P155 HydrophobicContact CB-CG 4.21Å; F103-P155 HydrophobicContact CD1-CB 4.09Å; F103-P155 HydrophobicContact CD1-CG 3.81Å; F103-P155 HydrophobicContact CD2-CB 4.28Å; F103-P155 HydrophobicContact CD2-CG 3.76Å; F103-P155 HydrophobicContact CE1-CB 3.82Å; F103-P155 HydrophobicContact CE1-CG 4.05Å; F103-P155 HydrophobicContact CE2-CB 4.01Å; F103-P155 HydrophobicContact CE2-CG 4.01Å; F103-P155 WeakPolarHBondContact CE2-O 3.39Å; F103-P155 HydrophobicContact CG-CB 4.3Å; F103-P155 HydrophobicContact CG-CG 3.64Å; F103-P155 HydrophobicContact CZ-CB 3.77Å; F103-P155 HydrophobicContact CZ-CG 4.14Å; F103-P155 VanDerWaalsContact CZ-O 3.32Å; F103-P155 WeakPolarHBondContact CZ-O 3.24Å; Y144-P155 HydrophobicContact CD1-CB 4.4Å; Y144-P155 HydrophobicContact CE1-CB 3.71Å; I145-P155 HydrophobicContact CB-CG 4.41Å; I145-P155 HydrophobicContact CG1-CB 4.21Å; I145-P155 HydrophobicContact CG1-CG 4.43Å; I145-P155 HydrophobicContact CG2-CG 3.98Å; C148-P155 HydrophobicContact CB-CB 4.14Å; C148-P155 HydrophobicContact CB-CG 3.68Å; E153-P155 WeakPolarHBondContact O-CD 3.49Å
156Q83.3Confident72.5Confident111 Ų11189.6 Ų89.652%0.51950%0.498SS..PPolyproline II helixtrans-78.2132.6173.4-172164.4-29.400111K141 Y144 D160K141-Q156 PolarHBondContact NZ-O 3.38Å; Y144-Q156 PolarHBondContact OH-N 3.02Å; Y144-Q156 VanDerWaalsContact OH-N 3.1Å; Q156-D160 VanDerWaalsContact CB-OD2 3.31Å; Q156-D160 WeakPolarHBondContact CB-OD2 2.94Å; Q156-D160 WeakPolarHBondContact CG-OD2 3.35Å; Q156-D160 VanDerWaalsContact NE2-CG 3.34Å; Q156-D160 PolarHBondContact NE2-OD1 3.18Å; Q156-D160 PolarHBondContact NE2-OD2 2.82Å
157A81.8Confident70.1Confident49 Ų4992.9 Ų92.941%0.40551%0.509SS..PPolyproline II helixtrans-84.7138.2-176.300000111.7D98 F103D98-A157 VanDerWaalsContact O-CB 3.25Å; D98-A157 WeakPolarHBondContact O-CB 3.45Å; F103-A157 HydrophobicContact CZ-CB 4.26Å
158G67.6Low67.5Low11 Ų1197 Ų9711%0.11353%0.53CS..SBendtrans95.1173.6176.800000113.6D98 K141 D160D98-G158 WeakPolarHBondContact OD2-CA 3.45Å; D98-G158 PolarHBondContact OD2-N 3.2Å; K141-G158 WeakPolarHBondContact CE-O 3.47Å; K141-G158 PolarHBondContact NZ-O 2.93Å; G158-D160 VanDerWaalsContact C-N 3.31Å; G158-D160 PolarHBondContact O-N 3.27Å
159P64.8Low65.1Low71 Ų71104.1 Ų104.146%0.46156%0.563SS.*  trans-7588.617630.2-31000108.4Y137Y137-P159 HydrophobicContact CE2-CB 4.22Å
160D55.3Low62.8Low48 Ų48108.8 Ų108.826%0.25758%0.583SS.*  trans-59.2141.8160.9-72.3-44.2000108.4Q156 G158 Y162Q156-D160 VanDerWaalsContact CB-OD2 3.31Å; Q156-D160 WeakPolarHBondContact CB-OD2 2.94Å; Q156-D160 WeakPolarHBondContact CG-OD2 3.35Å; Q156-D160 VanDerWaalsContact NE2-CG 3.34Å; Q156-D160 PolarHBondContact NE2-OD1 3.18Å; Q156-D160 PolarHBondContact NE2-OD2 2.82Å; G158-D160 VanDerWaalsContact C-N 3.31Å; G158-D160 PolarHBondContact O-N 3.27Å; D160-Y162 PolarHBondContact O-N 3.28Å
161G51.8Low60.2Low70 Ų70107.8 Ų107.872%0.72258%0.576SS**  trans-44.6114.3179.800000109.2E163G161-E163 PolarHBondContact O-N 2.87Å
162Y48.7Very low58Low167 Ų167106.3 Ų106.366%0.65557%0.572SS**  trans-65.692176.671.4-78.7000106.2D160D160-Y162 PolarHBondContact O-N 3.28Å
163E45.7Very low56Low171 Ų171106.8 Ų106.880%0.79957%0.569SS**  trans-79.4127.9159.6-69.4-164.3163.500105.8G161 E165G161-E163 PolarHBondContact O-N 2.87Å; E163-E165 PolarHBondContact O-N 3.27Å
164E44.6Very low53.5Low157 Ų157108.5 Ų108.573%0.73458%0.577SS**  trans-66.272.6-175.5-171.3169.1-148.400109.9K136 T166K136-E164 IonicContact NZ-OE1 3.91Å; E164-T166 PolarHBondContact O-N 3.17Å
165E41.4Very low51.2Low127 Ų127106.8 Ų106.859%0.59358%0.584SS**  trans-81.8110.9166.4-75.3-165.3156.900107.6E163 Y167E163-E165 PolarHBondContact O-N 3.27Å; E165-Y167 VanDerWaalsContact C-N 3.31Å; E165-Y167 HydrophobicContact CB-CD2 4.02Å; E165-Y167 HydrophobicContact CB-CE2 3.46Å; E165-Y167 VanDerWaalsContact CB-CE2 3.46Å; E165-Y167 WeakPolarHBondContact O-CD2 3.41Å; E165-Y167 PolarHBondContact O-N 3.49Å; E165-Y167 VanDerWaalsContact OE2-CZ 3.29Å; E165-Y167 PolarHBondContact OE2-OH 2.9Å
166T38.5Very low48.7Very low134 Ų134110.1 Ų110.182%0.82262%0.62SS**  trans-63.889.8173-25.50000108.5E164 D168E164-T166 PolarHBondContact O-N 3.17Å; T166-D168 PolarHBondContact O-N 3.05Å
167Y42.6Very low46.3Very low141 Ų141108.5 Ų108.555%0.55363%0.633SS**  trans-78.3105.2172.2-75.8-84.9000108.9W140 E165W140-Y167 AromaticContact CD1-CD2 3.73Å; W140-Y167 AromaticContact CD1-CE2 3.56Å; W140-Y167 AromaticContact NE1-CE2 3.71Å; E165-Y167 VanDerWaalsContact C-N 3.31Å; E165-Y167 HydrophobicContact CB-CD2 4.02Å; E165-Y167 HydrophobicContact CB-CE2 3.46Å; E165-Y167 VanDerWaalsContact CB-CE2 3.46Å; E165-Y167 WeakPolarHBondContact O-CD2 3.41Å; E165-Y167 PolarHBondContact O-N 3.49Å; E165-Y167 VanDerWaalsContact OE2-CZ 3.29Å; E165-Y167 PolarHBondContact OE2-OH 2.9Å
168D38.3Very low44.1Very low157 Ų157110 Ų11084%0.8465%0.653SS**  trans-56.8142.9169.6-99.2-41.4000110.8T166 E170T166-D168 PolarHBondContact O-N 3.05Å; D168-E170 VanDerWaalsContact C-N 3.29Å; D168-E170 PolarHBondContact O-N 3.41Å
169E42.4Very low42.6Very low159 Ų159113.3 Ų113.374%0.74367%0.673SS**  trans-76.672.7-166.3-147.6140.6-147.300110.9R139R139-E169 IonicContact CZ-OE1 3.37Å; R139-E169 IonicContact NH1-OE1 3.79Å; R139-E169 PolarHBondContact NH1-OE1 2.91Å
170E41.8Very low41.4Very low175 Ų175115.7 Ų115.782%0.81869%0.691SS**  trans-116.566.4175.2-161.4167.5-165.500111.9D168D168-E170 VanDerWaalsContact C-N 3.29Å; D168-E170 PolarHBondContact O-N 3.41Å
171Y37.1Very low40.2Very low116 Ų116122.4 Ų122.446%0.45571%0.714SS.*  trans-125.765.4146-116.4-89000109H146H146-Y171 AromaticContact CE1-CZ 3.91Å; H146-Y171 PolarHBondContact CE1-OH 3.09Å; H146-Y171 VanDerWaalsContact CE1-OH 3.29Å
172G45.8Very low39.2Very low40 Ų40127.9 Ų127.941%0.41272%0.721SS.*  trans-109.717178.500000114.3K8K8-G172 WeakPolarHBondContact CE-O 3.32Å; K8-G172 PolarHBondContact NZ-O 2.56Å
173A46.1Very low38.3Very low77 Ų77125.5 Ų125.564%0.63673%0.728SS**  trans-177.3120.2167.600000109.9
174E35.8Very low37.6Very low166 Ų166123 Ų12378%0.77673%0.73SS**  trans-174.498.2135-103-179.3167.300109K150K150-E174 IonicContact NZ-OE2 2.72Å
175G37.2Very low37.2Very low88 Ų88124.3 Ų124.391%0.90774%0.736SS**SBendtrans-169.757.3178.200000108.8
176G32.9Very low36.9Very low77 Ų77124.4 Ų124.479%0.79475%0.748SS**SBendtrans150.7107.3172.500000114.3
177G31.5Very low36.6Very low77 Ų77123 Ų12379%0.79475%0.749SS**  trans78.5102.5157.900000115.9
178G37Very low36.1Very low80 Ų80125 Ų12583%0.82576%0.764SS**  trans-66161.5170.800000112.8
179P36.6Very low36.1Very low82 Ų82123.6 Ų123.653%0.53276%0.763SS.*  trans-122.6141.8137.39.411.6000110.9Y181P179-Y181 HydrophobicContact CB-CE1 4.13Å; P179-Y181 HydrophobicContact CG-CE1 4.02Å; P179-Y181 WeakPolarHBondContact O-CE1 3.47Å
180S38.1Very low35.6Very low120 Ų120125.2 Ų125.284%0.83977%0.77SS**  trans-53.5130.5164.745.10000112.2
181Y31.2Very low35.2Very low190 Ų190122.3 Ų122.375%0.74577%0.77SS**  trans-129.3105.5160.1-8.2-82.5000110.1P179P179-Y181 HydrophobicContact CB-CE1 4.13Å; P179-Y181 HydrophobicContact CG-CE1 4.02Å; P179-Y181 WeakPolarHBondContact O-CE1 3.47Å
182Q30Very low35.6Very low184 Ų184122.7 Ų122.786%0.8679%0.786SS**  trans-6.1121.6145.1-149114.2-12.900116.6
183S30.1Very low35.6Very low117 Ų117126.7 Ų126.782%0.81881%0.805SS**  trans-61.3127.7170.9-38.40000111.9
184S31Very low35.2Very low118 Ų118132.1 Ų132.183%0.82582%0.817SS**  trans-124.7109.3164-57.60000108.7
185Q35.1Very low35.3Very low186 Ų186128.9 Ų128.987%0.86981%0.813SS**PPolyproline II helixtrans-74.4152172.9-80.5175.6-14.100111.2
186P35.4Very low35.4Very low129 Ų129133.4 Ų133.484%0.83881%0.81SS**PPolyproline II helixtrans-78.5143173.7-5.923.4000112.6
187A31.8Very low35.9Very low103 Ų103135.2 Ų135.285%0.85181%0.808SS**PPolyproline II helixtrans-73141.5179.400000113.4
188Q33.3Very low35.8Very low185 Ų185134.4 Ų134.486%0.86480%0.8SS**  trans-107.8156.1164.9-77.2-155.3-57.700111.8
189P38.6Very low35.7Very low126 Ų126141.2 Ų141.282%0.81881%0.807SS**  trans-82.4152.8-166.7-7.126.1000114.5
190Q31.6Very low35.5Very low193 Ų193141.1 Ų141.190%0.90282%0.821SS**  trans-71.6153.8-172.6-65.8172.5-21.300115.1
191S33.8Very low35.3Very low115 Ų115143 Ų14380%0.80482%0.821SS**  trans-138.6146.9158.8-60.80000109.5
192P45.9Very low36.4Very low123 Ų123139 Ų13980%0.79982%0.819SS**  trans-84.4161.9-160.932.7-34.8000114.6
193P44.7Very low36.6Very low125 Ų125136.2 Ų136.281%0.81281%0.81SS**  trans-91.4145.8-175.735.4-31.1000113
194H37.5Very low36.9Very low191 Ų191138.7 Ų138.788%0.88481%0.809SS**  trans-114.7150.5166.9-145.369.7000109.9
195S37.9Very low36.9Very low98 Ų98136.6 Ų136.669%0.68581%0.806SS**  trans-92.5155.9-154.2-41.90000115.4
196Q38.6Very low37.6Very low183 Ų183134.3 Ų134.386%0.85581%0.807SS**  trans89.7162138.4-114.1-161.2-3500119.7
197P43.8Very low37.6Very low114 Ų114132 Ų13274%0.7481%0.807SS**  -132.4174.2-86.241.7-26000114.7
198G30.6Very low37.9Very low61 Ų61133 Ų13363%0.62981%0.807SS**  trans147116.714600000119.7
199F34.6Very low38.1Very low222 Ų222133.6 Ų133.697%0.97481%0.813SS**  trans69.1117.2138.8-70.5-88.5000122.9
200G31.3Very low37.8Very low80 Ų80131.7 Ų131.783%0.82582%0.816SS**  107.5102.1123.400000119.2
201D34.2Very low37.9Very low159 Ų159126 Ų12685%0.8581%0.809SS**  trans-79.8-179.4152.5-125.2-46.5000109.8
202P53.7Low38.7Very low107 Ų107126.7 Ų126.770%0.69581%0.811SS**  cis-127.7179.2-24.520.73.2000111.8
203D35.3Very low39Very low126 Ų126125.4 Ų125.467%0.67480%0.802SS**  160.4126.3120.6-15651.8000115
204Q36.3Very low38.8Very low168 Ų168129.1 Ų129.179%0.78580%0.802SS**  trans25.1135.1146.5-62.6172.760.100123.1
205G31.2Very low39.6Very low75 Ų75126 Ų12677%0.77380%0.798SS**  trans-76.5-143.5171.600000114.1
206P49.5Very low39.5Very low138 Ų138130.5 Ų130.590%0.89681%0.808SS**  cis-124.8172.6-15.238.5-22.2000112.7
207G34.6Very low39.2Very low80 Ų80125.2 Ų125.283%0.82580%0.803SS**  trans-163.5103.5174.200000115.2
208S39.5Very low39.4Very low123 Ų123126.4 Ų126.486%0.8681%0.811SS**  trans-80.8136.5166.1-82.70000111.9
209M36.2Very low39.5Very low199 Ų199126.9 Ų126.998%0.9882%0.816SS**  trans-169.3130.1140.9-75.4-146.8-174.300105.2
210G32.3Very low39.6Very low86 Ų86121.6 Ų121.689%0.88781%0.807SS**  cis118.3109.840.100000107.5
211G33.9Very low39.7Very low73 Ų73126.8 Ų126.875%0.75381%0.812SS**  trans-176.1146.117500000113.3
212P51.6Low39.6Very low130 Ų130123 Ų12384%0.84481%0.811SS**  trans-105174.2-136.439.1-34.1000116.5
213P52.1Low38.6Very low96 Ų96122 Ų12262%0.62382%0.82SS**  trans-114.9164.9-169.137.3-22.7000117.1
214Y40.4Very low38.6Very low203 Ų203121.5 Ų121.580%0.79683%0.826SS**  trans84.4158.4160.3-58.1-64.7000119.3
215P53.6Low38.8Very low125 Ų125118.7 Ų118.781%0.81282%0.823SS**  cis-137.3176.116.837.6-15.8000118.8
216Q35.9Very low38.9Very low192 Ų192126.2 Ų126.290%0.89783%0.829SS**  trans-72.2155.7179.4-67.8171.7-24.800114.8
217G33.6Very low38.2Very low73 Ų73124.2 Ų124.275%0.75382%0.816SS**  trans-139.2154154.800000110.8
218P46.4Very low38.2Very low138 Ų138126.7 Ų126.790%0.89682%0.817SS**  trans-108.5153.3-151.637.7-28.2000115.2
219G34.1Very low37.8Very low72 Ų72126.8 Ų126.874%0.74281%0.813SS**  trans178.986.7167.500000109.6
220S36.2Very low37.7Very low111 Ų111123.4 Ų123.478%0.77680%0.799SS**  74.6111.990.9-149.50000114.7
221M33.7Very low37.9Very low188 Ų188127 Ų12793%0.92679%0.787SS**  trans73.7117147-72.4-169.5147.900121.4
222G31.1Very low38.2Very low81 Ų81129 Ų12984%0.83578%0.781SS**  108.766.1118.500000116.8
223G33.1Very low37.6Very low86 Ų86129.7 Ų129.789%0.88778%0.777SS**  trans-91.8115162.200000111.1
224S34.5Very low37.5Very low114 Ų114127.2 Ų127.280%0.79776%0.758SS**  trans166.4168.5134.6-147.70000109.7
225P41.5Very low37.6Very low110 Ų110124.3 Ų124.371%0.71475%0.751SS**  -113.8147.6-8234.7-19.9000111.7
226Y33.7Very low37.4Very low233 Ų233120.7 Ų120.791%0.91473%0.725SS**PPolyproline II helixtrans-72.6139.3172.6-68.8-82.3000111.2
227P34.8Very low37.4Very low96 Ų96115.3 Ų115.362%0.62371%0.707SS**PPolyproline II helixtrans-79.3163.1179.733.4-34.1000112T229P227-T229 PolarHBondContact O-N 3.43Å
228P33.3Very low37.3Very low131 Ų131117.8 Ų117.885%0.85171%0.709SS**PPolyproline II helixtrans-72117.6176.229.4-31.8000110.3N230P228-N230 PolarHBondContact O-N 3.4Å
229T32.2Very low37.1Very low125 Ų125113.9 Ų113.977%0.76769%0.694SS**PPolyproline II helixtrans-78.7117.6-179.7-31.80000110.9P227P227-T229 PolarHBondContact O-N 3.43Å
230N33.2Very low37.5Very low128 Ų128114 Ų11468%0.68469%0.688SS**PPolyproline II helixtrans-68127-179.4-167.2-2.7000111.6P228 N232P228-N230 PolarHBondContact O-N 3.4Å; N230-N232 VanDerWaalsContact C-N 3.34Å; N230-N232 PolarHBondContact O-N 3.14Å; N230-N232 PolarHBondContact OD1-ND2 2.72Å; N230-N232 VanDerWaalsContact OD1-ND2 3.08Å
231Y37.8Very low38Very low163 Ų163116 Ų11664%0.63969%0.685SS**  trans-86.113.7-171.2-87-87.9000115.4
232N39.2Very low38.1Very low115 Ų115112.9 Ų112.962%0.61568%0.68SS**  trans-95.21.7-155.8-99.6-47.4000118.1R23 N230R23-N232 PolarHBondContact NH2-O 3.31Å; N230-N232 VanDerWaalsContact C-N 3.34Å; N230-N232 PolarHBondContact O-N 3.14Å; N230-N232 PolarHBondContact OD1-ND2 2.72Å; N230-N232 VanDerWaalsContact OD1-ND2 3.08Å
233N39Very low38.6Very low144 Ų144114.8 Ų114.877%0.7768%0.678SS**  trans-131.877.3-166.9-135.535.8000114.3H235N233-H235 PolarHBondContact O-N 2.93Å
234I50.5Low38.7Very low44 Ų44115.5 Ų115.523%0.22668%0.675CS.*  trans-88.6100.4167-56.8170.8000106.7R23 K109R23-I234 PolarHBondContact NH1-O 3.22Å; K109-I234 HydrophobicContact CD-CD1 3.96Å
235H43.3Very low39Very low141 Ų141117.7 Ų117.765%0.65368%0.678SS**  trans-95110.5173.5-175.2-69.5000108.1N233 P237N233-H235 PolarHBondContact O-N 2.93Å; H235-P237 VanDerWaalsContact O-CD 3.26Å; H235-P237 WeakPolarHBondContact O-CD 3.42Å
236I48.7Very low38.9Very low49 Ų49118.8 Ų118.825%0.25168%0.683SS.*  trans-77.2111.8172.5-57.1165000106.3
237P35.6Very low39.1Very low80 Ų80113.8 Ų113.852%0.51968%0.679SS.*  trans-63.9138.9-179.525.1-31.8000110.9H235 G239H235-P237 VanDerWaalsContact O-CD 3.26Å; H235-P237 WeakPolarHBondContact O-CD 3.42Å; P237-G239 PolarHBondContact O-N 3.25Å
238P31.5Very low39.4Very low124 Ų124114.5 Ų114.581%0.80569%0.693SS**THydrogen-bonded Turntrans-65.8117.7168.6-10.825.3000108.3
239G43.2Very low39.5Very low57 Ų57112 Ų11259%0.58869%0.69SS**THydrogen-bonded Turntrans143.2-6.8-17800000115.8P237 H241P237-G239 PolarHBondContact O-N 3.25Å; G239-H241 PolarHBondContact O-N 3.21Å
240A42.4Very low39.7Very low73 Ų73114.6 Ų114.660%0.60369%0.694SS**  trans-75.475.2171.300000110.5
241H46.6Very low40.1Very low155 Ų155114.8 Ų114.872%0.71870%0.702SS**  trans-117.5124.6171-64.8-81.8000109.2G239G239-H241 PolarHBondContact O-N 3.21Å
242C35Very low40.2Very low122 Ų122114.7 Ų114.782%0.82471%0.711SS**SBendtrans59.2155.1154.1530000120.3
243P42.5Very low40.4Very low120 Ų120118.3 Ų118.378%0.77972%0.721SS**  trans-77.7152.1-157.431-33000113.9N245P243-N245 PolarHBondContact O-N 2.9Å
244A34.7Very low40.3Very low101 Ų101117.7 Ų117.784%0.83573%0.725SS**  trans-69.2110177.700000111.7
245N40.3Very low39.9Very low161 Ų161121.6 Ų121.686%0.86175%0.751SS**  trans-147.877.6148.8-122.88.7000109.1P243P243-N245 PolarHBondContact O-N 2.9Å
246T38.8Very low39.5Very low133 Ų133120.7 Ų120.782%0.81676%0.757SS**SBendtrans-158.5130.7162.5-23.10000109.5
247P37.7Very low39.1Very low128 Ų128124.1 Ų124.183%0.83178%0.78SS**  trans-74.2144.3-177.33.89000112.3
248A42Very low39.2Very low111 Ų111126.6 Ų126.692%0.91780%0.796SS**  trans-71.1144.7-179.600000113.6
249G36Very low39.4Very low77 Ų77131.8 Ų131.879%0.79480%0.8SS**  trans-148.5129.1166.700000110.7
250E36.5Very low39.6Very low181 Ų181134.9 Ų134.985%0.84681%0.813SS**  trans-64.1164.5-170.5-68.7-178.4140.900116I252E250-I252 PolarHBondContact O-N 2.9Å
251P41.6Very low39.5Very low132 Ų132138.1 Ų138.186%0.85782%0.818SS**  trans-85.4110.2-171.433-30.5000112.2
252I40.1Very low39.3Very low161 Ų161136.1 Ų136.183%0.82682%0.819SS**PPolyproline II helixtrans-103.2124.7170.4-25.8174.6000109.2E250E250-I252 PolarHBondContact O-N 2.9Å
253K42.7Very low39.9Very low191 Ų191135.4 Ų135.483%0.8382%0.822SS**PPolyproline II helixtrans-58.8135.5174.2-63.5176.4-179.61780110V255K253-V255 PolarHBondContact O-N 2.83Å
254P36.5Very low40Very low131 Ų131135.3 Ų135.385%0.85182%0.819SS**PPolyproline II helixtrans-79.5121.5-177.213-1.9000111.5
255V41.9Very low40.4Very low125 Ų125135.6 Ų135.676%0.75881%0.806SS**PPolyproline II helixtrans-93.9132.9157.3-1790000107.1K253 V257K253-V255 PolarHBondContact O-N 2.83Å; V255-V257 PolarHBondContact O-N 3.08Å
256P36.2Very low40.5Very low122 Ų122132.8 Ų132.879%0.79280%0.797SS**PPolyproline II helixtrans-79.7119.2-177.130.2-30.6000110.7
257V38.4Very low40.7Very low122 Ų122130.8 Ų130.874%0.73979%0.788SS**  trans-121.7133.5161.2-84.90000109V255 R259V255-V257 PolarHBondContact O-N 3.08Å; V257-R259 PolarHBondContact O-N 3.35Å
258P38Very low41Very low131 Ų131132.2 Ų132.285%0.85179%0.788SS**  trans-77.8119-173.930.3-30.8000109.7
259R36.8Very low41Very low233 Ų233134.9 Ų134.988%0.87979%0.786SS**  trans-107.8120.7165.3-97.5-177.1173.8128.3-2.3109.4V257 I261V257-R259 PolarHBondContact O-N 3.35Å; R259-I261 PolarHBondContact O-N 3.25Å
260S46.5Very low41.1Very low123 Ų123135.5 Ų135.586%0.8678%0.778SS**PPolyproline II helixtrans-58.7118.5174.6-150000110.1
261I41.7Very low41.4Very low141 Ų141131.6 Ų131.672%0.72378%0.777SS**PPolyproline II helixtrans-84.6129.9176.4-47.3165.6000107.5R259 A263 V264R259-I261 PolarHBondContact O-N 3.25Å; I261-A263 PolarHBondContact O-N 3.07Å; I261-V264 HydrophobicContact CG2-CG2 4.47Å
262P41.2Very low41.1Very low113 Ų113130.6 Ų130.673%0.73477%0.769SS**PPolyproline II helixtrans-64.5124159.7-10.324.7000108.1V264P262-V264 PolarHBondContact O-N 2.85Å
263A47.2Very low41.4Very low106 Ų106132.4 Ų132.488%0.87677%0.773SS**  trans-51.7109-176.700000111.5I261I261-A263 PolarHBondContact O-N 3.07Å
264V45Very low41.1Very low119 Ų119132.1 Ų132.172%0.72178%0.775SS**  trans-80.8129.5163.8-1250000106.7I261 P262I261-V264 HydrophobicContact CG2-CG2 4.47Å; P262-V264 PolarHBondContact O-N 2.85Å
265D44.2Very low41.3Very low107 Ų107128.8 Ų128.857%0.57277%0.765SS**  trans-55.4123.5-174.8-159.5-65.5000111.1S267D265-S267 PolarHBondContact O-N 3.19Å; D265-S267 VanDerWaalsContact OD1-CB 3.29Å; D265-S267 WeakPolarHBondContact OD1-CB 3.44Å; D265-S267 PolarHBondContact OD1-N 3.43Å; D265-S267 PolarHBondContact OD1-OG 2.95Å
266P42.3Very low41.5Very low101 Ų101130 Ų13066%0.65677%0.767SS**G310 helixtrans-60.8-6.1-177.6-23.833.6000115.3L268P266-L268 VanDerWaalsContact C-N 3.26Å; P266-L268 PolarHBondContact O-N 3.33Å
267S41.3Very low42.5Very low91 Ų91126.9 Ų126.964%0.63675%0.746SS**G310 helixtrans-66.7-19.7-179.5-52.60000114.5D265D265-S267 PolarHBondContact O-N 3.19Å; D265-S267 VanDerWaalsContact OD1-CB 3.29Å; D265-S267 WeakPolarHBondContact OD1-CB 3.44Å; D265-S267 PolarHBondContact OD1-N 3.43Å; D265-S267 PolarHBondContact OD1-OG 2.95Å
268L45.9Very low43.6Very low158 Ų158131.2 Ų131.283%0.82775%0.749SS**G310 helixtrans-90.2-8.8-177.5-64.3-179.1000114.6P266P266-L268 VanDerWaalsContact C-N 3.26Å; P266-L268 PolarHBondContact O-N 3.33Å
269L41.3Very low45.3Very low167 Ų167126.9 Ų126.987%0.87472%0.718SS**SBendtrans-111.30.7-177.1-76.4161.9000113.5
270S38.5Very low47.3Very low90 Ų90118.5 Ų118.563%0.62969%0.693SS**  trans-110.865.9175.2-58.10000110.7
271A41.7Very low48.8Very low100 Ų100117 Ų11783%0.82668%0.681SS**  trans-110.672.5153.100000107.1
272T35.9Very low50.7Low111 Ų111115.9 Ų115.968%0.68167%0.672SS**  trans-48.8140.3163-40.70000109E274T272-E274 PolarHBondContact O-N 3.26Å
273Q46Very low52.8Low198 Ų198111.1 Ų111.193%0.92564%0.64SS**  trans-43102.5165.5-79.5170.9-14.400110.9
274E36.8Very low54.6Low185 Ų185111.7 Ų111.786%0.86462%0.621SS**  trans-137.8111.1167.1-75.5-166.6142.100108.6T272T272-E274 PolarHBondContact O-N 3.26Å
275G41.3Very low56.7Low62 Ų62110.2 Ų110.264%0.63961%0.612SS**  trans124102.6173.300000112V277G275-V277 PolarHBondContact O-N 3.39Å
276D45.6Very low58.7Low151 Ų151109.7 Ų109.781%0.80760%0.602SS**  trans-59.875.3154.2-179.336.3000108.5R278D276-R278 PolarHBondContact O-N 2.86Å
277V56.6Low61Low56 Ų56105.1 Ų105.134%0.33957%0.573SS.*  trans-77.592.6174.7-176.60000106.2G275 L279G275-V277 PolarHBondContact O-N 3.39Å; V277-L279 HydrophobicContact CG1-CD2 3.8Å; V277-L279 HydrophobicContact CG1-CG 4.05Å; V277-L279 PolarHBondContact O-N 2.93Å
278R62.3Low63.5Low212 Ų212107.2 Ų107.280%0.857%0.573SS**  trans-6885.4168.2-69.8-17576.6-169.15.3108.8D276 T280D276-R278 PolarHBondContact O-N 2.86Å; R278-T280 PolarHBondContact O-N 3.41Å
279L72.9Confident65.8Low40 Ų40105.1 Ų105.121%0.20956%0.557CS.*  trans-61124.3171.5-66.1168.8000108.7V277 D283 Y284 L317V277-L279 HydrophobicContact CG1-CD2 3.8Å; V277-L279 HydrophobicContact CG1-CG 4.05Å; V277-L279 PolarHBondContact O-N 2.93Å; L279-D283 HydrophobicContact CB-CB 4.46Å; L279-D283 HydrophobicContact CD2-CB 4.15Å; L279-Y284 HydrophobicContact CB-CD2 4.25Å; L279-Y284 HydrophobicContact CB-CE2 3.48Å; L279-Y284 VanDerWaalsContact CB-CE2 3.48Å; L279-Y284 HydrophobicContact CD1-CE1 4.1Å; L279-Y284 HydrophobicContact CD1-CE2 4.35Å; L279-Y284 WeakPolarHBondContact CD1-OH 3.12Å; L279-L317 HydrophobicContact CD1-CD2 4.39Å
280T80Confident68.3Low58 Ų5898.8 Ų98.836%0.35652%0.522SS..  trans-83159.7176.379.60000110.2R278 E282 D283 Y284R278-T280 PolarHBondContact O-N 3.41Å; T280-E282 WeakPolarHBondContact CB-OE2 3.39Å; T280-E282 PolarHBondContact O-N 2.97Å; T280-E282 VanDerWaalsContact O-N 3.09Å; T280-E282 PolarHBondContact OG1-N 3.4Å; T280-E282 PolarHBondContact OG1-OE2 2.92Å; T280-D283 PolarHBondContact N-OD2 3.37Å; T280-D283 WeakPolarHBondContact O-CB 3.49Å; T280-D283 PolarHBondContact O-N 3Å; T280-Y284 VanDerWaalsContact O-CD2 3.28Å; T280-Y284 WeakPolarHBondContact O-CD2 3.01Å; T280-Y284 PolarHBondContact O-N 3.31Å
281P77.6Confident71Confident92 Ų9297.6 Ų97.660%0.59751%0.513SS*.Hα-helixtrans-52.7-29.8173.5-26.936.1000113.4T285P281-T285 PolarHBondContact O-N 2.67Å; P281-T285 PolarHBondContact O-OG1 3.06Å
282E80.3Confident73.5Confident117 Ų117100.2 Ų100.255%0.54751%0.506SS..Hα-helixtrans-69.3-33.6175.1-59.273.2-157.700112.5T280 T285 R286T280-E282 WeakPolarHBondContact CB-OE2 3.39Å; T280-E282 PolarHBondContact O-N 2.97Å; T280-E282 VanDerWaalsContact O-N 3.09Å; T280-E282 PolarHBondContact OG1-N 3.4Å; T280-E282 PolarHBondContact OG1-OE2 2.92Å; E282-T285 PolarHBondContact O-N 3.12Å; E282-R286 WeakPolarHBondContact O-CB 3.42Å; E282-R286 VanDerWaalsContact O-CG 3.29Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 3.46Å
283D85.6Confident76.3Confident12 Ų12100.1 Ų100.16%0.06449%0.493CS..Hα-helixtrans-66.5-43175-62.4-31.5000111.3L279 T280 R286 A287 L316L279-D283 HydrophobicContact CB-CB 4.46Å; L279-D283 HydrophobicContact CD2-CB 4.15Å; T280-D283 PolarHBondContact N-OD2 3.37Å; T280-D283 WeakPolarHBondContact O-CB 3.49Å; T280-D283 PolarHBondContact O-N 3Å; D283-R286 PolarHBondContact O-N 2.72Å; D283-R286 IonicContact OD1-CZ 3.54Å; D283-R286 IonicContact OD1-NE 3.88Å; D283-R286 IonicContact OD1-NH2 2.6Å; D283-R286 PolarHBondContact OD1-NH2 3.07Å; D283-A287 WeakPolarHBondContact O-CB 3.43Å; D283-A287 PolarHBondContact O-N 2.69Å; D283-L316 WeakPolarHBondContact O-CD2 3.09Å
284Y85.1Confident78.7Confident119 Ų11990.8 Ų90.847%0.46745%0.45SS..Hα-helixtrans-63.1-42.9174.6-70.9-75.4000111.8L279 T280 R286 A287 Q288 L317L279-Y284 HydrophobicContact CB-CD2 4.25Å; L279-Y284 HydrophobicContact CB-CE2 3.48Å; L279-Y284 VanDerWaalsContact CB-CE2 3.48Å; L279-Y284 HydrophobicContact CD1-CE1 4.1Å; L279-Y284 HydrophobicContact CD1-CE2 4.35Å; L279-Y284 WeakPolarHBondContact CD1-OH 3.12Å; T280-Y284 VanDerWaalsContact O-CD2 3.28Å; T280-Y284 WeakPolarHBondContact O-CD2 3.01Å; T280-Y284 PolarHBondContact O-N 3.31Å; Y284-R286 VanDerWaalsContact C-N 3.31Å; Y284-R286 PolarHBondContact O-N 3.08Å; Y284-A287 PolarHBondContact O-N 3.05Å; Y284-Q288 WeakPolarHBondContact O-CG 3.3Å; Y284-Q288 PolarHBondContact O-N 2.96Å; Y284-L317 HydrophobicContact CD1-CD2 4.38Å; Y284-L317 HydrophobicContact CE1-CD2 4.4Å
285T88.9Confident81.2Confident88 Ų8883.9 Ų83.954%0.5443%0.428SS..Hα-helixtrans-62.4-39.7177-55.60000111.2P281 E282 K289P281-T285 PolarHBondContact O-N 2.67Å; P281-T285 PolarHBondContact O-OG1 3.06Å; E282-T285 PolarHBondContact O-N 3.12Å; T285-K289 PolarHBondContact O-N 3.32Å; T285-K289 VanDerWaalsContact O-N 3.09Å
286R86.8Confident83.7Confident95 Ų9583.7 Ų83.736%0.35842%0.417SS..Hα-helixtrans-69.2-41.4175.8-75.2-172.7-69.8171.4-7.9112.5E282 D283 Y284 Q288 K289 Y290 L316 E322E282-R286 WeakPolarHBondContact O-CB 3.42Å; E282-R286 VanDerWaalsContact O-CG 3.29Å; E282-R286 WeakPolarHBondContact O-CG 3.39Å; E282-R286 PolarHBondContact O-N 3.46Å; D283-R286 PolarHBondContact O-N 2.72Å; D283-R286 IonicContact OD1-CZ 3.54Å; D283-R286 IonicContact OD1-NE 3.88Å; D283-R286 IonicContact OD1-NH2 2.6Å; D283-R286 PolarHBondContact OD1-NH2 3.07Å; Y284-R286 VanDerWaalsContact C-N 3.31Å; Y284-R286 PolarHBondContact O-N 3.08Å; R286-Q288 VanDerWaalsContact C-N 3.35Å; R286-Q288 PolarHBondContact O-N 3.26Å; R286-K289 VanDerWaalsContact O-CB 3.3Å; R286-K289 WeakPolarHBondContact O-CB 3.43Å; R286-K289 PolarHBondContact O-N 3.13Å; R286-K289 VanDerWaalsContact O-N 3.13Å; R286-Y290 WeakPolarHBondContact O-CD2 3.32Å; R286-Y290 PolarHBondContact O-N 3.03Å; R286-L316 HydrophobicContact CB-CD2 3.71Å; R286-E322 IonicContact NH1-OE2 3.38Å; R286-E322 PolarHBondContact NH1-OE2 3.23Å
287A91.4Very high86Confident6 Ų677 Ų775%0.0538%0.383CS..Hα-helixtrans-60.5-44.517500000111.5D283 Y284 K289 Y290 C291 L316 L317D283-A287 WeakPolarHBondContact O-CB 3.43Å; D283-A287 PolarHBondContact O-N 2.69Å; Y284-A287 PolarHBondContact O-N 3.05Å; A287-K289 VanDerWaalsContact C-N 3.28Å; A287-K289 PolarHBondContact O-N 3.41Å; A287-Y290 PolarHBondContact O-N 3.35Å; A287-C291 PolarHBondContact O-N 3.39Å; A287-C291 PolarHBondContact O-SG 3.04Å; A287-C291 VanDerWaalsContact O-SG 3.36Å; A287-L316 HydrophobicContact CB-CD2 4.29Å; A287-L317 HydrophobicContact CB-CD1 4.2Å; A287-L317 HydrophobicContact CB-CD2 3.85Å; A287-L317 HydrophobicContact CB-CG 3.96Å
288Q92.7Very high87.6Confident135 Ų13579.3 Ų79.363%0.63139%0.393SS*.Hα-helixtrans-58.9-39.4173.5-74.4176.6-29.600112.2Y284 R286 C291 K292Y284-Q288 WeakPolarHBondContact O-CG 3.3Å; Y284-Q288 PolarHBondContact O-N 2.96Å; R286-Q288 VanDerWaalsContact C-N 3.35Å; R286-Q288 PolarHBondContact O-N 3.26Å; Q288-C291 PolarHBondContact O-N 3.26Å; Q288-K292 PolarHBondContact O-N 3.02Å
289K94.2Very high89Confident113 Ų11376.5 Ų76.549%0.49139%0.389SS..Hα-helixtrans-63.3-43.2176.9-161.3-178.2-172-166.20112T285 R286 A287 K292 Y293T285-K289 PolarHBondContact O-N 3.32Å; T285-K289 VanDerWaalsContact O-N 3.09Å; R286-K289 VanDerWaalsContact O-CB 3.3Å; R286-K289 WeakPolarHBondContact O-CB 3.43Å; R286-K289 PolarHBondContact O-N 3.13Å; R286-K289 VanDerWaalsContact O-N 3.13Å; A287-K289 VanDerWaalsContact C-N 3.28Å; A287-K289 PolarHBondContact O-N 3.41Å; K289-K292 PolarHBondContact O-N 3.05Å; K289-Y293 HydrophobicContact CD-CE2 4.14Å; K289-Y293 WeakPolarHBondContact CE-OH 3.16Å; K289-Y293 HydrophobicContact CG-CD2 4.37Å; K289-Y293 HydrophobicContact CG-CE1 4.47Å; K289-Y293 HydrophobicContact CG-CE2 3.86Å; K289-Y293 PolarHBondContact O-N 3.23Å
290Y94.8Very high89.9Confident34 Ų3483.7 Ų83.713%0.13342%0.415CS..Hα-helixtrans-63.3-41.4175-73.7-47.4000112.2R286 A287 K292 Y293 A294 N309 K312 L316 E322R286-Y290 WeakPolarHBondContact O-CD2 3.32Å; R286-Y290 PolarHBondContact O-N 3.03Å; A287-Y290 PolarHBondContact O-N 3.35Å; Y290-K292 VanDerWaalsContact C-N 3.33Å; Y290-K292 PolarHBondContact O-N 3.17Å; Y290-Y293 PolarHBondContact O-N 3.42Å; Y290-A294 PolarHBondContact O-N 3.1Å; Y290-N309 WeakPolarHBondContact CD1-OD1 3.41Å; Y290-K312 HydrophobicContact CD1-CB 4.21Å; Y290-K312 HydrophobicContact CD1-CD 4.25Å; Y290-K312 HydrophobicContact CD2-CB 4.04Å; Y290-K312 HydrophobicContact CE1-CB 4.3Å; Y290-K312 HydrophobicContact CE1-CD 3.82Å; Y290-K312 HydrophobicContact CE2-CB 4.11Å; Y290-K312 HydrophobicContact CG-CB 4.12Å; Y290-L316 HydrophobicContact CE2-CD2 4.48Å; Y290-E322 PolarHBondContact OH-OE1 3.16Å
291C95.3Very high90.4Very high65 Ų6589.3 Ų89.344%0.43944%0.437SS..Hα-helixtrans-61.3-40.3173.1-65.20000112.2A287 Q288 A294 G295A287-C291 PolarHBondContact O-N 3.39Å; A287-C291 PolarHBondContact O-SG 3.04Å; A287-C291 VanDerWaalsContact O-SG 3.36Å; Q288-C291 PolarHBondContact O-N 3.26Å; C291-A294 PolarHBondContact O-N 2.84Å; C291-G295 PolarHBondContact O-N 2.82Å
292K94.1Very high91.2Very high156 Ų15688.2 Ų88.268%0.67843%0.426SS*.Hα-helixtrans-64.2-42.7176.2-172.2173.2-178172.80112.2Q288 K289 Y290 G295 S296Q288-K292 PolarHBondContact O-N 3.02Å; K289-K292 PolarHBondContact O-N 3.05Å; Y290-K292 VanDerWaalsContact C-N 3.33Å; Y290-K292 PolarHBondContact O-N 3.17Å; K292-G295 PolarHBondContact O-N 3.01Å; K292-S296 PolarHBondContact O-N 2.94Å; K292-S296 PolarHBondContact O-OG 3.17Å
293Y94.4Very high91.7Very high108 Ų10887.3 Ų87.342%0.42443%0.428SS..Hα-helixtrans-67.1-36.1176.6-67.7-20.8000113K289 Y290 G295 S296 A297K289-Y293 HydrophobicContact CD-CE2 4.14Å; K289-Y293 WeakPolarHBondContact CE-OH 3.16Å; K289-Y293 HydrophobicContact CG-CD2 4.37Å; K289-Y293 HydrophobicContact CG-CE1 4.47Å; K289-Y293 HydrophobicContact CG-CE2 3.86Å; K289-Y293 PolarHBondContact O-N 3.23Å; Y290-Y293 PolarHBondContact O-N 3.42Å; Y293-G295 VanDerWaalsContact C-N 3.34Å; Y293-S296 PolarHBondContact O-N 2.95Å; Y293-A297 WeakPolarHBondContact O-CB 3.48Å; Y293-A297 PolarHBondContact O-N 3.18Å
294A95.6Very high92.1Very high3 Ų388.6 Ų88.63%0.02545%0.445CS..Hα-helixtrans-61.6-43.4170.600000111.3Y290 C291 S296 A297 L298 N309 L310Y290-A294 PolarHBondContact O-N 3.1Å; C291-A294 PolarHBondContact O-N 2.84Å; A294-S296 PolarHBondContact O-N 3.24Å; A294-A297 PolarHBondContact O-N 3.18Å; A294-L298 WeakPolarHBondContact O-CG 3.42Å; A294-L298 PolarHBondContact O-N 2.95Å; A294-N309 HydrophobicContact CB-CB 3.97Å; A294-L310 HydrophobicContact CB-CD2 3.93Å; A294-L310 HydrophobicContact CB-CG 3.8Å
295G90.1Very high92.4Very high39 Ų3985.3 Ų85.340%0.40244%0.437SS..Hα-helixtrans-59.3-44.9174.700000113C291 K292 Y293 L298 Q299C291-G295 PolarHBondContact O-N 2.82Å; K292-G295 PolarHBondContact O-N 3.01Å; Y293-G295 VanDerWaalsContact C-N 3.34Å; G295-L298 PolarHBondContact O-N 3.41Å; G295-Q299 PolarHBondContact O-N 2.99Å; G295-Q299 VanDerWaalsContact O-N 3.17Å
296S94.3Very high92.5Very high58 Ų5881.3 Ų81.341%0.40641%0.412SS..Hα-helixtrans-63.5-40.3174.4-58.80000112.3K292 Y293 A294 L298 Q299 Y300K292-S296 PolarHBondContact O-N 2.94Å; K292-S296 PolarHBondContact O-OG 3.17Å; Y293-S296 PolarHBondContact O-N 2.95Å; A294-S296 PolarHBondContact O-N 3.24Å; S296-L298 VanDerWaalsContact C-N 3.34Å; S296-L298 PolarHBondContact O-N 2.91Å; S296-Q299 WeakPolarHBondContact O-CB 3.2Å; S296-Q299 PolarHBondContact O-N 3.27Å; S296-Y300 WeakPolarHBondContact O-CD2 3.44Å; S296-Y300 PolarHBondContact O-N 2.83Å
297A92.3Very high92.8Very high10 Ų1080.9 Ų80.98%0.08342%0.42CS..Hα-helixtrans-63.6-39.3177.700000112.1Y293 A294 Q299 Y300 E301 D302 T305 A306Y293-A297 WeakPolarHBondContact O-CB 3.48Å; Y293-A297 PolarHBondContact O-N 3.18Å; A294-A297 PolarHBondContact O-N 3.18Å; A297-Q299 VanDerWaalsContact C-N 3.29Å; A297-Q299 PolarHBondContact O-N 3.04Å; A297-Y300 CarbonylContact O-C 3.47Å; A297-Y300 PolarHBondContact O-N 3.29Å; A297-E301 PolarHBondContact O-N 2.97Å; A297-D302 HydrophobicContact CB-CB 4.42Å; A297-D302 PolarHBondContact O-N 3.47Å; A297-T305 HydrophobicContact CB-CG2 3.85Å; A297-A306 HydrophobicContact CB-CB 4.02Å
298L91.2Very high93Very high105 Ų10586.3 Ų86.355%0.5545%0.445SS..Hα-helixtrans-63-34.5173.9-68.8171.7000112.4A294 G295 S296 Y300 E301 A306A294-L298 WeakPolarHBondContact O-CG 3.42Å; A294-L298 PolarHBondContact O-N 2.95Å; G295-L298 PolarHBondContact O-N 3.41Å; S296-L298 VanDerWaalsContact C-N 3.34Å; S296-L298 PolarHBondContact O-N 2.91Å; L298-Y300 PolarHBondContact O-N 3.37Å; L298-E301 PolarHBondContact O-N 3.46Å; L298-E301 VanDerWaalsContact O-N 3.1Å; L298-A306 HydrophobicContact CD2-CB 3.74Å; L298-A306 HydrophobicContact CG-CB 3.85Å
299Q91.1Very high93.1Very high153 Ų15380.6 Ų80.672%0.71542%0.418SS*.Hα-helixtrans-64.5-26.9176.2-169.660.95100113.2G295 S296 A297G295-Q299 PolarHBondContact O-N 2.99Å; G295-Q299 VanDerWaalsContact O-N 3.17Å; S296-Q299 WeakPolarHBondContact O-CB 3.2Å; S296-Q299 PolarHBondContact O-N 3.27Å; A297-Q299 VanDerWaalsContact C-N 3.29Å; A297-Q299 PolarHBondContact O-N 3.04Å
300Y91.4Very high93.2Very high192 Ų19279.5 Ų79.575%0.75342%0.417SS*.THydrogen-bonded Turntrans-102.514.5175.5-63.6-74.9000112.7S296 A297 L298 D302S296-Y300 WeakPolarHBondContact O-CD2 3.44Å; S296-Y300 PolarHBondContact O-N 2.83Å; A297-Y300 CarbonylContact O-C 3.47Å; A297-Y300 PolarHBondContact O-N 3.29Å; L298-Y300 PolarHBondContact O-N 3.37Å; Y300-D302 PolarHBondContact O-N 3.48Å; Y300-D302 VanDerWaalsContact O-N 3.09Å
301E92.1Very high93.1Very high175 Ų17583.3 Ų83.382%0.81844%0.437SS*.THydrogen-bonded Turntrans56.922.1-179.4-54.7-175129.100114.4A297 L298 V303A297-E301 PolarHBondContact O-N 2.97Å; L298-E301 PolarHBondContact O-N 3.46Å; L298-E301 VanDerWaalsContact O-N 3.1Å; E301-V303 PolarHBondContact O-N 3.45Å; E301-V303 VanDerWaalsContact O-N 3.13Å
302D93.3Very high93Very high70 Ų7084.3 Ų84.337%0.37443%0.433SS..  trans-86.782.3176.2-173.3-11000110.6A297 Y300 G304 T305 A306A297-D302 HydrophobicContact CB-CB 4.42Å; A297-D302 PolarHBondContact O-N 3.47Å; Y300-D302 PolarHBondContact O-N 3.48Å; Y300-D302 VanDerWaalsContact O-N 3.09Å; D302-G304 VanDerWaalsContact C-N 3.26Å; D302-G304 PolarHBondContact O-N 3.13Å; D302-G304 PolarHBondContact OD1-N 3.37Å; D302-T305 VanDerWaalsContact CG-CB 3.44Å; D302-T305 PolarHBondContact O-N 3.35Å; D302-T305 PolarHBondContact OD1-N 2.94Å; D302-T305 PolarHBondContact OD1-OG1 3.16Å; D302-T305 VanDerWaalsContact OD2-CB 3.23Å; D302-T305 WeakPolarHBondContact OD2-CB 3.3Å; D302-T305 PolarHBondContact OD2-OG1 3.26Å; D302-A306 WeakPolarHBondContact O-CB 3.41Å; D302-A306 PolarHBondContact O-N 3.36Å
303V91.4Very high92.9Very high97 Ų9777.1 Ų77.159%0.58840%0.403SS*.Hα-helixtrans-61-35.5179.6-176.50000111.8E301 A306 V307E301-V303 PolarHBondContact O-N 3.45Å; E301-V303 VanDerWaalsContact O-N 3.13Å; V303-A306 PolarHBondContact O-N 2.85Å; V303-V307 HydrophobicContact CG1-CG2 4.26Å; V303-V307 VanDerWaalsContact O-CG2 3.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.38Å; V303-V307 PolarHBondContact O-N 3.04Å
304G93Very high92.7Very high40 Ų4076.6 Ų76.641%0.41241%0.407SS..Hα-helixtrans-64.4-49.2-178.600000111.4D302 A306 Q308D302-G304 VanDerWaalsContact C-N 3.26Å; D302-G304 PolarHBondContact O-N 3.13Å; D302-G304 PolarHBondContact OD1-N 3.37Å; G304-A306 VanDerWaalsContact C-N 3.34Å; G304-Q308 VanDerWaalsContact O-CG 3.28Å; G304-Q308 WeakPolarHBondContact O-CG 3.37Å; G304-Q308 PolarHBondContact O-N 2.67Å; G304-Q308 VanDerWaalsContact O-N 3.11Å
305T92.2Very high92.4Very high50 Ų5079.2 Ų79.231%0.30742%0.421SS..Hα-helixtrans-67.1-35.6176.9-61.40000111.7A297 D302 Q308 N309A297-T305 HydrophobicContact CB-CG2 3.85Å; D302-T305 VanDerWaalsContact CG-CB 3.44Å; D302-T305 PolarHBondContact O-N 3.35Å; D302-T305 PolarHBondContact OD1-N 2.94Å; D302-T305 PolarHBondContact OD1-OG1 3.16Å; D302-T305 VanDerWaalsContact OD2-CB 3.23Å; D302-T305 WeakPolarHBondContact OD2-CB 3.3Å; D302-T305 PolarHBondContact OD2-OG1 3.26Å; T305-Q308 PolarHBondContact O-N 3.19Å; T305-N309 WeakPolarHBondContact CG2-ND2 3.48Å; T305-N309 PolarHBondContact O-N 3.42Å; T305-N309 VanDerWaalsContact O-N 3.11Å; T305-N309 PolarHBondContact O-ND2 3.41Å
306A90.2Very high92.4Very high3 Ų377.4 Ų77.43%0.02540%0.402CS..Hα-helixtrans-62.1-50.3176.300000112.1A297 L298 D302 V303 G304 Q308 N309 L310A297-A306 HydrophobicContact CB-CB 4.02Å; L298-A306 HydrophobicContact CD2-CB 3.74Å; L298-A306 HydrophobicContact CG-CB 3.85Å; D302-A306 WeakPolarHBondContact O-CB 3.41Å; D302-A306 PolarHBondContact O-N 3.36Å; V303-A306 PolarHBondContact O-N 2.85Å; G304-A306 VanDerWaalsContact C-N 3.34Å; A306-Q308 VanDerWaalsContact C-N 3.34Å; A306-Q308 PolarHBondContact O-N 3.24Å; A306-N309 PolarHBondContact O-N 3.15Å; A306-L310 WeakPolarHBondContact O-CG 3.39Å; A306-L310 PolarHBondContact O-N 3.25Å; A306-L310 VanDerWaalsContact O-N 3.08Å
307V94.4Very high92Very high86 Ų8678.1 Ų78.152%0.52140%0.401SS..Hα-helixtrans-62.3-42.1179.1172.20000111.2V303 N309 L310 Q311V303-V307 HydrophobicContact CG1-CG2 4.26Å; V303-V307 VanDerWaalsContact O-CG2 3.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.38Å; V303-V307 PolarHBondContact O-N 3.04Å; V307-N309 PolarHBondContact O-N 2.99Å; V307-L310 PolarHBondContact O-N 3.29Å; V307-Q311 WeakPolarHBondContact O-CB 3.38Å; V307-Q311 PolarHBondContact O-N 2.85Å
308Q95.3Very high91.6Very high120 Ų12082.2 Ų82.256%0.56143%0.425SS*.Hα-helixtrans-60.9-43.4178.2-75.1177.521.700112.7G304 T305 A306 Q311 K312G304-Q308 VanDerWaalsContact O-CG 3.28Å; G304-Q308 WeakPolarHBondContact O-CG 3.37Å; G304-Q308 PolarHBondContact O-N 2.67Å; G304-Q308 VanDerWaalsContact O-N 3.11Å; T305-Q308 PolarHBondContact O-N 3.19Å; A306-Q308 VanDerWaalsContact C-N 3.34Å; A306-Q308 PolarHBondContact O-N 3.24Å; Q308-Q311 PolarHBondContact O-N 2.59Å; Q308-K312 WeakPolarHBondContact O-CG 3.17Å; Q308-K312 PolarHBondContact O-N 3.4Å; Q308-K312 VanDerWaalsContact O-N 3.08Å
309N94.4Very high91.1Very high15 Ų1580.1 Ų80.18%0.0842%0.417CS..Hα-helixtrans-69.7-38179.5-77.2-68.4000112Y290 A294 T305 A306 V307 K312 A313Y290-N309 WeakPolarHBondContact CD1-OD1 3.41Å; A294-N309 HydrophobicContact CB-CB 3.97Å; T305-N309 WeakPolarHBondContact CG2-ND2 3.48Å; T305-N309 PolarHBondContact O-N 3.42Å; T305-N309 VanDerWaalsContact O-N 3.11Å; T305-N309 PolarHBondContact O-ND2 3.41Å; A306-N309 PolarHBondContact O-N 3.15Å; V307-N309 PolarHBondContact O-N 2.99Å; N309-K312 PolarHBondContact O-N 2.8Å; N309-A313 PolarHBondContact O-N 3.1Å
310L95.3Very high90.2Very high90 Ų9073.9 Ų73.947%0.47139%0.393SS..Hα-helixtrans-64.5-39.9174.4-69.3171.6000112A294 A306 V307 K312 A313 L314A294-L310 HydrophobicContact CB-CD2 3.93Å; A294-L310 HydrophobicContact CB-CG 3.8Å; A306-L310 WeakPolarHBondContact O-CG 3.39Å; A306-L310 PolarHBondContact O-N 3.25Å; A306-L310 VanDerWaalsContact O-N 3.08Å; V307-L310 PolarHBondContact O-N 3.29Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 2.97Å; L310-A313 PolarHBondContact O-N 3.36Å; L310-L314 WeakPolarHBondContact O-CB 3.11Å; L310-L314 PolarHBondContact O-N 2.7Å
311Q94.4Very high89.1Confident115 Ų11572.2 Ų72.254%0.53739%0.39SS..Hα-helixtrans-64.8-38.6176.5-16863.159.100111.8V307 Q308 L314 N315V307-Q311 WeakPolarHBondContact O-CB 3.38Å; V307-Q311 PolarHBondContact O-N 2.85Å; Q308-Q311 PolarHBondContact O-N 2.59Å; Q311-L314 PolarHBondContact O-N 2.94Å; Q311-N315 WeakPolarHBondContact O-CB 3.19Å; Q311-N315 PolarHBondContact O-N 2.95Å
312K91.9Very high87.7Confident85 Ų8570.1 Ų70.137%0.3738%0.38SS..Hα-helixtrans-64.3-43.3173.9-73.3175.7-177.3-179.10112.3Y290 Q308 N309 L310 L314 N315 L316Y290-K312 HydrophobicContact CD1-CB 4.21Å; Y290-K312 HydrophobicContact CD1-CD 4.25Å; Y290-K312 HydrophobicContact CD2-CB 4.04Å; Y290-K312 HydrophobicContact CE1-CB 4.3Å; Y290-K312 HydrophobicContact CE1-CD 3.82Å; Y290-K312 HydrophobicContact CE2-CB 4.11Å; Y290-K312 HydrophobicContact CG-CB 4.12Å; Q308-K312 WeakPolarHBondContact O-CG 3.17Å; Q308-K312 PolarHBondContact O-N 3.4Å; Q308-K312 VanDerWaalsContact O-N 3.08Å; N309-K312 PolarHBondContact O-N 2.8Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 2.97Å; K312-L314 VanDerWaalsContact C-N 3.34Å; K312-N315 PolarHBondContact O-N 2.88Å; K312-L316 WeakPolarHBondContact O-CB 3.3Å; K312-L316 PolarHBondContact O-N 3.14Å
313A93.2Very high87.4Confident5 Ų570.2 Ų70.24%0.04138%0.38CS..Hα-helixtrans-60.3-46.1175.100000111.1N309 L310 L316 L317N309-A313 PolarHBondContact O-N 3.1Å; L310-A313 PolarHBondContact O-N 3.36Å; A313-L316 PolarHBondContact O-N 3.39Å; A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 VanDerWaalsContact O-CG 3.22Å; A313-L317 WeakPolarHBondContact O-CG 3.49Å; A313-L317 PolarHBondContact O-N 3.15Å
314L90.3Very high87.2Confident98 Ų9868.7 Ų68.751%0.51337%0.37SS..Hα-helixtrans-64.5-42.2179.3-173.964.6000112L310 Q311 K312 L317 T318L310-L314 WeakPolarHBondContact O-CB 3.11Å; L310-L314 PolarHBondContact O-N 2.7Å; Q311-L314 PolarHBondContact O-N 2.94Å; K312-L314 VanDerWaalsContact C-N 3.34Å; L314-L317 PolarHBondContact O-N 3.48Å; L314-T318 VanDerWaalsContact O-CB 3.3Å; L314-T318 WeakPolarHBondContact O-CB 3.45Å; L314-T318 PolarHBondContact O-N 2.93Å; L314-T318 PolarHBondContact O-OG1 2.86Å
315N89.5Confident86.9Confident58 Ų5870.3 Ų70.331%0.3137%0.367SS..Hα-helixtrans-64.5-44.7178.3-16226.9000111.5Q311 K312 L317 T318 T319 K321 E322Q311-N315 WeakPolarHBondContact O-CB 3.19Å; Q311-N315 PolarHBondContact O-N 2.95Å; K312-N315 PolarHBondContact O-N 2.88Å; N315-L317 VanDerWaalsContact C-N 3.35Å; N315-L317 PolarHBondContact O-N 3.26Å; N315-T318 PolarHBondContact O-N 3.29Å; N315-T319 WeakPolarHBondContact O-CB 3.42Å; N315-T319 PolarHBondContact O-N 3.05Å; N315-T319 PolarHBondContact O-OG1 3.1Å; N315-T319 VanDerWaalsContact OD1-CG2 3.32Å; N315-T319 WeakPolarHBondContact OD1-CG2 3.5Å; N315-T319 PolarHBondContact OD1-OG1 2.85Å; N315-K321 CarbonylContact C-O 3.12Å; N315-E322 PolarHBondContact ND2-OXT 3.48Å
316L88.8Confident86.6Confident0 Ų071.5 Ų71.50%037%0.371CS..Hα-helixtrans-61.3-42.6177.6-176.463.6000111.9D283 R286 A287 Y290 K312 A313 T318 G320 K321 E322D283-L316 WeakPolarHBondContact O-CD2 3.09Å; R286-L316 HydrophobicContact CB-CD2 3.71Å; A287-L316 HydrophobicContact CB-CD2 4.29Å; Y290-L316 HydrophobicContact CE2-CD2 4.48Å; K312-L316 WeakPolarHBondContact O-CB 3.3Å; K312-L316 PolarHBondContact O-N 3.14Å; A313-L316 PolarHBondContact O-N 3.39Å; L316-T318 VanDerWaalsContact C-N 3.34Å; L316-G320 VanDerWaalsContact O-CA 3.23Å; L316-G320 WeakPolarHBondContact O-CA 3.14Å; L316-G320 PolarHBondContact O-N 3.42Å; L316-K321 WeakPolarHBondContact CA-O 3.15Å; L316-K321 PolarHBondContact N-O 2.97Å; L316-E322 HydrophobicContact CD1-CG 4.45Å
317L86.4Confident86.4Confident74 Ų7475.8 Ų75.839%0.38739%0.392SS..Hα-helixtrans-73.7-24.7-179.9-68.3172.4000113.5L279 Y284 A287 A313 L314 N315L279-L317 HydrophobicContact CD1-CD2 4.39Å; Y284-L317 HydrophobicContact CD1-CD2 4.38Å; Y284-L317 HydrophobicContact CE1-CD2 4.4Å; A287-L317 HydrophobicContact CB-CD1 4.2Å; A287-L317 HydrophobicContact CB-CD2 3.85Å; A287-L317 HydrophobicContact CB-CG 3.96Å; A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 VanDerWaalsContact O-CG 3.22Å; A313-L317 WeakPolarHBondContact O-CG 3.49Å; A313-L317 PolarHBondContact O-N 3.15Å; L314-L317 PolarHBondContact O-N 3.48Å; N315-L317 VanDerWaalsContact C-N 3.35Å; N315-L317 PolarHBondContact O-N 3.26Å
318T83.8Confident85.8Confident95 Ų9575.1 Ų75.158%0.58338%0.384SS*.Hα-helixtrans-95.2-31.9-177.7-48.90000112.3L314 N315 L316L314-T318 VanDerWaalsContact O-CB 3.3Å; L314-T318 WeakPolarHBondContact O-CB 3.45Å; L314-T318 PolarHBondContact O-N 2.93Å; L314-T318 PolarHBondContact O-OG1 2.86Å; N315-T318 PolarHBondContact O-N 3.29Å; L316-T318 VanDerWaalsContact C-N 3.34Å
319T81.4Confident85.2Confident62 Ų6271.9 Ų71.938%0.3837%0.371SS..Hα-helixtrans-118.4-11.9-17273.10000114.1N315 K321N315-T319 WeakPolarHBondContact O-CB 3.42Å; N315-T319 PolarHBondContact O-N 3.05Å; N315-T319 PolarHBondContact O-OG1 3.1Å; N315-T319 VanDerWaalsContact OD1-CG2 3.32Å; N315-T319 WeakPolarHBondContact OD1-CG2 3.5Å; N315-T319 PolarHBondContact OD1-OG1 2.85Å; T319-K321 PolarHBondContact O-N 2.88Å; T319-K321 PolarHBondContact OG1-N 2.71Å; T319-K321 PolarHBondContact OG1-O 2.59Å; T319-K321 VanDerWaalsContact OG1-O 3.09Å
320G72.6Confident84.4Confident22 Ų2276.3 Ų76.323%0.22739%0.393CS..SBendtrans67.912.4-172.300000113.7L316L316-G320 VanDerWaalsContact O-CA 3.23Å; L316-G320 WeakPolarHBondContact O-CA 3.14Å; L316-G320 PolarHBondContact O-N 3.42Å
321K67.6Low83.5Confident157 Ų15775.2 Ų75.268%0.68339%0.387SS*.  trans-137151-179.6-63.7-178.9-177173.60110.5N315 L316 T319N315-K321 CarbonylContact C-O 3.12Å; L316-K321 WeakPolarHBondContact CA-O 3.15Å; L316-K321 PolarHBondContact N-O 2.97Å; T319-K321 PolarHBondContact O-N 2.88Å; T319-K321 PolarHBondContact OG1-N 2.71Å; T319-K321 PolarHBondContact OG1-O 2.59Å; T319-K321 VanDerWaalsContact OG1-O 3.09Å
322E62.8Low82.5Confident131 Ų13171.5 Ų71.561%0.61237%0.373SS*.  trans-72.70-179.1-74.4177.991.600113.1R286 Y290 N315 L316R286-E322 IonicContact NH1-OE2 3.38Å; R286-E322 PolarHBondContact NH1-OE2 3.23Å; Y290-E322 PolarHBondContact OH-OE1 3.16Å; N315-E322 PolarHBondContact ND2-OXT 3.48Å; L316-E322 HydrophobicContact CD1-CG 4.45Å

Retrieved 322 of 322 residues in 1547.9 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).