A0A060D8J7_MAIZE Loading...

MYB transcription factor

AlphaFold DB , UniProt , Accession A0A060D8J7, Species MAIZE (Zea mays, Maize), Gene MYB53, Length 264 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
1M57.9Low52.5Low242 Ų242149.4 Ų149.4100%1.19286%0.855SS**  0100.70-69.4176.5172.400107
2T53.2Low51.8Low146 Ų146157.3 Ų157.390%0.89686%0.86SS**  trans-116.7103.1-171.3-45.20000107.8
3T63.3Low51Low141 Ų141150.6 Ų150.687%0.86585%0.851SS**  trans-91.6103.5176.144.60000108.9R5T3-R5 PolarHBondContact O-N 3.45Å
4S50.8Low50.7Low110 Ų110146.1 Ų146.177%0.76983%0.833SS**  trans-71.9118.7170.3-171.60000109.3V6S4-V6 PolarHBondContact O-N 3.43Å
5R61Low50.8Low244 Ų244147.5 Ų147.592%0.92184%0.837SS**  trans-76.9110169.5-96.8-176.7-172.1173.83.4108.6T3 A7T3-R5 PolarHBondContact O-N 3.45Å; R5-A7 PolarHBondContact O-N 3.36Å
6V55.2Low51.1Low127 Ų127147.8 Ų147.877%0.7784%0.836SS**  trans-61112.3164.61760000108.4S4 R8S4-V6 PolarHBondContact O-N 3.43Å; V6-R8 PolarHBondContact O-N 3.26Å
7A53.8Low51.5Low94 Ų94146.6 Ų146.678%0.77782%0.822SS**  trans-65.2113.5166.600000108.2R5 S9R5-A7 PolarHBondContact O-N 3.36Å; A7-S9 PolarHBondContact O-N 3.37Å
8R48.7Very low52.2Low232 Ų232142.8 Ų142.888%0.87581%0.805SS**  trans-71.9109168.2-71.3-174.3-176.1-154.50.6107.7V6 C10V6-R8 PolarHBondContact O-N 3.26Å; R8-C10 PolarHBondContact O-N 3.33Å
9S46.2Very low53.5Low114 Ų114140 Ų14080%0.79780%0.801SS**  trans-53.9113.4164.5170.30000109.2A7 G11A7-S9 PolarHBondContact O-N 3.37Å; S9-G11 PolarHBondContact O-N 3.36Å
10C46.4Very low55Low126 Ų126136 Ų13685%0.85178%0.779SS**  trans-66.6112.7166.1-59.70000107.8R8R8-C10 PolarHBondContact O-N 3.33Å
11G40.9Very low56.5Low67 Ų67133.1 Ų133.169%0.69176%0.756SS**  trans-62.7132.7-179.400000112.5S9S9-G11 PolarHBondContact O-N 3.36Å
12R43.8Very low57.8Low244 Ų244130.5 Ų130.592%0.92174%0.737SS**  trans18.5109.5147.7-75174.8175.5-127.9-1.9116.6S14R12-S14 PolarHBondContact O-N 3.18Å
13G41.3Very low59.5Low71 Ų71125.3 Ų125.373%0.73271%0.713SS**  trans-63.9126.8149.600000109
14S47.9Very low60.7Low87 Ų87123.4 Ų123.461%0.60870%0.703SS**  trans-76.4128.1162.844.70000108.4R12 D16R12-S14 PolarHBondContact O-N 3.18Å; S14-D16 PolarHBondContact O-N 2.81Å
15D50.9Low62.7Low167 Ų167119.5 Ų119.589%0.89367%0.671SS**THydrogen-bonded Turntrans-68.723.9-174.3-73.1-51.1000115.6
16D56.1Low64.2Low152 Ų152111 Ų11181%0.81365%0.646SS**THydrogen-bonded Turntrans-122.211.8-178.4-66.6-58.1000113.9S14S14-D16 PolarHBondContact O-N 2.81Å
17E57.5Low65.8Low128 Ų128105.8 Ų105.860%0.59861%0.614SS**SBendtrans-75.4122.8173.2-91.8-91.1122.900110A19E17-A19 PolarHBondContact O-N 2.67Å
18P64.1Low67.6Low79 Ų79108.1 Ų108.151%0.51361%0.609SS.*  trans-56.5135178.424.3-33.1000109.6V20P18-V20 PolarHBondContact O-N 2.9Å
19A77.7Confident69.8Low89 Ų8997.9 Ų97.974%0.73657%0.571SS**  trans-54.1113.9-177.200000110.4E17 R21 N55E17-A19 PolarHBondContact O-N 2.67Å; A19-R21 PolarHBondContact O-N 3.41Å; A19-N55 PolarHBondContact O-ND2 2.75Å
20V83.2Confident72.1Confident59 Ų5992.5 Ų92.536%0.35853%0.534SS..PPolyproline II helixtrans-59.5124.2-177.1178.80000110.1P18 K22 N57P18-V20 PolarHBondContact O-N 2.9Å; V20-K22 PolarHBondContact O-N 2.76Å; V20-N57 HydrophobicContact CG1-CB 4.21Å
21R87.1Confident74.4Confident77 Ų7789.4 Ų89.429%0.29151%0.508SS..PPolyproline II helixtrans-68.5127.2-177-160.3-17878.181.7-25.6111.4A19 P24 E29 N55 R56A19-R21 PolarHBondContact O-N 3.41Å; R21-P24 PolarHBondContact NH1-O 3.23Å; R21-P24 PolarHBondContact NH2-O 3.38Å; R21-E29 IonicContact CZ-OE1 2.78Å; R21-E29 VanDerWaalsContact CZ-OE1 3.23Å; R21-E29 IonicContact CZ-OE2 3.41Å; R21-E29 IonicContact NE-OE1 3.39Å; R21-E29 PolarHBondContact NE-OE1 3.24Å; R21-E29 IonicContact NE-OE2 2.69Å; R21-E29 IonicContact NH2-OE1 3Å; R21-E29 PolarHBondContact NH2-OE1 3.19Å; R21-E29 IonicContact NH2-OE2 2.6Å; R21-E29 PolarHBondContact NH2-OE2 3.47Å; R21-N55 VanDerWaalsContact CB-O 3.24Å; R21-N55 WeakPolarHBondContact CB-O 3.34Å; R21-N55 PolarHBondContact N-O 2.9Å; R21-R56 VanDerWaalsContact CZ-CZ 3.49Å; R21-R56 WeakPolarHBondContact O-CD 3.24Å; R21-R56 PolarHBondContact O-NH1 2.93Å
22K85.1Confident77Confident186 Ų18689 Ų8981%0.80949%0.49SS*.PPolyproline II helixtrans-103.8159.3172.7-62.3177.2-175.31740110V20V20-K22 PolarHBondContact O-N 2.76Å
23G88.4Confident79.4Confident37 Ų3777.4 Ų77.438%0.38145%0.446SS..SBendtrans103-171178.900000114.5R56G23-R56 PolarHBondContact O-NH1 3.3Å; G23-R56 PolarHBondContact O-NH2 3.17Å
24P89.1Confident82Confident101 Ų10176.1 Ų76.166%0.65642%0.424SS*.SBendtrans-61.7145.5-170.425.9-34.5000111.7R21 R56R21-P24 PolarHBondContact NH1-O 3.23Å; R21-P24 PolarHBondContact NH2-O 3.38Å; P24-R56 PolarHBondContact O-NH2 2.95Å
25W92.3Very high84.2Confident29 Ų2974.8 Ų74.811%0.1141%0.414CS..PPolyproline II helixtrans-71.9128.8175.1-80.278.7000110.1E29 L33 L54 R56 S60 C61 R64W25-E29 WeakPolarHBondContact CA-OE2 3.23Å; W25-E29 HydrophobicContact CE3-CB 3.56Å; W25-E29 HydrophobicContact CZ3-CB 3.79Å; W25-L33 HydrophobicContact CH2-CD2 3.79Å; W25-L33 HydrophobicContact CZ3-CB 4.42Å; W25-L33 HydrophobicContact CZ3-CD2 3.81Å; W25-L54 HydrophobicContact CZ3-CD2 4.39Å; W25-R56 HydrophobicContact CH2-CB 4.22Å; W25-R56 HydrophobicContact CH2-CG 3.92Å; W25-R56 HydrophobicContact CZ2-CB 4.35Å; W25-R56 HydrophobicContact CZ2-CG 4.06Å; W25-R56 HydrophobicContact CZ3-CG 4.42Å; W25-S60 WeakPolarHBondContact CZ2-O 3.34Å; W25-S60 VanDerWaalsContact CZ2-OG 3.24Å; W25-S60 WeakPolarHBondContact CZ2-OG 3.5Å; W25-S60 PolarHBondContact NE1-OG 3.41Å; W25-S60 VanDerWaalsContact NE1-OG 3.17Å; W25-C61 HydrophobicContact CH2-CB 4.37Å; W25-R64 HydrophobicContact CD2-CB 3.96Å; W25-R64 HydrophobicContact CD2-CG 3.52Å; W25-R64 HydrophobicContact CE3-CB 4.43Å; W25-R64 HydrophobicContact CE3-CG 3.82Å; W25-R64 HydrophobicContact CG-CB 4.44Å; W25-R64 HydrophobicContact CG-CG 3.85Å; W25-R64 HydrophobicContact CH2-CB 4.21Å; W25-R64 HydrophobicContact CH2-CG 4.41Å; W25-R64 HydrophobicContact CZ2-CB 3.67Å; W25-R64 HydrophobicContact CZ2-CG 4.13Å; W25-R64 HydrophobicContact CZ3-CG 4.26Å
26T91.4Very high86.3Confident64 Ų6469.1 Ų69.139%0.39338%0.381SS..PPolyproline II helixtrans-81.7159.7171.759.70000109.5E28 E29 D30T26-E28 VanDerWaalsContact C-N 3.26Å; T26-E28 PolarHBondContact O-N 2.93Å; T26-E29 PolarHBondContact N-OE2 3.41Å; T26-E29 VanDerWaalsContact N-OE2 3.11Å; T26-E29 PolarHBondContact O-N 3Å; T26-E29 VanDerWaalsContact OG1-CG 3.31Å; T26-E29 WeakPolarHBondContact OG1-CG 3.41Å; T26-E29 PolarHBondContact OG1-N 2.97Å; T26-D30 PolarHBondContact O-N 3.41Å; T26-D30 VanDerWaalsContact O-N 3.12Å
27L89.7Confident88.2Confident19 Ų1962.3 Ų62.310%0.09934%0.344CS..Hα-helixtrans-62.4-39.1174.2-17971.4000111.1E29 D30 L31 Y161 Q164 M168L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 3.06Å; L27-D30 WeakPolarHBondContact O-CB 3.14Å; L27-D30 PolarHBondContact O-N 3.43Å; L27-L31 HydrophobicContact CD1-CG 4.38Å; L27-L31 HydrophobicContact CD2-CD1 4.35Å; L27-L31 HydrophobicContact CG-CD1 4.02Å; L27-L31 HydrophobicContact CG-CG 4.17Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 3.11Å; L27-Y161 HydrophobicContact CB-CD2 4.19Å; L27-Y161 HydrophobicContact CB-CE2 4.32Å; L27-Y161 HydrophobicContact CD1-CD2 3.53Å; L27-Y161 HydrophobicContact CD1-CE2 3.24Å; L27-Y161 HydrophobicContact CD1-CG 4.34Å; L27-Y161 HydrophobicContact CG-CD2 4.36Å; L27-Y161 HydrophobicContact CG-CE2 4.33Å; L27-Q164 HydrophobicContact CD2-CB 3.51Å; L27-Q164 HydrophobicContact CD2-CG 3.25Å; L27-M168 HydrophobicContact CD2-CE 4.25Å; L27-M168 HydrophobicContact CD2-SD 4.11Å
28E92.5Very high89.9Confident143 Ų14360.4 Ų60.467%0.66835%0.345SS*.Hα-helixtrans-54.8-47.1177.2-174.3177.1-176.800112.1T26 D30 L31 I32T26-E28 VanDerWaalsContact C-N 3.26Å; T26-E28 PolarHBondContact O-N 2.93Å; E28-D30 VanDerWaalsContact C-N 3.34Å; E28-D30 PolarHBondContact O-N 3.43Å; E28-L31 PolarHBondContact O-N 3.18Å; E28-I32 HydrophobicContact CG-CD1 4.22Å; E28-I32 WeakPolarHBondContact O-CG1 3.5Å; E28-I32 PolarHBondContact O-N 3.45Å
29E94Very high91.3Very high16 Ų1663 Ų638%0.07535%0.35CS..Hα-helixtrans-63-40.3174.9-72.1177147.400112.7R21 W25 T26 L27 L31 I32 L33 L54 R56R21-E29 IonicContact CZ-OE1 2.78Å; R21-E29 VanDerWaalsContact CZ-OE1 3.23Å; R21-E29 IonicContact CZ-OE2 3.41Å; R21-E29 IonicContact NE-OE1 3.39Å; R21-E29 PolarHBondContact NE-OE1 3.24Å; R21-E29 IonicContact NE-OE2 2.69Å; R21-E29 IonicContact NH2-OE1 3Å; R21-E29 PolarHBondContact NH2-OE1 3.19Å; R21-E29 IonicContact NH2-OE2 2.6Å; R21-E29 PolarHBondContact NH2-OE2 3.47Å; W25-E29 WeakPolarHBondContact CA-OE2 3.23Å; W25-E29 HydrophobicContact CE3-CB 3.56Å; W25-E29 HydrophobicContact CZ3-CB 3.79Å; T26-E29 PolarHBondContact N-OE2 3.41Å; T26-E29 VanDerWaalsContact N-OE2 3.11Å; T26-E29 PolarHBondContact O-N 3Å; T26-E29 VanDerWaalsContact OG1-CG 3.31Å; T26-E29 WeakPolarHBondContact OG1-CG 3.41Å; T26-E29 PolarHBondContact OG1-N 2.97Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 3.06Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.28Å; E29-I32 PolarHBondContact O-N 3.31Å; E29-L33 WeakPolarHBondContact O-CB 3.09Å; E29-L33 PolarHBondContact O-N 2.96Å; E29-L54 HydrophobicContact CB-CD2 3.82Å; E29-L54 HydrophobicContact CG-CD2 3.93Å; E29-R56 IonicContact OE1-CZ 2.82Å; E29-R56 IonicContact OE1-NE 3.69Å; E29-R56 PolarHBondContact OE1-NE 3.19Å; E29-R56 IonicContact OE1-NH2 3.4Å; E29-R56 IonicContact OE2-CZ 2.88Å; E29-R56 IonicContact OE2-NE 3.81Å; E29-R56 PolarHBondContact OE2-NE 3.05Å; E29-R56 IonicContact OE2-NH2 2.88Å; E29-R56 PolarHBondContact OE2-NH2 3.46Å
30D95.2Very high92.1Very high2 Ų264.6 Ų64.61%0.01134%0.343CS..Hα-helixtrans-61.4-39.8177-77.4-12.3000111.3T26 L27 E28 L33 V34 R64 L69 Y161T26-D30 PolarHBondContact O-N 3.41Å; T26-D30 VanDerWaalsContact O-N 3.12Å; L27-D30 WeakPolarHBondContact O-CB 3.14Å; L27-D30 PolarHBondContact O-N 3.43Å; E28-D30 VanDerWaalsContact C-N 3.34Å; E28-D30 PolarHBondContact O-N 3.43Å; D30-L33 PolarHBondContact O-N 3.43Å; D30-V34 WeakPolarHBondContact O-CB 3.45Å; D30-V34 WeakPolarHBondContact O-CG2 3.43Å; D30-V34 PolarHBondContact O-N 2.91Å; D30-R64 IonicContact OD1-CZ 3.56Å; D30-R64 IonicContact OD1-NE 3.6Å; D30-R64 PolarHBondContact OD1-NE 3.32Å; D30-R64 IonicContact OD1-NH2 3.39Å; D30-R64 PolarHBondContact OD1-NH2 2.88Å; D30-R64 IonicContact OD2-CZ 2.9Å; D30-R64 IonicContact OD2-NE 3.56Å; D30-R64 PolarHBondContact OD2-NE 3.35Å; D30-R64 IonicContact OD2-NH2 3.95Å; D30-R64 PolarHBondContact OD2-NH2 2.86Å; D30-L69 HydrophobicContact CB-CD1 3.91Å; D30-L69 HydrophobicContact CB-CD2 3.86Å; D30-Y161 WeakPolarHBondContact OD2-CE2 3.45Å; D30-Y161 PolarHBondContact OD2-OH 3.21Å
31L94Very high92.6Very high61 Ų6163.5 Ų63.532%0.31934%0.343SS..Hα-helixtrans-68.5-43.5179.2-65.5163.7000111.8L27 E28 E29 L33 V34 S35 M168L27-L31 HydrophobicContact CD1-CG 4.38Å; L27-L31 HydrophobicContact CD2-CD1 4.35Å; L27-L31 HydrophobicContact CG-CD1 4.02Å; L27-L31 HydrophobicContact CG-CG 4.17Å; L27-L31 VanDerWaalsContact O-CG 3.28Å; L27-L31 WeakPolarHBondContact O-CG 3.23Å; L27-L31 PolarHBondContact O-N 3.11Å; E28-L31 PolarHBondContact O-N 3.18Å; E29-L31 VanDerWaalsContact C-N 3.29Å; E29-L31 PolarHBondContact O-N 3.28Å; L31-L33 VanDerWaalsContact C-N 3.28Å; L31-L33 PolarHBondContact O-N 3.23Å; L31-V34 PolarHBondContact O-N 2.8Å; L31-S35 WeakPolarHBondContact O-CB 3.39Å; L31-S35 PolarHBondContact O-N 3.2Å; L31-M168 HydrophobicContact CD1-CE 3.36Å; L31-M168 HydrophobicContact CD1-SD 3.19Å; L31-M168 WeakPolarHBondContact CD1-SD 3.49Å; L31-M168 HydrophobicContact CD2-SD 3.55Å; L31-M168 VanDerWaalsContact CD2-SD 3.55Å; L31-M168 HydrophobicContact CG-SD 3.95Å
32I95.3Very high92.9Very high58 Ų5864.2 Ų64.230%0.29735%0.35SS..Hα-helixtrans-58.1-46.8174.3-67.6162.5000109.4E28 E29 S35 Y36 A52 L54E28-I32 HydrophobicContact CG-CD1 4.22Å; E28-I32 WeakPolarHBondContact O-CG1 3.5Å; E28-I32 PolarHBondContact O-N 3.45Å; E29-I32 PolarHBondContact O-N 3.31Å; I32-S35 PolarHBondContact O-N 3.24Å; I32-Y36 WeakPolarHBondContact O-CB 3.28Å; I32-Y36 PolarHBondContact O-N 2.89Å; I32-A52 HydrophobicContact CG2-CB 3.95Å; I32-A52 WeakPolarHBondContact CG2-O 3.27Å; I32-L54 HydrophobicContact CB-CD2 4.06Å; I32-L54 HydrophobicContact CB-CG 4.35Å; I32-L54 HydrophobicContact CD1-CD2 4.4Å; I32-L54 HydrophobicContact CG2-CD1 4.14Å; I32-L54 HydrophobicContact CG2-CD2 3.92Å; I32-L54 HydrophobicContact CG2-CG 3.67Å
33L94.6Very high93.1Very high0 Ų056.8 Ų56.80%033%0.326CS..Hα-helixtrans-62.1-47179.3-177.754.6000112.1W25 E29 D30 L31 I37 L48 L54 C61 R64 L69W25-L33 HydrophobicContact CH2-CD2 3.79Å; W25-L33 HydrophobicContact CZ3-CB 4.42Å; W25-L33 HydrophobicContact CZ3-CD2 3.81Å; E29-L33 WeakPolarHBondContact O-CB 3.09Å; E29-L33 PolarHBondContact O-N 2.96Å; D30-L33 PolarHBondContact O-N 3.43Å; L31-L33 VanDerWaalsContact C-N 3.28Å; L31-L33 PolarHBondContact O-N 3.23Å; L33-I37 HydrophobicContact CD1-CD1 3.63Å; L33-I37 HydrophobicContact CD1-CG1 4.32Å; L33-I37 HydrophobicContact CG-CD1 4Å; L33-I37 WeakPolarHBondContact O-CB 3.47Å; L33-I37 WeakPolarHBondContact O-CD1 3.5Å; L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.47Å; L33-I37 PolarHBondContact O-N 3.23Å; L33-I37 VanDerWaalsContact O-N 3.1Å; L33-L48 HydrophobicContact CD1-CD2 3.51Å; L33-L54 HydrophobicContact CB-CD1 3.94Å; L33-L54 HydrophobicContact CD1-CD1 4.11Å; L33-C61 HydrophobicContact CD1-CB 4.04Å; L33-C61 HydrophobicContact CD2-CB 4.38Å; L33-R64 HydrophobicContact CD2-CB 4.15Å; L33-R64 HydrophobicContact CD2-CG 4.17Å; L33-L69 HydrophobicContact CB-CD1 4.26Å; L33-L69 HydrophobicContact CD2-CD1 3.7Å; L33-L69 HydrophobicContact CG-CD1 4.12Å
34V95Very high93.3Very high45 Ų4559.3 Ų59.327%0.27334%0.337SS..Hα-helixtrans-63.9-48.5178.4171.30000110.8D30 L31 Y36 I37 S38 W65 L69D30-V34 WeakPolarHBondContact O-CB 3.45Å; D30-V34 WeakPolarHBondContact O-CG2 3.43Å; D30-V34 PolarHBondContact O-N 2.91Å; L31-V34 PolarHBondContact O-N 2.8Å; V34-Y36 VanDerWaalsContact C-N 3.35Å; V34-Y36 PolarHBondContact O-N 3.05Å; V34-I37 PolarHBondContact O-N 3.19Å; V34-S38 WeakPolarHBondContact O-CB 3.31Å; V34-S38 PolarHBondContact O-N 3.42Å; V34-S38 PolarHBondContact O-OG 3.48Å; V34-W65 HydrophobicContact CB-CZ3 4.38Å; V34-W65 HydrophobicContact CG2-CZ3 3.89Å; V34-L69 HydrophobicContact CG2-CB 4.06Å; V34-L69 HydrophobicContact CG2-CD1 4.03Å; V34-L69 HydrophobicContact CG2-CD2 4.48Å; V34-L69 HydrophobicContact CG2-CG 4.42Å
35S94.5Very high93.6Very high58 Ų5856.6 Ų56.641%0.40631%0.314SS..Hα-helixtrans-59.5-46-178.9-177.40000111.5L31 I32 S38 Q39L31-S35 WeakPolarHBondContact O-CB 3.39Å; L31-S35 PolarHBondContact O-N 3.2Å; I32-S35 PolarHBondContact O-N 3.24Å; S35-S38 PolarHBondContact O-N 3.3Å; S35-Q39 WeakPolarHBondContact O-CG 3.34Å; S35-Q39 PolarHBondContact O-N 3.13Å; S35-Q39 VanDerWaalsContact O-N 3.17Å; S35-Q39 PolarHBondContact O-NE2 3.33Å; S35-Q39 PolarHBondContact OG-NE2 3.26Å
36Y95.8Very high93.6Very high48 Ų4860.3 Ų60.319%0.18834%0.336CS..Hα-helixtrans-62.4-46.2178.3-173.1-80000111.7I32 V34 S38 Q39 H40 L48 A51 A52I32-Y36 WeakPolarHBondContact O-CB 3.28Å; I32-Y36 PolarHBondContact O-N 2.89Å; V34-Y36 VanDerWaalsContact C-N 3.35Å; V34-Y36 PolarHBondContact O-N 3.05Å; Y36-S38 VanDerWaalsContact C-N 3.34Å; Y36-S38 PolarHBondContact O-N 2.89Å; Y36-Q39 PolarHBondContact O-N 2.97Å; Y36-H40 HydrophobicContact CD1-CB 4.24Å; Y36-H40 AromaticContact CD1-CD2 3.96Å; Y36-H40 AromaticContact CD2-CD2 3.59Å; Y36-H40 HydrophobicContact CE1-CB 3.78Å; Y36-H40 AromaticContact CE1-CD2 3.81Å; Y36-H40 AromaticContact CE2-CD2 3.45Å; Y36-H40 VanDerWaalsContact CE2-CD2 3.45Å; Y36-H40 WeakPolarHBondContact CE2-CD2 3.27Å; Y36-H40 AromaticContact CE2-NE2 3.91Å; Y36-H40 AromaticContact CG-CD2 3.85Å; Y36-H40 AromaticContact CZ-CD2 3.56Å; Y36-H40 AromaticContact CZ-CG 3.93Å; Y36-H40 WeakPolarHBondContact O-CB 3.47Å; Y36-H40 PolarHBondContact O-CD2 3.27Å; Y36-H40 PolarHBondContact O-N 2.95Å; Y36-L48 HydrophobicContact CD1-CD1 4.02Å; Y36-L48 HydrophobicContact CD1-CD2 4.3Å; Y36-L48 HydrophobicContact CD1-CG 3.56Å; Y36-L48 HydrophobicContact CE1-CB 4.07Å; Y36-L48 HydrophobicContact CE1-CD1 4.13Å; Y36-L48 HydrophobicContact CE1-CG 3.58Å; Y36-A51 HydrophobicContact CE2-CB 3.58Å; Y36-A51 WeakPolarHBondContact OH-CB 3.45Å; Y36-A52 HydrophobicContact CD1-CB 4.48Å; Y36-A52 HydrophobicContact CD2-CB 3.54Å; Y36-A52 HydrophobicContact CE2-CB 4.22Å; Y36-A52 HydrophobicContact CG-CB 3.68Å
37I95.9Very high93.7Very high9 Ų961.4 Ų61.45%0.04634%0.339CS..Hα-helixtrans-65-38.7179.6-71.7168.3000111.6L33 V34 Q39 G41 E42 W45 L48 W65L33-I37 HydrophobicContact CD1-CD1 3.63Å; L33-I37 HydrophobicContact CD1-CG1 4.32Å; L33-I37 HydrophobicContact CG-CD1 4Å; L33-I37 WeakPolarHBondContact O-CB 3.47Å; L33-I37 WeakPolarHBondContact O-CD1 3.5Å; L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.47Å; L33-I37 PolarHBondContact O-N 3.23Å; L33-I37 VanDerWaalsContact O-N 3.1Å; V34-I37 PolarHBondContact O-N 3.19Å; I37-Q39 PolarHBondContact O-N 2.96Å; I37-G41 WeakPolarHBondContact O-CA 3.43Å; I37-G41 PolarHBondContact O-N 3.44Å; I37-E42 HydrophobicContact CG2-CG 3.69Å; I37-W45 HydrophobicContact CD1-CH2 4.16Å; I37-W45 HydrophobicContact CD1-CZ3 3.89Å; I37-L48 HydrophobicContact CD1-CD1 4.26Å; I37-L48 HydrophobicContact CG1-CD1 3.74Å; I37-W65 HydrophobicContact CB-CH2 4.2Å; I37-W65 HydrophobicContact CB-CZ2 4.49Å; I37-W65 HydrophobicContact CB-CZ3 4.28Å; I37-W65 HydrophobicContact CD1-CB 4.27Å; I37-W65 HydrophobicContact CD1-CD2 3.43Å; I37-W65 VanDerWaalsContact CD1-CD2 3.43Å; I37-W65 HydrophobicContact CD1-CE3 3.38Å; I37-W65 HydrophobicContact CD1-CG 3.82Å; I37-W65 HydrophobicContact CD1-CH2 4.35Å; I37-W65 HydrophobicContact CD1-CZ2 4.4Å; I37-W65 HydrophobicContact CD1-CZ3 3.87Å; I37-W65 HydrophobicContact CG2-CH2 3.66Å; I37-W65 HydrophobicContact CG2-CZ2 3.56Å; I37-W65 HydrophobicContact CG2-CZ3 4.19Å
38S93.3Very high93.9Very high89 Ų8960.6 Ų60.662%0.62234%0.336SS*.Hα-helixtrans-62.6-32.2176.4-64.50000112.5V34 S35 Y36V34-S38 WeakPolarHBondContact O-CB 3.31Å; V34-S38 PolarHBondContact O-N 3.42Å; V34-S38 PolarHBondContact O-OG 3.48Å; S35-S38 PolarHBondContact O-N 3.3Å; Y36-S38 VanDerWaalsContact C-N 3.34Å; Y36-S38 PolarHBondContact O-N 2.89Å
39Q93.8Very high94Very high133 Ų13353.9 Ų53.962%0.62130%0.304SS*.Hα-helixtrans-87.5-36.6-179-68.7176.459.500113.5S35 Y36 I37S35-Q39 WeakPolarHBondContact O-CG 3.34Å; S35-Q39 PolarHBondContact O-N 3.13Å; S35-Q39 VanDerWaalsContact O-N 3.17Å; S35-Q39 PolarHBondContact O-NE2 3.33Å; S35-Q39 PolarHBondContact OG-NE2 3.26Å; Y36-Q39 PolarHBondContact O-N 2.97Å; I37-Q39 PolarHBondContact O-N 2.96Å
40H94.5Very high94Very high123 Ų12360.9 Ų60.957%0.56933%0.33SS*.Hα-helixtrans-116.2-6.5-170-59-68.5000114.5Y36Y36-H40 HydrophobicContact CD1-CB 4.24Å; Y36-H40 AromaticContact CD1-CD2 3.96Å; Y36-H40 AromaticContact CD2-CD2 3.59Å; Y36-H40 HydrophobicContact CE1-CB 3.78Å; Y36-H40 AromaticContact CE1-CD2 3.81Å; Y36-H40 AromaticContact CE2-CD2 3.45Å; Y36-H40 VanDerWaalsContact CE2-CD2 3.45Å; Y36-H40 WeakPolarHBondContact CE2-CD2 3.27Å; Y36-H40 AromaticContact CE2-NE2 3.91Å; Y36-H40 AromaticContact CG-CD2 3.85Å; Y36-H40 AromaticContact CZ-CD2 3.56Å; Y36-H40 AromaticContact CZ-CG 3.93Å; Y36-H40 WeakPolarHBondContact O-CB 3.47Å; Y36-H40 PolarHBondContact O-CD2 3.27Å; Y36-H40 PolarHBondContact O-N 2.95Å
41G93.2Very high93.9Very high36 Ų3663.9 Ų63.937%0.37136%0.355SS..  trans83.3174.3-174.500000114.2I37I37-G41 WeakPolarHBondContact O-CA 3.43Å; I37-G41 PolarHBondContact O-N 3.44Å
42E92.8Very high93.9Very high92 Ų9261.8 Ų61.843%0.4335%0.347SS..SBendtrans-84141.2174.3-58.4-177.6-160.200110.6I37 W45 W65 R70I37-E42 HydrophobicContact CG2-CG 3.69Å; E42-W45 HydrophobicContact CB-CZ2 4.43Å; E42-W65 HydrophobicContact CG-CZ2 4.37Å; E42-W65 PolarHBondContact OE1-NE1 3.23Å; E42-W65 PolarHBondContact OE2-NE1 3.4Å; E42-R70 IonicContact OE1-NE 2.73Å; E42-R70 PolarHBondContact OE1-NE 3.05Å; E42-R70 IonicContact OE2-NE 3.86Å
43G90.4Very high93.7Very high29 Ų2962 Ų6230%0.29936%0.364SS..  trans140.5175.6172.800000113.2W45G43-W45 PolarHBondContact O-N 3.15Å; G43-W45 VanDerWaalsContact O-N 3.08Å
44S92.7Very high93.6Very high90 Ų9062.7 Ų62.763%0.62937%0.367SS*.  trans42.450.6176.8-61.50000113D46 N47 L48S44-D46 PolarHBondContact O-N 3.4Å; S44-N47 CarbonylContact O-C 3.6Å; S44-N47 WeakPolarHBondContact O-CA 3.38Å; S44-N47 WeakPolarHBondContact O-CB 3.46Å; S44-N47 PolarHBondContact O-N 3.49Å; S44-L48 PolarHBondContact O-N 3.01Å
45W95.2Very high93.5Very high44 Ų4463.7 Ų63.717%0.16737%0.371CS..Hα-helixtrans-54-32.5-162.7-63.797.6000115.1I37 E42 G43 L48 A49 G58 C61 R62 W65I37-W45 HydrophobicContact CD1-CH2 4.16Å; I37-W45 HydrophobicContact CD1-CZ3 3.89Å; E42-W45 HydrophobicContact CB-CZ2 4.43Å; G43-W45 PolarHBondContact O-N 3.15Å; G43-W45 VanDerWaalsContact O-N 3.08Å; W45-L48 HydrophobicContact CE3-CD1 4Å; W45-L48 HydrophobicContact CE3-CD2 4.4Å; W45-L48 HydrophobicContact CZ3-CD1 4.06Å; W45-A49 WeakPolarHBondContact O-CB 3.47Å; W45-A49 PolarHBondContact O-N 3.13Å; W45-G58 VanDerWaalsContact C-CA 3.43Å; W45-G58 WeakPolarHBondContact CB-O 3.43Å; W45-G58 WeakPolarHBondContact O-CA 3.47Å; W45-C61 HydrophobicContact CE3-CB 4.08Å; W45-R62 HydrophobicContact CB-CB 4.37Å; W45-R62 HydrophobicContact CD2-CB 3.45Å; W45-R62 VanDerWaalsContact CD2-CB 3.45Å; W45-R62 HydrophobicContact CD2-CG 3.94Å; W45-R62 VanDerWaalsContact CE3-CA 3.45Å; W45-R62 HydrophobicContact CE3-CB 3.87Å; W45-R62 HydrophobicContact CG-CB 3.67Å; W45-R62 HydrophobicContact CG-CG 4.21Å; W45-R62 HydrophobicContact CZ2-CB 4.23Å; W45-R62 HydrophobicContact CZ2-CG 3.95Å; W45-R62 HydrophobicContact CZ3-CB 4.41Å; W45-W65 HydrophobicContact CH2-CB 3.71Å; W45-W65 AromaticContact CH2-CD1 3.51Å; W45-W65 AromaticContact CH2-CG 3.72Å; W45-W65 HydrophobicContact CH2-CG 3.72Å; W45-W65 HydrophobicContact CZ3-CB 3.87Å; W45-W65 HydrophobicContact CZ3-CG 4.24Å
46D92.7Very high93.4Very high108 Ų10861.6 Ų61.658%0.57835%0.354SS*.Hα-helixtrans-70.8-38.2175.9-61.6-40.8000112.2S44 R50 G58S44-D46 PolarHBondContact O-N 3.4Å; D46-R50 WeakPolarHBondContact O-CG 3.4Å; D46-R50 PolarHBondContact O-N 3.22Å; D46-G58 VanDerWaalsContact OD1-CA 3.27Å; D46-G58 WeakPolarHBondContact OD1-CA 3.35Å; D46-G58 PolarHBondContact OD1-N 2.84Å
47N93.1Very high93.3Very high86 Ų8663 Ų6346%0.4637%0.365SS..Hα-helixtrans-70.8-40.9172.1-68.9-18.6000111.1S44 A49 R50 A51S44-N47 CarbonylContact O-C 3.6Å; S44-N47 WeakPolarHBondContact O-CA 3.38Å; S44-N47 WeakPolarHBondContact O-CB 3.46Å; S44-N47 PolarHBondContact O-N 3.49Å; N47-A49 VanDerWaalsContact C-N 3.33Å; N47-A49 PolarHBondContact O-N 2.84Å; N47-R50 PolarHBondContact O-N 3.4Å; N47-R50 PolarHBondContact OD1-NH2 3.39Å; N47-A51 WeakPolarHBondContact O-CB 3.11Å; N47-A51 PolarHBondContact O-N 3.25Å
48L94.4Very high93.2Very high3 Ų362.7 Ų62.72%0.01636%0.363CS..Hα-helixtrans-56-48.3176.3179.6155.8000111.1L33 Y36 I37 S44 W45 R50 A51 A52 C61L33-L48 HydrophobicContact CD1-CD2 3.51Å; Y36-L48 HydrophobicContact CD1-CD1 4.02Å; Y36-L48 HydrophobicContact CD1-CD2 4.3Å; Y36-L48 HydrophobicContact CD1-CG 3.56Å; Y36-L48 HydrophobicContact CE1-CB 4.07Å; Y36-L48 HydrophobicContact CE1-CD1 4.13Å; Y36-L48 HydrophobicContact CE1-CG 3.58Å; I37-L48 HydrophobicContact CD1-CD1 4.26Å; I37-L48 HydrophobicContact CG1-CD1 3.74Å; S44-L48 PolarHBondContact O-N 3.01Å; W45-L48 HydrophobicContact CE3-CD1 4Å; W45-L48 HydrophobicContact CE3-CD2 4.4Å; W45-L48 HydrophobicContact CZ3-CD1 4.06Å; L48-R50 PolarHBondContact O-N 3.27Å; L48-A51 PolarHBondContact O-N 3.46Å; L48-A52 WeakPolarHBondContact O-CB 3.4Å; L48-A52 PolarHBondContact O-N 3.3Å; L48-C61 HydrophobicContact CD2-CB 4.3Å
49A94.1Very high93.2Very high2 Ų264.9 Ų64.92%0.01736%0.362CS..Hα-helixtrans-60.3-46.1-179.700000111.9W45 N47 G53 L54 R56W45-A49 WeakPolarHBondContact O-CB 3.47Å; W45-A49 PolarHBondContact O-N 3.13Å; N47-A49 VanDerWaalsContact C-N 3.33Å; N47-A49 PolarHBondContact O-N 2.84Å; A49-G53 PolarHBondContact O-N 3.33Å; A49-L54 PolarHBondContact O-N 3.02Å; A49-R56 VanDerWaalsContact CB-O 3.3Å; A49-R56 WeakPolarHBondContact CB-O 3.35Å
50R93Very high93.3Very high162 Ų16259.6 Ų59.661%0.61134%0.339SS*.Hα-helixtrans-65.3-47.3177.8-68.1-172.8-61.7160.22.3112.5D46 N47 L48 A52 G53D46-R50 WeakPolarHBondContact O-CG 3.4Å; D46-R50 PolarHBondContact O-N 3.22Å; N47-R50 PolarHBondContact O-N 3.4Å; N47-R50 PolarHBondContact OD1-NH2 3.39Å; L48-R50 PolarHBondContact O-N 3.27Å; R50-A52 VanDerWaalsContact C-N 3.33Å; R50-A52 PolarHBondContact O-N 3.43Å; R50-G53 PolarHBondContact O-N 3Å; R50-G53 VanDerWaalsContact O-N 3.09Å
51A93.5Very high93.3Very high65 Ų6553.7 Ų53.754%0.53731%0.312SS..Hα-helixtrans-69.2-31-177.600000112.7Y36 N47 L48 G53Y36-A51 HydrophobicContact CE2-CB 3.58Å; Y36-A51 WeakPolarHBondContact OH-CB 3.45Å; N47-A51 WeakPolarHBondContact O-CB 3.11Å; N47-A51 PolarHBondContact O-N 3.25Å; L48-A51 PolarHBondContact O-N 3.46Å; A51-G53 PolarHBondContact O-N 3.49Å
52A93.2Very high93.5Very high18 Ų1856.4 Ų56.415%0.14931%0.311CS..THydrogen-bonded Turntrans-74.2-8.7172.700000113.3I32 Y36 L48 R50 L54I32-A52 HydrophobicContact CG2-CB 3.95Å; I32-A52 WeakPolarHBondContact CG2-O 3.27Å; Y36-A52 HydrophobicContact CD1-CB 4.48Å; Y36-A52 HydrophobicContact CD2-CB 3.54Å; Y36-A52 HydrophobicContact CE2-CB 4.22Å; Y36-A52 HydrophobicContact CG-CB 3.68Å; L48-A52 WeakPolarHBondContact O-CB 3.4Å; L48-A52 PolarHBondContact O-N 3.3Å; R50-A52 VanDerWaalsContact C-N 3.33Å; R50-A52 PolarHBondContact O-N 3.43Å; A52-L54 HydrophobicContact CB-CD1 4.04Å; A52-L54 HydrophobicContact CB-CG 4.19Å; A52-L54 PolarHBondContact O-N 3.21Å
53G92.8Very high93.6Very high63 Ų6353.8 Ų53.865%0.64930%0.3SS*.THydrogen-bonded Turntrans70.219.9-173.300000113.4A49 R50 A51A49-G53 PolarHBondContact O-N 3.33Å; R50-G53 PolarHBondContact O-N 3Å; R50-G53 VanDerWaalsContact O-N 3.09Å; A51-G53 PolarHBondContact O-N 3.49Å
54L92.3Very high93.9Very high13 Ų1353.7 Ų53.77%0.06829%0.29CS..  trans-79.7126.3176.9-77.8163.9000109.8W25 E29 I32 L33 A49 A52 R56W25-L54 HydrophobicContact CZ3-CD2 4.39Å; E29-L54 HydrophobicContact CB-CD2 3.82Å; E29-L54 HydrophobicContact CG-CD2 3.93Å; I32-L54 HydrophobicContact CB-CD2 4.06Å; I32-L54 HydrophobicContact CB-CG 4.35Å; I32-L54 HydrophobicContact CD1-CD2 4.4Å; I32-L54 HydrophobicContact CG2-CD1 4.14Å; I32-L54 HydrophobicContact CG2-CD2 3.92Å; I32-L54 HydrophobicContact CG2-CG 3.67Å; L33-L54 HydrophobicContact CB-CD1 3.94Å; L33-L54 HydrophobicContact CD1-CD1 4.11Å; A49-L54 PolarHBondContact O-N 3.02Å; A52-L54 HydrophobicContact CB-CD1 4.04Å; A52-L54 HydrophobicContact CB-CG 4.19Å; A52-L54 PolarHBondContact O-N 3.21Å; L54-R56 HydrophobicContact CB-CB 4.39Å; L54-R56 PolarHBondContact O-N 2.8Å
55N92.5Very high94Very high66 Ų6649.9 Ų49.935%0.35326%0.262SS..SBendtrans-78.747.6172.4-157.535.3000111.9A19 R21A19-N55 PolarHBondContact O-ND2 2.75Å; R21-N55 VanDerWaalsContact CB-O 3.24Å; R21-N55 WeakPolarHBondContact CB-O 3.34Å; R21-N55 PolarHBondContact N-O 2.9Å
56R92.5Very high94Very high14 Ų1450.1 Ų50.15%0.05327%0.267CS..SBendtrans-131154.3-176.9-65.8-59.8-164.7143.521.4109.9R21 G23 P24 W25 E29 A49 L54R21-R56 VanDerWaalsContact CZ-CZ 3.49Å; R21-R56 WeakPolarHBondContact O-CD 3.24Å; R21-R56 PolarHBondContact O-NH1 2.93Å; G23-R56 PolarHBondContact O-NH1 3.3Å; G23-R56 PolarHBondContact O-NH2 3.17Å; P24-R56 PolarHBondContact O-NH2 2.95Å; W25-R56 HydrophobicContact CH2-CB 4.22Å; W25-R56 HydrophobicContact CH2-CG 3.92Å; W25-R56 HydrophobicContact CZ2-CB 4.35Å; W25-R56 HydrophobicContact CZ2-CG 4.06Å; W25-R56 HydrophobicContact CZ3-CG 4.42Å; E29-R56 IonicContact OE1-CZ 2.82Å; E29-R56 IonicContact OE1-NE 3.69Å; E29-R56 PolarHBondContact OE1-NE 3.19Å; E29-R56 IonicContact OE1-NH2 3.4Å; E29-R56 IonicContact OE2-CZ 2.88Å; E29-R56 IonicContact OE2-NE 3.81Å; E29-R56 PolarHBondContact OE2-NE 3.05Å; E29-R56 IonicContact OE2-NH2 2.88Å; E29-R56 PolarHBondContact OE2-NH2 3.46Å; A49-R56 VanDerWaalsContact CB-O 3.3Å; A49-R56 WeakPolarHBondContact CB-O 3.35Å; L54-R56 HydrophobicContact CB-CB 4.39Å; L54-R56 PolarHBondContact O-N 2.8Å
57N93.3Very high94Very high79 Ų7945.6 Ų45.642%0.42224%0.242SC..  trans-78.9155.8172.165.225.1000111.4V20 K59 S60 C61V20-N57 HydrophobicContact CG1-CB 4.21Å; N57-K59 PolarHBondContact O-N 2.96Å; N57-S60 WeakPolarHBondContact O-CB 3.41Å; N57-S60 PolarHBondContact O-N 3.32Å; N57-S60 WeakPolarHBondContact OD1-CA 3.41Å; N57-S60 WeakPolarHBondContact OD1-CB 3.22Å; N57-S60 PolarHBondContact OD1-N 3.28Å; N57-C61 PolarHBondContact O-N 2.94Å; N57-C61 VanDerWaalsContact O-N 3.1Å; N57-C61 PolarHBondContact O-SG 2.89Å
58G94.1Very high94Very high1 Ų144 Ų441%0.0123%0.231CC..Hα-helixtrans-60.5-35-179.100000113.1W45 D46 S60 C61 R62W45-G58 VanDerWaalsContact C-CA 3.43Å; W45-G58 WeakPolarHBondContact CB-O 3.43Å; W45-G58 WeakPolarHBondContact O-CA 3.47Å; D46-G58 VanDerWaalsContact OD1-CA 3.27Å; D46-G58 WeakPolarHBondContact OD1-CA 3.35Å; D46-G58 PolarHBondContact OD1-N 2.84Å; G58-S60 VanDerWaalsContact C-N 3.33Å; G58-S60 PolarHBondContact O-N 3.44Å; G58-C61 PolarHBondContact O-N 3.16Å; G58-R62 WeakPolarHBondContact O-CB 3.29Å; G58-R62 PolarHBondContact O-N 3.16Å
59K93.8Very high94Very high136 Ų13644.5 Ų44.559%0.59123%0.233SC*.Hα-helixtrans-57.6-43.8173.7-174.8176.3-179.9177.90112.4N57 L63N57-K59 PolarHBondContact O-N 2.96Å; K59-L63 VanDerWaalsContact O-CB 3.27Å; K59-L63 WeakPolarHBondContact O-CB 3.28Å; K59-L63 PolarHBondContact O-N 2.91Å
60S94.7Very high93.9Very high21 Ų2148 Ų4815%0.14725%0.246CC..Hα-helixtrans-65.7-45.4177.7-173.40000110.1W25 N57 G58 R62 L63 R64W25-S60 WeakPolarHBondContact CZ2-O 3.34Å; W25-S60 VanDerWaalsContact CZ2-OG 3.24Å; W25-S60 WeakPolarHBondContact CZ2-OG 3.5Å; W25-S60 PolarHBondContact NE1-OG 3.41Å; W25-S60 VanDerWaalsContact NE1-OG 3.17Å; N57-S60 WeakPolarHBondContact O-CB 3.41Å; N57-S60 PolarHBondContact O-N 3.32Å; N57-S60 WeakPolarHBondContact OD1-CA 3.41Å; N57-S60 WeakPolarHBondContact OD1-CB 3.22Å; N57-S60 PolarHBondContact OD1-N 3.28Å; G58-S60 VanDerWaalsContact C-N 3.33Å; G58-S60 PolarHBondContact O-N 3.44Å; S60-R62 PolarHBondContact O-N 3.1Å; S60-L63 PolarHBondContact O-N 3.13Å; S60-R64 WeakPolarHBondContact O-CB 3.2Å; S60-R64 PolarHBondContact O-N 3.47Å
61C95.9Very high93.7Very high0 Ų042.6 Ų42.60%023%0.232CC..Hα-helixtrans-58.3-49.2176.9-61.50000111.4W25 L33 W45 L48 N57 G58 L63 R64 W65W25-C61 HydrophobicContact CH2-CB 4.37Å; L33-C61 HydrophobicContact CD1-CB 4.04Å; L33-C61 HydrophobicContact CD2-CB 4.38Å; W45-C61 HydrophobicContact CE3-CB 4.08Å; L48-C61 HydrophobicContact CD2-CB 4.3Å; N57-C61 PolarHBondContact O-N 2.94Å; N57-C61 VanDerWaalsContact O-N 3.1Å; N57-C61 PolarHBondContact O-SG 2.89Å; G58-C61 PolarHBondContact O-N 3.16Å; C61-L63 VanDerWaalsContact C-N 3.34Å; C61-L63 PolarHBondContact O-N 2.92Å; C61-R64 PolarHBondContact O-N 3.32Å; C61-W65 WeakPolarHBondContact O-CB 3.44Å; C61-W65 PolarHBondContact O-N 3.32Å
62R96.6Very high93.5Very high92 Ų9242.2 Ų42.235%0.34723%0.234SC..Hα-helixtrans-55.8-49.4175.9-176.8175-179.4-107.80.8111.7W45 G58 S60 R64 W65 L66W45-R62 HydrophobicContact CB-CB 4.37Å; W45-R62 HydrophobicContact CD2-CB 3.45Å; W45-R62 VanDerWaalsContact CD2-CB 3.45Å; W45-R62 HydrophobicContact CD2-CG 3.94Å; W45-R62 VanDerWaalsContact CE3-CA 3.45Å; W45-R62 HydrophobicContact CE3-CB 3.87Å; W45-R62 HydrophobicContact CG-CB 3.67Å; W45-R62 HydrophobicContact CG-CG 4.21Å; W45-R62 HydrophobicContact CZ2-CB 4.23Å; W45-R62 HydrophobicContact CZ2-CG 3.95Å; W45-R62 HydrophobicContact CZ3-CB 4.41Å; G58-R62 WeakPolarHBondContact O-CB 3.29Å; G58-R62 PolarHBondContact O-N 3.16Å; S60-R62 PolarHBondContact O-N 3.1Å; R62-R64 VanDerWaalsContact C-N 3.34Å; R62-R64 PolarHBondContact O-N 3.5Å; R62-W65 PolarHBondContact O-N 2.82Å; R62-L66 HydrophobicContact CG-CD1 3.71Å; R62-L66 HydrophobicContact CG-CG 4.26Å; R62-L66 WeakPolarHBondContact O-CB 3.26Å; R62-L66 WeakPolarHBondContact O-CG 3.24Å; R62-L66 PolarHBondContact O-N 3.24Å
63L94.5Very high93.4Very high37 Ų3742.5 Ų42.519%0.19423%0.233CC..Hα-helixtrans-65.9-40.1-175.4-169.868.1000111.2K59 S60 C61 N67 W149 W257K59-L63 VanDerWaalsContact O-CB 3.27Å; K59-L63 WeakPolarHBondContact O-CB 3.28Å; K59-L63 PolarHBondContact O-N 2.91Å; S60-L63 PolarHBondContact O-N 3.13Å; C61-L63 VanDerWaalsContact C-N 3.34Å; C61-L63 PolarHBondContact O-N 2.92Å; L63-N67 VanDerWaalsContact CD1-ND2 3.26Å; L63-N67 WeakPolarHBondContact CD1-ND2 3.44Å; L63-N67 WeakPolarHBondContact O-CB 3.17Å; L63-N67 PolarHBondContact O-N 3.24Å; L63-N67 PolarHBondContact O-ND2 2.8Å; L63-W149 HydrophobicContact CB-CH2 4.26Å; L63-W149 HydrophobicContact CD1-CH2 4.48Å; L63-W149 HydrophobicContact CD1-CZ2 4.08Å; L63-W149 HydrophobicContact CD2-CD2 3.95Å; L63-W149 VanDerWaalsContact CD2-CE2 3.49Å; L63-W149 HydrophobicContact CD2-CE3 4Å; L63-W149 HydrophobicContact CD2-CH2 3.26Å; L63-W149 HydrophobicContact CD2-CZ2 3.16Å; L63-W149 HydrophobicContact CD2-CZ3 3.67Å; L63-W149 HydrophobicContact CG-CH2 3.36Å; L63-W149 HydrophobicContact CG-CZ2 3.38Å; L63-W149 HydrophobicContact CG-CZ3 4.17Å; L63-W257 HydrophobicContact CD1-CZ2 4.4Å
64R95.9Very high93.2Very high27 Ų2745 Ų4510%0.10222%0.223CC..Hα-helixtrans-65.2-45.1175.6-175.861.8174.1178.2-3.7111.8W25 D30 L33 S60 C61 R62 Y68 L69W25-R64 HydrophobicContact CD2-CB 3.96Å; W25-R64 HydrophobicContact CD2-CG 3.52Å; W25-R64 HydrophobicContact CE3-CB 4.43Å; W25-R64 HydrophobicContact CE3-CG 3.82Å; W25-R64 HydrophobicContact CG-CB 4.44Å; W25-R64 HydrophobicContact CG-CG 3.85Å; W25-R64 HydrophobicContact CH2-CB 4.21Å; W25-R64 HydrophobicContact CH2-CG 4.41Å; W25-R64 HydrophobicContact CZ2-CB 3.67Å; W25-R64 HydrophobicContact CZ2-CG 4.13Å; W25-R64 HydrophobicContact CZ3-CG 4.26Å; D30-R64 IonicContact OD1-CZ 3.56Å; D30-R64 IonicContact OD1-NE 3.6Å; D30-R64 PolarHBondContact OD1-NE 3.32Å; D30-R64 IonicContact OD1-NH2 3.39Å; D30-R64 PolarHBondContact OD1-NH2 2.88Å; D30-R64 IonicContact OD2-CZ 2.9Å; D30-R64 IonicContact OD2-NE 3.56Å; D30-R64 PolarHBondContact OD2-NE 3.35Å; D30-R64 IonicContact OD2-NH2 3.95Å; D30-R64 PolarHBondContact OD2-NH2 2.86Å; L33-R64 HydrophobicContact CD2-CB 4.15Å; L33-R64 HydrophobicContact CD2-CG 4.17Å; S60-R64 WeakPolarHBondContact O-CB 3.2Å; S60-R64 PolarHBondContact O-N 3.47Å; C61-R64 PolarHBondContact O-N 3.32Å; R62-R64 VanDerWaalsContact C-N 3.34Å; R62-R64 PolarHBondContact O-N 3.5Å; R64-Y68 WeakPolarHBondContact O-CB 3.43Å; R64-Y68 PolarHBondContact O-N 3.45Å; R64-L69 HydrophobicContact CG-CD1 3.79Å; R64-L69 HydrophobicContact CG-CG 4.1Å; R64-L69 PolarHBondContact O-N 3.48Å; R64-L69 VanDerWaalsContact O-N 3.14Å
65W96Very high92.9Very high10 Ų1049.7 Ų49.74%0.03824%0.24CC..Iπ-helixtrans-60-60.5177-179-106.2000111.3V34 I37 E42 W45 C61 R62 N67 Y68 L69 R70V34-W65 HydrophobicContact CB-CZ3 4.38Å; V34-W65 HydrophobicContact CG2-CZ3 3.89Å; I37-W65 HydrophobicContact CB-CH2 4.2Å; I37-W65 HydrophobicContact CB-CZ2 4.49Å; I37-W65 HydrophobicContact CB-CZ3 4.28Å; I37-W65 HydrophobicContact CD1-CB 4.27Å; I37-W65 HydrophobicContact CD1-CD2 3.43Å; I37-W65 VanDerWaalsContact CD1-CD2 3.43Å; I37-W65 HydrophobicContact CD1-CE3 3.38Å; I37-W65 HydrophobicContact CD1-CG 3.82Å; I37-W65 HydrophobicContact CD1-CH2 4.35Å; I37-W65 HydrophobicContact CD1-CZ2 4.4Å; I37-W65 HydrophobicContact CD1-CZ3 3.87Å; I37-W65 HydrophobicContact CG2-CH2 3.66Å; I37-W65 HydrophobicContact CG2-CZ2 3.56Å; I37-W65 HydrophobicContact CG2-CZ3 4.19Å; E42-W65 HydrophobicContact CG-CZ2 4.37Å; E42-W65 PolarHBondContact OE1-NE1 3.23Å; E42-W65 PolarHBondContact OE2-NE1 3.4Å; W45-W65 HydrophobicContact CH2-CB 3.71Å; W45-W65 AromaticContact CH2-CD1 3.51Å; W45-W65 AromaticContact CH2-CG 3.72Å; W45-W65 HydrophobicContact CH2-CG 3.72Å; W45-W65 HydrophobicContact CZ3-CB 3.87Å; W45-W65 HydrophobicContact CZ3-CG 4.24Å; C61-W65 WeakPolarHBondContact O-CB 3.44Å; C61-W65 PolarHBondContact O-N 3.32Å; R62-W65 PolarHBondContact O-N 2.82Å; W65-N67 VanDerWaalsContact C-N 3.31Å; W65-N67 PolarHBondContact O-N 3.41Å; W65-Y68 PolarHBondContact O-N 3.43Å; W65-L69 HydrophobicContact CD2-CB 4.43Å; W65-L69 HydrophobicContact CE3-CB 3.57Å; W65-L69 HydrophobicContact CZ3-CB 3.98Å; W65-L69 PolarHBondContact O-N 3.23Å; W65-L69 VanDerWaalsContact O-N 3.1Å; W65-R70 HydrophobicContact CD2-CB 4.2Å; W65-R70 HydrophobicContact CG-CB 4.34Å; W65-R70 HydrophobicContact CZ2-CB 4.31Å; W65-R70 HydrophobicContact CZ2-CG 4.19Å; W65-R70 VanDerWaalsContact O-CB 3.22Å; W65-R70 WeakPolarHBondContact O-CB 3.18Å; W65-R70 PolarHBondContact O-N 3.21Å
66L94.2Very high92.7Very high49 Ų4949.2 Ų49.226%0.25725%0.251SS..Iπ-helixtrans-64.1-31.1-171.8-65.7178.8000114.1R62R62-L66 HydrophobicContact CG-CD1 3.71Å; R62-L66 HydrophobicContact CG-CG 4.26Å; R62-L66 WeakPolarHBondContact O-CB 3.26Å; R62-L66 WeakPolarHBondContact O-CG 3.24Å; R62-L66 PolarHBondContact O-N 3.24Å
67N94.2Very high92.6Very high13 Ų1353.3 Ų53.37%0.0728%0.282CS..Iπ-helixtrans-96.8-20.5-176.6-68.4-78.6000114.3L63 W65 N110L63-N67 VanDerWaalsContact CD1-ND2 3.26Å; L63-N67 WeakPolarHBondContact CD1-ND2 3.44Å; L63-N67 WeakPolarHBondContact O-CB 3.17Å; L63-N67 PolarHBondContact O-N 3.24Å; L63-N67 PolarHBondContact O-ND2 2.8Å; W65-N67 VanDerWaalsContact C-N 3.31Å; W65-N67 PolarHBondContact O-N 3.41Å; N67-N110 VanDerWaalsContact OD1-CB 3.24Å; N67-N110 WeakPolarHBondContact OD1-CB 3.49Å
68Y92.7Very high92.6Very high54 Ų5450.7 Ų50.721%0.21227%0.268CS..Iπ-helixtrans-130.4-63.7-174.8-60.7-84.8000110.8R64 W65 R70 R75 W149 C150R64-Y68 WeakPolarHBondContact O-CB 3.43Å; R64-Y68 PolarHBondContact O-N 3.45Å; W65-Y68 PolarHBondContact O-N 3.43Å; Y68-R70 PolarHBondContact O-N 3.43Å; Y68-R75 VanDerWaalsContact CA-NH2 3.33Å; Y68-R75 VanDerWaalsContact O-CZ 3.22Å; Y68-R75 PolarHBondContact O-NH1 2.98Å; Y68-R75 PolarHBondContact O-NH2 2.82Å; Y68-W149 HydrophobicContact CE2-CH2 4.13Å; Y68-W149 HydrophobicContact CE2-CZ2 4.49Å; Y68-C150 PolarHBondContact OH-SG 3.37Å
69L93.5Very high92.6Very high12 Ų1253.8 Ų53.86%0.06329%0.286CS..Iπ-helixtrans-78.3-25.8-163.8-55.2176.2000114.4D30 L33 V34 R64 W65 Y161D30-L69 HydrophobicContact CB-CD1 3.91Å; D30-L69 HydrophobicContact CB-CD2 3.86Å; L33-L69 HydrophobicContact CB-CD1 4.26Å; L33-L69 HydrophobicContact CD2-CD1 3.7Å; L33-L69 HydrophobicContact CG-CD1 4.12Å; V34-L69 HydrophobicContact CG2-CB 4.06Å; V34-L69 HydrophobicContact CG2-CD1 4.03Å; V34-L69 HydrophobicContact CG2-CD2 4.48Å; V34-L69 HydrophobicContact CG2-CG 4.42Å; R64-L69 HydrophobicContact CG-CD1 3.79Å; R64-L69 HydrophobicContact CG-CG 4.1Å; R64-L69 PolarHBondContact O-N 3.48Å; R64-L69 VanDerWaalsContact O-N 3.14Å; W65-L69 HydrophobicContact CD2-CB 4.43Å; W65-L69 HydrophobicContact CE3-CB 3.57Å; W65-L69 HydrophobicContact CZ3-CB 3.98Å; W65-L69 PolarHBondContact O-N 3.23Å; W65-L69 VanDerWaalsContact O-N 3.1Å; L69-Y161 VanDerWaalsContact CD2-OH 3.25Å; L69-Y161 WeakPolarHBondContact CD2-OH 3.48Å
70R92.7Very high92.5Very high77 Ų7751.2 Ų51.229%0.29129%0.29SS..SBendtrans-59135.7-174.1-171.5177-168.9-137.22.3111E42 W65 Y68 V73E42-R70 IonicContact OE1-NE 2.73Å; E42-R70 PolarHBondContact OE1-NE 3.05Å; E42-R70 IonicContact OE2-NE 3.86Å; W65-R70 HydrophobicContact CD2-CB 4.2Å; W65-R70 HydrophobicContact CG-CB 4.34Å; W65-R70 HydrophobicContact CZ2-CB 4.31Å; W65-R70 HydrophobicContact CZ2-CG 4.19Å; W65-R70 VanDerWaalsContact O-CB 3.22Å; W65-R70 WeakPolarHBondContact O-CB 3.18Å; W65-R70 PolarHBondContact O-N 3.21Å; Y68-R70 PolarHBondContact O-N 3.43Å; R70-V73 HydrophobicContact CB-CG2 4.11Å; R70-V73 WeakPolarHBondContact O-CG2 2.97Å; R70-V73 PolarHBondContact O-N 2.88Å
71P89.4Confident92.6Very high48 Ų4852.5 Ų52.531%0.31231%0.307SS..THydrogen-bonded Turntrans-62.2142.6175-18.131.2000111.7W204P71-W204 HydrophobicContact CB-CH2 3.41Å; P71-W204 VanDerWaalsContact CB-CH2 3.41Å; P71-W204 HydrophobicContact CB-CZ2 3.27Å; P71-W204 HydrophobicContact CG-CH2 3.14Å; P71-W204 HydrophobicContact CG-CZ2 3.43Å; P71-W204 VanDerWaalsContact CG-CZ2 3.43Å; P71-W204 HydrophobicContact CG-CZ3 4.15Å
72G89.2Confident92.6Very high56 Ų5653.2 Ų53.258%0.57731%0.311SS*.THydrogen-bonded Turntrans91.4-13-175.200000114.5R74 G106G72-R74 PolarHBondContact O-N 3.02Å; G72-G106 WeakPolarHBondContact O-CA 3.49Å
73V90.5Very high92.5Very high24 Ų2449.8 Ų49.815%0.14530%0.299CS..  trans-74.1112.4171.1-175.70000109.7R70 R75 T108R70-V73 HydrophobicContact CB-CG2 4.11Å; R70-V73 WeakPolarHBondContact O-CG2 2.97Å; R70-V73 PolarHBondContact O-N 2.88Å; V73-R75 PolarHBondContact O-NH1 3.2Å; V73-T108 HydrophobicContact CG1-CG2 3.74Å; V73-T108 HydrophobicContact CG2-CG2 4.08Å
74R89.2Confident92.5Very high116 Ų11651.4 Ų51.444%0.43831%0.31SS..  trans-75.3148.1-178.2-68.5174.369.1-153.2-2.5110.9G72 E82 P105 G106G72-R74 PolarHBondContact O-N 3.02Å; R74-E82 IonicContact CZ-OE1 3.56Å; R74-E82 IonicContact NH1-OE1 3.5Å; R74-E82 PolarHBondContact NH1-OE1 3.3Å; R74-P105 WeakPolarHBondContact CD-O 3.14Å; R74-G106 PolarHBondContact N-O 2.78Å
75R86.3Confident92.5Very high111 Ų11152.3 Ų52.342%0.41932%0.319SS..  trans-111.1144.6172.9-62.9-58.1-164.1-84-14.4109.8Y68 V73Y68-R75 VanDerWaalsContact CA-NH2 3.33Å; Y68-R75 VanDerWaalsContact O-CZ 3.22Å; Y68-R75 PolarHBondContact O-NH1 2.98Å; Y68-R75 PolarHBondContact O-NH2 2.82Å; V73-R75 PolarHBondContact O-NH1 3.2Å
76G87.9Confident92.5Very high56 Ų5651.9 Ų51.958%0.57732%0.317SS*.SBendtrans123.5175.4177.600000113.3R107G76-R107 PolarHBondContact O-NH1 3.44Å
77S90.8Very high92.6Very high101 Ų10153.6 Ų53.671%0.70632%0.32SS*.PPolyproline II helixtrans-62.8148.8177.248.80000111.4T79 R107S77-T79 PolarHBondContact O-N 3.4Å; S77-R107 PolarHBondContact O-NH2 2.88Å
78I92.1Very high92.7Very high24 Ų2458.6 Ų58.612%0.12334%0.343CS..PPolyproline II helixtrans-66.7125.6168-80.5159.9000108.3E82 D83 I86 Y115I78-E82 WeakPolarHBondContact CA-OE2 3.49Å; I78-E82 HydrophobicContact CG2-CB 3.77Å; I78-D83 HydrophobicContact CG2-CB 4.42Å; I78-I86 HydrophobicContact CD1-CD1 3.92Å; I78-I86 HydrophobicContact CG1-CD1 4.47Å; I78-I86 HydrophobicContact CG2-CD1 3.87Å; I78-Y115 HydrophobicContact CB-CD2 3.78Å; I78-Y115 HydrophobicContact CB-CE2 3.71Å; I78-Y115 HydrophobicContact CB-CG 4.31Å; I78-Y115 HydrophobicContact CD1-CD1 3.97Å; I78-Y115 HydrophobicContact CD1-CD2 3.49Å; I78-Y115 VanDerWaalsContact CD1-CD2 3.49Å; I78-Y115 HydrophobicContact CD1-CE2 4.27Å; I78-Y115 HydrophobicContact CD1-CG 3.3Å; I78-Y115 HydrophobicContact CG1-CD2 4.2Å; I78-Y115 HydrophobicContact CG1-CG 4.39Å; I78-Y115 HydrophobicContact CG2-CD1 4.32Å; I78-Y115 HydrophobicContact CG2-CD2 4.12Å; I78-Y115 HydrophobicContact CG2-CE1 4.02Å; I78-Y115 HydrophobicContact CG2-CE2 3.78Å; I78-Y115 HydrophobicContact CG2-CG 4.38Å
79T93.9Very high92.9Very high65 Ų6556.7 Ų56.740%0.39934%0.337SS..PPolyproline II helixtrans-71.1163.2-179.965.50000111S77 G81 E82 D83S77-T79 PolarHBondContact O-N 3.4Å; T79-G81 VanDerWaalsContact C-N 3.3Å; T79-G81 PolarHBondContact O-N 3.09Å; T79-E82 WeakPolarHBondContact CG2-OE2 3.24Å; T79-E82 PolarHBondContact N-OE2 3.23Å; T79-E82 PolarHBondContact O-N 3.49Å; T79-E82 WeakPolarHBondContact OG1-CB 2.99Å; T79-E82 WeakPolarHBondContact OG1-CG 3.42Å; T79-E82 PolarHBondContact OG1-N 2.74Å; T79-E82 PolarHBondContact OG1-OE2 3.26Å; T79-D83 PolarHBondContact O-N 3.1Å
80A93Very high93Very high82 Ų8257.6 Ų57.668%0.67834%0.34SS*.Hα-helixtrans-61.5-37.7177.400000112.6D83 T84A80-D83 PolarHBondContact O-N 3.05Å; A80-T84 PolarHBondContact O-N 2.87Å; A80-T84 VanDerWaalsContact O-N 3.16Å; A80-T84 PolarHBondContact O-OG1 3.4Å
81G95.4Very high93.1Very high49 Ų4958 Ų5851%0.50536%0.361SS..Hα-helixtrans-64.1-42.2174.700000112.4T79 T84 V85T79-G81 VanDerWaalsContact C-N 3.3Å; T79-G81 PolarHBondContact O-N 3.09Å; G81-T84 PolarHBondContact O-N 2.9Å; G81-V85 WeakPolarHBondContact O-CG2 3.27Å; G81-V85 PolarHBondContact O-N 3.23Å
82E95.9Very high93.5Very high15 Ų1564.4 Ų64.47%0.0738%0.379CS..Hα-helixtrans-64.6-38.8174.4-69168.1145.500111.8R74 I78 T79 T84 V85 I86 L104 R107R74-E82 IonicContact CZ-OE1 3.56Å; R74-E82 IonicContact NH1-OE1 3.5Å; R74-E82 PolarHBondContact NH1-OE1 3.3Å; I78-E82 WeakPolarHBondContact CA-OE2 3.49Å; I78-E82 HydrophobicContact CG2-CB 3.77Å; T79-E82 WeakPolarHBondContact CG2-OE2 3.24Å; T79-E82 PolarHBondContact N-OE2 3.23Å; T79-E82 PolarHBondContact O-N 3.49Å; T79-E82 WeakPolarHBondContact OG1-CB 2.99Å; T79-E82 WeakPolarHBondContact OG1-CG 3.42Å; T79-E82 PolarHBondContact OG1-N 2.74Å; T79-E82 PolarHBondContact OG1-OE2 3.26Å; E82-T84 PolarHBondContact O-N 3.33Å; E82-V85 PolarHBondContact O-N 3.17Å; E82-I86 WeakPolarHBondContact O-CB 3.17Å; E82-I86 WeakPolarHBondContact O-CG1 3.49Å; E82-I86 PolarHBondContact O-N 2.87Å; E82-L104 HydrophobicContact CB-CD2 4.2Å; E82-L104 HydrophobicContact CG-CD2 4.1Å; E82-R107 IonicContact OE1-CZ 3.55Å; E82-R107 IonicContact OE1-NE 3.43Å; E82-R107 PolarHBondContact OE1-NE 3.4Å; E82-R107 IonicContact OE1-NH2 3.5Å; E82-R107 PolarHBondContact OE1-NH2 3.26Å; E82-R107 IonicContact OE2-CZ 3.77Å; E82-R107 IonicContact OE2-NE 3.62Å; E82-R107 PolarHBondContact OE2-NE 3.31Å; E82-R107 IonicContact OE2-NH2 3.5Å; E82-R107 PolarHBondContact OE2-NH2 3.43Å
83D94.5Very high93.8Very high20 Ų2064.5 Ų64.511%0.10736%0.362CS..Hα-helixtrans-58.9-44.9175.2175.467.5000112I78 T79 A80 V85 I86 R87 Y115I78-D83 HydrophobicContact CG2-CB 4.42Å; T79-D83 PolarHBondContact O-N 3.1Å; A80-D83 PolarHBondContact O-N 3.05Å; D83-V85 PolarHBondContact O-N 3.48Å; D83-I86 PolarHBondContact O-N 3.27Å; D83-R87 VanDerWaalsContact CG-NE 3.3Å; D83-R87 WeakPolarHBondContact O-CG 3.42Å; D83-R87 PolarHBondContact O-N 3.01Å; D83-R87 IonicContact OD1-CZ 3.46Å; D83-R87 IonicContact OD1-NE 2.8Å; D83-R87 PolarHBondContact OD1-NE 3.04Å; D83-R87 VanDerWaalsContact OD1-NE 3.13Å; D83-R87 IonicContact OD1-NH2 3.23Å; D83-R87 PolarHBondContact OD1-NH2 3.21Å; D83-R87 IonicContact OD2-CZ 2.67Å; D83-R87 IonicContact OD2-NE 2.91Å; D83-R87 PolarHBondContact OD2-NE 3.5Å; D83-R87 IonicContact OD2-NH2 3.43Å; D83-R87 PolarHBondContact OD2-NH2 2.94Å; D83-Y115 HydrophobicContact CB-CE1 4.27Å; D83-Y115 WeakPolarHBondContact CB-OH 3.16Å; D83-Y115 VanDerWaalsContact OD1-CE1 3.28Å; D83-Y115 WeakPolarHBondContact OD1-CE1 3.16Å; D83-Y115 PolarHBondContact OD1-OH 2.95Å
84T95.6Very high94Very high70 Ų7064.6 Ų64.643%0.42937%0.368SS..Hα-helixtrans-58.3-49.4176.7-58.10000111.1A80 G81 E82 I86 R87 E88A80-T84 PolarHBondContact O-N 2.87Å; A80-T84 VanDerWaalsContact O-N 3.16Å; A80-T84 PolarHBondContact O-OG1 3.4Å; G81-T84 PolarHBondContact O-N 2.9Å; E82-T84 PolarHBondContact O-N 3.33Å; T84-I86 PolarHBondContact O-N 3.38Å; T84-R87 PolarHBondContact O-N 3.39Å; T84-E88 WeakPolarHBondContact CG2-OE1 3.49Å; T84-E88 WeakPolarHBondContact O-CG 3.43Å; T84-E88 PolarHBondContact O-N 3.43Å
85V96.4Very high94.3Very high47 Ų4764.2 Ų64.229%0.28537%0.374SS..Hα-helixtrans-61.8-42.2178.5174.60000111.5G81 E82 D83 R87 E88 L89 L104G81-V85 WeakPolarHBondContact O-CG2 3.27Å; G81-V85 PolarHBondContact O-N 3.23Å; E82-V85 PolarHBondContact O-N 3.17Å; D83-V85 PolarHBondContact O-N 3.48Å; V85-R87 VanDerWaalsContact C-N 3.34Å; V85-R87 PolarHBondContact O-N 3.14Å; V85-E88 PolarHBondContact O-N 3.23Å; V85-L89 HydrophobicContact CG1-CD1 3.57Å; V85-L89 HydrophobicContact CG1-CG 4.16Å; V85-L89 WeakPolarHBondContact O-CB 3.36Å; V85-L89 VanDerWaalsContact O-CG 3.27Å; V85-L89 WeakPolarHBondContact O-CG 3.27Å; V85-L89 PolarHBondContact O-N 2.95Å; V85-L104 HydrophobicContact CB-CD2 3.96Å; V85-L104 HydrophobicContact CG1-CD2 3.69Å; V85-L104 HydrophobicContact CG1-CG 4.23Å
86I95.9Very high94.7Very high0 Ų063.1 Ų63.10%037%0.372CS..Hα-helixtrans-59.2-45.5176.2-69.9166.1000110.6I78 E82 D83 T84 H90 L104 I112 Y115 W116 I120I78-I86 HydrophobicContact CD1-CD1 3.92Å; I78-I86 HydrophobicContact CG1-CD1 4.47Å; I78-I86 HydrophobicContact CG2-CD1 3.87Å; E82-I86 WeakPolarHBondContact O-CB 3.17Å; E82-I86 WeakPolarHBondContact O-CG1 3.49Å; E82-I86 PolarHBondContact O-N 2.87Å; D83-I86 PolarHBondContact O-N 3.27Å; T84-I86 PolarHBondContact O-N 3.38Å; I86-H90 WeakPolarHBondContact O-CB 3.36Å; I86-H90 PolarHBondContact O-N 2.76Å; I86-L104 HydrophobicContact CD1-CD1 4Å; I86-L104 HydrophobicContact CG1-CD1 3.41Å; I86-L104 VanDerWaalsContact CG1-CD1 3.41Å; I86-I112 HydrophobicContact CD1-CG1 4.42Å; I86-I112 HydrophobicContact CD1-CG2 4.16Å; I86-I112 HydrophobicContact CG1-CG2 4.01Å; I86-I112 HydrophobicContact CG2-CG2 4.01Å; I86-Y115 HydrophobicContact CD1-CD1 3.99Å; I86-Y115 HydrophobicContact CD1-CE1 4.35Å; I86-W116 HydrophobicContact CG2-CE3 4.05Å; I86-I120 HydrophobicContact CG2-CD1 4.12Å
87R94.8Very high95.2Very high86 Ų8662.3 Ų62.333%0.32535%0.352SS..Hα-helixtrans-63.4-46.6179.3-71173.5-168.3-79.4-17.9112.2D83 T84 V85 A91 I120D83-R87 VanDerWaalsContact CG-NE 3.3Å; D83-R87 WeakPolarHBondContact O-CG 3.42Å; D83-R87 PolarHBondContact O-N 3.01Å; D83-R87 IonicContact OD1-CZ 3.46Å; D83-R87 IonicContact OD1-NE 2.8Å; D83-R87 PolarHBondContact OD1-NE 3.04Å; D83-R87 VanDerWaalsContact OD1-NE 3.13Å; D83-R87 IonicContact OD1-NH2 3.23Å; D83-R87 PolarHBondContact OD1-NH2 3.21Å; D83-R87 IonicContact OD2-CZ 2.67Å; D83-R87 IonicContact OD2-NE 2.91Å; D83-R87 PolarHBondContact OD2-NE 3.5Å; D83-R87 IonicContact OD2-NH2 3.43Å; D83-R87 PolarHBondContact OD2-NH2 2.94Å; T84-R87 PolarHBondContact O-N 3.39Å; V85-R87 VanDerWaalsContact C-N 3.34Å; V85-R87 PolarHBondContact O-N 3.14Å; R87-A91 WeakPolarHBondContact O-CB 3.46Å; R87-A91 PolarHBondContact O-N 2.82Å; R87-I120 HydrophobicContact CG-CD1 4.23Å
88E96.6Very high95.4Very high117 Ų11759.1 Ų59.155%0.54733%0.329SS..Hα-helixtrans-63.4-46.5-179.8-72176.9-174.700112T84 V85 A91 R92T84-E88 WeakPolarHBondContact CG2-OE1 3.49Å; T84-E88 WeakPolarHBondContact O-CG 3.43Å; T84-E88 PolarHBondContact O-N 3.43Å; V85-E88 PolarHBondContact O-N 3.23Å; E88-A91 PolarHBondContact O-N 3.01Å; E88-R92 PolarHBondContact O-N 2.97Å; E88-R92 VanDerWaalsContact O-N 3.17Å
89L97.2Very high95.6Very high14 Ų1462.4 Ų62.47%0.07334%0.343CS..Hα-helixtrans-71.1-36.2-179.4-65.5176.3000112.1V85 R92 W93 I100 H103V85-L89 HydrophobicContact CG1-CD1 3.57Å; V85-L89 HydrophobicContact CG1-CG 4.16Å; V85-L89 WeakPolarHBondContact O-CB 3.36Å; V85-L89 VanDerWaalsContact O-CG 3.27Å; V85-L89 WeakPolarHBondContact O-CG 3.27Å; V85-L89 PolarHBondContact O-N 2.95Å; L89-R92 PolarHBondContact O-N 3.08Å; L89-W93 HydrophobicContact CB-CE3 4.39Å; L89-W93 HydrophobicContact CB-CZ3 4.48Å; L89-W93 HydrophobicContact CD2-CE3 4.35Å; L89-W93 HydrophobicContact CD2-CH2 3.95Å; L89-W93 HydrophobicContact CD2-CZ3 3.82Å; L89-W93 PolarHBondContact O-N 2.81Å; L89-I100 HydrophobicContact CB-CG1 4.02Å; L89-I100 HydrophobicContact CB-CG2 4.08Å; L89-I100 HydrophobicContact CD1-CG2 4Å; L89-H103 HydrophobicContact CD1-CB 3.44Å; L89-H103 VanDerWaalsContact CD1-CB 3.44Å
90H96Very high95.7Very high31 Ų3159.3 Ų59.314%0.14432%0.324CS..Hα-helixtrans-64.6-41.8172.7-173.8-84.4000111.6I86 R92 W93 G94 N95 W97 I100 W116I86-H90 WeakPolarHBondContact O-CB 3.36Å; I86-H90 PolarHBondContact O-N 2.76Å; H90-R92 PolarHBondContact O-N 2.87Å; H90-W93 PolarHBondContact O-N 3.1Å; H90-G94 PolarHBondContact CD2-O 2.75Å; H90-G94 VanDerWaalsContact CD2-O 3.23Å; H90-G94 VanDerWaalsContact O-CA 3.23Å; H90-G94 WeakPolarHBondContact O-CA 3.4Å; H90-G94 PolarHBondContact O-N 2.84Å; H90-N95 PolarHBondContact NE2-OD1 3.29Å; H90-W97 AromaticContact CD2-CH2 3.47Å; H90-W97 VanDerWaalsContact CD2-CH2 3.47Å; H90-W97 WeakPolarHBondContact CD2-CH2 3.3Å; H90-W97 AromaticContact CD2-CZ3 3.76Å; H90-W97 AromaticContact NE2-CH2 3.8Å; H90-I100 HydrophobicContact CB-CD1 4.29Å; H90-W116 HydrophobicContact CB-CE3 4.1Å; H90-W116 HydrophobicContact CB-CH2 3.94Å; H90-W116 HydrophobicContact CB-CZ3 3.58Å; H90-W116 AromaticContact CD2-CE2 3.99Å; H90-W116 AromaticContact CE1-CE2 3.66Å; H90-W116 AromaticContact CE1-CH2 3.65Å; H90-W116 AromaticContact CE1-CZ2 3.24Å; H90-W116 WeakPolarHBondContact CE1-CZ2 3.34Å; H90-W116 AromaticContact CG-CE3 3.85Å; H90-W116 AromaticContact CG-CH2 3.44Å; H90-W116 VanDerWaalsContact CG-CH2 3.44Å; H90-W116 AromaticContact CG-CZ2 3.77Å; H90-W116 AromaticContact CG-CZ3 3.47Å; H90-W116 VanDerWaalsContact CG-CZ3 3.47Å; H90-W116 AromaticContact ND1-CE2 3.92Å; H90-W116 AromaticContact ND1-CH2 3.09Å; H90-W116 WeakPolarHBondContact ND1-CH2 3.4Å; H90-W116 AromaticContact ND1-CZ2 3.23Å; H90-W116 WeakPolarHBondContact ND1-CZ2 3.37Å; H90-W116 AromaticContact ND1-CZ3 3.67Å; H90-W116 AromaticContact NE2-CE2 3.69Å; H90-W116 AromaticContact NE2-CZ2 3.76Å; H90-W116 AromaticContact NE2-NE1 3.91Å
91A95.1Very high95.9Very high87 Ų8756.6 Ų56.672%0.71930%0.3SS*.Hα-helixtrans-59.8-31.9174.400000112.4R87 E88R87-A91 WeakPolarHBondContact O-CB 3.46Å; R87-A91 PolarHBondContact O-N 2.82Å; E88-A91 PolarHBondContact O-N 3.01Å
92R96.5Very high95.9Very high181 Ų18162 Ų6268%0.68331%0.309SS*.Hα-helixtrans-82.8-38.1179.7-167.1179-66.9177.50.4114.1E88 L89 H90E88-R92 PolarHBondContact O-N 2.97Å; E88-R92 VanDerWaalsContact O-N 3.17Å; L89-R92 PolarHBondContact O-N 3.08Å; H90-R92 PolarHBondContact O-N 2.87Å
93W95.2Very high95.9Very high59 Ų5966.1 Ų66.122%0.22333%0.329CS..Hα-helixtrans-122.6-5.7-169.2-62.7-28.8000115.2L89 H90 K96 K99 I100 H103L89-W93 HydrophobicContact CB-CE3 4.39Å; L89-W93 HydrophobicContact CB-CZ3 4.48Å; L89-W93 HydrophobicContact CD2-CE3 4.35Å; L89-W93 HydrophobicContact CD2-CH2 3.95Å; L89-W93 HydrophobicContact CD2-CZ3 3.82Å; L89-W93 PolarHBondContact O-N 2.81Å; H90-W93 PolarHBondContact O-N 3.1Å; W93-K96 HydrophobicContact CB-CB 4.22Å; W93-K96 HydrophobicContact CB-CD 4.3Å; W93-K96 WeakPolarHBondContact O-CG 3.49Å; W93-K99 HydrophobicContact CD2-CD 3.78Å; W93-K99 HydrophobicContact CD2-CG 4.25Å; W93-K99 HydrophobicContact CE3-CB 4.22Å; W93-K99 HydrophobicContact CE3-CD 3.79Å; W93-K99 HydrophobicContact CE3-CG 3.73Å; W93-K99 HydrophobicContact CG-CD 4.26Å; W93-K99 HydrophobicContact CH2-CD 4.4Å; W93-K99 HydrophobicContact CH2-CG 4.22Å; W93-K99 HydrophobicContact CZ2-CD 4.4Å; W93-K99 HydrophobicContact CZ3-CB 4.45Å; W93-K99 HydrophobicContact CZ3-CD 4.11Å; W93-K99 HydrophobicContact CZ3-CG 3.71Å; W93-I100 HydrophobicContact CE3-CG1 4.1Å; W93-H103 AromaticContact CH2-CD2 3.74Å; W93-H103 AromaticContact CH2-NE2 3.28Å; W93-H103 VanDerWaalsContact CH2-NE2 3.28Å; W93-H103 WeakPolarHBondContact CH2-NE2 3.41Å; W93-H103 AromaticContact CZ3-CD2 3.68Å; W93-H103 AromaticContact CZ3-NE2 3.73Å
94G94.8Very high95.9Very high26 Ų2665.5 Ų65.527%0.26833%0.325SS..SBendtrans63.8-142.3-17300000112.4H90 K96H90-G94 PolarHBondContact CD2-O 2.75Å; H90-G94 VanDerWaalsContact CD2-O 3.23Å; H90-G94 VanDerWaalsContact O-CA 3.23Å; H90-G94 WeakPolarHBondContact O-CA 3.4Å; H90-G94 PolarHBondContact O-N 2.84Å; G94-K96 PolarHBondContact O-N 3.29Å
95N95.5Very high95.8Very high107 Ų10767.2 Ų67.257%0.57234%0.337SS*.SBendtrans-77.232.5-173.4-62.7-21.9000114.2H90 W97H90-N95 PolarHBondContact NE2-OD1 3.29Å; N95-W97 VanDerWaalsContact C-N 3.25Å; N95-W97 HydrophobicContact CB-CZ2 3.89Å; N95-W97 VanDerWaalsContact O-CD1 3.31Å; N95-W97 PolarHBondContact O-N 3.24Å; N95-W97 PolarHBondContact O-NE1 2.96Å; N95-W97 WeakPolarHBondContact OD1-CZ2 3.41Å
96K96.2Very high95.6Very high89 Ų8966.2 Ų66.239%0.38734%0.337SS..  trans-8564.2177.8-69-177.8178.5-76.40110.8W93 G94 S98 K99 I100 E258W93-K96 HydrophobicContact CB-CB 4.22Å; W93-K96 HydrophobicContact CB-CD 4.3Å; W93-K96 WeakPolarHBondContact O-CG 3.49Å; G94-K96 PolarHBondContact O-N 3.29Å; K96-S98 PolarHBondContact O-N 3.25Å; K96-K99 HydrophobicContact CB-CB 4.02Å; K96-K99 WeakPolarHBondContact O-CA 3.22Å; K96-K99 VanDerWaalsContact O-CB 3.31Å; K96-K99 WeakPolarHBondContact O-CB 3.21Å; K96-K99 PolarHBondContact O-N 2.84Å; K96-I100 WeakPolarHBondContact O-CG1 3.2Å; K96-I100 PolarHBondContact O-N 3.39Å; K96-E258 IonicContact NZ-OE1 2.77Å; K96-E258 PolarHBondContact NZ-OE1 2.96Å
97W96.9Very high95.5Very high39 Ų3966.9 Ų66.915%0.14834%0.339CS..Hα-helixtrans-56.4-45-169.8-52.6116.2000114.1H90 N95 K99 I100 S101 D109 I112 K113 W116H90-W97 AromaticContact CD2-CH2 3.47Å; H90-W97 VanDerWaalsContact CD2-CH2 3.47Å; H90-W97 WeakPolarHBondContact CD2-CH2 3.3Å; H90-W97 AromaticContact CD2-CZ3 3.76Å; H90-W97 AromaticContact NE2-CH2 3.8Å; N95-W97 VanDerWaalsContact C-N 3.25Å; N95-W97 HydrophobicContact CB-CZ2 3.89Å; N95-W97 VanDerWaalsContact O-CD1 3.31Å; N95-W97 PolarHBondContact O-N 3.24Å; N95-W97 PolarHBondContact O-NE1 2.96Å; N95-W97 WeakPolarHBondContact OD1-CZ2 3.41Å; W97-K99 PolarHBondContact O-N 3.39Å; W97-I100 HydrophobicContact CE3-CD1 3.98Å; W97-I100 HydrophobicContact CZ3-CD1 4.12Å; W97-I100 PolarHBondContact O-N 2.92Å; W97-I100 VanDerWaalsContact O-N 3.13Å; W97-S101 PolarHBondContact O-N 2.9Å; W97-S101 PolarHBondContact O-OG 3.34Å; W97-D109 HydrophobicContact CB-CB 3.83Å; W97-I112 HydrophobicContact CE3-CG2 3.78Å; W97-I112 HydrophobicContact CZ3-CG2 4.03Å; W97-K113 HydrophobicContact CD2-CB 3.85Å; W97-K113 HydrophobicContact CD2-CG 4.36Å; W97-K113 HydrophobicContact CE3-CB 4.43Å; W97-K113 HydrophobicContact CG-CB 3.91Å; W97-K113 HydrophobicContact CG-CG 4.41Å; W97-K113 HydrophobicContact CZ2-CG 4.48Å; W97-W116 HydrophobicContact CH2-CB 3.59Å; W97-W116 AromaticContact CH2-CD1 3.75Å; W97-W116 AromaticContact CH2-CD2 3.98Å; W97-W116 HydrophobicContact CH2-CD2 3.98Å; W97-W116 AromaticContact CH2-CG 3.47Å; W97-W116 HydrophobicContact CH2-CG 3.47Å; W97-W116 VanDerWaalsContact CH2-CG 3.47Å; W97-W116 HydrophobicContact CZ2-CB 4.43Å; W97-W116 HydrophobicContact CZ2-CG 4.35Å; W97-W116 HydrophobicContact CZ3-CB 3.98Å; W97-W116 HydrophobicContact CZ3-CG 4.18Å
98S95.3Very high95.6Very high33 Ų3363.5 Ų63.523%0.23133%0.328CS..Hα-helixtrans-66.8-21.8178.3-420000112.6K96 S101 K102 D109K96-S98 PolarHBondContact O-N 3.25Å; S98-S101 PolarHBondContact O-OG 2.83Å; S98-S101 VanDerWaalsContact O-OG 3.05Å; S98-K102 WeakPolarHBondContact O-CG 3.46Å; S98-D109 PolarHBondContact OG-OD2 2.77Å
99K96.5Very high95.5Very high93 Ų9359.5 Ų59.540%0.40431%0.311SS..Hα-helixtrans-80.4-41.2171-165.8178-178.9174.90111.2W93 K96 W97 K102W93-K99 HydrophobicContact CD2-CD 3.78Å; W93-K99 HydrophobicContact CD2-CG 4.25Å; W93-K99 HydrophobicContact CE3-CB 4.22Å; W93-K99 HydrophobicContact CE3-CD 3.79Å; W93-K99 HydrophobicContact CE3-CG 3.73Å; W93-K99 HydrophobicContact CG-CD 4.26Å; W93-K99 HydrophobicContact CH2-CD 4.4Å; W93-K99 HydrophobicContact CH2-CG 4.22Å; W93-K99 HydrophobicContact CZ2-CD 4.4Å; W93-K99 HydrophobicContact CZ3-CB 4.45Å; W93-K99 HydrophobicContact CZ3-CD 4.11Å; W93-K99 HydrophobicContact CZ3-CG 3.71Å; K96-K99 HydrophobicContact CB-CB 4.02Å; K96-K99 WeakPolarHBondContact O-CA 3.22Å; K96-K99 VanDerWaalsContact O-CB 3.31Å; K96-K99 WeakPolarHBondContact O-CB 3.21Å; K96-K99 PolarHBondContact O-N 2.84Å; W97-K99 PolarHBondContact O-N 3.39Å; K99-K102 WeakPolarHBondContact O-CB 3.25Å; K99-K102 PolarHBondContact O-N 2.89Å
100I97.2Very high95.4Very high0 Ų059.5 Ų59.50%031%0.311CS..Hα-helixtrans-63.2-41.9176.4-63172.9000110.8L89 H90 W93 K96 W97 K102 H103 L104 I112L89-I100 HydrophobicContact CB-CG1 4.02Å; L89-I100 HydrophobicContact CB-CG2 4.08Å; L89-I100 HydrophobicContact CD1-CG2 4Å; H90-I100 HydrophobicContact CB-CD1 4.29Å; W93-I100 HydrophobicContact CE3-CG1 4.1Å; K96-I100 WeakPolarHBondContact O-CG1 3.2Å; K96-I100 PolarHBondContact O-N 3.39Å; W97-I100 HydrophobicContact CE3-CD1 3.98Å; W97-I100 HydrophobicContact CZ3-CD1 4.12Å; W97-I100 PolarHBondContact O-N 2.92Å; W97-I100 VanDerWaalsContact O-N 3.13Å; I100-K102 PolarHBondContact O-N 3.06Å; I100-K102 VanDerWaalsContact O-N 3.15Å; I100-H103 PolarHBondContact O-N 3.28Å; I100-L104 HydrophobicContact CG2-CD1 4.33Å; I100-I112 HydrophobicContact CG2-CD1 4.34Å; I100-I112 HydrophobicContact CG2-CG2 4.11Å
101S95.8Very high95.3Very high26 Ų2660.1 Ų60.118%0.18231%0.314CS..G310 helixtrans-60.6-25.8-178.866.10000113.6W97 S98 H103 L104W97-S101 PolarHBondContact O-N 2.9Å; W97-S101 PolarHBondContact O-OG 3.34Å; S98-S101 PolarHBondContact O-OG 2.83Å; S98-S101 VanDerWaalsContact O-OG 3.05Å; S101-H103 PolarHBondContact O-N 2.84Å; S101-H103 VanDerWaalsContact O-N 3.16Å; S101-L104 PolarHBondContact O-N 2.9Å; S101-L104 VanDerWaalsContact O-N 3.1Å
102K95.7Very high95.3Very high161 Ų16156 Ų5670%0.728%0.279SS*.G310 helixtrans-61.4-21.7175.2-65176.7-178.1-179.20113S98 K99 I100S98-K102 WeakPolarHBondContact O-CG 3.46Å; K99-K102 WeakPolarHBondContact O-CB 3.25Å; K99-K102 PolarHBondContact O-N 2.89Å; I100-K102 PolarHBondContact O-N 3.06Å; I100-K102 VanDerWaalsContact O-N 3.15Å
103H95.6Very high95.2Very high102 Ų10250.4 Ų50.447%0.47226%0.26SS..G310 helixtrans-96.8-2.8178.7-66.9-86.9000113.8L89 W93 I100 S101L89-H103 HydrophobicContact CD1-CB 3.44Å; L89-H103 VanDerWaalsContact CD1-CB 3.44Å; W93-H103 AromaticContact CH2-CD2 3.74Å; W93-H103 AromaticContact CH2-NE2 3.28Å; W93-H103 VanDerWaalsContact CH2-NE2 3.28Å; W93-H103 WeakPolarHBondContact CH2-NE2 3.41Å; W93-H103 AromaticContact CZ3-CD2 3.68Å; W93-H103 AromaticContact CZ3-NE2 3.73Å; I100-H103 PolarHBondContact O-N 3.28Å; S101-H103 PolarHBondContact O-N 2.84Å; S101-H103 VanDerWaalsContact O-N 3.16Å
104L95Very high95.1Very high7 Ų750.3 Ų50.34%0.03726%0.264CS..SBendtrans-122.888.5-176.6-66.8171.3000108.9E82 V85 I86 I100 S101 G106 R107 I112E82-L104 HydrophobicContact CB-CD2 4.2Å; E82-L104 HydrophobicContact CG-CD2 4.1Å; V85-L104 HydrophobicContact CB-CD2 3.96Å; V85-L104 HydrophobicContact CG1-CD2 3.69Å; V85-L104 HydrophobicContact CG1-CG 4.23Å; I86-L104 HydrophobicContact CD1-CD1 4Å; I86-L104 HydrophobicContact CG1-CD1 3.41Å; I86-L104 VanDerWaalsContact CG1-CD1 3.41Å; I100-L104 HydrophobicContact CG2-CD1 4.33Å; S101-L104 PolarHBondContact O-N 2.9Å; S101-L104 VanDerWaalsContact O-N 3.1Å; L104-G106 PolarHBondContact O-N 3.41Å; L104-R107 HydrophobicContact CB-CB 3.82Å; L104-R107 HydrophobicContact CB-CG 4.04Å; L104-R107 PolarHBondContact O-N 2.69Å; L104-I112 HydrophobicContact CD1-CD1 3.7Å; L104-I112 HydrophobicContact CD1-CG1 3.96Å
105P92.8Very high95.1Very high106 Ų10650.6 Ų50.669%0.68826%0.257SS*.THydrogen-bonded Turntrans-59.5125.7-173.823.9-33.2000110.9R74 R107R74-P105 WeakPolarHBondContact CD-O 3.14Å; P105-R107 VanDerWaalsContact C-N 3.29Å; P105-R107 PolarHBondContact O-N 3.39Å
106G92.6Very high95Very high26 Ų2646.6 Ų46.627%0.26823%0.234SC..THydrogen-bonded Turntrans774.8-178.800000115.9G72 R74 L104G72-G106 WeakPolarHBondContact O-CA 3.49Å; R74-G106 PolarHBondContact N-O 2.78Å; L104-G106 PolarHBondContact O-N 3.41Å
107R94.9Very high94.7Very high14 Ų1448.3 Ų48.35%0.05324%0.238CC..  trans-97.6136.6168.7-61.2-57.6-174.3168.54.5110.9G76 S77 E82 L104 P105 E111 I112G76-R107 PolarHBondContact O-NH1 3.44Å; S77-R107 PolarHBondContact O-NH2 2.88Å; E82-R107 IonicContact OE1-CZ 3.55Å; E82-R107 IonicContact OE1-NE 3.43Å; E82-R107 PolarHBondContact OE1-NE 3.4Å; E82-R107 IonicContact OE1-NH2 3.5Å; E82-R107 PolarHBondContact OE1-NH2 3.26Å; E82-R107 IonicContact OE2-CZ 3.77Å; E82-R107 IonicContact OE2-NE 3.62Å; E82-R107 PolarHBondContact OE2-NE 3.31Å; E82-R107 IonicContact OE2-NH2 3.5Å; E82-R107 PolarHBondContact OE2-NH2 3.43Å; L104-R107 HydrophobicContact CB-CB 3.82Å; L104-R107 HydrophobicContact CB-CG 4.04Å; L104-R107 PolarHBondContact O-N 2.69Å; P105-R107 VanDerWaalsContact C-N 3.29Å; P105-R107 PolarHBondContact O-N 3.39Å; R107-E111 IonicContact NH1-OE1 3.23Å; R107-I112 HydrophobicContact CB-CD1 4.25Å; R107-I112 HydrophobicContact CB-CG1 4.3Å
108T95.8Very high94.2Very high15 Ų1549.9 Ų49.99%0.09225%0.252CS..  trans-88.5154.5177.460.70000110.6V73 N110 E111 I112V73-T108 HydrophobicContact CG1-CG2 3.74Å; V73-T108 HydrophobicContact CG2-CG2 4.08Å; T108-N110 PolarHBondContact O-N 3.5Å; T108-E111 PolarHBondContact N-OE2 2.88Å; T108-E111 PolarHBondContact O-N 2.82Å; T108-E111 WeakPolarHBondContact OG1-CB 3.18Å; T108-E111 WeakPolarHBondContact OG1-CG 3.24Å; T108-E111 PolarHBondContact OG1-N 3.44Å; T108-E111 PolarHBondContact OG1-OE2 3.43Å; T108-I112 WeakPolarHBondContact O-CD1 3.32Å; T108-I112 WeakPolarHBondContact O-CG1 3.32Å; T108-I112 PolarHBondContact O-N 3.28Å; T108-I112 VanDerWaalsContact O-N 3.13Å
109D95.3Very high93.6Very high34 Ų3455.6 Ų55.618%0.18227%0.269CS..Hα-helixtrans-59.3-36.4174.460.9-16.2000112W97 S98 I112 K113W97-D109 HydrophobicContact CB-CB 3.83Å; S98-D109 PolarHBondContact OG-OD2 2.77Å; D109-I112 PolarHBondContact O-N 3.46Å; D109-K113 VanDerWaalsContact O-CB 3.22Å; D109-K113 WeakPolarHBondContact O-CB 3.41Å; D109-K113 PolarHBondContact O-N 2.99Å
110N94.4Very high92.5Very high14 Ų1451.3 Ų51.38%0.07525%0.25CS..Hα-helixtrans-63.3-43.5175-167.561000112.5N67 T108 K113 N114N67-N110 VanDerWaalsContact OD1-CB 3.24Å; N67-N110 WeakPolarHBondContact OD1-CB 3.49Å; T108-N110 PolarHBondContact O-N 3.5Å; N110-K113 WeakPolarHBondContact OD1-CE 3.31Å; N110-K113 PolarHBondContact OD1-NZ 2.81Å; N110-N114 PolarHBondContact ND2-ND2 2.62Å; N110-N114 VanDerWaalsContact O-CB 3.29Å; N110-N114 WeakPolarHBondContact O-CB 3.48Å; N110-N114 PolarHBondContact O-N 3.34Å; N110-N114 PolarHBondContact O-ND2 2.78Å; N110-N114 PolarHBondContact O-OD1 2.99Å
111E94Very high91.2Very high43 Ų4355.4 Ų55.420%0.20127%0.269CS..Hα-helixtrans-61.4-46.4175.6-77.3171.3118.900112R107 T108 N114 Y115R107-E111 IonicContact NH1-OE1 3.23Å; T108-E111 PolarHBondContact N-OE2 2.88Å; T108-E111 PolarHBondContact O-N 2.82Å; T108-E111 WeakPolarHBondContact OG1-CB 3.18Å; T108-E111 WeakPolarHBondContact OG1-CG 3.24Å; T108-E111 PolarHBondContact OG1-N 3.44Å; T108-E111 PolarHBondContact OG1-OE2 3.43Å; E111-N114 PolarHBondContact O-N 2.91Å; E111-Y115 WeakPolarHBondContact O-CB 3.32Å; E111-Y115 PolarHBondContact O-N 2.79Å
112I95.1Very high90Very high0 Ų059 Ų590%028%0.283CS..Hα-helixtrans-64.7-45.7-178.6-62.1157.9000110.4I86 W97 I100 L104 R107 T108 D109 N114 Y115 W116I86-I112 HydrophobicContact CD1-CG1 4.42Å; I86-I112 HydrophobicContact CD1-CG2 4.16Å; I86-I112 HydrophobicContact CG1-CG2 4.01Å; I86-I112 HydrophobicContact CG2-CG2 4.01Å; W97-I112 HydrophobicContact CE3-CG2 3.78Å; W97-I112 HydrophobicContact CZ3-CG2 4.03Å; I100-I112 HydrophobicContact CG2-CD1 4.34Å; I100-I112 HydrophobicContact CG2-CG2 4.11Å; L104-I112 HydrophobicContact CD1-CD1 3.7Å; L104-I112 HydrophobicContact CD1-CG1 3.96Å; R107-I112 HydrophobicContact CB-CD1 4.25Å; R107-I112 HydrophobicContact CB-CG1 4.3Å; T108-I112 WeakPolarHBondContact O-CD1 3.32Å; T108-I112 WeakPolarHBondContact O-CG1 3.32Å; T108-I112 PolarHBondContact O-N 3.28Å; T108-I112 VanDerWaalsContact O-N 3.13Å; D109-I112 PolarHBondContact O-N 3.46Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 3.21Å; I112-Y115 WeakPolarHBondContact O-CB 3.37Å; I112-Y115 PolarHBondContact O-N 2.83Å; I112-W116 PolarHBondContact O-N 3.22Å
113K94.9Very high88.5Confident65 Ų6557 Ų5728%0.28327%0.274SS..Hα-helixtrans-57.8-46.5174.6177.3-174.369.3-165.20111.5W97 D109 N110 Y115 W116 R117W97-K113 HydrophobicContact CD2-CB 3.85Å; W97-K113 HydrophobicContact CD2-CG 4.36Å; W97-K113 HydrophobicContact CE3-CB 4.43Å; W97-K113 HydrophobicContact CG-CB 3.91Å; W97-K113 HydrophobicContact CG-CG 4.41Å; W97-K113 HydrophobicContact CZ2-CG 4.48Å; D109-K113 VanDerWaalsContact O-CB 3.22Å; D109-K113 WeakPolarHBondContact O-CB 3.41Å; D109-K113 PolarHBondContact O-N 2.99Å; N110-K113 WeakPolarHBondContact OD1-CE 3.31Å; N110-K113 PolarHBondContact OD1-NZ 2.81Å; K113-Y115 VanDerWaalsContact C-N 3.35Å; K113-W116 PolarHBondContact O-N 3.35Å; K113-R117 WeakPolarHBondContact O-CG 3.14Å; K113-R117 PolarHBondContact O-N 3.11Å
114N93.3Very high86.8Confident56 Ų5659.3 Ų59.330%0.29928%0.283SS..Hα-helixtrans-65.1-39.9178.9-72.2-11.7000111.7N110 E111 I112 R117 T118N110-N114 PolarHBondContact ND2-ND2 2.62Å; N110-N114 VanDerWaalsContact O-CB 3.29Å; N110-N114 WeakPolarHBondContact O-CB 3.48Å; N110-N114 PolarHBondContact O-N 3.34Å; N110-N114 PolarHBondContact O-ND2 2.78Å; N110-N114 PolarHBondContact O-OD1 2.99Å; E111-N114 PolarHBondContact O-N 2.91Å; I112-N114 VanDerWaalsContact C-N 3.35Å; I112-N114 PolarHBondContact O-N 3.21Å; N114-R117 PolarHBondContact O-N 3Å; N114-T118 WeakPolarHBondContact O-CB 3.11Å; N114-T118 WeakPolarHBondContact O-CG2 3.44Å; N114-T118 PolarHBondContact O-N 3.38Å; N114-T118 PolarHBondContact O-OG1 2.73Å
115Y93.3Very high85.1Confident32 Ų3264.6 Ų64.613%0.12531%0.308CS..Hα-helixtrans-62.2-44.6174.3-177.9-98.5000112I78 D83 I86 E111 I112 K113 T118 R119 I120I78-Y115 HydrophobicContact CB-CD2 3.78Å; I78-Y115 HydrophobicContact CB-CE2 3.71Å; I78-Y115 HydrophobicContact CB-CG 4.31Å; I78-Y115 HydrophobicContact CD1-CD1 3.97Å; I78-Y115 HydrophobicContact CD1-CD2 3.49Å; I78-Y115 VanDerWaalsContact CD1-CD2 3.49Å; I78-Y115 HydrophobicContact CD1-CE2 4.27Å; I78-Y115 HydrophobicContact CD1-CG 3.3Å; I78-Y115 HydrophobicContact CG1-CD2 4.2Å; I78-Y115 HydrophobicContact CG1-CG 4.39Å; I78-Y115 HydrophobicContact CG2-CD1 4.32Å; I78-Y115 HydrophobicContact CG2-CD2 4.12Å; I78-Y115 HydrophobicContact CG2-CE1 4.02Å; I78-Y115 HydrophobicContact CG2-CE2 3.78Å; I78-Y115 HydrophobicContact CG2-CG 4.38Å; D83-Y115 HydrophobicContact CB-CE1 4.27Å; D83-Y115 WeakPolarHBondContact CB-OH 3.16Å; D83-Y115 VanDerWaalsContact OD1-CE1 3.28Å; D83-Y115 WeakPolarHBondContact OD1-CE1 3.16Å; D83-Y115 PolarHBondContact OD1-OH 2.95Å; I86-Y115 HydrophobicContact CD1-CD1 3.99Å; I86-Y115 HydrophobicContact CD1-CE1 4.35Å; E111-Y115 WeakPolarHBondContact O-CB 3.32Å; E111-Y115 PolarHBondContact O-N 2.79Å; I112-Y115 WeakPolarHBondContact O-CB 3.37Å; I112-Y115 PolarHBondContact O-N 2.83Å; K113-Y115 VanDerWaalsContact C-N 3.35Å; Y115-T118 PolarHBondContact O-N 3.44Å; Y115-T118 PolarHBondContact O-OG1 3.47Å; Y115-R119 HydrophobicContact CD2-CB 4.12Å; Y115-R119 HydrophobicContact CD2-CG 3.83Å; Y115-R119 HydrophobicContact CE1-CB 4.36Å; Y115-R119 HydrophobicContact CE2-CB 3.88Å; Y115-R119 HydrophobicContact CE2-CG 3.68Å; Y115-R119 HydrophobicContact CG-CB 4.48Å; Y115-R119 WeakPolarHBondContact O-CB 3.3Å; Y115-R119 PolarHBondContact O-N 2.97Å; Y115-I120 HydrophobicContact CD1-CD1 3.99Å; Y115-I120 HydrophobicContact CD1-CG1 4.35Å; Y115-I120 HydrophobicContact CE1-CD1 3.77Å; Y115-I120 HydrophobicContact CE1-CG1 4.01Å
116W93.4Very high83.5Confident23 Ų2365.6 Ų65.69%0.08730%0.303CS..Iπ-helixtrans-60.6-49.2177.5-175-90.7000112I86 H90 W97 I112 K113 T118 I120 Q121I86-W116 HydrophobicContact CG2-CE3 4.05Å; H90-W116 HydrophobicContact CB-CE3 4.1Å; H90-W116 HydrophobicContact CB-CH2 3.94Å; H90-W116 HydrophobicContact CB-CZ3 3.58Å; H90-W116 AromaticContact CD2-CE2 3.99Å; H90-W116 AromaticContact CE1-CE2 3.66Å; H90-W116 AromaticContact CE1-CH2 3.65Å; H90-W116 AromaticContact CE1-CZ2 3.24Å; H90-W116 WeakPolarHBondContact CE1-CZ2 3.34Å; H90-W116 AromaticContact CG-CE3 3.85Å; H90-W116 AromaticContact CG-CH2 3.44Å; H90-W116 VanDerWaalsContact CG-CH2 3.44Å; H90-W116 AromaticContact CG-CZ2 3.77Å; H90-W116 AromaticContact CG-CZ3 3.47Å; H90-W116 VanDerWaalsContact CG-CZ3 3.47Å; H90-W116 AromaticContact ND1-CE2 3.92Å; H90-W116 AromaticContact ND1-CH2 3.09Å; H90-W116 WeakPolarHBondContact ND1-CH2 3.4Å; H90-W116 AromaticContact ND1-CZ2 3.23Å; H90-W116 WeakPolarHBondContact ND1-CZ2 3.37Å; H90-W116 AromaticContact ND1-CZ3 3.67Å; H90-W116 AromaticContact NE2-CE2 3.69Å; H90-W116 AromaticContact NE2-CZ2 3.76Å; H90-W116 AromaticContact NE2-NE1 3.91Å; W97-W116 HydrophobicContact CH2-CB 3.59Å; W97-W116 AromaticContact CH2-CD1 3.75Å; W97-W116 AromaticContact CH2-CD2 3.98Å; W97-W116 HydrophobicContact CH2-CD2 3.98Å; W97-W116 AromaticContact CH2-CG 3.47Å; W97-W116 HydrophobicContact CH2-CG 3.47Å; W97-W116 VanDerWaalsContact CH2-CG 3.47Å; W97-W116 HydrophobicContact CZ2-CB 4.43Å; W97-W116 HydrophobicContact CZ2-CG 4.35Å; W97-W116 HydrophobicContact CZ3-CB 3.98Å; W97-W116 HydrophobicContact CZ3-CG 4.18Å; I112-W116 PolarHBondContact O-N 3.22Å; K113-W116 PolarHBondContact O-N 3.35Å; W116-T118 VanDerWaalsContact C-N 3.35Å; W116-T118 PolarHBondContact O-N 3.12Å; W116-I120 HydrophobicContact CD2-CB 4.03Å; W116-I120 HydrophobicContact CD2-CD1 4Å; W116-I120 HydrophobicContact CD2-CG2 4.04Å; W116-I120 HydrophobicContact CE3-CB 4.02Å; W116-I120 HydrophobicContact CE3-CD1 3.18Å; W116-I120 HydrophobicContact CE3-CG1 4.14Å; W116-I120 HydrophobicContact CE3-CG2 3.92Å; W116-I120 HydrophobicContact CG-CB 4.47Å; W116-I120 HydrophobicContact CH2-CG2 3.66Å; W116-I120 HydrophobicContact CZ2-CG2 3.83Å; W116-I120 HydrophobicContact CZ3-CB 4.31Å; W116-I120 HydrophobicContact CZ3-CD1 3.5Å; W116-I120 VanDerWaalsContact CZ3-CD1 3.5Å; W116-I120 HydrophobicContact CZ3-CG1 4.45Å; W116-I120 HydrophobicContact CZ3-CG2 3.72Å; W116-I120 PolarHBondContact O-N 2.6Å; W116-Q121 PolarHBondContact O-N 3.23Å; W116-Q121 VanDerWaalsContact O-N 3.11Å
117R90.1Very high81.7Confident126 Ų12667.3 Ų67.348%0.47532%0.321SS..Iπ-helixtrans-58.4-43.7177.7-73.8-177.973.3177.5-3.7112.2K113 N114 D147K113-R117 WeakPolarHBondContact O-CG 3.14Å; K113-R117 PolarHBondContact O-N 3.11Å; N114-R117 PolarHBondContact O-N 3Å; R117-D147 IonicContact NH2-OD1 3.13Å
118T86.8Confident79.7Confident72 Ų7270.4 Ų70.444%0.44235%0.35SS..Iπ-helixtrans-88.4-41.2-172.756.10000114N114 Y115 W116 Q122N114-T118 WeakPolarHBondContact O-CB 3.11Å; N114-T118 WeakPolarHBondContact O-CG2 3.44Å; N114-T118 PolarHBondContact O-N 3.38Å; N114-T118 PolarHBondContact O-OG1 2.73Å; Y115-T118 PolarHBondContact O-N 3.44Å; Y115-T118 PolarHBondContact O-OG1 3.47Å; W116-T118 VanDerWaalsContact C-N 3.35Å; W116-T118 PolarHBondContact O-N 3.12Å; T118-Q122 WeakPolarHBondContact O-CB 3.32Å; T118-Q122 WeakPolarHBondContact O-CG 3.43Å; T118-Q122 PolarHBondContact O-NE2 3.42Å; T118-Q122 PolarHBondContact O-OE1 3.41Å
119R82.3Confident77.5Confident153 Ų15377.3 Ų77.358%0.57738%0.378SS*.Iπ-helixtrans-101.3-35.7-170.4-69.5-85.9-174150.2-0.9113.3Y115 K123Y115-R119 HydrophobicContact CD2-CB 4.12Å; Y115-R119 HydrophobicContact CD2-CG 3.83Å; Y115-R119 HydrophobicContact CE1-CB 4.36Å; Y115-R119 HydrophobicContact CE2-CB 3.88Å; Y115-R119 HydrophobicContact CE2-CG 3.68Å; Y115-R119 HydrophobicContact CG-CB 4.48Å; Y115-R119 WeakPolarHBondContact O-CB 3.3Å; Y115-R119 PolarHBondContact O-N 2.97Å; R119-K123 VanDerWaalsContact O-CG 3.27Å; R119-K123 WeakPolarHBondContact O-CG 3.48Å
120I74.4Confident75.2Confident3 Ų381.7 Ų81.72%0.01541%0.406CS..Iπ-helixtrans-90-42.8-172.2-62.1177.7000110.8I86 R87 Y115 W116 K123 K124I86-I120 HydrophobicContact CG2-CD1 4.12Å; R87-I120 HydrophobicContact CG-CD1 4.23Å; Y115-I120 HydrophobicContact CD1-CD1 3.99Å; Y115-I120 HydrophobicContact CD1-CG1 4.35Å; Y115-I120 HydrophobicContact CE1-CD1 3.77Å; Y115-I120 HydrophobicContact CE1-CG1 4.01Å; W116-I120 HydrophobicContact CD2-CB 4.03Å; W116-I120 HydrophobicContact CD2-CD1 4Å; W116-I120 HydrophobicContact CD2-CG2 4.04Å; W116-I120 HydrophobicContact CE3-CB 4.02Å; W116-I120 HydrophobicContact CE3-CD1 3.18Å; W116-I120 HydrophobicContact CE3-CG1 4.14Å; W116-I120 HydrophobicContact CE3-CG2 3.92Å; W116-I120 HydrophobicContact CG-CB 4.47Å; W116-I120 HydrophobicContact CH2-CG2 3.66Å; W116-I120 HydrophobicContact CZ2-CG2 3.83Å; W116-I120 HydrophobicContact CZ3-CB 4.31Å; W116-I120 HydrophobicContact CZ3-CD1 3.5Å; W116-I120 VanDerWaalsContact CZ3-CD1 3.5Å; W116-I120 HydrophobicContact CZ3-CG1 4.45Å; W116-I120 HydrophobicContact CZ3-CG2 3.72Å; W116-I120 PolarHBondContact O-N 2.6Å; I120-K123 PolarHBondContact O-N 3.43Å; I120-K124 PolarHBondContact O-N 2.94Å
121Q70.3Confident73Confident86 Ų8687.1 Ų87.140%0.40244%0.44SS..Hα-helixtrans-67.5-37.7176.6-68.3179.2-14.400112.3W116 K123 K124 Q125W116-Q121 PolarHBondContact O-N 3.23Å; W116-Q121 VanDerWaalsContact O-N 3.11Å; Q121-K123 PolarHBondContact O-N 3.4Å; Q121-K124 WeakPolarHBondContact O-CB 3.18Å; Q121-K124 PolarHBondContact O-N 3.26Å; Q121-Q125 PolarHBondContact O-N 3.44Å
122Q69.4Low70.5Confident101 Ų10193.8 Ų93.847%0.47247%0.471SS..Hα-helixtrans-65.8-37176.5-68.8-175.59.600112.8T118 K124 Q125 Q126T118-Q122 WeakPolarHBondContact O-CB 3.32Å; T118-Q122 WeakPolarHBondContact O-CG 3.43Å; T118-Q122 PolarHBondContact O-NE2 3.42Å; T118-Q122 PolarHBondContact O-OE1 3.41Å; Q122-K124 PolarHBondContact O-N 3.11Å; Q122-Q125 PolarHBondContact O-N 3.25Å; Q122-Q126 WeakPolarHBondContact O-CG 3.15Å; Q122-Q126 PolarHBondContact O-N 2.99Å
123K64.4Low67.9Low118 Ų118103.3 Ų103.351%0.51352%0.516SS..Hα-helixtrans-60.5-33.2174.3-79.6178.9178.1-173.10112.4R119 I120 Q121 G127R119-K123 VanDerWaalsContact O-CG 3.27Å; R119-K123 WeakPolarHBondContact O-CG 3.48Å; I120-K123 PolarHBondContact O-N 3.43Å; Q121-K123 PolarHBondContact O-N 3.4Å; K123-G127 PolarHBondContact O-N 2.9Å
124K59.5Low65Low152 Ų152111 Ų11166%0.66154%0.543SS*.Hα-helixtrans-69.7-34.4174.1-66.7-172.4177.5-172.10112.5I120 Q121 Q122I120-K124 PolarHBondContact O-N 2.94Å; Q121-K124 WeakPolarHBondContact O-CB 3.18Å; Q121-K124 PolarHBondContact O-N 3.26Å; Q122-K124 PolarHBondContact O-N 3.11Å
125Q59.4Low62.4Low117 Ų117115.5 Ų115.555%0.54756%0.563SS.*Hα-helixtrans-78.1-32.3179.8-64.5179.924.700113Q121 Q122 A128Q121-Q125 PolarHBondContact O-N 3.44Å; Q122-Q125 PolarHBondContact O-N 3.25Å; Q125-A128 PolarHBondContact O-N 3.45Å
126Q59.3Low59.7Low127 Ų127120.1 Ų120.159%0.59360%0.596SS**Hα-helixtrans-72.7-31.1178.1-69.6176.722.400112.3Q122 A128 K129Q122-Q126 WeakPolarHBondContact O-CG 3.15Å; Q122-Q126 PolarHBondContact O-N 2.99Å; Q126-A128 PolarHBondContact O-N 3.06Å; Q126-K129 PolarHBondContact O-N 2.82Å
127G54.8Low57.2Low63 Ų63124 Ų12465%0.64963%0.627SS**THydrogen-bonded Turntrans-66.7-21.5172.900000114.4K123K123-G127 PolarHBondContact O-N 2.9Å
128A53.3Low54.5Low79 Ų79124.7 Ų124.765%0.65365%0.646SS**THydrogen-bonded Turntrans-90.9-16.1-179.500000113.9Q125 Q126Q125-A128 PolarHBondContact O-N 3.45Å; Q126-A128 PolarHBondContact O-N 3.06Å
129K50.5Low52.3Low159 Ų159127.7 Ų127.769%0.69166%0.664SS**SBendtrans-93.7-7-172.6-72.8-174.9176.8-174.10114.9Q126 T131Q126-K129 PolarHBondContact O-N 2.82Å; K129-T131 PolarHBondContact O-N 3.09Å
130T47.2Very low50.1Low126 Ų126125.7 Ų125.777%0.77368%0.68SS**THydrogen-bonded Turntrans-80.94.3-176.8-42.60000114.1
131T46.9Very low48.5Very low128 Ų128130.7 Ų130.779%0.78572%0.715SS**THydrogen-bonded Turntrans-1100.8179.9-53.70000114.4K129K129-T131 PolarHBondContact O-N 3.09Å
132Q42.8Very low46.9Very low183 Ų183132.3 Ų132.386%0.85574%0.736SS**  trans-131.683.7176-66.5-174.321.500111.7
133Q38.6Very low45.2Very low201 Ų201131.2 Ų131.294%0.93975%0.752SS**  trans-83.199.2157.3-86.9-171.5-28.700109.2
134R35.5Very low43.7Very low226 Ų226130.7 Ų130.785%0.85377%0.77SS**  trans169.6150.1138.7-112175.9154.6173.1-8.2110
135E38.8Very low42.4Very low151 Ų151125.4 Ų125.471%0.70676%0.758SS**  trans90.9104.8176.5-49.2-52.8130.700116.8
136P36.1Very low41.3Very low128 Ų128127.8 Ų127.883%0.83178%0.775SS**  trans-89.8101.7164.932.5-23.2000109.5
137S40.6Very low40.3Very low105 Ų105128 Ų12873%0.73478%0.78SS**  trans-114109.6169.754.60000110.6T139S137-T139 PolarHBondContact O-N 3.47Å
138T34.3Very low39.3Very low141 Ų141134.9 Ų134.987%0.86579%0.788SS**  trans-57116167.227.60000112.2
139T40.8Very low38.7Very low134 Ų134136.3 Ų136.382%0.82278%0.776SS**  trans-148.8107.7149.245.20000109.1S137S137-T139 PolarHBondContact O-N 3.47Å
140A34.8Very low38.1Very low111 Ų111130.8 Ų130.892%0.91776%0.757SS**  trans-69.8123.4165.100000109
141S41.9Very low37.7Very low109 Ų109130.5 Ų130.576%0.76276%0.755SS**  trans-132.3101160.375.10000109.5G143S141-G143 PolarHBondContact O-N 3.38Å
142S35.6Very low37.5Very low119 Ų119132.5 Ų132.583%0.83275%0.753SS**  trans-25.2109.1154.735.90000115
143G34.7Very low37.5Very low79 Ų79125.9 Ų125.981%0.81473%0.726SS**  trans-111.965.2156.200000108.9S141 G145S141-G143 PolarHBondContact O-N 3.38Å; G143-G145 PolarHBondContact O-N 3.1Å
144A33.1Very low37.7Very low107 Ų107120.3 Ų120.388%0.88470%0.703SS**  trans-80.891.4173.400000108.2
145G31.2Very low38.3Very low40 Ų40114.3 Ų114.341%0.41269%0.693SS.*  trans-149.4119.3177.800000111.4G143 D147G143-G145 PolarHBondContact O-N 3.1Å; G145-D147 PolarHBondContact O-N 3.45Å
146D36.4Very low38.8Very low168 Ų168113.2 Ų113.290%0.89869%0.692SS**SBendtrans78.7-2.6148.88.3-49.8000122Y148D146-Y148 VanDerWaalsContact C-N 3.34Å; D146-Y148 PolarHBondContact O-N 3.4Å
147D38Very low39.5Very low130 Ų130112.8 Ų112.870%0.69568%0.679SS**  trans-86.421-177.9-86.7-12.1000116.1R117 G145 W149R117-D147 IonicContact NH2-OD1 3.13Å; G145-D147 PolarHBondContact O-N 3.45Å; D147-W149 PolarHBondContact O-N 2.97Å
148Y35.3Very low40.2Very low209 Ų209111.6 Ų111.682%0.8266%0.662SS**THydrogen-bonded Turntrans-89.634.5-168.2-159.7-102.8000116.9D146D146-Y148 VanDerWaalsContact C-N 3.34Å; D146-Y148 PolarHBondContact O-N 3.4Å
149W40.1Very low41.3Very low109 Ų109108 Ų10841%0.41365%0.646SS.*THydrogen-bonded Turntrans-129.5-7.3175.4126.2-92.4000115.8L63 Y68 D147L63-W149 HydrophobicContact CB-CH2 4.26Å; L63-W149 HydrophobicContact CD1-CH2 4.48Å; L63-W149 HydrophobicContact CD1-CZ2 4.08Å; L63-W149 HydrophobicContact CD2-CD2 3.95Å; L63-W149 VanDerWaalsContact CD2-CE2 3.49Å; L63-W149 HydrophobicContact CD2-CE3 4Å; L63-W149 HydrophobicContact CD2-CH2 3.26Å; L63-W149 HydrophobicContact CD2-CZ2 3.16Å; L63-W149 HydrophobicContact CD2-CZ3 3.67Å; L63-W149 HydrophobicContact CG-CH2 3.36Å; L63-W149 HydrophobicContact CG-CZ2 3.38Å; L63-W149 HydrophobicContact CG-CZ3 4.17Å; Y68-W149 HydrophobicContact CE2-CH2 4.13Å; Y68-W149 HydrophobicContact CE2-CZ2 4.49Å; D147-W149 PolarHBondContact O-N 2.97Å
150C38.5Very low42.1Very low42 Ų42107.1 Ų107.128%0.28463%0.632SS.*  trans-131.251.8179.8-89.10000111.9Y68 K152Y68-C150 PolarHBondContact OH-SG 3.37Å; C150-K152 PolarHBondContact O-N 3.48Å; C150-K152 VanDerWaalsContact O-N 3.09Å
151T37.9Very low43.3Very low120 Ų120103.7 Ų103.774%0.73660%0.596SS**  trans-63.8111.8152.61.10000105.7
152K43Very low44.1Very low170 Ų170101.3 Ų101.374%0.73958%0.579SS**  trans-46.2135.9161.3-70.1178.7179.3177.70106C150 D154C150-K152 PolarHBondContact O-N 3.48Å; C150-K152 VanDerWaalsContact O-N 3.09Å; K152-D154 PolarHBondContact O-N 2.88Å
153P41.7Very low45.5Very low45 Ų45101.5 Ų101.529%0.29257%0.57SS.*  trans-48.8139.4166.122.1-30000107Q157 Q158P153-Q157 HydrophobicContact CB-CB 4.05Å; P153-Q158 HydrophobicContact CG-CB 4.38Å
154D42.7Very low46.8Very low84 Ų84101.1 Ų101.145%0.44955%0.547SS..  trans-40.1132.8174-169.3-35.8000108.5K152 D156 Q157 Q158K152-D154 PolarHBondContact O-N 2.88Å; D154-D156 PolarHBondContact O-N 2.82Å; D154-D156 PolarHBondContact OD1-N 2.91Å; D154-Q157 HydrophobicContact CB-CB 3.98Å; D154-Q157 HydrophobicContact CB-CG 3.81Å; D154-Q157 CarbonylContact O-C 3.48Å; D154-Q157 WeakPolarHBondContact O-CA 3.45Å; D154-Q157 WeakPolarHBondContact O-CB 3.36Å; D154-Q157 PolarHBondContact O-N 3.37Å; D154-Q158 PolarHBondContact O-N 3.47Å
155P49.8Very low48.1Very low99 Ų99100 Ų10064%0.64352%0.522SS*.Hα-helixtrans-43.9-34.8177.3-30.334.4000113.3Q158 A159P155-Q158 WeakPolarHBondContact O-CB 3.46Å; P155-Q158 PolarHBondContact O-N 2.89Å; P155-A159 PolarHBondContact O-N 3.38Å; P155-A159 VanDerWaalsContact O-N 3.11Å
156D47.5Very low49.6Very low129 Ų129100 Ų10069%0.6952%0.517SS*.Hα-helixtrans-71.9-39.7176.4-66-16.4000112.5D154 Q158 A159 H160D154-D156 PolarHBondContact O-N 2.82Å; D154-D156 PolarHBondContact OD1-N 2.91Å; D156-Q158 PolarHBondContact O-N 3.21Å; D156-A159 PolarHBondContact O-N 3.3Å; D156-H160 PolarHBondContact O-N 3.01Å; D156-H160 VanDerWaalsContact O-N 3.13Å
157Q51.4Low50.8Low119 Ų11994.9 Ų94.956%0.55650%0.499SS*.Hα-helixtrans-63.9-31.7169.8-72.4176.2-11.300111.7P153 D154 Y161P153-Q157 HydrophobicContact CB-CB 4.05Å; D154-Q157 HydrophobicContact CB-CB 3.98Å; D154-Q157 HydrophobicContact CB-CG 3.81Å; D154-Q157 CarbonylContact O-C 3.48Å; D154-Q157 WeakPolarHBondContact O-CA 3.45Å; D154-Q157 WeakPolarHBondContact O-CB 3.36Å; D154-Q157 PolarHBondContact O-N 3.37Å; Q157-Y161 WeakPolarHBondContact O-CB 3.33Å; Q157-Y161 PolarHBondContact O-N 3.26Å
158Q54.8Low51.8Low80 Ų8091.6 Ų91.637%0.37448%0.48SS..Hα-helixtrans-71.1-38179.4-168160.122.700111.7P153 D154 P155 D156 Y161 C162P153-Q158 HydrophobicContact CG-CB 4.38Å; D154-Q158 PolarHBondContact O-N 3.47Å; P155-Q158 WeakPolarHBondContact O-CB 3.46Å; P155-Q158 PolarHBondContact O-N 2.89Å; D156-Q158 PolarHBondContact O-N 3.21Å; Q158-Y161 WeakPolarHBondContact O-CB 3.19Å; Q158-Y161 PolarHBondContact O-N 3.44Å; Q158-C162 PolarHBondContact O-N 3.38Å; Q158-C162 PolarHBondContact O-SG 3.17Å
159A57.3Low52.9Low64 Ų6482.1 Ų82.153%0.52945%0.445SS..Hα-helixtrans-64.1-48.2171.900000111.5P155 D156 Y161 C162 L163P155-A159 PolarHBondContact O-N 3.38Å; P155-A159 VanDerWaalsContact O-N 3.11Å; D156-A159 PolarHBondContact O-N 3.3Å; A159-Y161 VanDerWaalsContact C-N 3.31Å; A159-Y161 PolarHBondContact O-N 3.32Å; A159-C162 PolarHBondContact O-N 3.32Å; A159-L163 PolarHBondContact O-N 3.13Å
160H58.8Low53.5Low116 Ų11679.4 Ų79.454%0.53745%0.445SS..Hα-helixtrans-60.2-41.2175.7-171-86.4000111.9D156 C162 L163 Q164D156-H160 PolarHBondContact O-N 3.01Å; D156-H160 VanDerWaalsContact O-N 3.13Å; H160-C162 PolarHBondContact O-N 2.81Å; H160-L163 PolarHBondContact O-N 3.4Å; H160-Q164 PolarHBondContact CE1-OE1 3.21Å; H160-Q164 VanDerWaalsContact CE1-OE1 3.28Å; H160-Q164 PolarHBondContact ND1-OE1 3.4Å; H160-Q164 VanDerWaalsContact O-CB 3.25Å; H160-Q164 WeakPolarHBondContact O-CB 3.46Å; H160-Q164 PolarHBondContact O-N 3.49Å
161Y58.7Low54.1Low39 Ų3979.9 Ų79.915%0.15345%0.453CS..Hα-helixtrans-59.1-46.4175.1-178.4-88.9000111.8L27 D30 L69 Q157 Q158 A159 K165L27-Y161 HydrophobicContact CB-CD2 4.19Å; L27-Y161 HydrophobicContact CB-CE2 4.32Å; L27-Y161 HydrophobicContact CD1-CD2 3.53Å; L27-Y161 HydrophobicContact CD1-CE2 3.24Å; L27-Y161 HydrophobicContact CD1-CG 4.34Å; L27-Y161 HydrophobicContact CG-CD2 4.36Å; L27-Y161 HydrophobicContact CG-CE2 4.33Å; D30-Y161 WeakPolarHBondContact OD2-CE2 3.45Å; D30-Y161 PolarHBondContact OD2-OH 3.21Å; L69-Y161 VanDerWaalsContact CD2-OH 3.25Å; L69-Y161 WeakPolarHBondContact CD2-OH 3.48Å; Q157-Y161 WeakPolarHBondContact O-CB 3.33Å; Q157-Y161 PolarHBondContact O-N 3.26Å; Q158-Y161 WeakPolarHBondContact O-CB 3.19Å; Q158-Y161 PolarHBondContact O-N 3.44Å; A159-Y161 VanDerWaalsContact C-N 3.31Å; A159-Y161 PolarHBondContact O-N 3.32Å; Y161-K165 HydrophobicContact CE1-CD 4.06Å; Y161-K165 WeakPolarHBondContact O-CB 3.28Å; Y161-K165 PolarHBondContact O-N 2.97Å
162C59.7Low54.9Low59 Ų5977.4 Ų77.440%0.39944%0.438SS..Hα-helixtrans-63.7-44.1177.3-71.70000111.9Q158 A159 H160 K165 A166Q158-C162 PolarHBondContact O-N 3.38Å; Q158-C162 PolarHBondContact O-SG 3.17Å; A159-C162 PolarHBondContact O-N 3.32Å; H160-C162 PolarHBondContact O-N 2.81Å; C162-K165 PolarHBondContact O-N 3.46Å; C162-A166 WeakPolarHBondContact O-CB 3.15Å; C162-A166 PolarHBondContact O-N 3.4Å
163L65.1Low55.2Low124 Ų12470.6 Ų70.665%0.64941%0.413SS*.Hα-helixtrans-65.8-45.9-179.8-171.567.8000111.7A159 H160 K165 A166 A167A159-L163 PolarHBondContact O-N 3.13Å; H160-L163 PolarHBondContact O-N 3.4Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.34Å; L163-A166 PolarHBondContact O-N 3.37Å; L163-A167 WeakPolarHBondContact O-CB 3.25Å; L163-A167 PolarHBondContact O-N 3.04Å
164Q62.6Low55.7Low70 Ų7072.7 Ų72.733%0.32743%0.425SS..Hα-helixtrans-66.7-37179.7-164.6174.310.800111.2L27 H160 A167 M168L27-Q164 HydrophobicContact CD2-CB 3.51Å; L27-Q164 HydrophobicContact CD2-CG 3.25Å; H160-Q164 PolarHBondContact CE1-OE1 3.21Å; H160-Q164 VanDerWaalsContact CE1-OE1 3.28Å; H160-Q164 PolarHBondContact ND1-OE1 3.4Å; H160-Q164 VanDerWaalsContact O-CB 3.25Å; H160-Q164 WeakPolarHBondContact O-CB 3.46Å; H160-Q164 PolarHBondContact O-N 3.49Å; Q164-A167 PolarHBondContact O-N 3.46Å; Q164-M168 HydrophobicContact CG-CE 3.73Å; Q164-M168 HydrophobicContact CG-SD 4.12Å; Q164-M168 WeakPolarHBondContact O-CB 3.36Å; Q164-M168 VanDerWaalsContact O-CG 3.24Å; Q164-M168 WeakPolarHBondContact O-CG 3.45Å; Q164-M168 PolarHBondContact O-N 3.01Å
165K59.5Low56Low85 Ų8573.3 Ų73.337%0.3743%0.432SS..Hα-helixtrans-65.3-38.5173.6-166.8173.8-173.6178.80112.4Y161 C162 L163 A169Y161-K165 HydrophobicContact CE1-CD 4.06Å; Y161-K165 WeakPolarHBondContact O-CB 3.28Å; Y161-K165 PolarHBondContact O-N 2.97Å; C162-K165 PolarHBondContact O-N 3.46Å; L163-K165 VanDerWaalsContact C-N 3.32Å; L163-K165 PolarHBondContact O-N 3.34Å; K165-A169 PolarHBondContact O-N 2.96Å; K165-A169 VanDerWaalsContact O-N 3.16Å
166A61.7Low55.9Low38 Ų3873 Ų7331%0.31443%0.432SS..Hα-helixtrans-68.5-43.2174.200000112.4C162 L163 M168 A169 A170C162-A166 WeakPolarHBondContact O-CB 3.15Å; C162-A166 PolarHBondContact O-N 3.4Å; L163-A166 PolarHBondContact O-N 3.37Å; A166-M168 VanDerWaalsContact C-N 3.33Å; A166-M168 PolarHBondContact O-N 3.45Å; A166-A169 WeakPolarHBondContact O-CA 2.93Å; A166-A169 WeakPolarHBondContact O-CB 3.05Å; A166-A169 PolarHBondContact O-N 2.98Å; A166-A169 VanDerWaalsContact O-N 3.1Å; A166-A170 PolarHBondContact O-N 3.49Å
167A63.6Low55.7Low61 Ų6170.5 Ų70.550%0.50443%0.43SS..Hα-helixtrans-62.1-41177.400000112.1L163 Q164 A169 A170 A171L163-A167 WeakPolarHBondContact O-CB 3.25Å; L163-A167 PolarHBondContact O-N 3.04Å; Q164-A167 PolarHBondContact O-N 3.46Å; A167-A169 VanDerWaalsContact C-N 3.25Å; A167-A169 PolarHBondContact O-N 3.2Å; A167-A170 WeakPolarHBondContact O-CB 3.1Å; A167-A170 PolarHBondContact O-N 2.88Å; A167-A171 PolarHBondContact O-N 3.16Å
168M58.2Low55.3Low62 Ų6270.3 Ų70.331%0.30544%0.436SS..Hα-helixtrans-66.3-31.8175.2-72.5163.9171.700111.9L27 L31 Q164 A166 A171 T172L27-M168 HydrophobicContact CD2-CE 4.25Å; L27-M168 HydrophobicContact CD2-SD 4.11Å; L31-M168 HydrophobicContact CD1-CE 3.36Å; L31-M168 HydrophobicContact CD1-SD 3.19Å; L31-M168 WeakPolarHBondContact CD1-SD 3.49Å; L31-M168 HydrophobicContact CD2-SD 3.55Å; L31-M168 VanDerWaalsContact CD2-SD 3.55Å; L31-M168 HydrophobicContact CG-SD 3.95Å; Q164-M168 HydrophobicContact CG-CE 3.73Å; Q164-M168 HydrophobicContact CG-SD 4.12Å; Q164-M168 WeakPolarHBondContact O-CB 3.36Å; Q164-M168 VanDerWaalsContact O-CG 3.24Å; Q164-M168 WeakPolarHBondContact O-CG 3.45Å; Q164-M168 PolarHBondContact O-N 3.01Å; A166-M168 VanDerWaalsContact C-N 3.33Å; A166-M168 PolarHBondContact O-N 3.45Å; M168-A171 PolarHBondContact O-N 2.87Å; M168-T172 PolarHBondContact O-N 3.25Å; M168-T172 VanDerWaalsContact O-N 3.13Å; M168-T172 PolarHBondContact O-OG1 3.1Å; M168-T172 VanDerWaalsContact O-OG1 3.13Å
169A57.6Low54.8Low10 Ų1072.1 Ų72.18%0.08345%0.452CS..Hα-helixtrans-66.8-39.6172.400000114.2K165 A166 A167 A171 T172 A173 Y205K165-A169 PolarHBondContact O-N 2.96Å; K165-A169 VanDerWaalsContact O-N 3.16Å; A166-A169 WeakPolarHBondContact O-CA 2.93Å; A166-A169 WeakPolarHBondContact O-CB 3.05Å; A166-A169 PolarHBondContact O-N 2.98Å; A166-A169 VanDerWaalsContact O-N 3.1Å; A167-A169 VanDerWaalsContact C-N 3.25Å; A167-A169 PolarHBondContact O-N 3.2Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 3.24Å; A169-T172 PolarHBondContact O-OG1 3.14Å; A169-T172 VanDerWaalsContact O-OG1 3.14Å; A169-A173 PolarHBondContact O-N 3.49Å; A169-Y205 VanDerWaalsContact CA-CE1 3.42Å; A169-Y205 WeakPolarHBondContact CA-OH 3.47Å; A169-Y205 HydrophobicContact CB-CE1 3.48Å; A169-Y205 VanDerWaalsContact CB-CE1 3.48Å; A169-Y205 WeakPolarHBondContact CB-OH 2.94Å; A169-Y205 PolarHBondContact N-OH 3.38Å; A169-Y205 WeakPolarHBondContact O-CE1 3.48Å
170A54.4Low54Low51 Ų5175.1 Ų75.142%0.42146%0.464SS..Hα-helixtrans-61.2-43.2170.100000111.4A166 A167 T172 A173 T174A166-A170 PolarHBondContact O-N 3.49Å; A167-A170 WeakPolarHBondContact O-CB 3.1Å; A167-A170 PolarHBondContact O-N 2.88Å; A170-T172 PolarHBondContact O-N 3.43Å; A170-A173 WeakPolarHBondContact O-CB 3.24Å; A170-A173 PolarHBondContact O-N 3.44Å; A170-A173 VanDerWaalsContact O-N 3.17Å; A170-T174 PolarHBondContact O-N 3.28Å; A170-T174 PolarHBondContact O-OG1 3.45Å; A170-T174 VanDerWaalsContact O-OG1 3.07Å
171A50.6Low53Low53 Ų5375.1 Ų75.144%0.43848%0.477SS..Hα-helixtrans-63.2-42.6-177.200000113.7A167 M168 A169 A173 T174 T175A167-A171 PolarHBondContact O-N 3.16Å; M168-A171 PolarHBondContact O-N 2.87Å; A169-A171 VanDerWaalsContact C-N 3.33Å; A169-A171 PolarHBondContact O-N 3.24Å; A171-A173 VanDerWaalsContact C-N 3.29Å; A171-A173 PolarHBondContact O-N 2.98Å; A171-T174 PolarHBondContact O-N 3.45Å; A171-T175 PolarHBondContact O-N 3.02Å; A171-T175 PolarHBondContact O-OG1 3.42Å
172T53.8Low52.4Low68 Ų6879.2 Ų79.242%0.41751%0.511SS..Hα-helixtrans-66.4-31.8175.640.40000112.7M168 A169 A170 S176 Y205M168-T172 PolarHBondContact O-N 3.25Å; M168-T172 VanDerWaalsContact O-N 3.13Å; M168-T172 PolarHBondContact O-OG1 3.1Å; M168-T172 VanDerWaalsContact O-OG1 3.13Å; A169-T172 PolarHBondContact O-OG1 3.14Å; A169-T172 VanDerWaalsContact O-OG1 3.14Å; A170-T172 PolarHBondContact O-N 3.43Å; T172-S176 PolarHBondContact O-N 3Å; T172-S176 PolarHBondContact O-OG 2.92Å; T172-Y205 WeakPolarHBondContact OG1-CE1 3.45Å; T172-Y205 PolarHBondContact OG1-OH 2.93Å
173A50.7Low51.6Low27 Ų2785 Ų8522%0.22353%0.533CS..Hα-helixtrans-70.3-42.8173.700000111.6A169 A170 A171 T175 S176 A177 M206A169-A173 PolarHBondContact O-N 3.49Å; A170-A173 WeakPolarHBondContact O-CB 3.24Å; A170-A173 PolarHBondContact O-N 3.44Å; A170-A173 VanDerWaalsContact O-N 3.17Å; A171-A173 VanDerWaalsContact C-N 3.29Å; A171-A173 PolarHBondContact O-N 2.98Å; A173-T175 PolarHBondContact O-N 3.5Å; A173-S176 PolarHBondContact O-N 3.28Å; A173-A177 PolarHBondContact O-N 3.13Å; A173-M206 HydrophobicContact CB-CE 3.91Å
174T51Low50.6Low88 Ų8886.4 Ų86.454%0.5454%0.54SS..Hα-helixtrans-62.5-43176.4-51.70000111.4A170 A171 S176 A177 V178A170-T174 PolarHBondContact O-N 3.28Å; A170-T174 PolarHBondContact O-OG1 3.45Å; A170-T174 VanDerWaalsContact O-OG1 3.07Å; A171-T174 PolarHBondContact O-N 3.45Å; T174-S176 PolarHBondContact O-N 3.07Å; T174-A177 WeakPolarHBondContact O-CB 3.43Å; T174-A177 PolarHBondContact O-N 3.45Å; T174-V178 HydrophobicContact CG2-CG2 4.46Å; T174-V178 WeakPolarHBondContact O-CG2 3.48Å; T174-V178 PolarHBondContact O-N 3.13Å
175T49.2Very low49.6Very low97 Ų9790.9 Ų90.960%0.59557%0.567SS**Hα-helixtrans-64.9-30.2-177.9-38.50000111.9A171 A173 A177 V179A171-T175 PolarHBondContact O-N 3.02Å; A171-T175 PolarHBondContact O-OG1 3.42Å; A173-T175 PolarHBondContact O-N 3.5Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-V179 WeakPolarHBondContact O-CG2 3.36Å
176S47.4Very low48.7Very low94 Ų9491 Ų9166%0.65758%0.584SS**Hα-helixtrans-77.5-20.2175.1-52.70000112.8T172 A173 T174T172-S176 PolarHBondContact O-N 3Å; T172-S176 PolarHBondContact O-OG 2.92Å; A173-S176 PolarHBondContact O-N 3.28Å; T174-S176 PolarHBondContact O-N 3.07Å
177A43.1Very low48Very low76 Ų7695.1 Ų95.163%0.62861%0.607SS**Hα-helixtrans-88.2-21.9178.400000113.7A173 T174 T175 V179A173-A177 PolarHBondContact O-N 3.13Å; T174-A177 WeakPolarHBondContact O-CB 3.43Å; T174-A177 PolarHBondContact O-N 3.45Å; T175-A177 VanDerWaalsContact C-N 3.34Å; A177-V179 VanDerWaalsContact C-N 3.3Å; A177-V179 PolarHBondContact O-N 3.17Å
178V42.9Very low46.9Very low115 Ų11598 Ų9870%0.69762%0.623SS**THydrogen-bonded Turntrans-81.93.5-177.3-1230000114.9T174T174-V178 HydrophobicContact CG2-CG2 4.46Å; T174-V178 WeakPolarHBondContact O-CG2 3.48Å; T174-V178 PolarHBondContact O-N 3.13Å
179V44.3Very low46.1Very low118 Ų11899.4 Ų99.472%0.71565%0.646SS**THydrogen-bonded Turntrans-97.910.2-174.3-130.50000114.8T175 A177T175-V179 WeakPolarHBondContact O-CG2 3.36Å; A177-V179 VanDerWaalsContact C-N 3.3Å; A177-V179 PolarHBondContact O-N 3.17Å
180V40.8Very low45.3Very low126 Ų126103.2 Ų103.276%0.76468%0.677SS**  trans-130.181.2179-174.90000109.9
181S38.5Very low44.4Very low116 Ų116108.4 Ų108.481%0.81170%0.696SS**  trans-170.788.2161.2-78.90000109.8
182S45.6Very low43.7Very low126 Ų126112 Ų11288%0.88171%0.714SS**  trans-151111.3159-56.50000106.8
183E42.2Very low43Very low181 Ų181113.1 Ų113.185%0.84672%0.724SS**  trans-78.1146.9-178.7-57.7170.6119.100110
184D44Very low42.3Very low152 Ų152119.9 Ų119.981%0.81375%0.751SS**  trans170122.9131-81.4-29.1000113.2
185D43.4Very low41.3Very low164 Ų164122.7 Ų122.788%0.87776%0.763SS**  trans62.6138.7150.3-78.1-55.6000125.1
186A39Very low40.8Very low89 Ų89123.8 Ų123.874%0.73677%0.774SS**  trans-103.5-159-164.700000114.2
187P48Very low40Very low123 Ų123125.5 Ų125.580%0.79979%0.786SS**  -126157-84.837.1-21.4000114
188S41Very low39.4Very low121 Ų121126.1 Ų126.185%0.84679%0.791SS**  trans-177.8132.7141.6-153.40000114.5
189A40.2Very low39Very low93 Ų93125.7 Ų125.777%0.76980%0.8SS**  trans68.2132.1143.800000123.1
190A40.7Very low38.5Very low89 Ų89125.6 Ų125.674%0.73681%0.812SS**  trans93.295.9143.600000119.7
191L36.6Very low38.3Very low160 Ų160123.1 Ų123.184%0.83881%0.812SS**  40.6109.3118.9-73.6157.7000118
192T35.8Very low38.1Very low130 Ų130121 Ų12180%0.79881%0.808SS**  156137.4102.549.70000112.8
193S38.3Very low38Very low91 Ų91121.5 Ų121.564%0.63680%0.801SS**  trans63.8119.1141.5-148.30000122.3
194Q35.5Very low38Very low169 Ų169119.7 Ų119.779%0.7979%0.786SS**  trans82.2130.9135.1-79.9167.3-24.900121.5
195D30.6Very low37.6Very low147 Ų147116.6 Ų116.679%0.78676%0.764SS**  trans62.4109.5152.3-70.5-27000119
196S38.8Very low37.5Very low119 Ų119113.8 Ų113.883%0.83275%0.747SS**  trans-169.497.6133.8-80.50000110.6A198S196-A198 PolarHBondContact O-N 3.31Å
197S31.5Very low37.6Very low130 Ų130115.7 Ų115.791%0.90974%0.74SS**  trans-64.2102.9158.552.80000109.2
198A30.3Very low37.4Very low89 Ų89113.1 Ų113.174%0.73672%0.718SS**  trans-147.9141.5171.500000110.1S196S196-A198 PolarHBondContact O-N 3.31Å
199A33.5Very low37.3Very low106 Ų106111.2 Ų111.288%0.87670%0.695SS**  trans8255.916900000118.5
200A35.3Very low37.2Very low117 Ų117113.8 Ų113.897%0.96769%0.691SS**  trans-97.677.1152.700000109.3
201G35.3Very low37.1Very low74 Ų74116.8 Ų116.876%0.76369%0.692SS**  trans-152.3-1.7-177.700000116.9
202G34.9Very low37.3Very low72 Ų72113 Ų11374%0.74268%0.678SS**SBendtrans-97.6-13.4-169.900000116.8
203D43.5Very low37.4Very low135 Ų135112.4 Ų112.472%0.72266%0.662SS**SBendtrans-100.2-3.6-160-148.613.5000114.9Y205D203-Y205 VanDerWaalsContact C-N 3.31Å; D203-Y205 PolarHBondContact O-N 2.95Å
204W41.9Very low37.2Very low143 Ų143114.1 Ų114.154%0.54267%0.671SS.*Hα-helixtrans-73.9-24.6-174.7-169.376.2000113.2P71P71-W204 HydrophobicContact CB-CH2 3.41Å; P71-W204 VanDerWaalsContact CB-CH2 3.41Å; P71-W204 HydrophobicContact CB-CZ2 3.27Å; P71-W204 HydrophobicContact CG-CH2 3.14Å; P71-W204 HydrophobicContact CG-CZ2 3.43Å; P71-W204 VanDerWaalsContact CG-CZ2 3.43Å; P71-W204 HydrophobicContact CG-CZ3 4.15Å
205Y36.7Very low37.2Very low87 Ų87116 Ų11634%0.34167%0.673SS.*Hα-helixtrans-80.4-32.8-169.9-160.5-103000114.1A169 T172 D203A169-Y205 VanDerWaalsContact CA-CE1 3.42Å; A169-Y205 WeakPolarHBondContact CA-OH 3.47Å; A169-Y205 HydrophobicContact CB-CE1 3.48Å; A169-Y205 VanDerWaalsContact CB-CE1 3.48Å; A169-Y205 WeakPolarHBondContact CB-OH 2.94Å; A169-Y205 PolarHBondContact N-OH 3.38Å; A169-Y205 WeakPolarHBondContact O-CE1 3.48Å; T172-Y205 WeakPolarHBondContact OG1-CE1 3.45Å; T172-Y205 PolarHBondContact OG1-OH 2.93Å; D203-Y205 VanDerWaalsContact C-N 3.31Å; D203-Y205 PolarHBondContact O-N 2.95Å
206M39.5Very low37.5Very low106 Ų106112.7 Ų112.752%0.52266%0.66SS.*Hα-helixtrans-75.5-36177.6-73.7-64.9-154.400111.8A173 Q208 Q209A173-M206 HydrophobicContact CB-CE 3.91Å; M206-Q208 PolarHBondContact O-N 3.06Å; M206-Q209 PolarHBondContact O-N 3.1Å
207H42.4Very low37.2Very low128 Ų128112 Ų11259%0.59366%0.655SS**Hα-helixtrans-65.5-23.8-177.9-161.671.1000113.4
208Q42.7Very low37.2Very low70 Ų70114.3 Ų114.333%0.32765%0.651SS.*Hα-helixtrans-79.5-22.4-179.3-161.9166.328.600113.7M206 C212M206-Q208 PolarHBondContact O-N 3.06Å; Q208-C212 PolarHBondContact O-SG 2.99Å
209Q38.9Very low37.3Very low80 Ų80117 Ų11737%0.37465%0.652SS.*Hα-helixtrans-71.1-35.6-178.4-65.5-173.525.400112.2M206 Y213M206-Q209 PolarHBondContact O-N 3.1Å; Q209-Y213 WeakPolarHBondContact O-CD2 3.49Å
210Q39.3Very low37.1Very low147 Ų147117 Ų11769%0.68765%0.646SS**Hα-helixtrans-76.4-26.9179.8-94.6158.4-14.100114
211M37.3Very low36.8Very low153 Ų153120.3 Ų120.375%0.75464%0.639SS**Hα-helixtrans-89.6-9.8-176.3-62.1-64.2-81.900113.9
212C42.2Very low36.7Very low81 Ų81123.4 Ų123.455%0.54764%0.643SS.*SBendtrans-98.2-4.7-178.2-740000115.2Q208Q208-C212 PolarHBondContact O-SG 2.99Å
213Y36.6Very low36.6Very low116 Ų116124.6 Ų124.646%0.45565%0.646SS.*  trans-135.780.7-172.9-68.2-87.8000114.5Q209 Y215Q209-Y213 WeakPolarHBondContact O-CD2 3.49Å; Y213-Y215 VanDerWaalsContact C-N 3.34Å
214P34.9Very low36.1Very low127 Ų127123.3 Ų123.383%0.82565%0.654SS**SBendtrans-95.422.516135.6-29000112.7
215Y35.4Very low35.5Very low210 Ų210119.3 Ų119.382%0.82466%0.657SS**  trans-145.561.8-179.8-146.9-91.2000112.1Y213Y213-Y215 VanDerWaalsContact C-N 3.34Å
216C36.5Very low35.5Very low76 Ų76124.6 Ų124.651%0.51468%0.684SS.*  trans-146.465.8165.8-92.90000108.7
217S33.2Very low35.1Very low104 Ų104126.6 Ų126.673%0.72770%0.697SS**  trans-8412.3168.844.80000113
218E31.5Very low34.9Very low179 Ų179129.4 Ų129.484%0.83671%0.711SS**SBendtrans-120.26.2-177.2-70.2-160.1133.400114.9
219L31Very low34.4Very low145 Ų145132.3 Ų132.376%0.75973%0.733SS**  trans-99.624.4175.4-84.2166.4000113.6
220S31.1Very low34.7Very low107 Ų107135.5 Ų135.575%0.74876%0.758SS**SBendtrans-97.68.9178.748.70000114.6
221F28.9Very low34.4Very low186 Ų186132.1 Ų132.182%0.81676%0.762SS**SBendtrans-115.12.8-172.6-154.8-101.7000116.7
222V33.3Very low34.6Very low140 Ų140132.1 Ų132.185%0.84877%0.765SS**SBendtrans-118.4-3.1-175.6-173.20000114
223A31.3Very low34.4Very low97 Ų97132.8 Ų132.880%0.80276%0.763SS**  trans-105.424.518000000114.1G225A223-G225 PolarHBondContact O-N 3.33Å; A223-G225 VanDerWaalsContact O-N 3.14Å
224A32.7Very low34.9Very low107 Ų107131 Ų13188%0.88477%0.772SS**  trans-85.739.8179.200000113.2
225G29.7Very low35.5Very low60 Ų60129.8 Ų129.862%0.61976%0.762SS**  trans-160.966.2-17600000111.4A223A223-G225 PolarHBondContact O-N 3.33Å; A223-G225 VanDerWaalsContact O-N 3.14Å
226H38.1Very low36.2Very low197 Ų197123 Ų12391%0.91274%0.743SS**  trans-173.2125.2138.2-111.2-115.9000108.4
227D30.1Very low36.7Very low148 Ų148126.2 Ų126.279%0.79175%0.752SS**  trans-68.3122.9178.6-17131.8000109.9
228E37.7Very low37.2Very low188 Ų188128.3 Ų128.388%0.87975%0.75SS**  trans167134.8136.5-93.9-170.713300111.6
229T33.1Very low37.5Very low130 Ų130127.5 Ų127.580%0.79874%0.744SS**  trans-90130.3-166.149.80000113.2
230V44.6Very low38Very low148 Ų148127 Ų12790%0.89774%0.742SS**  trans-144.7104146.4-162.30000108.7
231G32.5Very low38.5Very low75 Ų75127 Ų12777%0.77374%0.741SS**PPolyproline II helixtrans-80.6127.3179.200000111.8
232L42.3Very low39Very low154 Ų154122.4 Ų122.481%0.80673%0.732SS**PPolyproline II helixtrans-83123.9163.7-88.3147.4000108.9T236L232-T236 HydrophobicContact CD2-CG2 4.4Å
233D38.1Very low39.4Very low94 Ų94123.9 Ų123.950%0.50373%0.73SS.*PPolyproline II helixtrans-76.3151.7-172.661.5-28.8000113.3V235 T236D233-V235 PolarHBondContact O-N 3.44Å; D233-T236 PolarHBondContact O-N 2.74Å; D233-T236 PolarHBondContact OD1-OG1 3.25Å; D233-T236 VanDerWaalsContact OD1-OG1 3.1Å
234A46.8Very low39.3Very low80 Ų80128.6 Ų128.666%0.66173%0.732SS**Hα-helixtrans-59.3-12.6-174.500000115
235V47.7Very low39.6Very low101 Ų101130 Ų13061%0.61273%0.73SS**Hα-helixtrans-75.1-31.1177.9-176.70000111.3D233 M237 Q238D233-V235 PolarHBondContact O-N 3.44Å; V235-M237 VanDerWaalsContact C-N 3.3Å; V235-M237 PolarHBondContact O-N 3.32Å; V235-Q238 PolarHBondContact O-N 3.48Å
236T50.7Low39.5Very low67 Ų67131.1 Ų131.141%0.41173%0.734SS.*Hα-helixtrans-69.9-29176.3-52.90000111.9L232 D233L232-T236 HydrophobicContact CD2-CG2 4.4Å; D233-T236 PolarHBondContact O-N 2.74Å; D233-T236 PolarHBondContact OD1-OG1 3.25Å; D233-T236 VanDerWaalsContact OD1-OG1 3.1Å
237M45.7Very low39Very low144 Ų144127.3 Ų127.371%0.70973%0.729SS**Hα-helixtrans-74.5-21.9176.5-77.1-77.8-17500113.7V235V235-M237 VanDerWaalsContact C-N 3.3Å; V235-M237 PolarHBondContact O-N 3.32Å
238Q43.5Very low38.8Very low147 Ų147129.5 Ų129.569%0.68773%0.732SS**Hα-helixtrans-88-22.1179.6-81.1174.2-22.500113.6V235V235-Q238 PolarHBondContact O-N 3.48Å
239F38.7Very low38.3Very low162 Ų162131.1 Ų131.171%0.71173%0.73SS**Hα-helixtrans-74.8-31.4179.4-150.4-97.5000112.9S241F239-S241 VanDerWaalsContact C-N 3.26Å; F239-S241 PolarHBondContact O-N 3.17Å
240L41.3Very low38.2Very low136 Ų136130.9 Ų130.971%0.71273%0.729SS**THydrogen-bonded Turntrans-76.1-10.1179.8-63.7175.3000114S242L240-S242 VanDerWaalsContact C-N 3.34Å
241S41.4Very low37.5Very low105 Ų105131.4 Ų131.473%0.73473%0.727SS**THydrogen-bonded Turntrans-83.2-7.1-179.9-161.80000113.7F239F239-S241 VanDerWaalsContact C-N 3.26Å; F239-S241 PolarHBondContact O-N 3.17Å
242S40.2Very low37.2Very low90 Ų90131 Ų13163%0.62972%0.723SS**SBendtrans-113.10.4-161-51.60000116.5L240L240-S242 VanDerWaalsContact C-N 3.34Å
243H41.1Very low36.7Very low171 Ų171130.4 Ų130.479%0.79273%0.725SS**  trans-120.569-179.3-89.6-88.5000112.5
244F29.1Very low36.3Very low196 Ų196132.1 Ų132.186%0.8673%0.734SS**  trans-124.590166.7-162-94.3000109.7
245T39.5Very low35.6Very low136 Ų136133.8 Ų133.883%0.83473%0.732SS**  trans-128119.1161.548.50000109.2
246A27.1Very low34.9Very low84 Ų84136.3 Ų136.369%0.69474%0.735SS**  trans-56.4140.9179.300000111.8
247S28.3Very low34.4Very low118 Ų118139 Ų13983%0.82574%0.738SS**  trans169.385.6147.3-76.20000111.4
248F26.1Very low33.8Very low194 Ų194138.3 Ų138.385%0.85173%0.733SS**  trans-165.154.6159.8-145.6-104.5000115.9
249W27.3Very low33.5Very low222 Ų222136.6 Ų136.684%0.84174%0.737SS**  trans-141.390.1163.3-71.2101.5000110.9
250T30Very low33.2Very low125 Ų125137.9 Ų137.977%0.76774%0.742SS**  trans-135.5142.6154.650.40000109.2
251N29.3Very low33Very low159 Ų159136.8 Ų136.885%0.8574%0.743SS**  trans10194.5166.4-49.3-30.9000117.4
252G26.4Very low32.9Very low67 Ų67139.3 Ų139.369%0.69175%0.747SS**  83.697.6113.400000118.1
253V32.4Very low32.8Very low141 Ų141141.9 Ų141.986%0.85575%0.754SS**  -155.8122.3123.3-167.40000108
254D29.8Very low32.4Very low130 Ų130148 Ų14870%0.69577%0.772SS**  trans-77.5150.3-173.2-62.8-69.2000115.5
255D31.1Very low32.6Very low114 Ų114145.6 Ų145.661%0.6177%0.768SS**  trans22.299.1144.9-59-26.3000119
256F34.4Very low32.2Very low155 Ų155146.1 Ų146.168%0.6876%0.764SS**  trans-125-4.6167.4-169.9-103.3000114.2
257W40.2Very low32.5Very low122 Ų122149.5 Ų149.546%0.46277%0.768SS.*  trans-108.310.1-170.6-63.3118.9000115.8L63 S259L63-W257 HydrophobicContact CD1-CZ2 4.4Å; W257-S259 VanDerWaalsContact C-N 3.29Å; W257-S259 PolarHBondContact O-N 3.21Å
258E32.4Very low32.8Very low130 Ų130151.4 Ų151.461%0.60777%0.765SS**  trans-74.883.5172.5-65.8-164.7151.200110.5K96K96-E258 IonicContact NZ-OE1 2.77Å; K96-E258 PolarHBondContact NZ-OE1 2.96Å
259S37.4Very low33.2Very low112 Ų112148.7 Ų148.778%0.78376%0.759SS**PPolyproline II helixtrans-94.1133.716046.60000108.9W257W257-S259 VanDerWaalsContact C-N 3.29Å; W257-S259 PolarHBondContact O-N 3.21Å
260K33.3Very low33.6Very low188 Ų188143.8 Ų143.882%0.81775%0.754SS**PPolyproline II helixtrans-53.9154.5-166.1-64.4-168.7175.4-1730114.2I262K260-I262 PolarHBondContact O-N 3.35Å
261P36Very low33.8Very low113 Ų113145.1 Ų145.173%0.73475%0.753SS**PPolyproline II helixtrans-57.5131.2166.325.1-31.6000109.7D263P261-D263 PolarHBondContact O-N 3.14Å
262I38.9Very low34.2Very low159 Ų159144.1 Ų144.182%0.81575%0.745SS**  trans-80.3105.8163-59.6172.4000104.9K260K260-I262 PolarHBondContact O-N 3.35Å
263D39.8Very low34.8Very low144 Ų144150.5 Ų150.577%0.7775%0.75SS**  trans-72.8124159.9-85.5-39.5000107.5P261P261-D263 PolarHBondContact O-N 3.14Å
264Y32.2Very low35Very low298 Ų298151.4 Ų151.4100%1.16974%0.74SS**  trans26.80171.3-80.9-87.2000120.1

Retrieved 264 of 264 residues in 176.5 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).