A0A096LU20_POEFO Loading...

Popeye domain cAMP effector 3

AlphaFold DB , UniProt , Accession A0A096LU20, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 289 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low57.3Low239 Ų239133.7 Ų133.7100%1.17778%0.784SS**  0108.10-76169.3170.200107.3
2N42.5Very low57.7Low154 Ų154136.3 Ų136.382%0.82478%0.779SS**  trans-98.698.1-179.1-148.83.1000106.9T4N2-T4 PolarHBondContact O-N 3.07Å
3L51.7Low58.5Low151 Ų151132.8 Ų132.879%0.79177%0.765SS**  trans-89.878.6178.6-79161.7000108.7V5L3-V5 PolarHBondContact O-N 2.86Å
4T54.2Low59.3Low122 Ų122133.4 Ų133.475%0.74876%0.763SS**  trans-75.283.8162.334.90000108.6N2 K6N2-T4 PolarHBondContact O-N 3.07Å; T4-K6 PolarHBondContact O-N 3.11Å; T4-K6 VanDerWaalsContact O-N 3.09Å
5V60.2Low60.4Low119 Ų119129.5 Ų129.572%0.72175%0.745SS**  trans-65.9105.7166.7178.10000106.9L3L3-V5 PolarHBondContact O-N 2.86Å
6K58.2Low61Low192 Ų192125.8 Ų125.884%0.83574%0.744SS**PPolyproline II helixtrans-60.1124.2166.4-90.1-179.2173.21790107.4T4 A8T4-K6 PolarHBondContact O-N 3.11Å; T4-K6 VanDerWaalsContact O-N 3.09Å; K6-A8 PolarHBondContact O-N 3.38Å
7P64.9Low61.7Low119 Ų119129.6 Ų129.677%0.77375%0.753SS**PPolyproline II helixtrans-59.6134.1175.823-30.3000109
8A66.6Low62.5Low86 Ų86135.7 Ų135.771%0.71176%0.762SS**PPolyproline II helixtrans-56.7136.9174.800000109K6K6-A8 PolarHBondContact O-N 3.38Å
9P64.4Low63.1Low117 Ų117136 Ų13676%0.7675%0.754SS**PPolyproline II helixtrans-57.3134.9176.423.2-30.9000108.7A11P9-A11 PolarHBondContact O-N 3.06Å
10P62.5Low63.6Low76 Ų76138.8 Ų138.849%0.49476%0.761SS.*PPolyproline II helixtrans-57.6139.2-179.526-35.6000109.7F12 L14P10-F12 PolarHBondContact O-N 3.35Å; P10-F12 VanDerWaalsContact O-N 3.11Å; P10-L14 HydrophobicContact CB-CD1 3.97Å; P10-L14 HydrophobicContact CB-CG 3.96Å; P10-L14 HydrophobicContact CG-CD1 3.63Å; P10-L14 HydrophobicContact CG-CG 3.73Å
11A65.4Low64.2Low96 Ų96134.9 Ų134.979%0.79375%0.747SS**SBendtrans-66.5-9.5179.900000113.6P9P9-A11 PolarHBondContact O-N 3.06Å
12F61.8Low65.9Low165 Ų165128.2 Ų128.272%0.72473%0.73SS**SBendtrans-129.9144.7178.4-59-79.7000109.3P10 L14P10-F12 PolarHBondContact O-N 3.35Å; P10-F12 VanDerWaalsContact O-N 3.11Å; F12-L14 PolarHBondContact O-N 3.02Å; F12-L14 VanDerWaalsContact O-N 3.1Å
13P67.7Low67.9Low91 Ų91124 Ų12459%0.59171%0.705SS**  trans-59.9117.8176.924.1-31.4000109.5C15 P69P13-C15 PolarHBondContact O-N 2.87Å; P13-P69 HydrophobicContact CG-CB 4.21Å
14L69.9Low69.6Low141 Ų141118.6 Ų118.674%0.73869%0.686SS**  trans-80.1110.6171.3-70.1178000107.9P10 F12 G16P10-L14 HydrophobicContact CB-CD1 3.97Å; P10-L14 HydrophobicContact CB-CG 3.96Å; P10-L14 HydrophobicContact CG-CD1 3.63Å; P10-L14 HydrophobicContact CG-CG 3.73Å; F12-L14 PolarHBondContact O-N 3.02Å; F12-L14 VanDerWaalsContact O-N 3.1Å; L14-G16 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 2.85Å
15C75Confident71.4Confident74 Ų74117.6 Ų117.650%0.568%0.683SS.*  trans-77.287.3176.1-520000108.5P13 C70P13-C15 PolarHBondContact O-N 2.87Å; C15-C70 HydrophobicContact CB-CB 3.71Å; C15-C70 WeakPolarHBondContact CB-SG 3.33Å; C15-C70 WeakPolarHBondContact SG-CA 3.41Å; C15-C70 WeakPolarHBondContact SG-CB 3.44Å; C15-C70 CovalentContact SG-SG 2.02Å; C15-C70 PolarHBondContact SG-SG 3.04Å
16G70.1Confident72.8Confident71 Ų71115.9 Ų115.973%0.73267%0.67SS**  trans-89.6-23.7-17100000115L14L14-G16 VanDerWaalsContact C-N 3.34Å; L14-G16 PolarHBondContact O-N 2.85Å
17E74.3Confident74.4Confident190 Ų190109.7 Ų109.789%0.88864%0.643SS**SBendtrans-142.2151.2-172.6-65.5-174.6161.600111.8
18W75.1Confident75.9Confident240 Ų240109 Ų10991%0.90963%0.629SS**  trans-71.1149.4172.6-68.293.8000110.4E20W18-E20 PolarHBondContact O-N 3.42Å
19K74Confident77.3Confident141 Ų141108.7 Ų108.761%0.61362%0.616SS**  trans-75.1123.4179.1-164.3175.9-176.8175.20110A21K19-A21 VanDerWaalsContact C-N 3.26Å; K19-A21 HydrophobicContact CG-CB 4.23Å; K19-A21 PolarHBondContact O-N 3.43Å
20E73.3Confident78.8Confident192 Ų192103.1 Ų103.190%0.89758%0.579SS**  trans-75-14.4178.1-66.7-66.1149.600113.5W18W18-E20 PolarHBondContact O-N 3.42Å
21A76.1Confident80.3Confident57 Ų57103 Ų10347%0.47157%0.574SS.*SBendtrans-83.7140.8-179.400000111.6K19K19-A21 VanDerWaalsContact C-N 3.26Å; K19-A21 HydrophobicContact CG-CB 4.23Å; K19-A21 PolarHBondContact O-N 3.43Å
22A75.7Confident81.8Confident98 Ų98103.1 Ų103.181%0.8156%0.561SS**PPolyproline II helixtrans-57.3146.8173.300000111.7
23E84.6Confident83.5Confident67 Ų6796.4 Ų96.431%0.31353%0.532SS..PPolyproline II helixtrans-66.4150.5-179.4-69.5-60.1165.600112.9F27 W64E23-F27 HydrophobicContact CB-CB 3.88Å; E23-F27 HydrophobicContact CB-CD1 3.53Å; E23-F27 HydrophobicContact CB-CE1 4.22Å; E23-F27 HydrophobicContact CB-CG 3.76Å; E23-F27 HydrophobicContact CG-CD1 3.88Å; E23-F27 HydrophobicContact CG-CD2 4.46Å; E23-F27 HydrophobicContact CG-CE1 4.13Å; E23-F27 HydrophobicContact CG-CG 4.06Å; E23-W64 VanDerWaalsContact CD-CZ2 3.46Å; E23-W64 VanDerWaalsContact OE2-CE2 3.25Å; E23-W64 WeakPolarHBondContact OE2-CZ2 3.42Å; E23-W64 PolarHBondContact OE2-NE1 3.21Å
24G87.2Confident84.9Confident37 Ų3793.1 Ų93.138%0.38151%0.509SS..PPolyproline II helixtrans-68.1164.2-178.200000113.4L26 F27 H28G24-L26 PolarHBondContact O-N 3.02Å; G24-F27 WeakPolarHBondContact O-CB 3.3Å; G24-F27 PolarHBondContact O-N 2.87Å; G24-H28 PolarHBondContact O-N 2.89Å
25S91.8Very high86.2Confident100 Ų10092.8 Ų92.870%0.69950%0.502SS*.Hα-helixtrans-56.7-33.1176.955.20000113.6F27 H28 L29S25-F27 VanDerWaalsContact C-N 3.33Å; S25-F27 PolarHBondContact O-N 2.89Å; S25-H28 PolarHBondContact O-N 3.42Å; S25-L29 WeakPolarHBondContact O-CB 3.44Å; S25-L29 PolarHBondContact O-N 3.05Å
26L91.2Very high87.2Confident84 Ų8491.9 Ų91.944%0.4449%0.492SS..Hα-helixtrans-61.9-38175.8-76.5173.5000112.8G24 A30 W64G24-L26 PolarHBondContact O-N 3.02Å; L26-A30 WeakPolarHBondContact O-CB 3.46Å; L26-A30 PolarHBondContact O-N 3.18Å; L26-W64 HydrophobicContact CB-CB 4.39Å
27F91.8Very high88.4Confident62 Ų6288.5 Ų88.527%0.27246%0.458SS..Hα-helixtrans-65.2-46.4176.8177.8-95.6000110.9E23 G24 S25 A30 N31 W64E23-F27 HydrophobicContact CB-CB 3.88Å; E23-F27 HydrophobicContact CB-CD1 3.53Å; E23-F27 HydrophobicContact CB-CE1 4.22Å; E23-F27 HydrophobicContact CB-CG 3.76Å; E23-F27 HydrophobicContact CG-CD1 3.88Å; E23-F27 HydrophobicContact CG-CD2 4.46Å; E23-F27 HydrophobicContact CG-CE1 4.13Å; E23-F27 HydrophobicContact CG-CG 4.06Å; G24-F27 WeakPolarHBondContact O-CB 3.3Å; G24-F27 PolarHBondContact O-N 2.87Å; S25-F27 VanDerWaalsContact C-N 3.33Å; S25-F27 PolarHBondContact O-N 2.89Å; F27-A30 PolarHBondContact O-N 3.04Å; F27-N31 VanDerWaalsContact CE1-ND2 3.33Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.45Å; F27-N31 WeakPolarHBondContact CZ-ND2 3.48Å; F27-N31 PolarHBondContact O-N 2.78Å; F27-N31 VanDerWaalsContact O-N 3.1Å; F27-N31 PolarHBondContact O-ND2 3.45Å; F27-W64 HydrophobicContact CB-CD2 4.33Å; F27-W64 HydrophobicContact CB-CG 4.13Å; F27-W64 AromaticContact CD2-CD2 3.85Å; F27-W64 HydrophobicContact CD2-CD2 3.85Å; F27-W64 AromaticContact CD2-CE2 3.75Å; F27-W64 HydrophobicContact CD2-CE3 4.06Å; F27-W64 HydrophobicContact CD2-CG 4.46Å; F27-W64 HydrophobicContact CD2-CH2 4.14Å; F27-W64 AromaticContact CD2-CZ2 3.92Å; F27-W64 HydrophobicContact CD2-CZ2 3.92Å; F27-W64 HydrophobicContact CD2-CZ3 4.19Å; F27-W64 HydrophobicContact CE2-CH2 4.26Å; F27-W64 HydrophobicContact CE2-CZ2 4.38Å; F27-W64 HydrophobicContact CE2-CZ3 4.4Å
28H94.9Very high89.4Confident103 Ų10386.2 Ų86.248%0.47745%0.445SS..Hα-helixtrans-64.5-42.2177.4-69.5-63000112.1G24 S25 A30 N31 I32G24-H28 PolarHBondContact O-N 2.89Å; S25-H28 PolarHBondContact O-N 3.42Å; H28-A30 VanDerWaalsContact C-N 3.34Å; H28-A30 PolarHBondContact O-N 2.84Å; H28-N31 PolarHBondContact O-N 3.4Å; H28-I32 VanDerWaalsContact O-CG1 3.3Å; H28-I32 WeakPolarHBondContact O-CG1 3.49Å; H28-I32 PolarHBondContact O-N 2.93Å
29L95.6Very high90.3Very high81 Ų8180.3 Ų80.342%0.42443%0.429SS..Hα-helixtrans-59.9-44.5175.5179.761.8000111.5S25 N31 I32 L33S25-L29 WeakPolarHBondContact O-CB 3.44Å; S25-L29 PolarHBondContact O-N 3.05Å; L29-N31 PolarHBondContact O-N 3.35Å; L29-I32 PolarHBondContact O-N 3.1Å; L29-L33 HydrophobicContact CD1-CD1 4.23Å; L29-L33 HydrophobicContact CD1-CG 4.3Å; L29-L33 HydrophobicContact CG-CD1 4.06Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 2.85Å
30A95.9Very high91.1Very high0 Ų074.8 Ų74.80%041%0.412CS..Hα-helixtrans-57.9-48.5177.200000111.4L26 F27 H28 I32 L33 L34 C60 S61L26-A30 WeakPolarHBondContact O-CB 3.46Å; L26-A30 PolarHBondContact O-N 3.18Å; F27-A30 PolarHBondContact O-N 3.04Å; H28-A30 VanDerWaalsContact C-N 3.34Å; H28-A30 PolarHBondContact O-N 2.84Å; A30-I32 PolarHBondContact O-N 2.84Å; A30-L33 PolarHBondContact O-N 2.95Å; A30-L34 VanDerWaalsContact O-CG 3.29Å; A30-L34 WeakPolarHBondContact O-CG 3.17Å; A30-L34 PolarHBondContact O-N 2.84Å; A30-C60 HydrophobicContact CB-CB 3.67Å; A30-S61 WeakPolarHBondContact CB-OG 3.33Å
31N95.4Very high91.7Very high73 Ų7368.2 Ų68.239%0.3940%0.396SS..Hα-helixtrans-64.1-38.7179.1-77.3-77.4000112.9F27 H28 L29 L34 F35F27-N31 VanDerWaalsContact CE1-ND2 3.33Å; F27-N31 WeakPolarHBondContact CE1-ND2 3.45Å; F27-N31 WeakPolarHBondContact CZ-ND2 3.48Å; F27-N31 PolarHBondContact O-N 2.78Å; F27-N31 VanDerWaalsContact O-N 3.1Å; F27-N31 PolarHBondContact O-ND2 3.45Å; H28-N31 PolarHBondContact O-N 3.4Å; L29-N31 PolarHBondContact O-N 3.35Å; N31-L34 PolarHBondContact O-N 3.08Å; N31-F35 WeakPolarHBondContact O-CB 3.47Å; N31-F35 PolarHBondContact O-N 3.45Å
32I97.3Very high92Very high98 Ų9871.4 Ų71.450%0.50342%0.415SS..Hα-helixtrans-61.8-45.4174.4-69.5165.1000110.5H28 L29 A30 F35 L36H28-I32 VanDerWaalsContact O-CG1 3.3Å; H28-I32 WeakPolarHBondContact O-CG1 3.49Å; H28-I32 PolarHBondContact O-N 2.93Å; L29-I32 PolarHBondContact O-N 3.1Å; A30-I32 PolarHBondContact O-N 2.84Å; I32-F35 PolarHBondContact O-N 2.91Å; I32-L36 HydrophobicContact CG2-CD1 4.08Å; I32-L36 HydrophobicContact CG2-CG 4.48Å; I32-L36 WeakPolarHBondContact O-CB 3.28Å; I32-L36 VanDerWaalsContact O-CG 3.32Å; I32-L36 WeakPolarHBondContact O-CG 3.41Å; I32-L36 PolarHBondContact O-N 2.9Å
33L97.2Very high92.3Very high24 Ų2468.6 Ų68.613%0.12640%0.395CS..Hα-helixtrans-66-39.7179-70.6170000112.3L29 A30 L36 G37 F53 V56L29-L33 HydrophobicContact CD1-CD1 4.23Å; L29-L33 HydrophobicContact CD1-CG 4.3Å; L29-L33 HydrophobicContact CG-CD1 4.06Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 2.85Å; A30-L33 PolarHBondContact O-N 2.95Å; L33-L36 PolarHBondContact O-N 3.49Å; L33-G37 PolarHBondContact O-N 3.45Å; L33-F53 HydrophobicContact CD2-CD1 3.77Å; L33-F53 HydrophobicContact CD2-CE1 3.95Å; L33-V56 HydrophobicContact CD1-CB 4.25Å; L33-V56 HydrophobicContact CD1-CG1 3.68Å
34L96.6Very high92.2Very high22 Ų2268.2 Ų68.212%0.11539%0.393CS..Hα-helixtrans-63.2-45.9174.5-69.8174.7000111A30 N31 L36 G37 F38 L54 F58A30-L34 VanDerWaalsContact O-CG 3.29Å; A30-L34 WeakPolarHBondContact O-CG 3.17Å; A30-L34 PolarHBondContact O-N 2.84Å; N31-L34 PolarHBondContact O-N 3.08Å; L34-L36 PolarHBondContact O-N 2.94Å; L34-G37 PolarHBondContact O-N 3.33Å; L34-G37 VanDerWaalsContact O-N 3.17Å; L34-F38 HydrophobicContact CB-CE2 4.47Å; L34-F38 WeakPolarHBondContact O-CD2 3.44Å; L34-F38 PolarHBondContact O-N 3.09Å; L34-L54 HydrophobicContact CD2-CD2 3.73Å; L34-F58 HydrophobicContact CD1-CE1 4.33Å; L34-F58 HydrophobicContact CD2-CD1 3.93Å; L34-F58 HydrophobicContact CD2-CD2 4.07Å; L34-F58 HydrophobicContact CD2-CE1 3.75Å; L34-F58 HydrophobicContact CD2-CE2 3.9Å; L34-F58 HydrophobicContact CD2-CG 4.07Å; L34-F58 HydrophobicContact CD2-CZ 3.73Å
35F97.3Very high92.1Very high134 Ų13474.2 Ų74.259%0.58841%0.405SS*.Hα-helixtrans-57.7-50175.3177.3-99.7000111.4N31 I32 G37 F38 M39N31-F35 WeakPolarHBondContact O-CB 3.47Å; N31-F35 PolarHBondContact O-N 3.45Å; I32-F35 PolarHBondContact O-N 2.91Å; F35-G37 VanDerWaalsContact C-N 3.29Å; F35-G37 PolarHBondContact O-N 2.76Å; F35-F38 PolarHBondContact O-N 3.41Å; F35-M39 HydrophobicContact CD1-SD 3.8Å; F35-M39 HydrophobicContact CE1-CG 4.21Å; F35-M39 HydrophobicContact CE1-SD 3.26Å; F35-M39 WeakPolarHBondContact CE1-SD 3.49Å; F35-M39 HydrophobicContact CZ-CG 4.37Å; F35-M39 HydrophobicContact CZ-SD 3.81Å; F35-M39 WeakPolarHBondContact O-CG 3.37Å; F35-M39 PolarHBondContact O-N 3.43Å
36L96.4Very high92.1Very high56 Ų5670 Ų7029%0.29338%0.377SS..Hα-helixtrans-58.7-41.1175.4-72.6174000111.7I32 L33 L34 F38 M39 Y49 F53I32-L36 HydrophobicContact CG2-CD1 4.08Å; I32-L36 HydrophobicContact CG2-CG 4.48Å; I32-L36 WeakPolarHBondContact O-CB 3.28Å; I32-L36 VanDerWaalsContact O-CG 3.32Å; I32-L36 WeakPolarHBondContact O-CG 3.41Å; I32-L36 PolarHBondContact O-N 2.9Å; L33-L36 PolarHBondContact O-N 3.49Å; L34-L36 PolarHBondContact O-N 2.94Å; L36-F38 PolarHBondContact O-N 2.94Å; L36-M39 HydrophobicContact CD2-SD 4.24Å; L36-M39 WeakPolarHBondContact O-CB 3.43Å; L36-M39 PolarHBondContact O-N 3.33Å; L36-M39 VanDerWaalsContact O-N 3.13Å; L36-Y49 VanDerWaalsContact O-CE1 3.23Å; L36-Y49 WeakPolarHBondContact O-CE1 3.4Å; L36-Y49 PolarHBondContact O-OH 2.96Å; L36-F53 HydrophobicContact CB-CD1 3.81Å; L36-F53 HydrophobicContact CB-CE1 4.06Å; L36-F53 HydrophobicContact CB-CG 4.39Å; L36-F53 HydrophobicContact CD1-CD1 4.29Å; L36-F53 HydrophobicContact CD1-CE1 3.84Å
37G95.3Very high92.1Very high0 Ų070.4 Ų70.40%038%0.377CS..Hα-helixtrans-55-51.6174.900000112L33 L34 F35 M39 G40 L50 F53L33-G37 PolarHBondContact O-N 3.45Å; L34-G37 PolarHBondContact O-N 3.33Å; L34-G37 VanDerWaalsContact O-N 3.17Å; F35-G37 VanDerWaalsContact C-N 3.29Å; F35-G37 PolarHBondContact O-N 2.76Å; G37-M39 PolarHBondContact O-N 2.98Å; G37-G40 PolarHBondContact O-N 3.43Å; G37-L50 WeakPolarHBondContact O-CD1 3.34Å; G37-F53 VanDerWaalsContact CA-CB 3.49Å
38F94.3Very high92.1Very high142 Ų14269 Ų6962%0.62337%0.372SS*.Hα-helixtrans-67.9-12.9179.9-66.9-60.2000114.6L34 F35 L36 G40 L50 L54L34-F38 HydrophobicContact CB-CE2 4.47Å; L34-F38 WeakPolarHBondContact O-CD2 3.44Å; L34-F38 PolarHBondContact O-N 3.09Å; F35-F38 PolarHBondContact O-N 3.41Å; L36-F38 PolarHBondContact O-N 2.94Å; F38-G40 PolarHBondContact O-N 3.15Å; F38-L50 HydrophobicContact CD1-CD1 4.31Å; F38-L54 HydrophobicContact CD1-CD2 4.48Å; F38-L54 HydrophobicContact CD2-CD2 4.35Å; F38-L54 HydrophobicContact CE1-CD1 4.34Å; F38-L54 HydrophobicContact CE1-CD2 4.09Å; F38-L54 HydrophobicContact CE2-CD2 3.94Å; F38-L54 HydrophobicContact CZ-CD2 3.79Å
39M95Very high92.1Very high115 Ų11568.1 Ų68.157%0.56737%0.365SS*.THydrogen-bonded Turntrans-78.80.6169.7-65178.470.600113.5F35 L36 G37 G41F35-M39 HydrophobicContact CD1-SD 3.8Å; F35-M39 HydrophobicContact CE1-CG 4.21Å; F35-M39 HydrophobicContact CE1-SD 3.26Å; F35-M39 WeakPolarHBondContact CE1-SD 3.49Å; F35-M39 HydrophobicContact CZ-CG 4.37Å; F35-M39 HydrophobicContact CZ-SD 3.81Å; F35-M39 WeakPolarHBondContact O-CG 3.37Å; F35-M39 PolarHBondContact O-N 3.43Å; L36-M39 HydrophobicContact CD2-SD 4.24Å; L36-M39 WeakPolarHBondContact O-CB 3.43Å; L36-M39 PolarHBondContact O-N 3.33Å; L36-M39 VanDerWaalsContact O-N 3.13Å; G37-M39 PolarHBondContact O-N 2.98Å; M39-G41 PolarHBondContact O-N 3.42Å
40G90Very high92.1Very high25 Ų2566.2 Ų66.226%0.25836%0.355SS..  trans-58.1135177.200000113.3G37 F38G37-G40 PolarHBondContact O-N 3.43Å; F38-G40 PolarHBondContact O-N 3.15Å
41G86.2Confident92.1Very high55 Ų5568.1 Ų68.157%0.56736%0.363SS*.  trans-73.4-180176.100000113.9M39 G46M39-G41 PolarHBondContact O-N 3.42Å; G41-G46 VanDerWaalsContact O-CA 3.31Å; G41-G46 WeakPolarHBondContact O-CA 3.27Å
42S82.7Confident92Very high124 Ų12467.6 Ų67.687%0.86736%0.363SS*.SBendtrans-81.4160.3174.663.70000112.4
43G82.6Confident92Very high39 Ų3965.7 Ų65.740%0.40235%0.351SS..SBendtrans90.1177.8178.700000114.7Y45 G46 H47G43-Y45 PolarHBondContact O-N 2.79Å; G43-G46 PolarHBondContact O-N 3.31Å; G43-G46 VanDerWaalsContact O-N 3.15Å; G43-H47 PolarHBondContact O-N 3.29Å; G43-H47 PolarHBondContact O-ND1 3.36Å
44F82.3Confident92Very high58 Ų5865.1 Ų65.125%0.25435%0.348SS..Hα-helixtrans-60.6-47.5-167.2-175.7-99.4000113.9G46 H47 L48 I92 K95 L96F44-G46 VanDerWaalsContact C-N 3.31Å; F44-G46 PolarHBondContact O-N 3.13Å; F44-H47 PolarHBondContact O-N 2.95Å; F44-L48 PolarHBondContact O-N 2.99Å; F44-L48 VanDerWaalsContact O-N 3.08Å; F44-I92 HydrophobicContact CD2-CG2 4.49Å; F44-I92 HydrophobicContact CE1-CG2 4.29Å; F44-I92 HydrophobicContact CE2-CG2 3.8Å; F44-I92 HydrophobicContact CZ-CG2 3.69Å; F44-I92 WeakPolarHBondContact CZ-O 3.4Å; F44-K95 HydrophobicContact CE2-CB 4.27Å; F44-K95 HydrophobicContact CE2-CD 3.91Å; F44-K95 HydrophobicContact CE2-CG 4.08Å; F44-K95 HydrophobicContact CZ-CB 4.3Å; F44-K95 HydrophobicContact CZ-CG 4.33Å; F44-L96 HydrophobicContact CE1-CB 3.92Å; F44-L96 HydrophobicContact CE1-CD1 3.9Å; F44-L96 HydrophobicContact CE1-CG 4.43Å; F44-L96 HydrophobicContact CZ-CB 3.97Å
45Y84.4Confident92.1Very high164 Ų16464.8 Ų64.864%0.64335%0.347SS*.Hα-helixtrans-67.4-31.9176.9-65.6-76.4000112.5G43 L48 Y49 L96G43-Y45 PolarHBondContact O-N 2.79Å; Y45-L48 PolarHBondContact O-N 2.85Å; Y45-Y49 WeakPolarHBondContact O-CB 3.21Å; Y45-Y49 PolarHBondContact O-N 3.46Å; Y45-L96 HydrophobicContact CE1-CD1 4.49Å
46G91.7Very high92.1Very high11 Ų1161.7 Ų61.711%0.11334%0.339CS..Hα-helixtrans-65.6-41.8173.700000112.6G41 G43 F44 Y49 L50G41-G46 VanDerWaalsContact O-CA 3.31Å; G41-G46 WeakPolarHBondContact O-CA 3.27Å; G43-G46 PolarHBondContact O-N 3.31Å; G43-G46 VanDerWaalsContact O-N 3.15Å; F44-G46 VanDerWaalsContact C-N 3.31Å; F44-G46 PolarHBondContact O-N 3.13Å; G46-Y49 PolarHBondContact O-N 2.95Å; G46-L50 WeakPolarHBondContact O-CB 3.24Å; G46-L50 PolarHBondContact O-N 3.1Å
47H91.4Very high92.1Very high92 Ų9259 Ų5943%0.42633%0.325SS..Hα-helixtrans-65-41.2173.9-70.370.6000111.6G43 F44 Y49 L50 F51 I92G43-H47 PolarHBondContact O-N 3.29Å; G43-H47 PolarHBondContact O-ND1 3.36Å; F44-H47 PolarHBondContact O-N 2.95Å; H47-Y49 VanDerWaalsContact C-N 3.34Å; H47-Y49 PolarHBondContact O-N 3.43Å; H47-L50 PolarHBondContact O-N 3.04Å; H47-F51 HydrophobicContact CB-CD2 4.45Å; H47-F51 WeakPolarHBondContact O-CD2 3.14Å; H47-F51 PolarHBondContact O-N 3.23Å; H47-I92 HydrophobicContact CB-CD1 3.9Å
48L91.4Very high92.2Very high32 Ų3260 Ų6017%0.16833%0.329CS..Hα-helixtrans-59-47.2174.8-179.364.4000111.1F44 Y45 T52 I92 V93 L96F44-L48 PolarHBondContact O-N 2.99Å; F44-L48 VanDerWaalsContact O-N 3.08Å; Y45-L48 PolarHBondContact O-N 2.85Å; L48-T52 VanDerWaalsContact O-CB 3.28Å; L48-T52 WeakPolarHBondContact O-CB 3.48Å; L48-T52 PolarHBondContact O-N 2.77Å; L48-T52 PolarHBondContact O-OG1 3.42Å; L48-I92 HydrophobicContact CB-CG2 3.89Å; L48-I92 HydrophobicContact CD1-CG2 3.9Å; L48-I92 HydrophobicContact CG-CG2 4.45Å; L48-V93 HydrophobicContact CD1-CG2 3.7Å; L48-L96 HydrophobicContact CD2-CD2 4.03Å
49Y94.3Very high92.3Very high86 Ų8658.8 Ų58.834%0.33732%0.324SS..Hα-helixtrans-58.6-52.8176.7177-89000111.5L36 Y45 G46 H47 F51 T52 F53L36-Y49 VanDerWaalsContact O-CE1 3.23Å; L36-Y49 WeakPolarHBondContact O-CE1 3.4Å; L36-Y49 PolarHBondContact O-OH 2.96Å; Y45-Y49 WeakPolarHBondContact O-CB 3.21Å; Y45-Y49 PolarHBondContact O-N 3.46Å; G46-Y49 PolarHBondContact O-N 2.95Å; H47-Y49 VanDerWaalsContact C-N 3.34Å; H47-Y49 PolarHBondContact O-N 3.43Å; Y49-F51 PolarHBondContact O-N 2.6Å; Y49-T52 PolarHBondContact O-N 2.93Å; Y49-F53 HydrophobicContact CD1-CD2 4.35Å; Y49-F53 AromaticContact CD2-CD2 3.9Å; Y49-F53 HydrophobicContact CD2-CD2 3.9Å; Y49-F53 AromaticContact CD2-CE2 3.7Å; Y49-F53 HydrophobicContact CD2-CE2 3.7Å; Y49-F53 HydrophobicContact CE1-CD2 4.14Å; Y49-F53 HydrophobicContact CE1-CE2 4.46Å; Y49-F53 AromaticContact CE2-CD2 3.65Å; Y49-F53 HydrophobicContact CE2-CD2 3.65Å; Y49-F53 AromaticContact CE2-CE2 3.21Å; Y49-F53 HydrophobicContact CE2-CE2 3.21Å; Y49-F53 HydrophobicContact CE2-CZ 4.08Å; Y49-F53 HydrophobicContact CG-CD2 4.23Å; Y49-F53 HydrophobicContact CG-CE2 4.48Å; Y49-F53 AromaticContact CZ-CD2 3.77Å; Y49-F53 AromaticContact CZ-CE2 3.65Å; Y49-F53 WeakPolarHBondContact O-CD2 3.07Å; Y49-F53 PolarHBondContact O-N 3.33Å; Y49-F53 VanDerWaalsContact O-N 3.09Å
50L95.8Very high92.4Very high41 Ų4153.9 Ų53.922%0.21530%0.301CS..Hα-helixtrans-52.1-58.8178.5173.168.7000111.3G37 F38 G46 H47 T52 F53 L54G37-L50 WeakPolarHBondContact O-CD1 3.34Å; F38-L50 HydrophobicContact CD1-CD1 4.31Å; G46-L50 WeakPolarHBondContact O-CB 3.24Å; G46-L50 PolarHBondContact O-N 3.1Å; H47-L50 PolarHBondContact O-N 3.04Å; L50-T52 VanDerWaalsContact C-N 3.31Å; L50-T52 PolarHBondContact O-N 3.22Å; L50-F53 PolarHBondContact O-N 2.76Å; L50-L54 HydrophobicContact CD1-CD1 3.64Å; L50-L54 HydrophobicContact CD1-CG 4.09Å; L50-L54 HydrophobicContact CG-CD1 3.91Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 2.7Å
51F95.7Very high92.6Very high39 Ų3953.3 Ų53.317%0.17129%0.293CS..Hα-helixtrans-69.8-27.2-175-72.9-65.3000113.3H47 Y49 T55 C85 Q88 A89 I92H47-F51 HydrophobicContact CB-CD2 4.45Å; H47-F51 WeakPolarHBondContact O-CD2 3.14Å; H47-F51 PolarHBondContact O-N 3.23Å; Y49-F51 PolarHBondContact O-N 2.6Å; F51-T55 VanDerWaalsContact O-CB 3.26Å; F51-T55 WeakPolarHBondContact O-CB 2.98Å; F51-T55 PolarHBondContact O-N 2.9Å; F51-T55 PolarHBondContact O-OG1 3.46Å; F51-C85 HydrophobicContact CD1-CB 4.36Å; F51-Q88 HydrophobicContact CB-CB 4.48Å; F51-Q88 HydrophobicContact CD1-CB 3.62Å; F51-Q88 HydrophobicContact CD1-CG 4.23Å; F51-Q88 HydrophobicContact CD2-CB 3.94Å; F51-Q88 HydrophobicContact CE1-CB 3.69Å; F51-Q88 HydrophobicContact CE1-CG 3.8Å; F51-Q88 HydrophobicContact CE2-CB 4Å; F51-Q88 HydrophobicContact CE2-CG 4.43Å; F51-Q88 HydrophobicContact CG-CB 3.75Å; F51-Q88 HydrophobicContact CZ-CB 3.88Å; F51-Q88 HydrophobicContact CZ-CG 3.92Å; F51-A89 HydrophobicContact CB-CB 4.08Å; F51-I92 HydrophobicContact CD2-CD1 3.42Å; F51-I92 VanDerWaalsContact CD2-CD1 3.42Å; F51-I92 HydrophobicContact CE2-CD1 3.96Å; F51-I92 HydrophobicContact CG-CD1 4.38Å
52T95.1Very high93Very high63 Ų6351.3 Ų51.339%0.38727%0.27SS..Hα-helixtrans-66.9-51.9174.9-57.30000110.7L48 Y49 L50 T55 V56L48-T52 VanDerWaalsContact O-CB 3.28Å; L48-T52 WeakPolarHBondContact O-CB 3.48Å; L48-T52 PolarHBondContact O-N 2.77Å; L48-T52 PolarHBondContact O-OG1 3.42Å; Y49-T52 PolarHBondContact O-N 2.93Å; L50-T52 VanDerWaalsContact C-N 3.31Å; L50-T52 PolarHBondContact O-N 3.22Å; T52-T55 PolarHBondContact O-N 2.71Å; T52-V56 WeakPolarHBondContact O-CG2 3.2Å; T52-V56 PolarHBondContact O-N 2.77Å; T52-V56 VanDerWaalsContact O-N 3.15Å
53F96.9Very high93.5Very high58 Ų5847.5 Ų47.525%0.25425%0.246SC..Hα-helixtrans-65.5-41179.2-87.8-86.4000112.5L33 L36 G37 Y49 L50 T55 V56 G57L33-F53 HydrophobicContact CD2-CD1 3.77Å; L33-F53 HydrophobicContact CD2-CE1 3.95Å; L36-F53 HydrophobicContact CB-CD1 3.81Å; L36-F53 HydrophobicContact CB-CE1 4.06Å; L36-F53 HydrophobicContact CB-CG 4.39Å; L36-F53 HydrophobicContact CD1-CD1 4.29Å; L36-F53 HydrophobicContact CD1-CE1 3.84Å; G37-F53 VanDerWaalsContact CA-CB 3.49Å; Y49-F53 HydrophobicContact CD1-CD2 4.35Å; Y49-F53 AromaticContact CD2-CD2 3.9Å; Y49-F53 HydrophobicContact CD2-CD2 3.9Å; Y49-F53 AromaticContact CD2-CE2 3.7Å; Y49-F53 HydrophobicContact CD2-CE2 3.7Å; Y49-F53 HydrophobicContact CE1-CD2 4.14Å; Y49-F53 HydrophobicContact CE1-CE2 4.46Å; Y49-F53 AromaticContact CE2-CD2 3.65Å; Y49-F53 HydrophobicContact CE2-CD2 3.65Å; Y49-F53 AromaticContact CE2-CE2 3.21Å; Y49-F53 HydrophobicContact CE2-CE2 3.21Å; Y49-F53 HydrophobicContact CE2-CZ 4.08Å; Y49-F53 HydrophobicContact CG-CD2 4.23Å; Y49-F53 HydrophobicContact CG-CE2 4.48Å; Y49-F53 AromaticContact CZ-CD2 3.77Å; Y49-F53 AromaticContact CZ-CE2 3.65Å; Y49-F53 WeakPolarHBondContact O-CD2 3.07Å; Y49-F53 PolarHBondContact O-N 3.33Å; Y49-F53 VanDerWaalsContact O-N 3.09Å; L50-F53 PolarHBondContact O-N 2.76Å; F53-T55 VanDerWaalsContact C-N 3.33Å; F53-T55 PolarHBondContact O-N 2.68Å; F53-V56 PolarHBondContact O-N 3.34Å; F53-G57 PolarHBondContact O-N 3.45Å
54L96.9Very high94Very high11 Ų1147.7 Ų47.76%0.05823%0.234CC..Hα-helixtrans-61.8-40.2174.7-71.1-178.9000112L34 F38 L50 G57 F58 C85L34-L54 HydrophobicContact CD2-CD2 3.73Å; F38-L54 HydrophobicContact CD1-CD2 4.48Å; F38-L54 HydrophobicContact CD2-CD2 4.35Å; F38-L54 HydrophobicContact CE1-CD1 4.34Å; F38-L54 HydrophobicContact CE1-CD2 4.09Å; F38-L54 HydrophobicContact CE2-CD2 3.94Å; F38-L54 HydrophobicContact CZ-CD2 3.79Å; L50-L54 HydrophobicContact CD1-CD1 3.64Å; L50-L54 HydrophobicContact CD1-CG 4.09Å; L50-L54 HydrophobicContact CG-CD1 3.91Å; L50-L54 WeakPolarHBondContact O-CB 3.4Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.5Å; L50-L54 PolarHBondContact O-N 2.7Å; L54-G57 PolarHBondContact O-N 2.87Å; L54-F58 HydrophobicContact CB-CD2 4.19Å; L54-F58 HydrophobicContact CB-CE2 4.07Å; L54-F58 HydrophobicContact CD2-CE2 4.11Å; L54-F58 WeakPolarHBondContact O-CB 3.33Å; L54-F58 WeakPolarHBondContact O-CD2 3.49Å; L54-F58 PolarHBondContact O-N 3.05Å; L54-C85 HydrophobicContact CB-CB 4.35Å
55T97.6Very high94.4Very high15 Ų1545 Ų459%0.09222%0.223CC..Hα-helixtrans-61.1-47.5177.1-610000111.2F51 T52 F53 F59 F82 C85 L86F51-T55 VanDerWaalsContact O-CB 3.26Å; F51-T55 WeakPolarHBondContact O-CB 2.98Å; F51-T55 PolarHBondContact O-N 2.9Å; F51-T55 PolarHBondContact O-OG1 3.46Å; T52-T55 PolarHBondContact O-N 2.71Å; F53-T55 VanDerWaalsContact C-N 3.33Å; F53-T55 PolarHBondContact O-N 2.68Å; T55-F59 VanDerWaalsContact O-CB 3.3Å; T55-F59 WeakPolarHBondContact O-CB 3.28Å; T55-F59 PolarHBondContact O-N 3.1Å; T55-F82 HydrophobicContact CG2-CD2 3.84Å; T55-F82 HydrophobicContact CG2-CE2 3.54Å; T55-F82 WeakPolarHBondContact O-CD2 3.41Å; T55-C85 VanDerWaalsContact OG1-C 3.26Å; T55-C85 WeakPolarHBondContact OG1-CB 3.37Å; T55-C85 PolarHBondContact OG1-O 2.76Å; T55-L86 HydrophobicContact CG2-CB 4Å; T55-L86 HydrophobicContact CG2-CD1 3.99Å; T55-L86 PolarHBondContact OG1-N 3.12Å
56V97.4Very high94.6Very high69 Ų6946.5 Ų46.542%0.41823%0.227SC..Hα-helixtrans-67.8-39.6178.2-172.30000111L33 T52 F53 F59 C60L33-V56 HydrophobicContact CD1-CB 4.25Å; L33-V56 HydrophobicContact CD1-CG1 3.68Å; T52-V56 WeakPolarHBondContact O-CG2 3.2Å; T52-V56 PolarHBondContact O-N 2.77Å; T52-V56 VanDerWaalsContact O-N 3.15Å; F53-V56 PolarHBondContact O-N 3.34Å; V56-F59 WeakPolarHBondContact O-CB 3.25Å; V56-F59 PolarHBondContact O-N 2.85Å; V56-C60 PolarHBondContact O-N 2.99Å; V56-C60 PolarHBondContact O-SG 3.01Å; V56-C60 VanDerWaalsContact O-SG 3.36Å
57G97.2Very high94.3Very high0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-60.5-51.9176.900000112.9F53 L54 F59 C60 S61F53-G57 PolarHBondContact O-N 3.45Å; L54-G57 PolarHBondContact O-N 2.87Å; G57-F59 VanDerWaalsContact C-N 3.31Å; G57-F59 PolarHBondContact O-N 2.91Å; G57-C60 PolarHBondContact O-N 2.82Å; G57-S61 PolarHBondContact O-N 2.83Å; G57-S61 PolarHBondContact O-OG 3.34Å
58F97.5Very high93.8Very high20 Ų2048.4 Ų48.49%0.08825%0.245CC..Hα-helixtrans-67.4-30.1177.5-70.8-56.6000112.9L34 L54 S61 T62 N78 L81 F82L34-F58 HydrophobicContact CD1-CE1 4.33Å; L34-F58 HydrophobicContact CD2-CD1 3.93Å; L34-F58 HydrophobicContact CD2-CD2 4.07Å; L34-F58 HydrophobicContact CD2-CE1 3.75Å; L34-F58 HydrophobicContact CD2-CE2 3.9Å; L34-F58 HydrophobicContact CD2-CG 4.07Å; L34-F58 HydrophobicContact CD2-CZ 3.73Å; L54-F58 HydrophobicContact CB-CD2 4.19Å; L54-F58 HydrophobicContact CB-CE2 4.07Å; L54-F58 HydrophobicContact CD2-CE2 4.11Å; L54-F58 WeakPolarHBondContact O-CB 3.33Å; L54-F58 WeakPolarHBondContact O-CD2 3.49Å; L54-F58 PolarHBondContact O-N 3.05Å; F58-S61 PolarHBondContact O-N 3.14Å; F58-T62 VanDerWaalsContact O-CB 3.31Å; F58-T62 WeakPolarHBondContact O-CB 3.5Å; F58-T62 PolarHBondContact O-N 3.44Å; F58-T62 PolarHBondContact O-OG1 3.01Å; F58-N78 WeakPolarHBondContact CD1-OD1 3.39Å; F58-L81 HydrophobicContact CD1-CB 3.91Å; F58-L81 HydrophobicContact CD1-CD1 4.21Å; F58-L81 HydrophobicContact CD2-CB 3.93Å; F58-L81 HydrophobicContact CE1-CB 3.94Å; F58-L81 HydrophobicContact CE1-CD1 3.57Å; F58-L81 HydrophobicContact CE1-CG 4.38Å; F58-L81 HydrophobicContact CE2-CB 3.96Å; F58-L81 HydrophobicContact CG-CB 3.93Å; F58-L81 HydrophobicContact CZ-CB 3.97Å; F58-L81 HydrophobicContact CZ-CD1 3.8Å; F58-L81 HydrophobicContact CZ-CG 4.38Å; F58-F82 HydrophobicContact CB-CB 3.83Å
59F96.8Very high93.2Very high117 Ų11751.1 Ų51.151%0.51327%0.265SS..Hα-helixtrans-62-47.3170.1176.2-102.8000111.3T55 V56 G57 T62 A63 F82T55-F59 VanDerWaalsContact O-CB 3.3Å; T55-F59 WeakPolarHBondContact O-CB 3.28Å; T55-F59 PolarHBondContact O-N 3.1Å; V56-F59 WeakPolarHBondContact O-CB 3.25Å; V56-F59 PolarHBondContact O-N 2.85Å; G57-F59 VanDerWaalsContact C-N 3.31Å; G57-F59 PolarHBondContact O-N 2.91Å; F59-T62 PolarHBondContact O-N 2.85Å; F59-A63 WeakPolarHBondContact O-CB 3.19Å; F59-A63 PolarHBondContact O-N 2.87Å; F59-F82 HydrophobicContact CB-CD2 3.84Å; F59-F82 HydrophobicContact CB-CE2 3.83Å; F59-F82 HydrophobicContact CD2-CE2 4.17Å; F59-F82 HydrophobicContact CD2-CZ 4.24Å; F59-F82 HydrophobicContact CG-CE2 4.4Å
60C96.1Very high92.7Very high13 Ų1349.9 Ų49.99%0.08827%0.268CS..Hα-helixtrans-62.5-42.2175.2-68.60000112.3A30 V56 G57 T62 A63 W64A30-C60 HydrophobicContact CB-CB 3.67Å; V56-C60 PolarHBondContact O-N 2.99Å; V56-C60 PolarHBondContact O-SG 3.01Å; V56-C60 VanDerWaalsContact O-SG 3.36Å; G57-C60 PolarHBondContact O-N 2.82Å; C60-T62 VanDerWaalsContact C-N 3.34Å; C60-T62 PolarHBondContact O-N 3.13Å; C60-A63 PolarHBondContact O-N 3.48Å; C60-W64 PolarHBondContact O-N 3.15Å
61S94.4Very high92.1Very high12 Ų1249.2 Ų49.28%0.08427%0.266CS..Hα-helixtrans-61.8-41.1174.9-61.40000112.3A30 G57 F58 W64 A65 N78A30-S61 WeakPolarHBondContact CB-OG 3.33Å; G57-S61 PolarHBondContact O-N 2.83Å; G57-S61 PolarHBondContact O-OG 3.34Å; F58-S61 PolarHBondContact O-N 3.14Å; S61-W64 PolarHBondContact O-N 3.49Å; S61-A65 WeakPolarHBondContact O-CB 3.47Å; S61-A65 PolarHBondContact O-N 2.95Å; S61-N78 WeakPolarHBondContact CB-OD1 3.43Å
62T95Very high91.7Very high14 Ų1451.2 Ų51.29%0.08628%0.281CS..Hα-helixtrans-63.5-45176.3-58.60000110.8F58 F59 C60 W64 A65 W66 F75 F79F58-T62 VanDerWaalsContact O-CB 3.31Å; F58-T62 WeakPolarHBondContact O-CB 3.5Å; F58-T62 PolarHBondContact O-N 3.44Å; F58-T62 PolarHBondContact O-OG1 3.01Å; F59-T62 PolarHBondContact O-N 2.85Å; C60-T62 VanDerWaalsContact C-N 3.34Å; C60-T62 PolarHBondContact O-N 3.13Å; T62-W64 VanDerWaalsContact C-N 3.33Å; T62-W64 PolarHBondContact O-N 3.02Å; T62-A65 PolarHBondContact O-N 2.9Å; T62-W66 PolarHBondContact O-N 2.64Å; T62-F75 HydrophobicContact CG2-CD2 3.68Å; T62-F75 HydrophobicContact CG2-CE2 3.37Å; T62-F75 HydrophobicContact CG2-CZ 4.32Å; T62-F79 HydrophobicContact CG2-CB 4.13Å; T62-F79 HydrophobicContact CG2-CD2 4.09Å; T62-F79 PolarHBondContact OG1-N 3.26Å
63A93.6Very high91.3Very high44 Ų4453.2 Ų53.236%0.36429%0.29SS..Hα-helixtrans-64.2-37.1178.100000112.4F59 C60F59-A63 WeakPolarHBondContact O-CB 3.19Å; F59-A63 PolarHBondContact O-N 2.87Å; C60-A63 PolarHBondContact O-N 3.48Å
64W92.8Very high91Very high42 Ų4253.1 Ų53.116%0.15929%0.294CS..Hα-helixtrans-67.1-48.3173169.984.9000111.5E23 L26 F27 C60 S61 T62 W66 S67 T71 T74E23-W64 VanDerWaalsContact CD-CZ2 3.46Å; E23-W64 VanDerWaalsContact OE2-CE2 3.25Å; E23-W64 WeakPolarHBondContact OE2-CZ2 3.42Å; E23-W64 PolarHBondContact OE2-NE1 3.21Å; L26-W64 HydrophobicContact CB-CB 4.39Å; F27-W64 HydrophobicContact CB-CD2 4.33Å; F27-W64 HydrophobicContact CB-CG 4.13Å; F27-W64 AromaticContact CD2-CD2 3.85Å; F27-W64 HydrophobicContact CD2-CD2 3.85Å; F27-W64 AromaticContact CD2-CE2 3.75Å; F27-W64 HydrophobicContact CD2-CE3 4.06Å; F27-W64 HydrophobicContact CD2-CG 4.46Å; F27-W64 HydrophobicContact CD2-CH2 4.14Å; F27-W64 AromaticContact CD2-CZ2 3.92Å; F27-W64 HydrophobicContact CD2-CZ2 3.92Å; F27-W64 HydrophobicContact CD2-CZ3 4.19Å; F27-W64 HydrophobicContact CE2-CH2 4.26Å; F27-W64 HydrophobicContact CE2-CZ2 4.38Å; F27-W64 HydrophobicContact CE2-CZ3 4.4Å; C60-W64 PolarHBondContact O-N 3.15Å; S61-W64 PolarHBondContact O-N 3.49Å; T62-W64 VanDerWaalsContact C-N 3.33Å; T62-W64 PolarHBondContact O-N 3.02Å; W64-W66 PolarHBondContact O-N 3.36Å; W64-S67 WeakPolarHBondContact O-CB 3.23Å; W64-S67 PolarHBondContact O-N 2.91Å; W64-S67 PolarHBondContact O-OG 2.91Å; W64-T71 HydrophobicContact CH2-CG2 4.38Å; W64-T74 HydrophobicContact CZ3-CG2 4.15Å
65A90.6Very high90.8Very high2 Ų254.5 Ų54.52%0.01730%0.3CS..Hα-helixtrans-67.7-19.5-179.700000113.5S61 T62 S67 T71 T74 F75S61-A65 WeakPolarHBondContact O-CB 3.47Å; S61-A65 PolarHBondContact O-N 2.95Å; T62-A65 PolarHBondContact O-N 2.9Å; A65-S67 PolarHBondContact O-N 3.05Å; A65-T71 WeakPolarHBondContact CA-OG1 3.09Å; A65-T71 PolarHBondContact O-OG1 2.99Å; A65-T74 HydrophobicContact CB-CG2 4.32Å; A65-F75 HydrophobicContact CB-CB 3.84Å
66W88.9Confident90.6Very high195 Ų19558.7 Ų58.774%0.73932%0.321SS*.THydrogen-bonded Turntrans-67.9-23.4172.1-176.7-92.1000112.8T62 W64 D68 F75T62-W66 PolarHBondContact O-N 2.64Å; W64-W66 PolarHBondContact O-N 3.36Å; W66-D68 VanDerWaalsContact C-N 3.28Å; W66-D68 PolarHBondContact O-N 3.36Å; W66-F75 HydrophobicContact CB-CD2 4.37Å; W66-F75 HydrophobicContact CB-CE2 4.48Å; W66-F75 HydrophobicContact CD2-CE2 4.45Å; W66-F75 HydrophobicContact CE3-CD2 4.04Å; W66-F75 HydrophobicContact CE3-CE1 4.38Å; W66-F75 AromaticContact CE3-CE2 3.44Å; W66-F75 HydrophobicContact CE3-CE2 3.44Å; W66-F75 VanDerWaalsContact CE3-CE2 3.44Å; W66-F75 AromaticContact CE3-CZ 3.65Å; W66-F75 HydrophobicContact CE3-CZ 3.65Å; W66-F75 HydrophobicContact CZ3-CE1 4.36Å; W66-F75 HydrophobicContact CZ3-CE2 4.08Å; W66-F75 AromaticContact CZ3-CZ 3.79Å; W66-F75 HydrophobicContact CZ3-CZ 3.79Å
67S85.1Confident90.5Very high90 Ų9063.2 Ų63.263%0.62933%0.33SS*.THydrogen-bonded Turntrans-73-17.3-173.669.50000114.4W64 A65W64-S67 WeakPolarHBondContact O-CB 3.23Å; W64-S67 PolarHBondContact O-N 2.91Å; W64-S67 PolarHBondContact O-OG 2.91Å; A65-S67 PolarHBondContact O-N 3.05Å
68D80.8Confident90.4Very high53 Ų5364.4 Ų64.428%0.28334%0.337SS..  trans-132.4120.5-176.8-164.9-33.5000111.9W66 C70 T71W66-D68 VanDerWaalsContact C-N 3.28Å; W66-D68 PolarHBondContact O-N 3.36Å; D68-C70 PolarHBondContact O-N 2.95Å; D68-C70 VanDerWaalsContact O-N 3.1Å; D68-C70 VanDerWaalsContact OD1-CB 3.29Å; D68-C70 WeakPolarHBondContact OD1-CB 3.46Å; D68-C70 PolarHBondContact OD1-N 3.01Å; D68-T71 HydrophobicContact CB-CG2 4.25Å; D68-T71 PolarHBondContact O-N 3.37Å; D68-T71 PolarHBondContact O-OG1 3.42Å
69P78.8Confident90.3Very high89 Ų8968.9 Ų68.958%0.57836%0.356SS*.G310 helixtrans-54.2-28.9175.5-2433.2000114P13 T71 T72P13-P69 HydrophobicContact CG-CB 4.21Å; P69-T71 PolarHBondContact O-N 3.17Å; P69-T72 PolarHBondContact O-N 3.21Å; P69-T72 PolarHBondContact O-OG1 3.18Å
70C83.1Confident90.4Very high61 Ų6166 Ų6641%0.41235%0.354SS..G310 helixtrans-70.6-14.5179.9-72.40000114.3C15 D68C15-C70 HydrophobicContact CB-CB 3.71Å; C15-C70 WeakPolarHBondContact CB-SG 3.33Å; C15-C70 WeakPolarHBondContact SG-CA 3.41Å; C15-C70 WeakPolarHBondContact SG-CB 3.44Å; C15-C70 CovalentContact SG-SG 2.02Å; C15-C70 PolarHBondContact SG-SG 3.04Å; D68-C70 PolarHBondContact O-N 2.95Å; D68-C70 VanDerWaalsContact O-N 3.1Å; D68-C70 VanDerWaalsContact OD1-CB 3.29Å; D68-C70 WeakPolarHBondContact OD1-CB 3.46Å; D68-C70 PolarHBondContact OD1-N 3.01Å
71T83.9Confident90.4Very high26 Ų2668.9 Ų68.916%0.1637%0.368CS..G310 helixtrans-101.823.3-179.163.50000113W64 A65 D68 P69 D73 T74 F75W64-T71 HydrophobicContact CH2-CG2 4.38Å; A65-T71 WeakPolarHBondContact CA-OG1 3.09Å; A65-T71 PolarHBondContact O-OG1 2.99Å; D68-T71 HydrophobicContact CB-CG2 4.25Å; D68-T71 PolarHBondContact O-N 3.37Å; D68-T71 PolarHBondContact O-OG1 3.42Å; P69-T71 PolarHBondContact O-N 3.17Å; T71-D73 VanDerWaalsContact C-N 3.34Å; T71-D73 PolarHBondContact O-N 3.35Å; T71-T74 CarbonylContact O-C 3.59Å; T71-T74 WeakPolarHBondContact O-CA 3.42Å; T71-T74 WeakPolarHBondContact O-CB 3.11Å; T71-T74 PolarHBondContact O-N 3.1Å; T71-T74 VanDerWaalsContact O-N 3.07Å; T71-F75 PolarHBondContact O-N 2.97Å
72T86.6Confident90.6Very high82 Ų8270.2 Ų70.250%0.50337%0.372SS..Hα-helixtrans-55.4-42.6-176.7-63.60000113.3P69 F75 L76P69-T72 PolarHBondContact O-N 3.21Å; P69-T72 PolarHBondContact O-OG1 3.18Å; T72-F75 WeakPolarHBondContact O-CB 3.33Å; T72-F75 PolarHBondContact O-N 3.48Å; T72-L76 HydrophobicContact CG2-CD1 4.26Å; T72-L76 WeakPolarHBondContact O-CG 3.34Å; T72-L76 PolarHBondContact O-N 2.65Å
73D87.9Confident90.7Very high104 Ų10470.9 Ų70.956%0.55638%0.382SS*.Hα-helixtrans-63.6-45.6176.7179.168.8000111.4T71 F75 L76 W77T71-D73 VanDerWaalsContact C-N 3.34Å; T71-D73 PolarHBondContact O-N 3.35Å; D73-F75 VanDerWaalsContact C-N 3.3Å; D73-F75 PolarHBondContact O-N 3.12Å; D73-L76 PolarHBondContact O-N 3.29Å; D73-W77 VanDerWaalsContact O-CD1 3.27Å; D73-W77 PolarHBondContact O-N 3.48Å; D73-W77 VanDerWaalsContact O-N 3.09Å; D73-W77 PolarHBondContact OD1-NE1 2.93Å
74T89.8Confident90.8Very high56 Ų5671.4 Ų71.434%0.34439%0.386SS..Hα-helixtrans-59.9-41.1175.5-52.40000111.7W64 A65 T71 N78W64-T74 HydrophobicContact CZ3-CG2 4.15Å; A65-T74 HydrophobicContact CB-CG2 4.32Å; T71-T74 CarbonylContact O-C 3.59Å; T71-T74 WeakPolarHBondContact O-CA 3.42Å; T71-T74 WeakPolarHBondContact O-CB 3.11Å; T71-T74 PolarHBondContact O-N 3.1Å; T71-T74 VanDerWaalsContact O-N 3.07Å; T74-N78 VanDerWaalsContact CG2-ND2 3.35Å; T74-N78 WeakPolarHBondContact CG2-ND2 3.13Å; T74-N78 WeakPolarHBondContact O-CB 3.48Å; T74-N78 PolarHBondContact O-N 3.11Å; T74-N78 PolarHBondContact O-ND2 3.49Å
75F92.6Very high91Very high41 Ų4169.9 Ų69.918%0.1838%0.382CS..Hα-helixtrans-59.3-50.5174.8168-95.4000111.6T62 A65 W66 T71 T72 D73 W77 N78 F79T62-F75 HydrophobicContact CG2-CD2 3.68Å; T62-F75 HydrophobicContact CG2-CE2 3.37Å; T62-F75 HydrophobicContact CG2-CZ 4.32Å; A65-F75 HydrophobicContact CB-CB 3.84Å; W66-F75 HydrophobicContact CB-CD2 4.37Å; W66-F75 HydrophobicContact CB-CE2 4.48Å; W66-F75 HydrophobicContact CD2-CE2 4.45Å; W66-F75 HydrophobicContact CE3-CD2 4.04Å; W66-F75 HydrophobicContact CE3-CE1 4.38Å; W66-F75 AromaticContact CE3-CE2 3.44Å; W66-F75 HydrophobicContact CE3-CE2 3.44Å; W66-F75 VanDerWaalsContact CE3-CE2 3.44Å; W66-F75 AromaticContact CE3-CZ 3.65Å; W66-F75 HydrophobicContact CE3-CZ 3.65Å; W66-F75 HydrophobicContact CZ3-CE1 4.36Å; W66-F75 HydrophobicContact CZ3-CE2 4.08Å; W66-F75 AromaticContact CZ3-CZ 3.79Å; W66-F75 HydrophobicContact CZ3-CZ 3.79Å; T71-F75 PolarHBondContact O-N 2.97Å; T72-F75 WeakPolarHBondContact O-CB 3.33Å; T72-F75 PolarHBondContact O-N 3.48Å; D73-F75 VanDerWaalsContact C-N 3.3Å; D73-F75 PolarHBondContact O-N 3.12Å; F75-W77 PolarHBondContact O-N 2.5Å; F75-N78 PolarHBondContact O-N 3.34Å; F75-F79 VanDerWaalsContact O-CB 3.31Å; F75-F79 WeakPolarHBondContact O-CB 3.25Å; F75-F79 PolarHBondContact O-N 2.93Å
76L94.3Very high91.3Very high102 Ų10272.8 Ų72.853%0.53440%0.397SS..Hα-helixtrans-60-45.9-177.7-74.6168000112T72 D73 F79 A80T72-L76 HydrophobicContact CG2-CD1 4.26Å; T72-L76 WeakPolarHBondContact O-CG 3.34Å; T72-L76 PolarHBondContact O-N 2.65Å; D73-L76 PolarHBondContact O-N 3.29Å; L76-F79 PolarHBondContact O-N 3.45Å; L76-A80 WeakPolarHBondContact O-CB 3.27Å; L76-A80 PolarHBondContact O-N 3.42Å
77W94.9Very high91.7Very high165 Ų16567.9 Ų67.963%0.62539%0.389SS*.Hα-helixtrans-64.5-46177.9-78.5111.9000112.6D73 F75 F79 A80 L81D73-W77 VanDerWaalsContact O-CD1 3.27Å; D73-W77 PolarHBondContact O-N 3.48Å; D73-W77 VanDerWaalsContact O-N 3.09Å; D73-W77 PolarHBondContact OD1-NE1 2.93Å; F75-W77 PolarHBondContact O-N 2.5Å; W77-F79 VanDerWaalsContact C-N 3.32Å; W77-F79 PolarHBondContact O-N 3.05Å; W77-A80 PolarHBondContact O-N 3.17Å; W77-L81 VanDerWaalsContact O-CG 3.32Å; W77-L81 WeakPolarHBondContact O-CG 3.49Å; W77-L81 PolarHBondContact O-N 2.92Å
78N95Very high92.1Very high24 Ų2467.7 Ų67.713%0.12838%0.378CS..Hα-helixtrans-65.2-37.4178.9-79.4-79000111.9F58 S61 T74 F75 L81 F82F58-N78 WeakPolarHBondContact CD1-OD1 3.39Å; S61-N78 WeakPolarHBondContact CB-OD1 3.43Å; T74-N78 VanDerWaalsContact CG2-ND2 3.35Å; T74-N78 WeakPolarHBondContact CG2-ND2 3.13Å; T74-N78 WeakPolarHBondContact O-CB 3.48Å; T74-N78 PolarHBondContact O-N 3.11Å; T74-N78 PolarHBondContact O-ND2 3.49Å; F75-N78 PolarHBondContact O-N 3.34Å; N78-L81 PolarHBondContact O-N 2.7Å; N78-F82 VanDerWaalsContact O-CB 3.31Å; N78-F82 WeakPolarHBondContact O-CB 3.44Å; N78-F82 PolarHBondContact O-N 3.14Å
79F96.2Very high92.8Very high114 Ų11465.7 Ų65.750%0.537%0.369SS..Hα-helixtrans-66.4-42.1176.3-176.8-106.1000112.1T62 F75 L76 W77 F82 G83T62-F79 HydrophobicContact CG2-CB 4.13Å; T62-F79 HydrophobicContact CG2-CD2 4.09Å; T62-F79 PolarHBondContact OG1-N 3.26Å; F75-F79 VanDerWaalsContact O-CB 3.31Å; F75-F79 WeakPolarHBondContact O-CB 3.25Å; F75-F79 PolarHBondContact O-N 2.93Å; L76-F79 PolarHBondContact O-N 3.45Å; W77-F79 VanDerWaalsContact C-N 3.32Å; W77-F79 PolarHBondContact O-N 3.05Å; F79-F82 HydrophobicContact CD2-CD1 4.36Å; F79-F82 HydrophobicContact CE2-CD1 4.42Å; F79-F82 WeakPolarHBondContact O-CB 3.33Å; F79-F82 PolarHBondContact O-N 2.8Å; F79-G83 PolarHBondContact O-N 3.26Å
80A97.4Very high93.4Very high56 Ų5666.4 Ų66.446%0.46337%0.367SS..Hα-helixtrans-62.4-44.3175.300000111.7L76 W77 G83 A84L76-A80 WeakPolarHBondContact O-CB 3.27Å; L76-A80 PolarHBondContact O-N 3.42Å; W77-A80 PolarHBondContact O-N 3.17Å; A80-G83 PolarHBondContact O-N 3.1Å; A80-A84 PolarHBondContact O-N 2.86Å
81L96.8Very high93.8Very high74 Ų7470.2 Ų70.239%0.38737%0.374SS..Hα-helixtrans-65.4-39.6176.4-69.9171.1000112.1F58 W77 N78 A84 C85F58-L81 HydrophobicContact CD1-CB 3.91Å; F58-L81 HydrophobicContact CD1-CD1 4.21Å; F58-L81 HydrophobicContact CD2-CB 3.93Å; F58-L81 HydrophobicContact CE1-CB 3.94Å; F58-L81 HydrophobicContact CE1-CD1 3.57Å; F58-L81 HydrophobicContact CE1-CG 4.38Å; F58-L81 HydrophobicContact CE2-CB 3.96Å; F58-L81 HydrophobicContact CG-CB 3.93Å; F58-L81 HydrophobicContact CZ-CB 3.97Å; F58-L81 HydrophobicContact CZ-CD1 3.8Å; F58-L81 HydrophobicContact CZ-CG 4.38Å; W77-L81 VanDerWaalsContact O-CG 3.32Å; W77-L81 WeakPolarHBondContact O-CG 3.49Å; W77-L81 PolarHBondContact O-N 2.92Å; N78-L81 PolarHBondContact O-N 2.7Å; L81-A84 PolarHBondContact O-N 2.89Å; L81-C85 WeakPolarHBondContact O-CB 3.48Å; L81-C85 PolarHBondContact O-N 3Å; L81-C85 PolarHBondContact O-SG 3.19Å
82F97.7Very high94.1Very high40 Ų4069.6 Ų69.618%0.17537%0.37CS..Hα-helixtrans-56.7-50.6171.4165.5-106.8000111.1T55 F58 F59 N78 F79 A84 C85 L86T55-F82 HydrophobicContact CG2-CD2 3.84Å; T55-F82 HydrophobicContact CG2-CE2 3.54Å; T55-F82 WeakPolarHBondContact O-CD2 3.41Å; F58-F82 HydrophobicContact CB-CB 3.83Å; F59-F82 HydrophobicContact CB-CD2 3.84Å; F59-F82 HydrophobicContact CB-CE2 3.83Å; F59-F82 HydrophobicContact CD2-CE2 4.17Å; F59-F82 HydrophobicContact CD2-CZ 4.24Å; F59-F82 HydrophobicContact CG-CE2 4.4Å; N78-F82 VanDerWaalsContact O-CB 3.31Å; N78-F82 WeakPolarHBondContact O-CB 3.44Å; N78-F82 PolarHBondContact O-N 3.14Å; F79-F82 HydrophobicContact CD2-CD1 4.36Å; F79-F82 HydrophobicContact CE2-CD1 4.42Å; F79-F82 WeakPolarHBondContact O-CB 3.33Å; F79-F82 PolarHBondContact O-N 2.8Å; F82-A84 PolarHBondContact O-N 2.99Å; F82-C85 PolarHBondContact O-N 2.7Å; F82-L86 HydrophobicContact CE1-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CD2 3.92Å; F82-L86 VanDerWaalsContact O-CB 3.24Å; F82-L86 WeakPolarHBondContact O-CB 3.42Å; F82-L86 PolarHBondContact O-N 3.26Å
83G97.5Very high94.1Very high28 Ų2869 Ų6929%0.28937%0.366SS..Hα-helixtrans-60.9-42.5178.900000113F79 A80 T87F79-G83 PolarHBondContact O-N 3.26Å; A80-G83 PolarHBondContact O-N 3.1Å; G83-T87 WeakPolarHBondContact O-CB 3.27Å; G83-T87 PolarHBondContact O-N 3.16Å; G83-T87 PolarHBondContact O-OG1 2.77Å
84A97.3Very high93.8Very high55 Ų5572.1 Ų72.146%0.45537%0.371SS..Hα-helixtrans-63-47.6175.600000111.9A80 L81 F82 T87 Q88A80-A84 PolarHBondContact O-N 2.86Å; L81-A84 PolarHBondContact O-N 2.89Å; F82-A84 PolarHBondContact O-N 2.99Å; A84-T87 PolarHBondContact O-N 2.85Å; A84-Q88 WeakPolarHBondContact O-CG 3.13Å; A84-Q88 PolarHBondContact O-N 2.88Å; A84-Q88 VanDerWaalsContact O-N 3.08Å
85C96.4Very high93.4Very high10 Ų1073.6 Ų73.67%0.06837%0.372CS..Hα-helixtrans-65-41.7178.8-65.40000112F51 L54 T55 L81 F82 T87 Q88 A89F51-C85 HydrophobicContact CD1-CB 4.36Å; L54-C85 HydrophobicContact CB-CB 4.35Å; T55-C85 VanDerWaalsContact OG1-C 3.26Å; T55-C85 WeakPolarHBondContact OG1-CB 3.37Å; T55-C85 PolarHBondContact OG1-O 2.76Å; L81-C85 WeakPolarHBondContact O-CB 3.48Å; L81-C85 PolarHBondContact O-N 3Å; L81-C85 PolarHBondContact O-SG 3.19Å; F82-C85 PolarHBondContact O-N 2.7Å; C85-T87 VanDerWaalsContact C-N 3.35Å; C85-T87 PolarHBondContact O-N 2.99Å; C85-Q88 PolarHBondContact O-N 3.34Å; C85-A89 WeakPolarHBondContact O-CB 3.29Å; C85-A89 PolarHBondContact O-N 3.22Å
86L96.9Very high92.6Very high63 Ų6373.8 Ų73.833%0.3338%0.375SS..Hα-helixtrans-61.7-44.4176.9178.762.7000110.9T55 F82 Q88 A89 L90T55-L86 HydrophobicContact CG2-CB 4Å; T55-L86 HydrophobicContact CG2-CD1 3.99Å; T55-L86 PolarHBondContact OG1-N 3.12Å; F82-L86 HydrophobicContact CE1-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CD2 3.92Å; F82-L86 VanDerWaalsContact O-CB 3.24Å; F82-L86 WeakPolarHBondContact O-CB 3.42Å; F82-L86 PolarHBondContact O-N 3.26Å; L86-Q88 VanDerWaalsContact C-N 3.33Å; L86-Q88 PolarHBondContact O-N 2.73Å; L86-A89 PolarHBondContact O-N 3.11Å; L86-L90 HydrophobicContact CD1-CD1 4.14Å; L86-L90 HydrophobicContact CD1-CG 4.11Å; L86-L90 HydrophobicContact CG-CD1 3.99Å; L86-L90 HydrophobicContact CG-CG 4.37Å; L86-L90 WeakPolarHBondContact O-CB 3.35Å; L86-L90 VanDerWaalsContact O-CG 3.24Å; L86-L90 WeakPolarHBondContact O-CG 3.44Å; L86-L90 PolarHBondContact O-N 3.06Å
87T96.3Very high91.5Very high93 Ų9378.6 Ų78.657%0.57139%0.386SS*.Hα-helixtrans-60.1-44.7177-58.50000111.2G83 A84 C85 L90 Y91G83-T87 WeakPolarHBondContact O-CB 3.27Å; G83-T87 PolarHBondContact O-N 3.16Å; G83-T87 PolarHBondContact O-OG1 2.77Å; A84-T87 PolarHBondContact O-N 2.85Å; C85-T87 VanDerWaalsContact C-N 3.35Å; C85-T87 PolarHBondContact O-N 2.99Å; T87-L90 PolarHBondContact O-N 3.27Å; T87-Y91 WeakPolarHBondContact O-CB 3.26Å; T87-Y91 PolarHBondContact O-N 3.28Å
88Q95Very high89.9Confident86 Ų8674 Ų7440%0.40238%0.38SS..Hα-helixtrans-64.7-44.6176.3-68.1-65.8-1600112F51 A84 C85 L86 L90 Y91 I92F51-Q88 HydrophobicContact CB-CB 4.48Å; F51-Q88 HydrophobicContact CD1-CB 3.62Å; F51-Q88 HydrophobicContact CD1-CG 4.23Å; F51-Q88 HydrophobicContact CD2-CB 3.94Å; F51-Q88 HydrophobicContact CE1-CB 3.69Å; F51-Q88 HydrophobicContact CE1-CG 3.8Å; F51-Q88 HydrophobicContact CE2-CB 4Å; F51-Q88 HydrophobicContact CE2-CG 4.43Å; F51-Q88 HydrophobicContact CG-CB 3.75Å; F51-Q88 HydrophobicContact CZ-CB 3.88Å; F51-Q88 HydrophobicContact CZ-CG 3.92Å; A84-Q88 WeakPolarHBondContact O-CG 3.13Å; A84-Q88 PolarHBondContact O-N 2.88Å; A84-Q88 VanDerWaalsContact O-N 3.08Å; C85-Q88 PolarHBondContact O-N 3.34Å; L86-Q88 VanDerWaalsContact C-N 3.33Å; L86-Q88 PolarHBondContact O-N 2.73Å; Q88-L90 PolarHBondContact O-N 3.04Å; Q88-Y91 PolarHBondContact O-N 2.71Å; Q88-I92 VanDerWaalsContact O-CG1 3.26Å; Q88-I92 WeakPolarHBondContact O-CG1 3.42Å; Q88-I92 PolarHBondContact O-N 2.77Å
89A93.6Very high88.6Confident11 Ų1174.6 Ų74.69%0.09138%0.382CS..Hα-helixtrans-59.3-47.7176.900000110.9F51 C85 L86 Y91 I92 V93F51-A89 HydrophobicContact CB-CB 4.08Å; C85-A89 WeakPolarHBondContact O-CB 3.29Å; C85-A89 PolarHBondContact O-N 3.22Å; L86-A89 PolarHBondContact O-N 3.11Å; A89-Y91 PolarHBondContact O-N 3.39Å; A89-I92 PolarHBondContact O-N 3.19Å; A89-V93 WeakPolarHBondContact O-CB 3.42Å; A89-V93 VanDerWaalsContact O-CG2 3.26Å; A89-V93 WeakPolarHBondContact O-CG2 3.5Å; A89-V93 PolarHBondContact O-N 3.3Å
90L93.1Very high87.4Confident104 Ų10474 Ų7455%0.54539%0.388SS..Hα-helixtrans-61.9-41.9176.9-71.3174.7000112.2L86 T87 Q88 V93 Y94L86-L90 HydrophobicContact CD1-CD1 4.14Å; L86-L90 HydrophobicContact CD1-CG 4.11Å; L86-L90 HydrophobicContact CG-CD1 3.99Å; L86-L90 HydrophobicContact CG-CG 4.37Å; L86-L90 WeakPolarHBondContact O-CB 3.35Å; L86-L90 VanDerWaalsContact O-CG 3.24Å; L86-L90 WeakPolarHBondContact O-CG 3.44Å; L86-L90 PolarHBondContact O-N 3.06Å; T87-L90 PolarHBondContact O-N 3.27Å; Q88-L90 PolarHBondContact O-N 3.04Å; L90-V93 PolarHBondContact O-N 3.18Å; L90-Y94 VanDerWaalsContact O-CB 3.29Å; L90-Y94 WeakPolarHBondContact O-CB 3.48Å; L90-Y94 PolarHBondContact O-N 3.04Å
91Y91.1Very high86.6Confident140 Ų14072.7 Ų72.755%0.54937%0.372SS..Hα-helixtrans-62.8-43.5176.1175-107.3000112.2T87 Q88 A89 Y94 K95T87-Y91 WeakPolarHBondContact O-CB 3.26Å; T87-Y91 PolarHBondContact O-N 3.28Å; Q88-Y91 PolarHBondContact O-N 2.71Å; A89-Y91 PolarHBondContact O-N 3.39Å; Y91-Y94 WeakPolarHBondContact O-CB 3.3Å; Y91-Y94 PolarHBondContact O-N 3.22Å; Y91-K95 WeakPolarHBondContact O-CB 3.28Å; Y91-K95 PolarHBondContact O-N 3.24Å
92I88.8Confident86Confident13 Ų1373.9 Ų73.97%0.06738%0.379CS..Hα-helixtrans-66.8-42.9177.4-65.8164.5000110.5F44 H47 L48 F51 Q88 A89 Y94 K95 L96F44-I92 HydrophobicContact CD2-CG2 4.49Å; F44-I92 HydrophobicContact CE1-CG2 4.29Å; F44-I92 HydrophobicContact CE2-CG2 3.8Å; F44-I92 HydrophobicContact CZ-CG2 3.69Å; F44-I92 WeakPolarHBondContact CZ-O 3.4Å; H47-I92 HydrophobicContact CB-CD1 3.9Å; L48-I92 HydrophobicContact CB-CG2 3.89Å; L48-I92 HydrophobicContact CD1-CG2 3.9Å; L48-I92 HydrophobicContact CG-CG2 4.45Å; F51-I92 HydrophobicContact CD2-CD1 3.42Å; F51-I92 VanDerWaalsContact CD2-CD1 3.42Å; F51-I92 HydrophobicContact CE2-CD1 3.96Å; F51-I92 HydrophobicContact CG-CD1 4.38Å; Q88-I92 VanDerWaalsContact O-CG1 3.26Å; Q88-I92 WeakPolarHBondContact O-CG1 3.42Å; Q88-I92 PolarHBondContact O-N 2.77Å; A89-I92 PolarHBondContact O-N 3.19Å; I92-Y94 VanDerWaalsContact C-N 3.34Å; I92-Y94 PolarHBondContact O-N 3.16Å; I92-K95 CarbonylContact O-C 3.55Å; I92-K95 PolarHBondContact O-N 3.16Å; I92-L96 WeakPolarHBondContact O-CB 3.38Å; I92-L96 PolarHBondContact O-N 2.95Å
93V86.6Confident85.6Confident70 Ų7080 Ų8042%0.42441%0.405SS..Hα-helixtrans-62.7-41.7175.5169.60000111.1L48 A89 L90 K95 L96 R97L48-V93 HydrophobicContact CD1-CG2 3.7Å; A89-V93 WeakPolarHBondContact O-CB 3.42Å; A89-V93 VanDerWaalsContact O-CG2 3.26Å; A89-V93 WeakPolarHBondContact O-CG2 3.5Å; A89-V93 PolarHBondContact O-N 3.3Å; L90-V93 PolarHBondContact O-N 3.18Å; V93-K95 VanDerWaalsContact C-N 3.32Å; V93-K95 PolarHBondContact O-N 3.1Å; V93-L96 WeakPolarHBondContact O-CB 3.44Å; V93-L96 PolarHBondContact O-N 2.88Å; V93-R97 WeakPolarHBondContact O-CB 3.06Å; V93-R97 PolarHBondContact O-N 2.83Å
94Y83.7Confident85.4Confident169 Ų16979.3 Ų79.366%0.66340%0.395SS*.Hα-helixtrans-58.4-46.2173.8173.5-98.1000111.1L90 Y91 I92 L96 R97 S98L90-Y94 VanDerWaalsContact O-CB 3.29Å; L90-Y94 WeakPolarHBondContact O-CB 3.48Å; L90-Y94 PolarHBondContact O-N 3.04Å; Y91-Y94 WeakPolarHBondContact O-CB 3.3Å; Y91-Y94 PolarHBondContact O-N 3.22Å; I92-Y94 VanDerWaalsContact C-N 3.34Å; I92-Y94 PolarHBondContact O-N 3.16Å; Y94-L96 PolarHBondContact O-N 3.13Å; Y94-R97 PolarHBondContact O-N 2.69Å; Y94-S98 PolarHBondContact O-N 2.91Å
95K80.2Confident85.2Confident87 Ų8777 Ų7738%0.37838%0.375SS..Hα-helixtrans-64.9-37.5175.3-171.8172.1172.1-173.30112.1F44 Y91 I92 V93 S98 L99F44-K95 HydrophobicContact CE2-CB 4.27Å; F44-K95 HydrophobicContact CE2-CD 3.91Å; F44-K95 HydrophobicContact CE2-CG 4.08Å; F44-K95 HydrophobicContact CZ-CB 4.3Å; F44-K95 HydrophobicContact CZ-CG 4.33Å; Y91-K95 WeakPolarHBondContact O-CB 3.28Å; Y91-K95 PolarHBondContact O-N 3.24Å; I92-K95 CarbonylContact O-C 3.55Å; I92-K95 PolarHBondContact O-N 3.16Å; V93-K95 VanDerWaalsContact C-N 3.32Å; V93-K95 PolarHBondContact O-N 3.1Å; K95-S98 PolarHBondContact O-N 3.19Å; K95-S98 PolarHBondContact O-OG 3.38Å; K95-L99 WeakPolarHBondContact O-CG 3.32Å; K95-L99 PolarHBondContact O-N 3.36Å
96L76.8Confident85Confident46 Ų4681.5 Ų81.524%0.24140%0.395CS..Hα-helixtrans-64.2-44.4175.2177.764.8000110.9F44 Y45 L48 I92 V93 Y94 S98 L99 T100F44-L96 HydrophobicContact CE1-CB 3.92Å; F44-L96 HydrophobicContact CE1-CD1 3.9Å; F44-L96 HydrophobicContact CE1-CG 4.43Å; F44-L96 HydrophobicContact CZ-CB 3.97Å; Y45-L96 HydrophobicContact CE1-CD1 4.49Å; L48-L96 HydrophobicContact CD2-CD2 4.03Å; I92-L96 WeakPolarHBondContact O-CB 3.38Å; I92-L96 PolarHBondContact O-N 2.95Å; V93-L96 WeakPolarHBondContact O-CB 3.44Å; V93-L96 PolarHBondContact O-N 2.88Å; Y94-L96 PolarHBondContact O-N 3.13Å; L96-S98 PolarHBondContact O-N 2.94Å; L96-L99 CarbonylContact O-C 3.47Å; L96-L99 WeakPolarHBondContact O-CA 3.4Å; L96-L99 WeakPolarHBondContact O-CB 3.24Å; L96-L99 PolarHBondContact O-N 2.99Å; L96-T100 PolarHBondContact O-N 3.39Å; L96-T100 PolarHBondContact O-OG1 3.48Å
97R70.7Confident84.8Confident203 Ų20382.7 Ų82.777%0.76640%0.399SS*.Hα-helixtrans-60.8-35.1176.6-173.3176.3178.7164.31111.8V93 Y94 L99 T100V93-R97 WeakPolarHBondContact O-CB 3.06Å; V93-R97 PolarHBondContact O-N 2.83Å; Y94-R97 PolarHBondContact O-N 2.69Å; R97-L99 PolarHBondContact O-N 3.26Å; R97-T100 PolarHBondContact O-N 3.45Å
98S61.6Low84.8Confident69 Ų6978.2 Ų78.248%0.48337%0.371SS..THydrogen-bonded Turntrans-67.6-15.6172.777.60000114.1Y94 K95 L96Y94-S98 PolarHBondContact O-N 2.91Å; K95-S98 PolarHBondContact O-N 3.19Å; K95-S98 PolarHBondContact O-OG 3.38Å; L96-S98 PolarHBondContact O-N 2.94Å
99L66.4Low84.8Confident35 Ų3575.9 Ų75.918%0.18336%0.359CS..THydrogen-bonded Turntrans-100.8-10.9176.2-62.3170.1000112.7K95 L96 R97 F101 L120 T121K95-L99 WeakPolarHBondContact O-CG 3.32Å; K95-L99 PolarHBondContact O-N 3.36Å; L96-L99 CarbonylContact O-C 3.47Å; L96-L99 WeakPolarHBondContact O-CA 3.4Å; L96-L99 WeakPolarHBondContact O-CB 3.24Å; L96-L99 PolarHBondContact O-N 2.99Å; R97-L99 PolarHBondContact O-N 3.26Å; L99-F101 WeakPolarHBondContact O-CD2 3.22Å; L99-F101 VanDerWaalsContact O-CE2 3.28Å; L99-F101 WeakPolarHBondContact O-CE2 3.26Å; L99-F101 PolarHBondContact O-N 3.11Å; L99-L120 HydrophobicContact CD2-CB 4.46Å; L99-T121 HydrophobicContact CD2-CG2 4.44Å
100T71.8Confident84.8Confident101 Ų10178 Ų7862%0.6237%0.369SS*.  trans-79.299.6169.8-52.30000107.9L96 R97L96-T100 PolarHBondContact O-N 3.39Å; L96-T100 PolarHBondContact O-OG1 3.48Å; R97-T100 PolarHBondContact O-N 3.45Å
101F80.2Confident84.8Confident30 Ų3075.4 Ų75.413%0.13236%0.359CS..  trans-79.1152.4178.6-63.6-65.1000110.9L99 F105 L120 F123 G124 V127L99-F101 WeakPolarHBondContact O-CD2 3.22Å; L99-F101 VanDerWaalsContact O-CE2 3.28Å; L99-F101 WeakPolarHBondContact O-CE2 3.26Å; L99-F101 PolarHBondContact O-N 3.11Å; F101-F105 HydrophobicContact CB-CB 3.82Å; F101-F105 HydrophobicContact CD1-CB 4.36Å; F101-F105 HydrophobicContact CG-CB 4.33Å; F101-L120 HydrophobicContact CD2-CD2 4.45Å; F101-L120 HydrophobicContact CE2-CD2 4.03Å; F101-F123 HydrophobicContact CD1-CD1 4.37Å; F101-F123 HydrophobicContact CD1-CE1 4.2Å; F101-F123 AromaticContact CD2-CD1 3.99Å; F101-F123 HydrophobicContact CD2-CD1 3.99Å; F101-F123 HydrophobicContact CD2-CE1 4.13Å; F101-F123 HydrophobicContact CE1-CD1 4.07Å; F101-F123 HydrophobicContact CE1-CE1 4.31Å; F101-F123 AromaticContact CE2-CD1 3.65Å; F101-F123 HydrophobicContact CE2-CD1 3.65Å; F101-F123 HydrophobicContact CE2-CE1 4.24Å; F101-F123 HydrophobicContact CG-CD1 4.35Å; F101-F123 HydrophobicContact CG-CE1 4.13Å; F101-F123 AromaticContact CZ-CD1 3.7Å; F101-F123 HydrophobicContact CZ-CD1 3.7Å; F101-F123 HydrophobicContact CZ-CE1 4.34Å; F101-G124 VanDerWaalsContact CZ-CA 3.49Å; F101-V127 HydrophobicContact CD1-CB 4.37Å; F101-V127 HydrophobicContact CD1-CG1 4.25Å; F101-V127 HydrophobicContact CD1-CG2 3.97Å; F101-V127 HydrophobicContact CE1-CB 4.06Å; F101-V127 HydrophobicContact CE1-CG1 4.32Å; F101-V127 HydrophobicContact CE1-CG2 3.83Å
102D85.3Confident85Confident99 Ų9970 Ų7053%0.52934%0.339SS..  trans-60.2154.6163.9-158.9-18.4000109.2D104 F105 E106D102-D104 PolarHBondContact O-N 3.47Å; D102-D104 VanDerWaalsContact O-N 3.1Å; D102-F105 HydrophobicContact CB-CD2 4.02Å; D102-F105 PolarHBondContact O-N 2.9Å; D102-E106 PolarHBondContact O-N 3.43Å
103K89.4Confident85.3Confident167 Ų16769.4 Ų69.473%0.72634%0.336SS*.Hα-helixtrans-51.3-38.6-177.8-70.1-178.1176.6178.30112E106 E107K103-E106 PolarHBondContact O-N 3.44Å; K103-E107 WeakPolarHBondContact O-CB 3.41Å; K103-E107 PolarHBondContact O-N 2.95Å
104D92.4Very high85.6Confident14 Ų1471.7 Ų71.78%0.07534%0.34CS..Hα-helixtrans-62.2-43.5178.3-70.6-8.5000113.1D102 L108 V134 L158 R207D102-D104 PolarHBondContact O-N 3.47Å; D102-D104 VanDerWaalsContact O-N 3.1Å; D104-L108 WeakPolarHBondContact O-CB 3.32Å; D104-L108 PolarHBondContact O-N 2.95Å; D104-V134 HydrophobicContact CB-CG2 3.92Å; D104-L158 HydrophobicContact CB-CD1 3.84Å; D104-R207 IonicContact OD1-CZ 3.52Å; D104-R207 IonicContact OD1-NH1 3.94Å; D104-R207 PolarHBondContact OD1-NH1 3.34Å; D104-R207 IonicContact OD1-NH2 2.66Å; D104-R207 PolarHBondContact OD1-NH2 2.7Å; D104-R207 IonicContact OD2-CZ 2.9Å; D104-R207 IonicContact OD2-NH1 3.46Å; D104-R207 PolarHBondContact OD2-NH1 2.89Å; D104-R207 IonicContact OD2-NH2 2.58Å
105F93Very high85.9Confident6 Ų674.2 Ų74.23%0.02635%0.349CS..Hα-helixtrans-75-33.1177.3-72.2-72.1000111.4F101 D102 Y109 F123 V127 G132 V134 I209F101-F105 HydrophobicContact CB-CB 3.82Å; F101-F105 HydrophobicContact CD1-CB 4.36Å; F101-F105 HydrophobicContact CG-CB 4.33Å; D102-F105 HydrophobicContact CB-CD2 4.02Å; D102-F105 PolarHBondContact O-N 2.9Å; F105-Y109 WeakPolarHBondContact O-CB 3.44Å; F105-Y109 PolarHBondContact O-N 2.76Å; F105-F123 HydrophobicContact CB-CE1 4.24Å; F105-F123 HydrophobicContact CB-CZ 4.39Å; F105-F123 VanDerWaalsContact O-CE1 3.31Å; F105-F123 WeakPolarHBondContact O-CE1 3.41Å; F105-F123 WeakPolarHBondContact O-CZ 3.32Å; F105-V127 HydrophobicContact CB-CG2 4.35Å; F105-V127 HydrophobicContact CD1-CB 4.24Å; F105-V127 HydrophobicContact CD1-CG1 3.8Å; F105-V127 HydrophobicContact CD1-CG2 3.57Å; F105-V127 HydrophobicContact CD2-CG1 4.25Å; F105-V127 HydrophobicContact CE1-CB 4.35Å; F105-V127 HydrophobicContact CE1-CG1 3.75Å; F105-V127 HydrophobicContact CE1-CG2 4.11Å; F105-V127 HydrophobicContact CE2-CG1 4.23Å; F105-V127 HydrophobicContact CG-CG1 4.06Å; F105-V127 HydrophobicContact CG-CG2 4.11Å; F105-V127 HydrophobicContact CZ-CG1 3.99Å; F105-G132 WeakPolarHBondContact CE2-O 3.34Å; F105-V134 HydrophobicContact CE2-CG2 3.88Å; F105-V134 HydrophobicContact CZ-CG2 4.1Å; F105-I209 HydrophobicContact CD1-CD1 3.5Å; F105-I209 HydrophobicContact CD1-CG1 4.48Å; F105-I209 HydrophobicContact CE1-CD1 3.29Å; F105-I209 HydrophobicContact CE1-CG1 3.81Å; F105-I209 HydrophobicContact CE1-CG2 4.19Å; F105-I209 HydrophobicContact CG-CD1 4.37Å; F105-I209 HydrophobicContact CZ-CD1 4.01Å; F105-I209 HydrophobicContact CZ-CG1 4.14Å
106E92Very high86.5Confident106 Ų10673.6 Ų73.650%0.49535%0.349SS..Hα-helixtrans-64.1-42.4172.5-173.5177.6-178.600111.3D102 K103 Y109 N110D102-E106 PolarHBondContact O-N 3.43Å; K103-E106 PolarHBondContact O-N 3.44Å; E106-Y109 WeakPolarHBondContact O-CB 3.47Å; E106-Y109 PolarHBondContact O-N 2.79Å; E106-N110 WeakPolarHBondContact O-CB 3.3Å; E106-N110 PolarHBondContact O-N 3.49Å; E106-N110 PolarHBondContact O-ND2 3.3Å
107E93.4Very high87.1Confident87 Ų8774.2 Ų74.241%0.40737%0.367SS..Hα-helixtrans-65-47.1175.9-161.7177.5-176.700111.2K103 Y109 N110 C111 F177K103-E107 WeakPolarHBondContact O-CB 3.41Å; K103-E107 PolarHBondContact O-N 2.95Å; E107-Y109 VanDerWaalsContact C-N 3.28Å; E107-Y109 PolarHBondContact O-N 3.1Å; E107-N110 PolarHBondContact O-N 2.92Å; E107-C111 WeakPolarHBondContact O-CB 3.46Å; E107-C111 PolarHBondContact O-N 3.26Å; E107-C111 PolarHBondContact O-SG 2.67Å; E107-C111 VanDerWaalsContact O-SG 3.42Å; E107-F177 HydrophobicContact CB-CE1 4.46Å; E107-F177 HydrophobicContact CB-CZ 4.46Å; E107-F177 HydrophobicContact CG-CE1 3.97Å; E107-F177 HydrophobicContact CG-CZ 3.54Å; E107-F177 WeakPolarHBondContact OE1-CZ 3.36Å
108L95.3Very high88.2Confident0 Ų064.7 Ų64.70%033%0.331CS..Hα-helixtrans-53.4-46.4172.3178.567.7000111.8D104 C111 M112 F113 F123 V156 L158 F177 I209 W211D104-L108 WeakPolarHBondContact O-CB 3.32Å; D104-L108 PolarHBondContact O-N 2.95Å; L108-C111 PolarHBondContact O-N 3.23Å; L108-M112 HydrophobicContact CD1-CG 4.14Å; L108-M112 HydrophobicContact CD1-SD 3.43Å; L108-M112 WeakPolarHBondContact CD1-SD 3.45Å; L108-M112 PolarHBondContact O-N 3.2Å; L108-F113 HydrophobicContact CD1-CE2 4.27Å; L108-F113 HydrophobicContact CD2-CE2 4.14Å; L108-F113 HydrophobicContact CG-CD2 4.25Å; L108-F113 HydrophobicContact CG-CE2 3.95Å; L108-F123 HydrophobicContact CB-CZ 4.48Å; L108-F123 HydrophobicContact CD2-CE2 4.17Å; L108-F123 HydrophobicContact CD2-CZ 4.13Å; L108-F123 HydrophobicContact CG-CE2 4.4Å; L108-F123 HydrophobicContact CG-CZ 4.38Å; L108-V156 HydrophobicContact CD1-CG1 3.85Å; L108-L158 HydrophobicContact CB-CD2 4.02Å; L108-L158 HydrophobicContact CD1-CD2 4.27Å; L108-F177 HydrophobicContact CD1-CD1 4.44Å; L108-I209 HydrophobicContact CD2-CD1 3.64Å; L108-W211 HydrophobicContact CD2-CH2 4.06Å; L108-W211 HydrophobicContact CD2-CZ2 4.32Å
109Y94.9Very high89.6Confident36 Ų3663.6 Ų63.614%0.14132%0.323CS..Iπ-helixtrans-60.3-50.5178.1174.4-105.3000111.4F105 E106 E107 C111 F113 K114 V118 L120 F123F105-Y109 WeakPolarHBondContact O-CB 3.44Å; F105-Y109 PolarHBondContact O-N 2.76Å; E106-Y109 WeakPolarHBondContact O-CB 3.47Å; E106-Y109 PolarHBondContact O-N 2.79Å; E107-Y109 VanDerWaalsContact C-N 3.28Å; E107-Y109 PolarHBondContact O-N 3.1Å; Y109-C111 VanDerWaalsContact C-N 3.34Å; Y109-C111 PolarHBondContact O-N 2.72Å; Y109-F113 HydrophobicContact CD2-CB 3.8Å; Y109-F113 HydrophobicContact CE2-CB 4.27Å; Y109-F113 CarbonylContact O-C 3.59Å; Y109-F113 PolarHBondContact O-N 3.15Å; Y109-K114 HydrophobicContact CD1-CB 4.34Å; Y109-K114 HydrophobicContact CE1-CB 4.02Å; Y109-K114 HydrophobicContact CE1-CD 4.3Å; Y109-K114 HydrophobicContact CE1-CG 4.25Å; Y109-K114 WeakPolarHBondContact O-CB 3.43Å; Y109-K114 PolarHBondContact O-N 2.92Å; Y109-V118 WeakPolarHBondContact CE2-O 3.39Å; Y109-V118 PolarHBondContact OH-O 3.15Å; Y109-L120 HydrophobicContact CD1-CD2 3.99Å; Y109-L120 HydrophobicContact CD2-CD2 4.35Å; Y109-L120 HydrophobicContact CE1-CD2 3.61Å; Y109-L120 HydrophobicContact CE2-CD2 4Å; Y109-L120 HydrophobicContact CG-CD2 4.33Å; Y109-F123 HydrophobicContact CD2-CB 3.89Å; Y109-F123 AromaticContact CD2-CD1 3.87Å; Y109-F123 HydrophobicContact CD2-CD1 3.87Å; Y109-F123 AromaticContact CD2-CD2 3.91Å; Y109-F123 HydrophobicContact CD2-CD2 3.91Å; Y109-F123 HydrophobicContact CD2-CE1 4.41Å; Y109-F123 HydrophobicContact CD2-CE2 4.44Å; Y109-F123 AromaticContact CD2-CG 3.6Å; Y109-F123 HydrophobicContact CD2-CG 3.6Å; Y109-F123 HydrophobicContact CE2-CB 4.17Å; Y109-F123 HydrophobicContact CE2-CG 4.37Å; Y109-F123 HydrophobicContact CG-CD1 4.19Å; Y109-F123 HydrophobicContact CG-CE1 4.38Å; Y109-F123 HydrophobicContact CG-CG 4.35Å
110N93.8Very high90.6Very high57 Ų5765.2 Ų65.231%0.30533%0.332SS..Iπ-helixtrans-63.6-38.5-178.4-76.5-52.1000112.5E106 E107 K114E106-N110 WeakPolarHBondContact O-CB 3.3Å; E106-N110 PolarHBondContact O-N 3.49Å; E106-N110 PolarHBondContact O-ND2 3.3Å; E107-N110 PolarHBondContact O-N 2.92Å; N110-K114 WeakPolarHBondContact OD1-CD 3.45Å; N110-K114 PolarHBondContact OD1-NZ 2.92Å
111C94.7Very high91.3Very high48 Ų4863.9 Ų63.932%0.32432%0.323SS..Iπ-helixtrans-75.9-46.9-178-720000112.8E107 L108 Y109 F177E107-C111 WeakPolarHBondContact O-CB 3.46Å; E107-C111 PolarHBondContact O-N 3.26Å; E107-C111 PolarHBondContact O-SG 2.67Å; E107-C111 VanDerWaalsContact O-SG 3.42Å; L108-C111 PolarHBondContact O-N 3.23Å; Y109-C111 VanDerWaalsContact C-N 3.34Å; Y109-C111 PolarHBondContact O-N 2.72Å; C111-F177 HydrophobicContact CB-CB 4.31Å; C111-F177 HydrophobicContact CB-CD1 3.63Å; C111-F177 HydrophobicContact CB-CD2 4.06Å; C111-F177 HydrophobicContact CB-CE1 3.98Å; C111-F177 HydrophobicContact CB-CE2 4.37Å; C111-F177 HydrophobicContact CB-CG 3.69Å; C111-F177 HydrophobicContact CB-CZ 4.36Å
112M94.9Very high91.9Very high27 Ų2764.9 Ų64.913%0.13333%0.329CS..Iπ-helixtrans-106.3-41.5-169.9-61.5-175.278.400114.2L108 L116 V156 F177 F179L108-M112 HydrophobicContact CD1-CG 4.14Å; L108-M112 HydrophobicContact CD1-SD 3.43Å; L108-M112 WeakPolarHBondContact CD1-SD 3.45Å; L108-M112 PolarHBondContact O-N 3.2Å; M112-L116 WeakPolarHBondContact O-CD1 3.49Å; M112-V156 HydrophobicContact CE-CG2 4.48Å; M112-V156 HydrophobicContact SD-CG1 3.82Å; M112-V156 HydrophobicContact SD-CG2 4.4Å; M112-F177 HydrophobicContact CG-CB 4.13Å; M112-F177 HydrophobicContact SD-CB 4.33Å; M112-F179 HydrophobicContact CE-CD2 4.32Å; M112-F179 HydrophobicContact CE-CE2 3.68Å; M112-F179 HydrophobicContact CE-CZ 4.18Å
113F95.1Very high92.2Very high1 Ų160.2 Ų60.20%0.00430%0.303CS..Iπ-helixtrans-99.8-30.7-165-68.4-81.9000113.9L108 Y109 L116 G117 V118 F123 I126 I229 F230 I233L108-F113 HydrophobicContact CD1-CE2 4.27Å; L108-F113 HydrophobicContact CD2-CE2 4.14Å; L108-F113 HydrophobicContact CG-CD2 4.25Å; L108-F113 HydrophobicContact CG-CE2 3.95Å; Y109-F113 HydrophobicContact CD2-CB 3.8Å; Y109-F113 HydrophobicContact CE2-CB 4.27Å; Y109-F113 CarbonylContact O-C 3.59Å; Y109-F113 PolarHBondContact O-N 3.15Å; F113-L116 PolarHBondContact O-N 2.99Å; F113-G117 PolarHBondContact O-N 3.31Å; F113-V118 HydrophobicContact CB-CB 4.09Å; F113-V118 HydrophobicContact CB-CG2 4.32Å; F113-V118 HydrophobicContact CD1-CG2 4.13Å; F113-V118 PolarHBondContact O-N 3.41Å; F113-F123 HydrophobicContact CB-CD2 4.27Å; F113-F123 HydrophobicContact CD1-CD2 4.49Å; F113-F123 AromaticContact CD2-CD2 3.84Å; F113-F123 HydrophobicContact CD2-CD2 3.84Å; F113-F123 AromaticContact CD2-CE2 3.51Å; F113-F123 HydrophobicContact CD2-CE2 3.51Å; F113-F123 HydrophobicContact CE2-CD2 4.3Å; F113-F123 AromaticContact CE2-CE2 3.79Å; F113-F123 HydrophobicContact CE2-CE2 3.79Å; F113-F123 AromaticContact CG-CD2 3.94Å; F113-F123 HydrophobicContact CG-CD2 3.94Å; F113-F123 HydrophobicContact CG-CE2 4.11Å; F113-I126 HydrophobicContact CD1-CD1 4.2Å; F113-I126 HydrophobicContact CE1-CD1 3.8Å; F113-I126 HydrophobicContact CZ-CD1 4.37Å; F113-I229 HydrophobicContact CD1-CG2 4.13Å; F113-I229 HydrophobicContact CE1-CG2 4.09Å; F113-F230 HydrophobicContact CE1-CE2 4.39Å; F113-F230 HydrophobicContact CZ-CZ 4.45Å; F113-I233 HydrophobicContact CE1-CD1 3.92Å; F113-I233 HydrophobicContact CZ-CD1 3.93Å
114K92.7Very high92.3Very high118 Ų11852.8 Ų52.851%0.51327%0.274SS..G310 helixtrans-63.7-42.8-178.5-176.7174.5-178.2178.30112.3Y109 N110 L116 G117Y109-K114 HydrophobicContact CD1-CB 4.34Å; Y109-K114 HydrophobicContact CE1-CB 4.02Å; Y109-K114 HydrophobicContact CE1-CD 4.3Å; Y109-K114 HydrophobicContact CE1-CG 4.25Å; Y109-K114 WeakPolarHBondContact O-CB 3.43Å; Y109-K114 PolarHBondContact O-N 2.92Å; N110-K114 WeakPolarHBondContact OD1-CD 3.45Å; N110-K114 PolarHBondContact OD1-NZ 2.92Å; K114-L116 PolarHBondContact O-N 3.3Å; K114-G117 PolarHBondContact O-N 2.92Å
115R90.2Very high92.3Very high222 Ų22255.7 Ų55.784%0.83829%0.286SS*.G310 helixtrans-64.5-23.9177.6-59.6-172.6-161.4-133.44112.7G117R115-G117 VanDerWaalsContact C-N 3.31Å
116L92.3Very high92.4Very high73 Ų7355.4 Ų55.438%0.38229%0.285SS..G310 helixtrans-88.53.2177.1-58.4173.6000112.9M112 F113 K114 V118 I229 I233M112-L116 WeakPolarHBondContact O-CD1 3.49Å; F113-L116 PolarHBondContact O-N 2.99Å; K114-L116 PolarHBondContact O-N 3.3Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 HydrophobicContact CB-CG2 4.19Å; L116-V118 PolarHBondContact O-N 2.94Å; L116-I229 HydrophobicContact CB-CD1 4.38Å; L116-I229 HydrophobicContact CD1-CG2 4.16Å; L116-I233 HydrophobicContact CD1-CG2 3.34Å
117G90.2Very high92.4Very high60 Ų6051 Ų5162%0.61927%0.266SS*.THydrogen-bonded Turntrans69.422.4179.500000114.1F113 K114 R115 S119F113-G117 PolarHBondContact O-N 3.31Å; K114-G117 PolarHBondContact O-N 2.92Å; R115-G117 VanDerWaalsContact C-N 3.31Å; G117-S119 PolarHBondContact O-N 2.89Å
118V93.8Very high92.3Very high2 Ų252 Ų521%0.01228%0.278CS..  trans-71.2123177.7179.10000109.1Y109 F113 L116 H122 F123 Y225 I229Y109-V118 WeakPolarHBondContact CE2-O 3.39Å; Y109-V118 PolarHBondContact OH-O 3.15Å; F113-V118 HydrophobicContact CB-CB 4.09Å; F113-V118 HydrophobicContact CB-CG2 4.32Å; F113-V118 HydrophobicContact CD1-CG2 4.13Å; F113-V118 PolarHBondContact O-N 3.41Å; L116-V118 VanDerWaalsContact C-N 3.28Å; L116-V118 HydrophobicContact CB-CG2 4.19Å; L116-V118 PolarHBondContact O-N 2.94Å; V118-H122 HydrophobicContact CG1-CB 3.95Å; V118-F123 HydrophobicContact CG1-CB 4.38Å; V118-Y225 HydrophobicContact CG2-CE1 4.45Å; V118-I229 HydrophobicContact CG2-CD1 4.09Å; V118-I229 HydrophobicContact CG2-CG1 4.08Å; V118-I229 HydrophobicContact CG2-CG2 4.05Å
119S90.1Very high92.1Very high46 Ų4652.7 Ų52.732%0.32228%0.282SS..  trans-68.7149175.862.20000111.9G117 T121 H122 F123G117-S119 PolarHBondContact O-N 2.89Å; S119-T121 PolarHBondContact O-N 3.44Å; S119-T121 PolarHBondContact OG-OG1 2.74Å; S119-T121 VanDerWaalsContact OG-OG1 3.1Å; S119-H122 PolarHBondContact O-N 3.4Å; S119-H122 PolarHBondContact OG-N 3.23Å; S119-H122 PolarHBondContact OG-ND1 2.93Å; S119-F123 PolarHBondContact O-N 2.58Å
120L87.5Confident91.9Very high69 Ų6951.1 Ų51.136%0.36128%0.277SS..Hα-helixtrans-53.2-31.1175.6-66.8172.7000113.9L99 F101 Y109 F123 G124L99-L120 HydrophobicContact CD2-CB 4.46Å; F101-L120 HydrophobicContact CD2-CD2 4.45Å; F101-L120 HydrophobicContact CE2-CD2 4.03Å; Y109-L120 HydrophobicContact CD1-CD2 3.99Å; Y109-L120 HydrophobicContact CD2-CD2 4.35Å; Y109-L120 HydrophobicContact CE1-CD2 3.61Å; Y109-L120 HydrophobicContact CE2-CD2 4Å; Y109-L120 HydrophobicContact CG-CD2 4.33Å; L120-F123 PolarHBondContact O-N 2.91Å; L120-G124 PolarHBondContact O-N 3.1Å
121T87Confident91.6Very high73 Ų7352.4 Ų52.445%0.44828%0.284SS..Hα-helixtrans-68.5-37.817754.90000113L99 S119L99-T121 HydrophobicContact CD2-CG2 4.44Å; S119-T121 PolarHBondContact O-N 3.44Å; S119-T121 PolarHBondContact OG-OG1 2.74Å; S119-T121 VanDerWaalsContact OG-OG1 3.1Å
122H91.6Very high91.2Very high52 Ų5252 Ų5224%0.24129%0.287CS..Hα-helixtrans-72.3-41.1172.5-73.2109.6000110.9V118 S119 G124 K125 I126 Y225V118-H122 HydrophobicContact CG1-CB 3.95Å; S119-H122 PolarHBondContact O-N 3.4Å; S119-H122 PolarHBondContact OG-N 3.23Å; S119-H122 PolarHBondContact OG-ND1 2.93Å; H122-G124 VanDerWaalsContact C-N 3.32Å; H122-G124 PolarHBondContact O-N 2.96Å; H122-K125 WeakPolarHBondContact O-CB 3.36Å; H122-K125 PolarHBondContact O-N 3.01Å; H122-K125 VanDerWaalsContact O-N 3.15Å; H122-I126 PolarHBondContact O-N 3.05Å; H122-Y225 HydrophobicContact CB-CE1 4.38Å
123F93.2Very high90.9Very high0 Ų053.8 Ų53.80%030%0.3CS..Hα-helixtrans-61.2-40.2175.6-174.5-109.6000112.1F101 F105 L108 Y109 F113 V118 S119 L120 K125 I126 V127F101-F123 HydrophobicContact CD1-CD1 4.37Å; F101-F123 HydrophobicContact CD1-CE1 4.2Å; F101-F123 AromaticContact CD2-CD1 3.99Å; F101-F123 HydrophobicContact CD2-CD1 3.99Å; F101-F123 HydrophobicContact CD2-CE1 4.13Å; F101-F123 HydrophobicContact CE1-CD1 4.07Å; F101-F123 HydrophobicContact CE1-CE1 4.31Å; F101-F123 AromaticContact CE2-CD1 3.65Å; F101-F123 HydrophobicContact CE2-CD1 3.65Å; F101-F123 HydrophobicContact CE2-CE1 4.24Å; F101-F123 HydrophobicContact CG-CD1 4.35Å; F101-F123 HydrophobicContact CG-CE1 4.13Å; F101-F123 AromaticContact CZ-CD1 3.7Å; F101-F123 HydrophobicContact CZ-CD1 3.7Å; F101-F123 HydrophobicContact CZ-CE1 4.34Å; F105-F123 HydrophobicContact CB-CE1 4.24Å; F105-F123 HydrophobicContact CB-CZ 4.39Å; F105-F123 VanDerWaalsContact O-CE1 3.31Å; F105-F123 WeakPolarHBondContact O-CE1 3.41Å; F105-F123 WeakPolarHBondContact O-CZ 3.32Å; L108-F123 HydrophobicContact CB-CZ 4.48Å; L108-F123 HydrophobicContact CD2-CE2 4.17Å; L108-F123 HydrophobicContact CD2-CZ 4.13Å; L108-F123 HydrophobicContact CG-CE2 4.4Å; L108-F123 HydrophobicContact CG-CZ 4.38Å; Y109-F123 HydrophobicContact CD2-CB 3.89Å; Y109-F123 AromaticContact CD2-CD1 3.87Å; Y109-F123 HydrophobicContact CD2-CD1 3.87Å; Y109-F123 AromaticContact CD2-CD2 3.91Å; Y109-F123 HydrophobicContact CD2-CD2 3.91Å; Y109-F123 HydrophobicContact CD2-CE1 4.41Å; Y109-F123 HydrophobicContact CD2-CE2 4.44Å; Y109-F123 AromaticContact CD2-CG 3.6Å; Y109-F123 HydrophobicContact CD2-CG 3.6Å; Y109-F123 HydrophobicContact CE2-CB 4.17Å; Y109-F123 HydrophobicContact CE2-CG 4.37Å; Y109-F123 HydrophobicContact CG-CD1 4.19Å; Y109-F123 HydrophobicContact CG-CE1 4.38Å; Y109-F123 HydrophobicContact CG-CG 4.35Å; F113-F123 HydrophobicContact CB-CD2 4.27Å; F113-F123 HydrophobicContact CD1-CD2 4.49Å; F113-F123 AromaticContact CD2-CD2 3.84Å; F113-F123 HydrophobicContact CD2-CD2 3.84Å; F113-F123 AromaticContact CD2-CE2 3.51Å; F113-F123 HydrophobicContact CD2-CE2 3.51Å; F113-F123 HydrophobicContact CE2-CD2 4.3Å; F113-F123 AromaticContact CE2-CE2 3.79Å; F113-F123 HydrophobicContact CE2-CE2 3.79Å; F113-F123 AromaticContact CG-CD2 3.94Å; F113-F123 HydrophobicContact CG-CD2 3.94Å; F113-F123 HydrophobicContact CG-CE2 4.11Å; V118-F123 HydrophobicContact CG1-CB 4.38Å; S119-F123 PolarHBondContact O-N 2.58Å; L120-F123 PolarHBondContact O-N 2.91Å; F123-K125 PolarHBondContact O-N 2.66Å; F123-I126 HydrophobicContact CD2-CD1 4.45Å; F123-I126 WeakPolarHBondContact O-CA 3.43Å; F123-I126 VanDerWaalsContact O-CB 3.3Å; F123-I126 WeakPolarHBondContact O-CB 3.36Å; F123-I126 PolarHBondContact O-N 3Å; F123-V127 HydrophobicContact CD1-CG2 3.91Å; F123-V127 HydrophobicContact CE1-CG2 3.46Å; F123-V127 VanDerWaalsContact CE1-CG2 3.46Å; F123-V127 HydrophobicContact CE2-CG2 4.23Å; F123-V127 HydrophobicContact CG-CG2 4.46Å; F123-V127 HydrophobicContact CZ-CG2 3.65Å; F123-V127 WeakPolarHBondContact O-CG2 3.35Å; F123-V127 PolarHBondContact O-N 3.47Å
124G90.9Very high90.9Very high11 Ų1155.6 Ų55.611%0.11331%0.311CS..Hα-helixtrans-57.5-34.5174.400000113.8F101 L120 H122 V127 T128F101-G124 VanDerWaalsContact CZ-CA 3.49Å; L120-G124 PolarHBondContact O-N 3.1Å; H122-G124 VanDerWaalsContact C-N 3.32Å; H122-G124 PolarHBondContact O-N 2.96Å; G124-V127 PolarHBondContact O-N 2.96Å; G124-T128 WeakPolarHBondContact O-CB 3.38Å; G124-T128 PolarHBondContact O-N 2.71Å; G124-T128 PolarHBondContact O-OG1 3.4Å
125K92.4Very high91.1Very high75 Ų7553.4 Ų53.433%0.32630%0.302SS..Hα-helixtrans-68.9-36.1173.6-61.9170.4178.5179.20112.2H122 F123 S129 L219 H223 I226H122-K125 WeakPolarHBondContact O-CB 3.36Å; H122-K125 PolarHBondContact O-N 3.01Å; H122-K125 VanDerWaalsContact O-N 3.15Å; F123-K125 PolarHBondContact O-N 2.66Å; K125-S129 PolarHBondContact O-N 2.96Å; K125-S129 VanDerWaalsContact O-N 3.12Å; K125-L219 HydrophobicContact CB-CD1 4.14Å; K125-H223 PolarHBondContact NZ-CE1 3.22Å; K125-H223 PolarHBondContact NZ-NE2 3.28Å; K125-I226 HydrophobicContact CB-CD1 4.16Å; K125-I226 HydrophobicContact CD-CD1 4.31Å
126I94.3Very high91.4Very high1 Ų146.3 Ų46.31%0.00528%0.284CS..Hα-helixtrans-64.7-48.3175.3-61.3169.2000109.6F113 H122 F123 T128 S129 S130 W211 L219 I226 F230F113-I126 HydrophobicContact CD1-CD1 4.2Å; F113-I126 HydrophobicContact CE1-CD1 3.8Å; F113-I126 HydrophobicContact CZ-CD1 4.37Å; H122-I126 PolarHBondContact O-N 3.05Å; F123-I126 HydrophobicContact CD2-CD1 4.45Å; F123-I126 WeakPolarHBondContact O-CA 3.43Å; F123-I126 VanDerWaalsContact O-CB 3.3Å; F123-I126 WeakPolarHBondContact O-CB 3.36Å; F123-I126 PolarHBondContact O-N 3Å; I126-T128 VanDerWaalsContact C-N 3.35Å; I126-T128 PolarHBondContact O-N 3.34Å; I126-S129 PolarHBondContact O-N 3.44Å; I126-S129 VanDerWaalsContact O-N 3.1Å; I126-S129 PolarHBondContact O-OG 3.42Å; I126-S130 PolarHBondContact O-N 3Å; I126-W211 HydrophobicContact CG2-CZ2 3.78Å; I126-W211 PolarHBondContact O-NE1 2.83Å; I126-L219 HydrophobicContact CG1-CD2 4.37Å; I126-I226 HydrophobicContact CD1-CG2 4.13Å; I126-I226 HydrophobicContact CG1-CD1 4.26Å; I126-I226 HydrophobicContact CG1-CG2 3.9Å; I126-F230 HydrophobicContact CD1-CE2 3.87Å; I126-F230 HydrophobicContact CG1-CE2 3.99Å; I126-F230 HydrophobicContact CG2-CE2 3.84Å; I126-F230 HydrophobicContact CG2-CZ 3.75Å
127V92.7Very high91.7Very high14 Ų1443.1 Ų43.19%0.08527%0.267CS..Hα-helixtrans-62-41.3177.2175.80000111.9F101 F105 F123 G124 S129 S130 G132F101-V127 HydrophobicContact CD1-CB 4.37Å; F101-V127 HydrophobicContact CD1-CG1 4.25Å; F101-V127 HydrophobicContact CD1-CG2 3.97Å; F101-V127 HydrophobicContact CE1-CB 4.06Å; F101-V127 HydrophobicContact CE1-CG1 4.32Å; F101-V127 HydrophobicContact CE1-CG2 3.83Å; F105-V127 HydrophobicContact CB-CG2 4.35Å; F105-V127 HydrophobicContact CD1-CB 4.24Å; F105-V127 HydrophobicContact CD1-CG1 3.8Å; F105-V127 HydrophobicContact CD1-CG2 3.57Å; F105-V127 HydrophobicContact CD2-CG1 4.25Å; F105-V127 HydrophobicContact CE1-CB 4.35Å; F105-V127 HydrophobicContact CE1-CG1 3.75Å; F105-V127 HydrophobicContact CE1-CG2 4.11Å; F105-V127 HydrophobicContact CE2-CG1 4.23Å; F105-V127 HydrophobicContact CG-CG1 4.06Å; F105-V127 HydrophobicContact CG-CG2 4.11Å; F105-V127 HydrophobicContact CZ-CG1 3.99Å; F123-V127 HydrophobicContact CD1-CG2 3.91Å; F123-V127 HydrophobicContact CE1-CG2 3.46Å; F123-V127 VanDerWaalsContact CE1-CG2 3.46Å; F123-V127 HydrophobicContact CE2-CG2 4.23Å; F123-V127 HydrophobicContact CG-CG2 4.46Å; F123-V127 HydrophobicContact CZ-CG2 3.65Å; F123-V127 WeakPolarHBondContact O-CG2 3.35Å; F123-V127 PolarHBondContact O-N 3.47Å; G124-V127 PolarHBondContact O-N 2.96Å; V127-S129 PolarHBondContact O-N 2.83Å; V127-S130 PolarHBondContact O-N 2.82Å; V127-S130 PolarHBondContact O-OG 2.94Å; V127-G132 PolarHBondContact O-N 3.07Å; V127-G132 VanDerWaalsContact O-N 3.16Å
128T90.8Very high92.1Very high107 Ų10744.9 Ų44.966%0.65626%0.259SS*.Hα-helixtrans-61.7-33.8176.2-55.50000111.3G124 I126 S130 D131G124-T128 WeakPolarHBondContact O-CB 3.38Å; G124-T128 PolarHBondContact O-N 2.71Å; G124-T128 PolarHBondContact O-OG1 3.4Å; I126-T128 VanDerWaalsContact C-N 3.35Å; I126-T128 PolarHBondContact O-N 3.34Å; T128-S130 VanDerWaalsContact C-N 3.33Å; T128-S130 PolarHBondContact O-N 3.5Å; T128-D131 PolarHBondContact O-N 3.31Å
129S91.8Very high92.2Very high14 Ų1451.2 Ų51.210%0.09829%0.287CS..Hα-helixtrans-74.7-18.2179.373.30000114.7K125 I126 V127 D131K125-S129 PolarHBondContact O-N 2.96Å; K125-S129 VanDerWaalsContact O-N 3.12Å; I126-S129 PolarHBondContact O-N 3.44Å; I126-S129 VanDerWaalsContact O-N 3.1Å; I126-S129 PolarHBondContact O-OG 3.42Å; V127-S129 PolarHBondContact O-N 2.83Å; S129-D131 VanDerWaalsContact C-N 3.29Å
130S90.3Very high92.5Very high4 Ų451.1 Ų51.13%0.02829%0.293CS..THydrogen-bonded Turntrans-90.315168.9530000113.1I126 V127 T128 G132 V133 A210 W211I126-S130 PolarHBondContact O-N 3Å; V127-S130 PolarHBondContact O-N 2.82Å; V127-S130 PolarHBondContact O-OG 2.94Å; T128-S130 VanDerWaalsContact C-N 3.33Å; T128-S130 PolarHBondContact O-N 3.5Å; S130-G132 PolarHBondContact O-N 3.41Å; S130-V133 PolarHBondContact O-N 2.63Å; S130-A210 WeakPolarHBondContact CB-O 3.28Å; S130-W211 VanDerWaalsContact CB-CD1 3.5Å
131D87.4Confident93Very high84 Ų8452.4 Ų52.445%0.44930%0.297SS..THydrogen-bonded Turntrans59.711.7-175-59.8-43000114.1T128 S129 V133 K215T128-D131 PolarHBondContact O-N 3.31Å; S129-D131 VanDerWaalsContact C-N 3.29Å; D131-V133 HydrophobicContact CB-CG2 4.25Å; D131-V133 PolarHBondContact O-N 3.32Å; D131-K215 IonicContact OD1-NZ 2.6Å; D131-K215 PolarHBondContact OD1-NZ 3.3Å; D131-K215 IonicContact OD2-NZ 2.76Å; D131-K215 PolarHBondContact OD2-NZ 3.02Å
132G85.3Confident93.5Very high39 Ų3954.4 Ų54.440%0.40230%0.299SS..THydrogen-bonded Turntrans63.118.5-176.600000114.6F105 V127 S130F105-G132 WeakPolarHBondContact CE2-O 3.34Å; V127-G132 PolarHBondContact O-N 3.07Å; V127-G132 VanDerWaalsContact O-N 3.16Å; S130-G132 PolarHBondContact O-N 3.41Å
133V90Very high93.8Very high65 Ų6552.7 Ų52.739%0.39429%0.292SS..PPolyproline II helixtrans-99.3133.5-176.1-1780000111S130 D131S130-V133 PolarHBondContact O-N 2.63Å; D131-V133 HydrophobicContact CB-CG2 4.25Å; D131-V133 PolarHBondContact O-N 3.32Å
134V95.2Very high94Very high38 Ų3852.8 Ų52.823%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-100.8129.1166-179.80000108.2D104 F105 L158 R207 I209D104-V134 HydrophobicContact CB-CG2 3.92Å; F105-V134 HydrophobicContact CE2-CG2 3.88Å; F105-V134 HydrophobicContact CZ-CG2 4.1Å; V134-L158 HydrophobicContact CG1-CD1 3.86Å; V134-L158 HydrophobicContact CG2-CD1 4.25Å; V134-R207 HydrophobicContact CG1-CB 4.08Å; V134-I209 HydrophobicContact CG2-CG1 4.15Å
135H96.2Very high94.3Very high72 Ų7254.2 Ų54.233%0.33330%0.299SS..EExtended strand (participates in β ladder)trans-98.2141.9179.4-63.2-74.2000110.7R207 Y208H135-R207 CarbonylContact O-C 3.56Å; H135-R207 VanDerWaalsContact O-CA 3.25Å; H135-R207 WeakPolarHBondContact O-CA 3.38Å; H135-Y208 HydrophobicContact CB-CD1 3.85Å; H135-Y208 HydrophobicContact CB-CD2 4.17Å; H135-Y208 HydrophobicContact CB-CE1 3.4Å; H135-Y208 VanDerWaalsContact CB-CE1 3.4Å; H135-Y208 HydrophobicContact CB-CE2 3.74Å; H135-Y208 HydrophobicContact CB-CG 4.22Å; H135-Y208 AromaticContact CD2-CE2 3.81Å; H135-Y208 AromaticContact CG-CE2 3.99Å; H135-Y208 AromaticContact CG-CZ 3.88Å; H135-Y208 PolarHBondContact N-O 3.33Å; H135-Y208 PolarHBondContact O-N 2.82Å
136T97.4Very high94.5Very high74 Ų7453 Ų5345%0.45429%0.294SS..EExtended strand (participates in β ladder)trans-104.8137.6172.6-54.50000109.6Q205 C206T136-Q205 HydrophobicContact CG2-CG 4.08Å; T136-C206 CarbonylContact C-O 3.54Å; T136-C206 WeakPolarHBondContact CA-O 3.31Å
137L97.4Very high94.5Very high6 Ų655.1 Ų55.13%0.03132%0.316CS..EExtended strand (participates in β ladder)trans-123.5118.4175.2-173.473.7000107.9Q141 F143 I162 A202 C206 Y208L137-Q141 HydrophobicContact CD1-CB 3.75Å; L137-Q141 VanDerWaalsContact CD1-CD 3.47Å; L137-Q141 HydrophobicContact CD1-CG 3.61Å; L137-Q141 HydrophobicContact CG-CB 4.1Å; L137-Q141 HydrophobicContact CG-CG 4.49Å; L137-F143 HydrophobicContact CD2-CB 3.85Å; L137-I162 HydrophobicContact CD2-CD1 3.81Å; L137-A202 HydrophobicContact CD2-CB 3.7Å; L137-A202 HydrophobicContact CG-CB 3.87Å; L137-C206 HydrophobicContact CB-CB 4.13Å; L137-C206 PolarHBondContact N-O 3.31Å; L137-C206 PolarHBondContact O-N 3.36Å; L137-Y208 HydrophobicContact CB-CD1 4.45Å; L137-Y208 HydrophobicContact CB-CE1 4.21Å
138E97.9Very high94.7Very high96 Ų9662.5 Ų62.545%0.44935%0.347SS..  trans-75.1156.9-177.1-66.9-57.2146.100111.8G140 Q141 A202 Q205E138-G140 PolarHBondContact O-N 3.45Å; E138-Q141 WeakPolarHBondContact O-CB 3.19Å; E138-Q141 PolarHBondContact O-N 3.18Å; E138-A202 VanDerWaalsContact O-CB 3.24Å; E138-A202 WeakPolarHBondContact O-CB 3.22Å; E138-Q205 PolarHBondContact OE1-NE2 3.22Å; E138-Q205 PolarHBondContact OE2-NE2 3.48Å
139K97.5Very high94.9Very high136 Ų13659.2 Ų59.259%0.59133%0.327SS*.THydrogen-bonded Turntrans-55.8131.2177.8175.6164.9-173.8140.20111Q141 D203 D204K139-Q141 VanDerWaalsContact C-N 3.26Å; K139-Q141 PolarHBondContact O-N 3.22Å; K139-D203 WeakPolarHBondContact CD-O 3.39Å; K139-D203 WeakPolarHBondContact CE-O 3.28Å; K139-D203 WeakPolarHBondContact CG-O 3.32Å; K139-D203 PolarHBondContact NZ-O 3.09Å; K139-D204 IonicContact NZ-OD1 3.56Å
140G95.6Very high95.1Very high44 Ų4461.2 Ų61.245%0.45434%0.344SS..THydrogen-bonded Turntrans81.9-8.5-176.500000114.6E138 A202E138-G140 PolarHBondContact O-N 3.45Å; G140-A202 WeakPolarHBondContact CA-O 3.31Å; G140-A202 PolarHBondContact N-O 2.99Å
141Q97.4Very high95.3Very high96 Ų9661.7 Ų61.745%0.44935%0.346SS..  trans-75.9140.8179.4-166.3-178.6-6.900111.1L137 E138 K139 H201 A202L137-Q141 HydrophobicContact CD1-CB 3.75Å; L137-Q141 VanDerWaalsContact CD1-CD 3.47Å; L137-Q141 HydrophobicContact CD1-CG 3.61Å; L137-Q141 HydrophobicContact CG-CB 4.1Å; L137-Q141 HydrophobicContact CG-CG 4.49Å; E138-Q141 WeakPolarHBondContact O-CB 3.19Å; E138-Q141 PolarHBondContact O-N 3.18Å; K139-Q141 VanDerWaalsContact C-N 3.26Å; K139-Q141 PolarHBondContact O-N 3.22Å; Q141-H201 WeakPolarHBondContact O-CA 3.37Å; Q141-A202 PolarHBondContact O-N 2.87Å
142F97.4Very high95.6Very high114 Ų11462.3 Ų62.350%0.535%0.35SS..EExtended strand (participates in β ladder)trans-80.6127.5175.9-63-79.7000111V145 T199 L200 H201F142-V145 HydrophobicContact CB-CG2 3.83Å; F142-V145 HydrophobicContact CD1-CG2 4.15Å; F142-V145 HydrophobicContact CG-CG2 3.93Å; F142-T199 HydrophobicContact CD1-CG2 3.57Å; F142-T199 HydrophobicContact CE1-CG2 3.62Å; F142-L200 CarbonylContact C-O 3.45Å; F142-L200 WeakPolarHBondContact CA-O 3.49Å; F142-H201 HydrophobicContact CD1-CB 3.71Å; F142-H201 HydrophobicContact CE1-CB 3.88Å; F142-H201 HydrophobicContact CG-CB 4.46Å
143F97.8Very high96.1Very high17 Ų1762.5 Ų62.58%0.07534%0.339CS..EExtended strand (participates in β ladder)trans-77.6-44165173.7-95.5000110.6L137 S155 L180 F196 L200 Y208L137-F143 HydrophobicContact CD2-CB 3.85Å; F143-S155 WeakPolarHBondContact CZ-OG 3.48Å; F143-L180 HydrophobicContact CD1-CD1 4.42Å; F143-L180 HydrophobicContact CD2-CD1 3.8Å; F143-L180 HydrophobicContact CE1-CB 3.99Å; F143-L180 HydrophobicContact CE1-CD1 4.24Å; F143-L180 HydrophobicContact CE2-CD1 3.58Å; F143-L180 HydrophobicContact CG-CD1 4.22Å; F143-L180 HydrophobicContact CZ-CB 4.08Å; F143-L180 HydrophobicContact CZ-CD1 3.81Å; F143-F196 HydrophobicContact CE1-CE1 4.31Å; F143-F196 HydrophobicContact CE1-CZ 4.06Å; F143-L200 HydrophobicContact CB-CB 4.02Å; F143-L200 HydrophobicContact CD1-CB 4.13Å; F143-L200 HydrophobicContact CD1-CD2 3.79Å; F143-L200 HydrophobicContact CE1-CD2 4.28Å; F143-L200 PolarHBondContact N-O 3.29Å; F143-Y208 HydrophobicContact CD2-CE1 4.28Å; F143-Y208 HydrophobicContact CD2-CE2 4.28Å; F143-Y208 HydrophobicContact CE2-CD2 4.09Å; F143-Y208 HydrophobicContact CE2-CE1 4.47Å; F143-Y208 AromaticContact CE2-CE2 3.67Å; F143-Y208 HydrophobicContact CE2-CE2 3.67Å; F143-Y208 AromaticContact CE2-CZ 3.87Å
144A97.7Very high96.4Very high1 Ų159.4 Ų59.41%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-147.2148.7177.800000110.2T149 F196 T199 L200A144-T149 WeakPolarHBondContact CA-OG1 3.4Å; A144-T149 HydrophobicContact CB-CG2 3.92Å; A144-F196 HydrophobicContact CB-CB 4.24Å; A144-F196 HydrophobicContact CB-CD1 3.53Å; A144-F196 HydrophobicContact CB-CD2 3.97Å; A144-F196 HydrophobicContact CB-CE1 3.77Å; A144-F196 HydrophobicContact CB-CE2 4.18Å; A144-F196 HydrophobicContact CB-CG 3.64Å; A144-F196 HydrophobicContact CB-CZ 4.09Å; A144-T199 WeakPolarHBondContact O-CA 3.49Å; A144-L200 HydrophobicContact CB-CB 4.45Å; A144-L200 HydrophobicContact CB-CD1 4.47Å; A144-L200 PolarHBondContact N-O 3.33Å; A144-L200 PolarHBondContact O-N 3.02Å
145V97.4Very high96.5Very high42 Ų4257.6 Ų57.626%0.25531%0.31SS..  trans-121.5130.2177.3-177.40000109F142 G147 K148 T149F142-V145 HydrophobicContact CB-CG2 3.83Å; F142-V145 HydrophobicContact CD1-CG2 4.15Å; F142-V145 HydrophobicContact CG-CG2 3.93Å; V145-G147 PolarHBondContact O-N 2.97Å; V145-K148 HydrophobicContact CB-CB 4.23Å; V145-K148 HydrophobicContact CB-CD 4.48Å; V145-K148 HydrophobicContact CG1-CB 4.36Å; V145-K148 HydrophobicContact CG1-CD 3.91Å; V145-K148 HydrophobicContact CG1-CG 4.33Å; V145-K148 PolarHBondContact O-N 3.19Å; V145-K148 VanDerWaalsContact O-N 3.07Å; V145-T149 PolarHBondContact N-OG1 3.49Å; V145-T149 PolarHBondContact O-N 2.79Å
146E96.4Very high96.6Very high50 Ų5054.2 Ų54.223%0.23429%0.294CS..THydrogen-bonded Turntrans-51.4131.4178.2-179173.6-179.300111.3K148 N167 F196 Q197 V198 T199E146-K148 PolarHBondContact O-N 2.93Å; E146-K148 VanDerWaalsContact O-N 3.11Å; E146-N167 PolarHBondContact OE1-OD1 3.32Å; E146-N167 PolarHBondContact OE2-N 3Å; E146-F196 WeakPolarHBondContact CA-O 3.37Å; E146-Q197 WeakPolarHBondContact CG-O 3.43Å; E146-V198 PolarHBondContact N-O 3.33Å; E146-T199 VanDerWaalsContact CB-OG1 3.28Å; E146-T199 WeakPolarHBondContact CB-OG1 3.46Å; E146-T199 PolarHBondContact N-OG1 2.91Å
147G95Very high96.7Very high45 Ų4550.7 Ų50.746%0.46427%0.273SS..THydrogen-bonded Turntrans69.91.2179.100000115.5V145 F196V145-G147 PolarHBondContact O-N 2.97Å; G147-F196 PolarHBondContact N-O 2.77Å
148K95.9Very high96.6Very high168 Ų16850.6 Ų50.673%0.7327%0.272SS*.THydrogen-bonded Turntrans-123.5-44.6-175.4-63.6-175.3-174174.50113.8V145 E146V145-K148 HydrophobicContact CB-CB 4.23Å; V145-K148 HydrophobicContact CB-CD 4.48Å; V145-K148 HydrophobicContact CG1-CB 4.36Å; V145-K148 HydrophobicContact CG1-CD 3.91Å; V145-K148 HydrophobicContact CG1-CG 4.33Å; V145-K148 PolarHBondContact O-N 3.19Å; V145-K148 VanDerWaalsContact O-N 3.07Å; E146-K148 PolarHBondContact O-N 2.93Å; E146-K148 VanDerWaalsContact O-N 3.11Å
149T96.6Very high96.6Very high39 Ų3947.6 Ų47.624%0.23926%0.262CS..SBendtrans-79.2129.9-176.1-58.10000110.1A144 V145 I195 F196A144-T149 WeakPolarHBondContact CA-OG1 3.4Å; A144-T149 HydrophobicContact CB-CG2 3.92Å; V145-T149 PolarHBondContact N-OG1 3.49Å; V145-T149 PolarHBondContact O-N 2.79Å; T149-I195 CarbonylContact O-C 3.57Å; T149-I195 VanDerWaalsContact O-CA 3.3Å; T149-I195 WeakPolarHBondContact O-CA 3.24Å; T149-F196 HydrophobicContact CG2-CD2 3.81Å; T149-F196 HydrophobicContact CG2-CE2 4.04Å; T149-F196 WeakPolarHBondContact O-CD2 3.3Å; T149-F196 PolarHBondContact O-N 3.44Å
150A95.6Very high96.6Very high56 Ų5642.3 Ų42.346%0.46325%0.246SC..BIsolated β-bridgetrans-77.7150.2175.100000111.7D152 G194A150-D152 PolarHBondContact O-N 3.25Å; A150-G194 WeakPolarHBondContact CA-O 3.21Å
151I94.5Very high96.7Very high14 Ų1443.9 Ų43.97%0.07224%0.238CC..  trans-91.489.2178.6-56.1164.9000108.9E184 L188 G194 F196I151-E184 HydrophobicContact CD1-CB 3.7Å; I151-E184 HydrophobicContact CD1-CG 4.04Å; I151-E184 HydrophobicContact CG1-CB 3.98Å; I151-E184 HydrophobicContact CG1-CG 4.36Å; I151-E184 HydrophobicContact CG2-CB 4.01Å; I151-L188 HydrophobicContact CB-CD1 3.62Å; I151-L188 HydrophobicContact CD1-CD1 3.78Å; I151-L188 HydrophobicContact CD1-CG 4.33Å; I151-L188 HydrophobicContact CG1-CD1 4.29Å; I151-L188 HydrophobicContact CG2-CD1 3.69Å; I151-G194 PolarHBondContact N-O 3.29Å; I151-F196 HydrophobicContact CB-CE2 4.46Å; I151-F196 HydrophobicContact CG1-CD2 3.74Å; I151-F196 HydrophobicContact CG1-CE2 3.9Å; I151-F196 HydrophobicContact CG1-CG 4.44Å
152D93.6Very high96.7Very high97 Ų9739.3 Ų39.352%0.51922%0.217SC..  trans-120.8-2.4-174.175.1-22.5000114.6A150 R213A150-D152 PolarHBondContact O-N 3.25Å; D152-R213 WeakPolarHBondContact O-CB 3.35Å; D152-R213 PolarHBondContact O-N 2.85Å
153K95Very high96.7Very high42 Ų4235.4 Ų35.418%0.18320%0.2CC..EExtended strand (participates in β ladder)trans-143.5164.8-176.162.6-171.2179.3178.30111.6A210 W211K153-A210 HydrophobicContact CD-CB 4.03Å; K153-W211 CarbonylContact C-O 3.5Å; K153-W211 VanDerWaalsContact CA-O 3.23Å; K153-W211 WeakPolarHBondContact CA-O 3.31Å; K153-W211 WeakPolarHBondContact CB-O 3.44Å
154L97Very high96.7Very high0 Ų034.7 Ų34.70%020%0.197CC..EExtended strand (participates in β ladder)trans-120.2134.1165.6179.668.3000106.9F179 D181 W185 A210 W211 L216 F230 V234L154-F179 HydrophobicContact CD1-CD1 3.52Å; L154-F179 HydrophobicContact CD1-CE1 3.87Å; L154-F179 HydrophobicContact CD1-CG 4.41Å; L154-F179 HydrophobicContact CD2-CD1 4.21Å; L154-F179 HydrophobicContact CD2-CE1 3.66Å; L154-F179 HydrophobicContact CD2-CZ 4.47Å; L154-F179 HydrophobicContact CG-CD1 3.74Å; L154-F179 HydrophobicContact CG-CE1 3.65Å; L154-D181 WeakPolarHBondContact CA-OD1 3.22Å; L154-D181 WeakPolarHBondContact CA-OD2 3.37Å; L154-W185 HydrophobicContact CB-CD2 4.01Å; L154-W185 HydrophobicContact CB-CE3 3.66Å; L154-W185 HydrophobicContact CB-CG 4.5Å; L154-W185 HydrophobicContact CB-CZ3 4Å; L154-W185 HydrophobicContact CD1-CB 3.75Å; L154-W185 HydrophobicContact CD1-CD2 4.18Å; L154-W185 HydrophobicContact CD1-CG 3.79Å; L154-W185 HydrophobicContact CD2-CD2 4.33Å; L154-W185 HydrophobicContact CD2-CG 4.5Å; L154-W185 HydrophobicContact CG-CD2 4.41Å; L154-W185 HydrophobicContact CG-CG 4.49Å; L154-A210 CarbonylContact O-C 3.58Å; L154-A210 WeakPolarHBondContact O-CA 3.43Å; L154-W211 PolarHBondContact N-O 3.36Å; L154-W211 PolarHBondContact O-N 2.7Å; L154-L216 HydrophobicContact CB-CD2 4.17Å; L154-L216 HydrophobicContact CD2-CD2 3.78Å; L154-F230 HydrophobicContact CD2-CD1 3.87Å; L154-F230 HydrophobicContact CD2-CE1 3.95Å; L154-V234 HydrophobicContact CD1-CG2 4.43Å; L154-V234 HydrophobicContact CD2-CG2 3.95Å
155S97.8Very high96.6Very high0 Ų035.4 Ų35.40%020%0.201CC..EExtended strand (participates in β ladder)trans-139.4142.1-166.2-42.50000111.9F143 F179 L180 D181 I209F143-S155 WeakPolarHBondContact CZ-OG 3.48Å; S155-F179 CarbonylContact O-C 3.54Å; S155-F179 VanDerWaalsContact O-CA 3.3Å; S155-F179 WeakPolarHBondContact O-CA 3.48Å; S155-F179 WeakPolarHBondContact O-CD1 3.37Å; S155-L180 PolarHBondContact O-N 2.93Å; S155-D181 WeakPolarHBondContact CB-OD2 3.37Å; S155-D181 PolarHBondContact N-OD1 2.94Å; S155-D181 PolarHBondContact N-OD2 3.3Å; S155-D181 PolarHBondContact OG-OD2 3.48Å; S155-I209 CarbonylContact C-O 3.59Å; S155-I209 WeakPolarHBondContact CA-O 3.44Å; S155-I209 WeakPolarHBondContact CB-O 3.39Å
156V97.9Very high96.4Very high1 Ų135.4 Ų35.41%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-122132.6177.91710000109.8L108 M112 F179 Y208 I209 W211L108-V156 HydrophobicContact CD1-CG1 3.85Å; M112-V156 HydrophobicContact CE-CG2 4.48Å; M112-V156 HydrophobicContact SD-CG1 3.82Å; M112-V156 HydrophobicContact SD-CG2 4.4Å; V156-F179 HydrophobicContact CG2-CD1 3.33Å; V156-F179 HydrophobicContact CG2-CD2 4.27Å; V156-F179 HydrophobicContact CG2-CE1 3.23Å; V156-F179 HydrophobicContact CG2-CE2 4.2Å; V156-F179 HydrophobicContact CG2-CG 3.87Å; V156-F179 HydrophobicContact CG2-CZ 3.7Å; V156-Y208 VanDerWaalsContact O-CA 3.22Å; V156-Y208 WeakPolarHBondContact O-CA 3.43Å; V156-Y208 VanDerWaalsContact O-CB 3.26Å; V156-Y208 WeakPolarHBondContact O-CB 3.46Å; V156-I209 PolarHBondContact N-O 3.39Å; V156-I209 PolarHBondContact O-N 2.88Å; V156-W211 HydrophobicContact CB-CZ3 4.2Å; V156-W211 HydrophobicContact CG2-CH2 4.31Å; V156-W211 HydrophobicContact CG2-CZ3 3.81Å
157L98.2Very high96.3Very high1 Ų139.6 Ų39.61%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-74.9133.9174.5-16665.6000110.1S159 I162 I174 F177 Q178 L180 C206L157-S159 WeakPolarHBondContact CD1-O 3.46Å; L157-I162 HydrophobicContact CD1-CD1 4.46Å; L157-I162 HydrophobicContact CD1-CG1 4.03Å; L157-I162 HydrophobicContact CD2-CG1 4.1Å; L157-I174 WeakPolarHBondContact CD2-O 3.48Å; L157-F177 WeakPolarHBondContact O-CA 3.31Å; L157-F177 PolarHBondContact O-N 3.42Å; L157-Q178 PolarHBondContact N-O 3.27Å; L157-L180 HydrophobicContact CB-CD2 3.94Å; L157-L180 HydrophobicContact CB-CG 4.46Å; L157-L180 HydrophobicContact CD1-CD2 4.32Å; L157-C206 HydrophobicContact CD1-CB 3.85Å
158L97.4Very high96Very high4 Ų440.5 Ų40.52%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-103.2-37.6176.5-66176000112.4D104 L108 V134 F177 R207 I209D104-L158 HydrophobicContact CB-CD1 3.84Å; L108-L158 HydrophobicContact CB-CD2 4.02Å; L108-L158 HydrophobicContact CD1-CD2 4.27Å; V134-L158 HydrophobicContact CG1-CD1 3.86Å; V134-L158 HydrophobicContact CG2-CD1 4.25Å; L158-F177 HydrophobicContact CD2-CE1 4.22Å; L158-R207 HydrophobicContact CB-CB 4.38Å; L158-R207 WeakPolarHBondContact CB-O 3.26Å; L158-R207 PolarHBondContact N-O 3.11Å; L158-I209 HydrophobicContact CD1-CD1 3.76Å; L158-I209 HydrophobicContact CD1-CG1 3.84Å; L158-I209 HydrophobicContact CD2-CD1 4Å; L158-I209 HydrophobicContact CG-CD1 4.2Å; L158-I209 HydrophobicContact CG-CG1 4.4Å
159S97.4Very high95.9Very high33 Ų3339.8 Ų39.823%0.23123%0.234CC..EExtended strand (participates in β ladder)trans-152.7158.8-179.964.30000110.6L157 C206 R207L157-S159 WeakPolarHBondContact CD1-O 3.46Å; S159-C206 VanDerWaalsContact O-CA 3.27Å; S159-C206 WeakPolarHBondContact O-CA 3.46Å; S159-R207 PolarHBondContact N-O 2.73Å; S159-R207 PolarHBondContact O-N 3.46Å; S159-R207 VanDerWaalsContact O-N 3.11Å; S159-R207 WeakPolarHBondContact OG-CB 3.39Å; S159-R207 PolarHBondContact OG-NE 3.02Å
160G96.9Very high95.7Very high25 Ų2542.5 Ų42.526%0.25824%0.242SC..SBendtrans86.5-164-176.900000112.6P176G160-P176 WeakPolarHBondContact O-CD 3.5Å
161R97.8Very high95.5Very high77 Ų7742.4 Ų42.429%0.29123%0.234SC..  trans-142.7132.3-177.9-178.3173.265.7-163.3-4.3110.3Y173 Y175 D203 C206R161-Y173 VanDerWaalsContact CD-CD1 3.47Å; R161-Y173 HydrophobicContact CG-CD1 3.61Å; R161-Y173 HydrophobicContact CG-CE1 4.35Å; R161-Y173 HydrophobicContact CG-CG 4.08Å; R161-Y175 HydrophobicContact CG-CD1 4.5Å; R161-Y175 HydrophobicContact CG-CE1 4.27Å; R161-D203 IonicContact CZ-OD2 2.76Å; R161-D203 IonicContact NE-OD2 3.8Å; R161-D203 PolarHBondContact NE-OD2 2.79Å; R161-D203 IonicContact NH2-OD2 3.23Å; R161-D203 PolarHBondContact NH2-OD2 3.47Å; R161-D203 PolarHBondContact O-N 3.43Å; R161-C206 PolarHBondContact N-SG 3.13Å; R161-C206 PolarHBondContact O-SG 2.88Å
162I98.3Very high95.4Very high0 Ų042.6 Ų42.60%023%0.234CC..EExtended strand (participates in β ladder)trans-103.2134.4174.6-61-60.3000109.3L137 L157 V164 Y173 I174 L180 L200 H201 A202 C206L137-I162 HydrophobicContact CD2-CD1 3.81Å; L157-I162 HydrophobicContact CD1-CD1 4.46Å; L157-I162 HydrophobicContact CD1-CG1 4.03Å; L157-I162 HydrophobicContact CD2-CG1 4.1Å; I162-V164 HydrophobicContact CG2-CG2 4.47Å; I162-Y173 CarbonylContact O-C 3.57Å; I162-Y173 VanDerWaalsContact O-CA 3.27Å; I162-Y173 WeakPolarHBondContact O-CA 3.37Å; I162-I174 HydrophobicContact CB-CB 4.2Å; I162-I174 PolarHBondContact N-O 3.28Å; I162-I174 PolarHBondContact O-N 3.1Å; I162-L180 HydrophobicContact CB-CD2 4.32Å; I162-L180 HydrophobicContact CG1-CD2 3.69Å; I162-L200 HydrophobicContact CG2-CB 3.84Å; I162-L200 HydrophobicContact CG2-CD2 4.12Å; I162-L200 HydrophobicContact CG2-CG 3.99Å; I162-H201 WeakPolarHBondContact CA-O 3.5Å; I162-A202 HydrophobicContact CD1-CB 4.18Å; I162-C206 HydrophobicContact CD1-CB 4.11Å; I162-C206 VanDerWaalsContact CD1-SG 3.57Å
163H97.3Very high95.5Very high31 Ų3141.3 Ų41.314%0.14422%0.223CC..EExtended strand (participates in β ladder)trans-99125.8173.5-178.2-70.3000109.5T165 F170 Y173 H201 D203H163-T165 WeakPolarHBondContact CE1-CG2 3.39Å; H163-T165 WeakPolarHBondContact ND1-CG2 3.29Å; H163-F170 AromaticContact CD2-CD2 3.62Å; H163-F170 AromaticContact CD2-CE2 3.71Å; H163-F170 AromaticContact CE1-CD2 3.37Å; H163-F170 WeakPolarHBondContact CE1-CD2 3.49Å; H163-F170 AromaticContact ND1-CD2 3.88Å; H163-F170 AromaticContact NE2-CD2 3.13Å; H163-F170 WeakPolarHBondContact NE2-CD2 3.48Å; H163-F170 AromaticContact NE2-CE2 3.73Å; H163-F170 AromaticContact NE2-CG 3.88Å; H163-Y173 HydrophobicContact CB-CD1 4.14Å; H163-Y173 HydrophobicContact CB-CE1 3.92Å; H163-Y173 AromaticContact CD2-CE1 3.5Å; H163-Y173 VanDerWaalsContact CD2-CE1 3.5Å; H163-Y173 WeakPolarHBondContact CD2-CE1 3.34Å; H163-Y173 AromaticContact CD2-CZ 3.87Å; H163-H201 AromaticContact CE1-CE1 3.78Å; H163-H201 AromaticContact CG-CE1 3.49Å; H163-H201 VanDerWaalsContact CG-CE1 3.49Å; H163-H201 AromaticContact CG-NE2 3.7Å; H163-H201 PolarHBondContact N-O 3.36Å; H163-H201 AromaticContact ND1-CE1 3.09Å; H163-H201 PolarHBondContact ND1-CE1 3.45Å; H163-H201 AromaticContact ND1-ND1 3.85Å; H163-H201 AromaticContact ND1-NE2 3.76Å; H163-H201 PolarHBondContact O-N 3.34Å; H163-H201 VanDerWaalsContact O-N 3.08Å; H163-H201 PolarHBondContact O-ND1 3.38Å; H163-D203 HydrophobicContact CB-CB 4.45Å
164V96.8Very high95.6Very high3 Ų339.5 Ų39.52%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-106.4130.5-177.8-169.50000109.9I162 L171 H172 I174 V198 T199 L200I162-V164 HydrophobicContact CG2-CG2 4.47Å; V164-L171 HydrophobicContact CB-CB 4.44Å; V164-L171 HydrophobicContact CG1-CB 4.38Å; V164-L171 HydrophobicContact CG1-CD2 4.14Å; V164-L171 PolarHBondContact O-N 2.81Å; V164-H172 WeakPolarHBondContact CB-O 3.28Å; V164-H172 WeakPolarHBondContact CG2-O 3.19Å; V164-H172 PolarHBondContact N-O 2.99Å; V164-I174 HydrophobicContact CG2-CD1 3.59Å; V164-I174 HydrophobicContact CG2-CG1 3.7Å; V164-V198 HydrophobicContact CG1-CB 4.01Å; V164-V198 HydrophobicContact CG1-CG2 4.15Å; V164-T199 WeakPolarHBondContact CA-O 3.42Å; V164-L200 HydrophobicContact CG1-CD1 4.27Å; V164-L200 HydrophobicContact CG2-CG 4.28Å
165T95.4Very high95.6Very high16 Ų1644.8 Ų44.810%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-126.4153.5173.2560000112.6H163 E169 V198 T199H163-T165 WeakPolarHBondContact CE1-CG2 3.39Å; H163-T165 WeakPolarHBondContact ND1-CG2 3.29Å; T165-E169 CarbonylContact C-O 3.56Å; T165-E169 WeakPolarHBondContact CA-O 3.24Å; T165-E169 WeakPolarHBondContact CB-O 3.36Å; T165-V198 WeakPolarHBondContact O-CA 3.26Å; T165-V198 WeakPolarHBondContact O-CB 3.46Å; T165-T199 PolarHBondContact N-O 3.31Å; T165-T199 PolarHBondContact O-N 3.2Å; T165-T199 WeakPolarHBondContact OG1-CB 3.21Å
166V94.1Very high95.6Very high42 Ų4247.1 Ų47.126%0.25525%0.251SS..EExtended strand (participates in β ladder)trans-129.9125.9171.3-165.30000107.6G168 E169 L171 V198V166-G168 PolarHBondContact O-N 3.08Å; V166-E169 PolarHBondContact N-O 3.37Å; V166-E169 PolarHBondContact O-N 3.39Å; V166-L171 HydrophobicContact CG2-CB 4.18Å; V166-L171 HydrophobicContact CG2-CD1 4.31Å; V166-L171 HydrophobicContact CG2-CD2 3.78Å; V166-L171 HydrophobicContact CG2-CG 4.29Å; V166-V198 HydrophobicContact CG2-CB 4.35Å; V166-V198 HydrophobicContact CG2-CG1 3.54Å
167N93.1Very high95.6Very high137 Ų13749.2 Ų49.273%0.73326%0.26SS*.THydrogen-bonded Turntrans51.729-174.3-63.2-61.2000113.9E146 E169E146-N167 PolarHBondContact OE1-OD1 3.32Å; E146-N167 PolarHBondContact OE2-N 3Å; N167-E169 VanDerWaalsContact C-N 3.31Å; N167-E169 PolarHBondContact O-N 3.44Å
168G90.4Very high95.5Very high64 Ų6451.9 Ų51.966%0.6627%0.273SS*.THydrogen-bonded Turntrans83.9-9.5-17700000115.6V166V166-G168 PolarHBondContact O-N 3.08Å
169E92.1Very high95.6Very high154 Ų15451.8 Ų51.872%0.7227%0.272SS*.EExtended strand (participates in β ladder)trans-85.2142.4175.5-64.7-167.5159.700111.6T165 V166 N167 L171T165-E169 CarbonylContact C-O 3.56Å; T165-E169 WeakPolarHBondContact CA-O 3.24Å; T165-E169 WeakPolarHBondContact CB-O 3.36Å; V166-E169 PolarHBondContact N-O 3.37Å; V166-E169 PolarHBondContact O-N 3.39Å; N167-E169 VanDerWaalsContact C-N 3.31Å; N167-E169 PolarHBondContact O-N 3.44Å; E169-L171 PolarHBondContact O-N 2.96Å
170F92.4Very high95.6Very high95 Ų9550.4 Ų50.442%0.41726%0.262SS..EExtended strand (participates in β ladder)trans-68.9129.9177.6172.4-113.6000111.6H163 H172 Y173H163-F170 AromaticContact CD2-CD2 3.62Å; H163-F170 AromaticContact CD2-CE2 3.71Å; H163-F170 AromaticContact CE1-CD2 3.37Å; H163-F170 WeakPolarHBondContact CE1-CD2 3.49Å; H163-F170 AromaticContact ND1-CD2 3.88Å; H163-F170 AromaticContact NE2-CD2 3.13Å; H163-F170 WeakPolarHBondContact NE2-CD2 3.48Å; H163-F170 AromaticContact NE2-CE2 3.73Å; H163-F170 AromaticContact NE2-CG 3.88Å; F170-H172 WeakPolarHBondContact CE2-O 3.36Å; F170-Y173 HydrophobicContact CE1-CE2 4.39Å; F170-Y173 HydrophobicContact CE2-CD1 4.22Å; F170-Y173 HydrophobicContact CE2-CD2 4.03Å; F170-Y173 HydrophobicContact CE2-CE1 4.13Å; F170-Y173 AromaticContact CE2-CE2 3.88Å; F170-Y173 HydrophobicContact CE2-CE2 3.88Å; F170-Y173 HydrophobicContact CE2-CG 4.17Å; F170-Y173 AromaticContact CE2-CZ 3.93Å; F170-Y173 AromaticContact CZ-CD2 3.55Å; F170-Y173 HydrophobicContact CZ-CD2 3.55Å; F170-Y173 AromaticContact CZ-CE2 3.46Å; F170-Y173 HydrophobicContact CZ-CE2 3.46Å; F170-Y173 VanDerWaalsContact CZ-CE2 3.46Å; F170-Y173 HydrophobicContact CZ-CG 4.1Å; F170-Y173 AromaticContact CZ-CZ 3.99Å
171L91.5Very high95.6Very high55 Ų5549.2 Ų49.229%0.28825%0.25SC..EExtended strand (participates in β ladder)trans-102.3-67.1178.2-170.668.6000111V164 V166 E169 L245V164-L171 HydrophobicContact CB-CB 4.44Å; V164-L171 HydrophobicContact CG1-CB 4.38Å; V164-L171 HydrophobicContact CG1-CD2 4.14Å; V164-L171 PolarHBondContact O-N 2.81Å; V166-L171 HydrophobicContact CG2-CB 4.18Å; V166-L171 HydrophobicContact CG2-CD1 4.31Å; V166-L171 HydrophobicContact CG2-CD2 3.78Å; V166-L171 HydrophobicContact CG2-CG 4.29Å; E169-L171 PolarHBondContact O-N 2.96Å; L171-L245 HydrophobicContact CD1-CD1 4.28Å; L171-L245 HydrophobicContact CD1-CD2 3.7Å; L171-L245 HydrophobicContact CD2-CD1 4.31Å; L171-L245 HydrophobicContact CD2-CD2 4.45Å; L171-L245 HydrophobicContact CG-CD1 4.36Å; L171-L245 HydrophobicContact CG-CD2 3.69Å
172H93.6Very high95.5Very high17 Ų1745.6 Ų45.68%0.07924%0.236CC..EExtended strand (participates in β ladder)trans-161.8170.5178.664.8-70.3000111.4V164 F170 L245V164-H172 WeakPolarHBondContact CB-O 3.28Å; V164-H172 WeakPolarHBondContact CG2-O 3.19Å; V164-H172 PolarHBondContact N-O 2.99Å; F170-H172 WeakPolarHBondContact CE2-O 3.36Å; H172-L245 HydrophobicContact CB-CD2 4.15Å
173Y95.6Very high95.3Very high71 Ų7148 Ų4828%0.27825%0.251SS..EExtended strand (participates in β ladder)trans-95.5145.4168-68.9-70.1000110.4R161 I162 H163 F170R161-Y173 VanDerWaalsContact CD-CD1 3.47Å; R161-Y173 HydrophobicContact CG-CD1 3.61Å; R161-Y173 HydrophobicContact CG-CE1 4.35Å; R161-Y173 HydrophobicContact CG-CG 4.08Å; I162-Y173 CarbonylContact O-C 3.57Å; I162-Y173 VanDerWaalsContact O-CA 3.27Å; I162-Y173 WeakPolarHBondContact O-CA 3.37Å; H163-Y173 HydrophobicContact CB-CD1 4.14Å; H163-Y173 HydrophobicContact CB-CE1 3.92Å; H163-Y173 AromaticContact CD2-CE1 3.5Å; H163-Y173 VanDerWaalsContact CD2-CE1 3.5Å; H163-Y173 WeakPolarHBondContact CD2-CE1 3.34Å; H163-Y173 AromaticContact CD2-CZ 3.87Å; F170-Y173 HydrophobicContact CE1-CE2 4.39Å; F170-Y173 HydrophobicContact CE2-CD1 4.22Å; F170-Y173 HydrophobicContact CE2-CD2 4.03Å; F170-Y173 HydrophobicContact CE2-CE1 4.13Å; F170-Y173 AromaticContact CE2-CE2 3.88Å; F170-Y173 HydrophobicContact CE2-CE2 3.88Å; F170-Y173 HydrophobicContact CE2-CG 4.17Å; F170-Y173 AromaticContact CE2-CZ 3.93Å; F170-Y173 AromaticContact CZ-CD2 3.55Å; F170-Y173 HydrophobicContact CZ-CD2 3.55Å; F170-Y173 AromaticContact CZ-CE2 3.46Å; F170-Y173 HydrophobicContact CZ-CE2 3.46Å; F170-Y173 VanDerWaalsContact CZ-CE2 3.46Å; F170-Y173 HydrophobicContact CZ-CG 4.1Å; F170-Y173 AromaticContact CZ-CZ 3.99Å
174I97.5Very high95.2Very high3 Ų347.4 Ų47.42%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-106.4130.7167.5-53.7171.5000108.3L157 I162 V164 Q178 L180 L200L157-I174 WeakPolarHBondContact CD2-O 3.48Å; I162-I174 HydrophobicContact CB-CB 4.2Å; I162-I174 PolarHBondContact N-O 3.28Å; I162-I174 PolarHBondContact O-N 3.1Å; V164-I174 HydrophobicContact CG2-CD1 3.59Å; V164-I174 HydrophobicContact CG2-CG1 3.7Å; I174-Q178 HydrophobicContact CG2-CB 3.68Å; I174-L180 HydrophobicContact CB-CD2 4.44Å; I174-L180 HydrophobicContact CD1-CD2 4.29Å; I174-L180 HydrophobicContact CG2-CD2 3.98Å; I174-L200 HydrophobicContact CD1-CD2 4.08Å
175Y97.1Very high95Very high112 Ų11248 Ų4844%0.43925%0.251SS..  trans-109.1167.3-173.9-68-79.5000112R161 Q178R161-Y175 HydrophobicContact CG-CD1 4.5Å; R161-Y175 HydrophobicContact CG-CE1 4.27Å; Y175-Q178 VanDerWaalsContact O-CB 3.32Å; Y175-Q178 WeakPolarHBondContact O-CB 3.2Å; Y175-Q178 PolarHBondContact O-N 3.47Å
176P97.6Very high94.9Very high49 Ų4951.7 Ų51.732%0.31827%0.27SS..THydrogen-bonded Turntrans-52.2143178.3-31.239.8000113.3G160 Q178G160-P176 WeakPolarHBondContact O-CD 3.5Å; P176-Q178 PolarHBondContact O-N 2.92Å
177F96.8Very high94.7Very high45 Ų4553.5 Ų53.520%0.19729%0.285CS..THydrogen-bonded Turntrans64.819-176.2-44.9-71.5000115.4E107 L108 C111 M112 L157 L158E107-F177 HydrophobicContact CB-CE1 4.46Å; E107-F177 HydrophobicContact CB-CZ 4.46Å; E107-F177 HydrophobicContact CG-CE1 3.97Å; E107-F177 HydrophobicContact CG-CZ 3.54Å; E107-F177 WeakPolarHBondContact OE1-CZ 3.36Å; L108-F177 HydrophobicContact CD1-CD1 4.44Å; C111-F177 HydrophobicContact CB-CB 4.31Å; C111-F177 HydrophobicContact CB-CD1 3.63Å; C111-F177 HydrophobicContact CB-CD2 4.06Å; C111-F177 HydrophobicContact CB-CE1 3.98Å; C111-F177 HydrophobicContact CB-CE2 4.37Å; C111-F177 HydrophobicContact CB-CG 3.69Å; C111-F177 HydrophobicContact CB-CZ 4.36Å; M112-F177 HydrophobicContact CG-CB 4.13Å; M112-F177 HydrophobicContact SD-CB 4.33Å; L157-F177 WeakPolarHBondContact O-CA 3.31Å; L157-F177 PolarHBondContact O-N 3.42Å; L158-F177 HydrophobicContact CD2-CE1 4.22Å
178Q97.4Very high94.5Very high57 Ų5747.9 Ų47.927%0.26626%0.255SS..SBendtrans-104.6152.6166.9-61.9-179-32.900110.3L157 I174 Y175 P176 D237L157-Q178 PolarHBondContact N-O 3.27Å; I174-Q178 HydrophobicContact CG2-CB 3.68Å; Y175-Q178 VanDerWaalsContact O-CB 3.32Å; Y175-Q178 WeakPolarHBondContact O-CB 3.2Å; Y175-Q178 PolarHBondContact O-N 3.47Å; P176-Q178 PolarHBondContact O-N 2.92Å; Q178-D237 WeakPolarHBondContact CA-OD1 3.42Å; Q178-D237 WeakPolarHBondContact CB-OD1 3.31Å
179F98.1Very high94.2Very high2 Ų253.7 Ų53.71%0.00926%0.256CS..BIsolated β-bridgetrans-72.5145.5174.3-74.8-87.7000110.4M112 L154 S155 V156 S182 I233 V234 D237 K241M112-F179 HydrophobicContact CE-CD2 4.32Å; M112-F179 HydrophobicContact CE-CE2 3.68Å; M112-F179 HydrophobicContact CE-CZ 4.18Å; L154-F179 HydrophobicContact CD1-CD1 3.52Å; L154-F179 HydrophobicContact CD1-CE1 3.87Å; L154-F179 HydrophobicContact CD1-CG 4.41Å; L154-F179 HydrophobicContact CD2-CD1 4.21Å; L154-F179 HydrophobicContact CD2-CE1 3.66Å; L154-F179 HydrophobicContact CD2-CZ 4.47Å; L154-F179 HydrophobicContact CG-CD1 3.74Å; L154-F179 HydrophobicContact CG-CE1 3.65Å; S155-F179 CarbonylContact O-C 3.54Å; S155-F179 VanDerWaalsContact O-CA 3.3Å; S155-F179 WeakPolarHBondContact O-CA 3.48Å; S155-F179 WeakPolarHBondContact O-CD1 3.37Å; V156-F179 HydrophobicContact CG2-CD1 3.33Å; V156-F179 HydrophobicContact CG2-CD2 4.27Å; V156-F179 HydrophobicContact CG2-CE1 3.23Å; V156-F179 HydrophobicContact CG2-CE2 4.2Å; V156-F179 HydrophobicContact CG2-CG 3.87Å; V156-F179 HydrophobicContact CG2-CZ 3.7Å; F179-S182 VanDerWaalsContact CB-CB 3.49Å; F179-S182 WeakPolarHBondContact CB-OG 3.37Å; F179-I233 HydrophobicContact CE2-CB 4.18Å; F179-I233 HydrophobicContact CE2-CD1 4.14Å; F179-I233 HydrophobicContact CE2-CG1 3.84Å; F179-I233 HydrophobicContact CZ-CD1 3.74Å; F179-I233 HydrophobicContact CZ-CG1 3.82Å; F179-V234 HydrophobicContact CE1-CG2 4.26Å; F179-V234 HydrophobicContact CE2-CG2 4.18Å; F179-V234 HydrophobicContact CZ-CG2 3.97Å; F179-D237 HydrophobicContact CD2-CB 3.78Å; F179-D237 PolarHBondContact N-OD1 3.44Å; F179-K241 WeakPolarHBondContact O-CE 3.29Å; F179-K241 PolarHBondContact O-NZ 2.83Å
180L97.6Very high93.7Very high3 Ų350.5 Ų50.52%0.01625%0.249CC..SBendtrans-82.2-35.8174.7-62.7-179.1000111.6F143 S155 L157 I162 I174 L200 Y208F143-L180 HydrophobicContact CD1-CD1 4.42Å; F143-L180 HydrophobicContact CD2-CD1 3.8Å; F143-L180 HydrophobicContact CE1-CB 3.99Å; F143-L180 HydrophobicContact CE1-CD1 4.24Å; F143-L180 HydrophobicContact CE2-CD1 3.58Å; F143-L180 HydrophobicContact CG-CD1 4.22Å; F143-L180 HydrophobicContact CZ-CB 4.08Å; F143-L180 HydrophobicContact CZ-CD1 3.81Å; S155-L180 PolarHBondContact O-N 2.93Å; L157-L180 HydrophobicContact CB-CD2 3.94Å; L157-L180 HydrophobicContact CB-CG 4.46Å; L157-L180 HydrophobicContact CD1-CD2 4.32Å; I162-L180 HydrophobicContact CB-CD2 4.32Å; I162-L180 HydrophobicContact CG1-CD2 3.69Å; I174-L180 HydrophobicContact CB-CD2 4.44Å; I174-L180 HydrophobicContact CD1-CD2 4.29Å; I174-L180 HydrophobicContact CG2-CD2 3.98Å; L180-L200 HydrophobicContact CB-CD2 4.13Å; L180-L200 WeakPolarHBondContact O-CD2 3.32Å; L180-Y208 HydrophobicContact CD1-CD2 4.41Å; L180-Y208 HydrophobicContact CD1-CG 4.22Å
181D96.3Very high93.1Very high1 Ų151.7 Ų51.71%0.00527%0.269CS..SBendtrans-134.726-161.751.64.8000111.9L154 S155 E184 W185 F196L154-D181 WeakPolarHBondContact CA-OD1 3.22Å; L154-D181 WeakPolarHBondContact CA-OD2 3.37Å; S155-D181 WeakPolarHBondContact CB-OD2 3.37Å; S155-D181 PolarHBondContact N-OD1 2.94Å; S155-D181 PolarHBondContact N-OD2 3.3Å; S155-D181 PolarHBondContact OG-OD2 3.48Å; D181-E184 WeakPolarHBondContact CA-OE2 3.47Å; D181-W185 WeakPolarHBondContact O-CB 3.37Å; D181-W185 PolarHBondContact O-N 3.06Å; D181-F196 HydrophobicContact CB-CE1 3.87Å; D181-F196 HydrophobicContact CB-CZ 3.62Å
182S96.6Very high93Very high0 Ų053.4 Ų53.40%028%0.276CS..Hα-helixtrans-64-42.1179.846.50000114.1F179 W185 D186 D237 K241F179-S182 VanDerWaalsContact CB-CB 3.49Å; F179-S182 WeakPolarHBondContact CB-OG 3.37Å; S182-W185 PolarHBondContact O-N 2.96Å; S182-D186 WeakPolarHBondContact O-CB 3.4Å; S182-D186 PolarHBondContact O-N 3.05Å; S182-D186 VanDerWaalsContact O-N 3.1Å; S182-D237 PolarHBondContact OG-OD2 2.88Å; S182-K241 PolarHBondContact OG-NZ 3.29Å
183P94.6Very high92.8Very high50 Ų5061.5 Ų61.533%0.32531%0.314SS..Hα-helixtrans-64.8-44.5174.8-20.134.5000111.9W185 D186 S187 I238 K241P183-W185 VanDerWaalsContact C-N 3.31Å; P183-W185 PolarHBondContact O-N 3.24Å; P183-D186 PolarHBondContact O-N 3.46Å; P183-S187 WeakPolarHBondContact O-CB 3.26Å; P183-S187 PolarHBondContact O-N 3.26Å; P183-S187 PolarHBondContact O-OG 3.18Å; P183-I238 HydrophobicContact CG-CG1 4.46Å; P183-K241 HydrophobicContact CG-CD 4.25Å
184E94.1Very high92.6Very high20 Ų2059 Ų599%0.09331%0.31CS..Hα-helixtrans-59.5-43.7177.3-69.774.3-159.700110.9I151 D181 S187 F196 V198I151-E184 HydrophobicContact CD1-CB 3.7Å; I151-E184 HydrophobicContact CD1-CG 4.04Å; I151-E184 HydrophobicContact CG1-CB 3.98Å; I151-E184 HydrophobicContact CG1-CG 4.36Å; I151-E184 HydrophobicContact CG2-CB 4.01Å; D181-E184 WeakPolarHBondContact CA-OE2 3.47Å; E184-S187 PolarHBondContact O-OG 2.95Å; E184-F196 HydrophobicContact CB-CE1 4.42Å; E184-F196 HydrophobicContact CG-CD1 3.75Å; E184-F196 HydrophobicContact CG-CE1 3.83Å; E184-F196 HydrophobicContact CG-CG 4.25Å; E184-F196 HydrophobicContact CG-CZ 4.4Å; E184-V198 WeakPolarHBondContact OE1-CG2 3.43Å
185W93Very high92.4Very high14 Ų1462.7 Ų62.75%0.05333%0.329CS..Hα-helixtrans-60.1-47.8176.9172-90000113.5L154 D181 S182 P183 R213 L216 Y217 F220L154-W185 HydrophobicContact CB-CD2 4.01Å; L154-W185 HydrophobicContact CB-CE3 3.66Å; L154-W185 HydrophobicContact CB-CG 4.5Å; L154-W185 HydrophobicContact CB-CZ3 4Å; L154-W185 HydrophobicContact CD1-CB 3.75Å; L154-W185 HydrophobicContact CD1-CD2 4.18Å; L154-W185 HydrophobicContact CD1-CG 3.79Å; L154-W185 HydrophobicContact CD2-CD2 4.33Å; L154-W185 HydrophobicContact CD2-CG 4.5Å; L154-W185 HydrophobicContact CG-CD2 4.41Å; L154-W185 HydrophobicContact CG-CG 4.49Å; D181-W185 WeakPolarHBondContact O-CB 3.37Å; D181-W185 PolarHBondContact O-N 3.06Å; S182-W185 PolarHBondContact O-N 2.96Å; P183-W185 VanDerWaalsContact C-N 3.31Å; P183-W185 PolarHBondContact O-N 3.24Å; W185-R213 VanDerWaalsContact CD2-NH1 3.3Å; W185-R213 HydrophobicContact CE3-CG 4.31Å; W185-R213 HydrophobicContact CH2-CB 4.06Å; W185-R213 HydrophobicContact CH2-CG 3.63Å; W185-R213 HydrophobicContact CZ3-CB 3.54Å; W185-R213 HydrophobicContact CZ3-CG 3.37Å; W185-R213 PolarHBondContact O-NH1 2.63Å; W185-L216 HydrophobicContact CH2-CB 4.35Å; W185-L216 HydrophobicContact CH2-CD2 3.89Å; W185-L216 HydrophobicContact CZ2-CD2 4.07Å; W185-L216 HydrophobicContact CZ3-CD2 4.48Å; W185-Y217 AromaticContact CH2-CD2 3.9Å; W185-Y217 HydrophobicContact CH2-CD2 3.9Å; W185-Y217 AromaticContact CH2-CE2 3.5Å; W185-Y217 HydrophobicContact CH2-CE2 3.5Å; W185-Y217 VanDerWaalsContact CH2-CE2 3.5Å; W185-Y217 HydrophobicContact CZ2-CD2 4.24Å; W185-Y217 HydrophobicContact CZ2-CE1 4.24Å; W185-Y217 AromaticContact CZ2-CE2 3.59Å; W185-Y217 HydrophobicContact CZ2-CE2 3.59Å; W185-Y217 AromaticContact CZ2-CZ 3.57Å; W185-Y217 HydrophobicContact CZ3-CE2 4.4Å; W185-F220 HydrophobicContact CZ2-CE2 4.24Å
186D93.3Very high92.4Very high95 Ų9557.4 Ų57.451%0.50831%0.308SS..Hα-helixtrans-76.7-28.3-174.1-163.466.9000112.1S182 P183 L188 V234 I238S182-D186 WeakPolarHBondContact O-CB 3.4Å; S182-D186 PolarHBondContact O-N 3.05Å; S182-D186 VanDerWaalsContact O-N 3.1Å; P183-D186 PolarHBondContact O-N 3.46Å; D186-L188 PolarHBondContact O-N 3.48Å; D186-V234 HydrophobicContact CB-CG1 4.47Å; D186-I238 HydrophobicContact CB-CD1 3.54Å
187S89.3Confident92.3Very high80 Ų8060.8 Ų60.856%0.55932%0.319SS*.Hα-helixtrans-63.9-26176.670.50000114.3P183 E184P183-S187 WeakPolarHBondContact O-CB 3.26Å; P183-S187 PolarHBondContact O-N 3.26Å; P183-S187 PolarHBondContact O-OG 3.18Å; E184-S187 PolarHBondContact O-OG 2.95Å
188L89.8Confident92.2Very high19 Ų1959.5 Ų59.510%0.09932%0.315CS..SBendtrans-99.5139.5-175-65.6179.7000112.2I151 D186 E192 R213I151-L188 HydrophobicContact CB-CD1 3.62Å; I151-L188 HydrophobicContact CD1-CD1 3.78Å; I151-L188 HydrophobicContact CD1-CG 4.33Å; I151-L188 HydrophobicContact CG1-CD1 4.29Å; I151-L188 HydrophobicContact CG2-CD1 3.69Å; D186-L188 PolarHBondContact O-N 3.48Å; L188-E192 HydrophobicContact CD2-CB 4.41Å; L188-E192 HydrophobicContact CD2-CG 3.98Å; L188-R213 PolarHBondContact O-NH2 3.45Å
189R84.8Confident92.2Very high185 Ų18557.7 Ų57.770%0.69831%0.308SS*.  trans-68.8158.5165.2-61.4178.8-176.2-167.42.4110.7S191 E192 R213R189-S191 PolarHBondContact O-N 3.34Å; R189-S191 VanDerWaalsContact O-N 3.1Å; R189-E192 HydrophobicContact CB-CB 4.05Å; R189-E192 PolarHBondContact N-OE2 2.84Å; R189-E192 PolarHBondContact O-N 3.46Å; R189-R213 VanDerWaalsContact C-NH2 3.3Å; R189-R213 PolarHBondContact O-NH2 2.82Å
190P80.3Confident92.2Very high88 Ų8857.6 Ų57.657%0.57131%0.308SS*.THydrogen-bonded Turntrans-57.6-28.9-176.7-27.435000115.3Y217P190-Y217 HydrophobicContact CB-CD2 4.39Å; P190-Y217 HydrophobicContact CB-CE1 4.2Å; P190-Y217 HydrophobicContact CB-CE2 4.04Å; P190-Y217 HydrophobicContact CG-CE1 3.86Å; P190-Y217 HydrophobicContact CG-CE2 4.41Å
191S80.1Confident92.2Very high119 Ų11959.6 Ų59.683%0.83232%0.317SS*.THydrogen-bonded Turntrans-97.5-0.7179.4600000114.1R189R189-S191 PolarHBondContact O-N 3.34Å; R189-S191 VanDerWaalsContact O-N 3.1Å
192E89.2Confident92.3Very high92 Ų9259.6 Ų59.643%0.4332%0.317SS..  trans-94.7139.2-174.5-167.2173.5-175.300109.9L188 R189L188-E192 HydrophobicContact CD2-CB 4.41Å; L188-E192 HydrophobicContact CD2-CG 3.98Å; R189-E192 HydrophobicContact CB-CB 4.05Å; R189-E192 PolarHBondContact N-OE2 2.84Å; R189-E192 PolarHBondContact O-N 3.46Å
193E89.1Confident92.3Very high186 Ų18661.4 Ų61.487%0.86933%0.327SS*.  trans-98.5145.4172.6-64.3-175.4172.200108.9
194G91.4Very high92.4Very high19 Ų1962.1 Ų62.120%0.19633%0.328CS..  trans-150167.8178.200000111.4A150 I151A150-G194 WeakPolarHBondContact CA-O 3.21Å; I151-G194 PolarHBondContact N-O 3.29Å
195I94.9Very high92.6Very high81 Ų8166.6 Ų66.642%0.41535%0.349SS..BIsolated β-bridgetrans-120.4146.4178.362.1-174.2000109.4T149 Q197T149-I195 CarbonylContact O-C 3.57Å; T149-I195 VanDerWaalsContact O-CA 3.3Å; T149-I195 WeakPolarHBondContact O-CA 3.24Å; I195-Q197 PolarHBondContact O-N 2.81Å; I195-Q197 PolarHBondContact O-NE2 2.85Å
196F95.8Very high92.8Very high1 Ų166 Ų660%0.00435%0.346CS..  trans-57.7132.1175.3-85.6-102.1000110.2F143 A144 E146 G147 T149 I151 D181 E184 V198 L200F143-F196 HydrophobicContact CE1-CE1 4.31Å; F143-F196 HydrophobicContact CE1-CZ 4.06Å; A144-F196 HydrophobicContact CB-CB 4.24Å; A144-F196 HydrophobicContact CB-CD1 3.53Å; A144-F196 HydrophobicContact CB-CD2 3.97Å; A144-F196 HydrophobicContact CB-CE1 3.77Å; A144-F196 HydrophobicContact CB-CE2 4.18Å; A144-F196 HydrophobicContact CB-CG 3.64Å; A144-F196 HydrophobicContact CB-CZ 4.09Å; E146-F196 WeakPolarHBondContact CA-O 3.37Å; G147-F196 PolarHBondContact N-O 2.77Å; T149-F196 HydrophobicContact CG2-CD2 3.81Å; T149-F196 HydrophobicContact CG2-CE2 4.04Å; T149-F196 WeakPolarHBondContact O-CD2 3.3Å; T149-F196 PolarHBondContact O-N 3.44Å; I151-F196 HydrophobicContact CB-CE2 4.46Å; I151-F196 HydrophobicContact CG1-CD2 3.74Å; I151-F196 HydrophobicContact CG1-CE2 3.9Å; I151-F196 HydrophobicContact CG1-CG 4.44Å; D181-F196 HydrophobicContact CB-CE1 3.87Å; D181-F196 HydrophobicContact CB-CZ 3.62Å; E184-F196 HydrophobicContact CB-CE1 4.42Å; E184-F196 HydrophobicContact CG-CD1 3.75Å; E184-F196 HydrophobicContact CG-CE1 3.83Å; E184-F196 HydrophobicContact CG-CG 4.25Å; E184-F196 HydrophobicContact CG-CZ 4.4Å; F196-V198 VanDerWaalsContact C-N 3.34Å; F196-V198 HydrophobicContact CD1-CG2 4.43Å; F196-L200 HydrophobicContact CD1-CD1 4.29Å; F196-L200 HydrophobicContact CE1-CD1 4.47Å
197Q95.1Very high93Very high120 Ų12065 Ų6556%0.56134%0.335SS*.SBendtrans-93.71.4176.3-58.9-58-5000112.3E146 I195E146-Q197 WeakPolarHBondContact CG-O 3.43Å; I195-Q197 PolarHBondContact O-N 2.81Å; I195-Q197 PolarHBondContact O-NE2 2.85Å
198V96.1Very high93.4Very high18 Ų1862.5 Ų62.511%0.10931%0.314CS..SBendtrans-138.5155-176.4-610000109.5E146 V164 T165 V166 E184 F196 L200E146-V198 PolarHBondContact N-O 3.33Å; V164-V198 HydrophobicContact CG1-CB 4.01Å; V164-V198 HydrophobicContact CG1-CG2 4.15Å; T165-V198 WeakPolarHBondContact O-CA 3.26Å; T165-V198 WeakPolarHBondContact O-CB 3.46Å; V166-V198 HydrophobicContact CG2-CB 4.35Å; V166-V198 HydrophobicContact CG2-CG1 3.54Å; E184-V198 WeakPolarHBondContact OE1-CG2 3.43Å; F196-V198 VanDerWaalsContact C-N 3.34Å; F196-V198 HydrophobicContact CD1-CG2 4.43Å; V198-L200 HydrophobicContact CB-CD1 4.31Å; V198-L200 HydrophobicContact CG2-CD1 3.4Å
199T97.8Very high93.7Very high18 Ų1861.6 Ų61.611%0.1131%0.309CS..EExtended strand (participates in β ladder)trans-101.1127.3174-62.80000109.7F142 A144 E146 V164 T165F142-T199 HydrophobicContact CD1-CG2 3.57Å; F142-T199 HydrophobicContact CE1-CG2 3.62Å; A144-T199 WeakPolarHBondContact O-CA 3.49Å; E146-T199 VanDerWaalsContact CB-OG1 3.28Å; E146-T199 WeakPolarHBondContact CB-OG1 3.46Å; E146-T199 PolarHBondContact N-OG1 2.91Å; V164-T199 WeakPolarHBondContact CA-O 3.42Å; T165-T199 PolarHBondContact N-O 3.31Å; T165-T199 PolarHBondContact O-N 3.2Å; T165-T199 WeakPolarHBondContact OG1-CB 3.21Å
200L98.2Very high94.3Very high1 Ų153.4 Ų53.41%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-113.5122.7177.7-78.872.6000108.7F142 F143 A144 I162 V164 I174 L180 F196 V198F142-L200 CarbonylContact C-O 3.45Å; F142-L200 WeakPolarHBondContact CA-O 3.49Å; F143-L200 HydrophobicContact CB-CB 4.02Å; F143-L200 HydrophobicContact CD1-CB 4.13Å; F143-L200 HydrophobicContact CD1-CD2 3.79Å; F143-L200 HydrophobicContact CE1-CD2 4.28Å; F143-L200 PolarHBondContact N-O 3.29Å; A144-L200 HydrophobicContact CB-CB 4.45Å; A144-L200 HydrophobicContact CB-CD1 4.47Å; A144-L200 PolarHBondContact N-O 3.33Å; A144-L200 PolarHBondContact O-N 3.02Å; I162-L200 HydrophobicContact CG2-CB 3.84Å; I162-L200 HydrophobicContact CG2-CD2 4.12Å; I162-L200 HydrophobicContact CG2-CG 3.99Å; V164-L200 HydrophobicContact CG1-CD1 4.27Å; V164-L200 HydrophobicContact CG2-CG 4.28Å; I174-L200 HydrophobicContact CD1-CD2 4.08Å; L180-L200 HydrophobicContact CB-CD2 4.13Å; L180-L200 WeakPolarHBondContact O-CD2 3.32Å; F196-L200 HydrophobicContact CD1-CD1 4.29Å; F196-L200 HydrophobicContact CE1-CD1 4.47Å; V198-L200 HydrophobicContact CB-CD1 4.31Å; V198-L200 HydrophobicContact CG2-CD1 3.4Å
201H97.4Very high95.1Very high44 Ų4449.3 Ų49.320%0.20425%0.254CS..EExtended strand (participates in β ladder)trans-131.4149.8172.867.3-88.3000112.2Q141 F142 I162 H163 D203Q141-H201 WeakPolarHBondContact O-CA 3.37Å; F142-H201 HydrophobicContact CD1-CB 3.71Å; F142-H201 HydrophobicContact CE1-CB 3.88Å; F142-H201 HydrophobicContact CG-CB 4.46Å; I162-H201 WeakPolarHBondContact CA-O 3.5Å; H163-H201 AromaticContact CE1-CE1 3.78Å; H163-H201 AromaticContact CG-CE1 3.49Å; H163-H201 VanDerWaalsContact CG-CE1 3.49Å; H163-H201 AromaticContact CG-NE2 3.7Å; H163-H201 PolarHBondContact N-O 3.36Å; H163-H201 AromaticContact ND1-CE1 3.09Å; H163-H201 PolarHBondContact ND1-CE1 3.45Å; H163-H201 AromaticContact ND1-ND1 3.85Å; H163-H201 AromaticContact ND1-NE2 3.76Å; H163-H201 PolarHBondContact O-N 3.34Å; H163-H201 VanDerWaalsContact O-N 3.08Å; H163-H201 PolarHBondContact O-ND1 3.38Å; H201-D203 PolarHBondContact O-N 3.01Å
202A98.2Very high95.8Very high1 Ų151.2 Ų51.21%0.00824%0.243CC..EExtended strand (participates in β ladder)trans-72.1120.5175.900000110.7L137 E138 G140 Q141 I162 D204L137-A202 HydrophobicContact CD2-CB 3.7Å; L137-A202 HydrophobicContact CG-CB 3.87Å; E138-A202 VanDerWaalsContact O-CB 3.24Å; E138-A202 WeakPolarHBondContact O-CB 3.22Å; G140-A202 WeakPolarHBondContact CA-O 3.31Å; G140-A202 PolarHBondContact N-O 2.99Å; Q141-A202 PolarHBondContact O-N 2.87Å; I162-A202 HydrophobicContact CD1-CB 4.18Å; A202-D204 WeakPolarHBondContact CB-O 3.47Å
203D96.1Very high96Very high39 Ų3947.6 Ų47.621%0.20923%0.225CC..SBendtrans-84.4-29.3171.1-170.130.5000111.2K139 R161 H163 H201K139-D203 WeakPolarHBondContact CD-O 3.39Å; K139-D203 WeakPolarHBondContact CE-O 3.28Å; K139-D203 WeakPolarHBondContact CG-O 3.32Å; K139-D203 PolarHBondContact NZ-O 3.09Å; R161-D203 IonicContact CZ-OD2 2.76Å; R161-D203 IonicContact NE-OD2 3.8Å; R161-D203 PolarHBondContact NE-OD2 2.79Å; R161-D203 IonicContact NH2-OD2 3.23Å; R161-D203 PolarHBondContact NH2-OD2 3.47Å; R161-D203 PolarHBondContact O-N 3.43Å; H163-D203 HydrophobicContact CB-CB 4.45Å; H201-D203 PolarHBondContact O-N 3.01Å
204D96.2Very high96.2Very high64 Ų6447.7 Ų47.734%0.34222%0.223SC..SBendtrans-128.1169.7171.8-63.4-49.5000110.3K139 A202 C206K139-D204 IonicContact NZ-OD1 3.56Å; A202-D204 WeakPolarHBondContact CB-O 3.47Å; D204-C206 PolarHBondContact O-N 3.43Å; D204-C206 VanDerWaalsContact O-N 3.13Å; D204-C206 PolarHBondContact O-SG 3.31Å
205Q97.6Very high96.3Very high115 Ų11550.6 Ų50.654%0.53723%0.23SC..  trans-60.3120.6171-168.7-177.531.600109.5T136 E138T136-Q205 HydrophobicContact CG2-CG 4.08Å; E138-Q205 PolarHBondContact OE1-NE2 3.22Å; E138-Q205 PolarHBondContact OE2-NE2 3.48Å
206C97.9Very high96.3Very high0 Ų046.7 Ų46.70%021%0.21CC..EExtended strand (participates in β ladder)trans-112.4147.6-173.2-71.30000111.2T136 L137 L157 S159 R161 I162 D204T136-C206 CarbonylContact C-O 3.54Å; T136-C206 WeakPolarHBondContact CA-O 3.31Å; L137-C206 HydrophobicContact CB-CB 4.13Å; L137-C206 PolarHBondContact N-O 3.31Å; L137-C206 PolarHBondContact O-N 3.36Å; L157-C206 HydrophobicContact CD1-CB 3.85Å; S159-C206 VanDerWaalsContact O-CA 3.27Å; S159-C206 WeakPolarHBondContact O-CA 3.46Å; R161-C206 PolarHBondContact N-SG 3.13Å; R161-C206 PolarHBondContact O-SG 2.88Å; I162-C206 HydrophobicContact CD1-CB 4.11Å; I162-C206 VanDerWaalsContact CD1-SG 3.57Å; D204-C206 PolarHBondContact O-N 3.43Å; D204-C206 VanDerWaalsContact O-N 3.13Å; D204-C206 PolarHBondContact O-SG 3.31Å
207R97.7Very high96.2Very high75 Ų7549.7 Ų49.728%0.28322%0.222SC..EExtended strand (participates in β ladder)trans-122.7140.4168-59.4-172.6-56.5152.110.2109.4D104 V134 H135 L158 S159D104-R207 IonicContact OD1-CZ 3.52Å; D104-R207 IonicContact OD1-NH1 3.94Å; D104-R207 PolarHBondContact OD1-NH1 3.34Å; D104-R207 IonicContact OD1-NH2 2.66Å; D104-R207 PolarHBondContact OD1-NH2 2.7Å; D104-R207 IonicContact OD2-CZ 2.9Å; D104-R207 IonicContact OD2-NH1 3.46Å; D104-R207 PolarHBondContact OD2-NH1 2.89Å; D104-R207 IonicContact OD2-NH2 2.58Å; V134-R207 HydrophobicContact CG1-CB 4.08Å; H135-R207 CarbonylContact O-C 3.56Å; H135-R207 VanDerWaalsContact O-CA 3.25Å; H135-R207 WeakPolarHBondContact O-CA 3.38Å; L158-R207 HydrophobicContact CB-CB 4.38Å; L158-R207 WeakPolarHBondContact CB-O 3.26Å; L158-R207 PolarHBondContact N-O 3.11Å; S159-R207 PolarHBondContact N-O 2.73Å; S159-R207 PolarHBondContact O-N 3.46Å; S159-R207 VanDerWaalsContact O-N 3.11Å; S159-R207 WeakPolarHBondContact OG-CB 3.39Å; S159-R207 PolarHBondContact OG-NE 3.02Å
208Y97.6Very high96.2Very high27 Ų2749.9 Ų49.911%0.10623%0.226CC..EExtended strand (participates in β ladder)trans-149.1157.1-177.271.8-86.5000112.1H135 L137 F143 V156 L180 A210H135-Y208 HydrophobicContact CB-CD1 3.85Å; H135-Y208 HydrophobicContact CB-CD2 4.17Å; H135-Y208 HydrophobicContact CB-CE1 3.4Å; H135-Y208 VanDerWaalsContact CB-CE1 3.4Å; H135-Y208 HydrophobicContact CB-CE2 3.74Å; H135-Y208 HydrophobicContact CB-CG 4.22Å; H135-Y208 AromaticContact CD2-CE2 3.81Å; H135-Y208 AromaticContact CG-CE2 3.99Å; H135-Y208 AromaticContact CG-CZ 3.88Å; H135-Y208 PolarHBondContact N-O 3.33Å; H135-Y208 PolarHBondContact O-N 2.82Å; L137-Y208 HydrophobicContact CB-CD1 4.45Å; L137-Y208 HydrophobicContact CB-CE1 4.21Å; F143-Y208 HydrophobicContact CD2-CE1 4.28Å; F143-Y208 HydrophobicContact CD2-CE2 4.28Å; F143-Y208 HydrophobicContact CE2-CD2 4.09Å; F143-Y208 HydrophobicContact CE2-CE1 4.47Å; F143-Y208 AromaticContact CE2-CE2 3.67Å; F143-Y208 HydrophobicContact CE2-CE2 3.67Å; F143-Y208 AromaticContact CE2-CZ 3.87Å; V156-Y208 VanDerWaalsContact O-CA 3.22Å; V156-Y208 WeakPolarHBondContact O-CA 3.43Å; V156-Y208 VanDerWaalsContact O-CB 3.26Å; V156-Y208 WeakPolarHBondContact O-CB 3.46Å; L180-Y208 HydrophobicContact CD1-CD2 4.41Å; L180-Y208 HydrophobicContact CD1-CG 4.22Å; Y208-A210 HydrophobicContact CD2-CB 4.28Å; Y208-A210 HydrophobicContact CE2-CB 4.01Å
209I97.3Very high96.2Very high0 Ų049.8 Ų49.80%023%0.225CC..EExtended strand (participates in β ladder)trans-107.6142.5170.4-68.9158.4000108.1F105 L108 V134 S155 V156 L158 W211F105-I209 HydrophobicContact CD1-CD1 3.5Å; F105-I209 HydrophobicContact CD1-CG1 4.48Å; F105-I209 HydrophobicContact CE1-CD1 3.29Å; F105-I209 HydrophobicContact CE1-CG1 3.81Å; F105-I209 HydrophobicContact CE1-CG2 4.19Å; F105-I209 HydrophobicContact CG-CD1 4.37Å; F105-I209 HydrophobicContact CZ-CD1 4.01Å; F105-I209 HydrophobicContact CZ-CG1 4.14Å; L108-I209 HydrophobicContact CD2-CD1 3.64Å; V134-I209 HydrophobicContact CG2-CG1 4.15Å; S155-I209 CarbonylContact C-O 3.59Å; S155-I209 WeakPolarHBondContact CA-O 3.44Å; S155-I209 WeakPolarHBondContact CB-O 3.39Å; V156-I209 PolarHBondContact N-O 3.39Å; V156-I209 PolarHBondContact O-N 2.88Å; L158-I209 HydrophobicContact CD1-CD1 3.76Å; L158-I209 HydrophobicContact CD1-CG1 3.84Å; L158-I209 HydrophobicContact CD2-CD1 4Å; L158-I209 HydrophobicContact CG-CD1 4.2Å; L158-I209 HydrophobicContact CG-CG1 4.4Å; I209-W211 HydrophobicContact CB-CH2 4.28Å; I209-W211 HydrophobicContact CG2-CD2 4.34Å; I209-W211 HydrophobicContact CG2-CE3 4.38Å; I209-W211 HydrophobicContact CG2-CH2 3.69Å; I209-W211 HydrophobicContact CG2-CZ2 3.65Å; I209-W211 HydrophobicContact CG2-CZ3 4.07Å
210A96.9Very high96.1Very high13 Ų1350.3 Ų50.311%0.10723%0.226CC..EExtended strand (participates in β ladder)trans-129.3137.8175.400000112S130 K153 L154 Y208S130-A210 WeakPolarHBondContact CB-O 3.28Å; K153-A210 HydrophobicContact CD-CB 4.03Å; L154-A210 CarbonylContact O-C 3.58Å; L154-A210 WeakPolarHBondContact O-CA 3.43Å; Y208-A210 HydrophobicContact CD2-CB 4.28Å; Y208-A210 HydrophobicContact CE2-CB 4.01Å
211W97Very high96Very high2 Ų254.7 Ų54.71%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-109119.1171.7-65.2-85.7000109.2L108 I126 S130 K153 L154 V156 I209 R213 L216L108-W211 HydrophobicContact CD2-CH2 4.06Å; L108-W211 HydrophobicContact CD2-CZ2 4.32Å; I126-W211 HydrophobicContact CG2-CZ2 3.78Å; I126-W211 PolarHBondContact O-NE1 2.83Å; S130-W211 VanDerWaalsContact CB-CD1 3.5Å; K153-W211 CarbonylContact C-O 3.5Å; K153-W211 VanDerWaalsContact CA-O 3.23Å; K153-W211 WeakPolarHBondContact CA-O 3.31Å; K153-W211 WeakPolarHBondContact CB-O 3.44Å; L154-W211 PolarHBondContact N-O 3.36Å; L154-W211 PolarHBondContact O-N 2.7Å; V156-W211 HydrophobicContact CB-CZ3 4.2Å; V156-W211 HydrophobicContact CG2-CH2 4.31Å; V156-W211 HydrophobicContact CG2-CZ3 3.81Å; I209-W211 HydrophobicContact CB-CH2 4.28Å; I209-W211 HydrophobicContact CG2-CD2 4.34Å; I209-W211 HydrophobicContact CG2-CE3 4.38Å; I209-W211 HydrophobicContact CG2-CH2 3.69Å; I209-W211 HydrophobicContact CG2-CZ2 3.65Å; I209-W211 HydrophobicContact CG2-CZ3 4.07Å; W211-R213 PolarHBondContact O-N 3.42Å; W211-L216 HydrophobicContact CB-CB 4.17Å; W211-L216 HydrophobicContact CB-CD1 4.09Å; W211-L216 HydrophobicContact CB-CD2 3.93Å; W211-L216 HydrophobicContact CB-CG 4.28Å; W211-L216 HydrophobicContact CG-CD1 4.05Å; W211-L216 HydrophobicContact CG-CD2 4.48Å
212R94.9Very high96Very high160 Ų16060 Ų6060%0.60429%0.285SS*.EExtended strand (participates in β ladder)trans-60.9132.2172.8-64.4-173.1-174.2-167.50.8109.7K214 K215 L216R212-K214 VanDerWaalsContact C-N 3.35Å; R212-K214 PolarHBondContact O-N 3.29Å; R212-K215 HydrophobicContact CB-CB 4.39Å; R212-K215 HydrophobicContact CB-CG 4.43Å; R212-K215 PolarHBondContact O-N 2.99Å; R212-L216 PolarHBondContact O-N 2.65Å
213R93.2Very high95.9Very high15 Ų1561.8 Ų61.86%0.05729%0.293CS..Hα-helixtrans-50.2-50.5-175.2-176.5158.2-178.3102.7-5.5113.1D152 W185 L188 R189 W211 K215 L216 Y217D152-R213 WeakPolarHBondContact O-CB 3.35Å; D152-R213 PolarHBondContact O-N 2.85Å; W185-R213 VanDerWaalsContact CD2-NH1 3.3Å; W185-R213 HydrophobicContact CE3-CG 4.31Å; W185-R213 HydrophobicContact CH2-CB 4.06Å; W185-R213 HydrophobicContact CH2-CG 3.63Å; W185-R213 HydrophobicContact CZ3-CB 3.54Å; W185-R213 HydrophobicContact CZ3-CG 3.37Å; W185-R213 PolarHBondContact O-NH1 2.63Å; L188-R213 PolarHBondContact O-NH2 3.45Å; R189-R213 VanDerWaalsContact C-NH2 3.3Å; R189-R213 PolarHBondContact O-NH2 2.82Å; W211-R213 PolarHBondContact O-N 3.42Å; R213-K215 PolarHBondContact O-N 3.36Å; R213-L216 PolarHBondContact O-N 3.4Å; R213-Y217 HydrophobicContact CG-CD2 3.78Å; R213-Y217 HydrophobicContact CG-CE2 3.62Å; R213-Y217 PolarHBondContact NH2-OH 3.42Å; R213-Y217 VanDerWaalsContact O-CD2 3.28Å; R213-Y217 WeakPolarHBondContact O-CD2 3.48Å; R213-Y217 PolarHBondContact O-N 3.08Å
214K92.1Very high95.9Very high188 Ų18868.9 Ų68.982%0.81732%0.317SS*.Hα-helixtrans-60.8-43.1179.6-65.2-178.4180176.20112.9R212 L218R212-K214 VanDerWaalsContact C-N 3.35Å; R212-K214 PolarHBondContact O-N 3.29Å; K214-L218 WeakPolarHBondContact O-CB 3.3Å; K214-L218 PolarHBondContact O-N 3.49Å; K214-L218 VanDerWaalsContact O-N 3.15Å
215K94.4Very high95.9Very high80 Ų8070.1 Ų70.135%0.34832%0.317SS..Hα-helixtrans-67.3-41178.4-73.7-172.6175.2177.90111.3D131 R212 R213 L218 L219D131-K215 IonicContact OD1-NZ 2.6Å; D131-K215 PolarHBondContact OD1-NZ 3.3Å; D131-K215 IonicContact OD2-NZ 2.76Å; D131-K215 PolarHBondContact OD2-NZ 3.02Å; R212-K215 HydrophobicContact CB-CB 4.39Å; R212-K215 HydrophobicContact CB-CG 4.43Å; R212-K215 PolarHBondContact O-N 2.99Å; R213-K215 PolarHBondContact O-N 3.36Å; K215-L218 PolarHBondContact O-N 2.99Å; K215-L219 PolarHBondContact O-N 3.34Å
216L95Very high95.8Very high0 Ų064.7 Ų64.70%029%0.292CS..Hα-helixtrans-67.3-42.9-179-167.162.3000111.9L154 W185 W211 R212 R213 L218 L219 F220 F230L154-L216 HydrophobicContact CB-CD2 4.17Å; L154-L216 HydrophobicContact CD2-CD2 3.78Å; W185-L216 HydrophobicContact CH2-CB 4.35Å; W185-L216 HydrophobicContact CH2-CD2 3.89Å; W185-L216 HydrophobicContact CZ2-CD2 4.07Å; W185-L216 HydrophobicContact CZ3-CD2 4.48Å; W211-L216 HydrophobicContact CB-CB 4.17Å; W211-L216 HydrophobicContact CB-CD1 4.09Å; W211-L216 HydrophobicContact CB-CD2 3.93Å; W211-L216 HydrophobicContact CB-CG 4.28Å; W211-L216 HydrophobicContact CG-CD1 4.05Å; W211-L216 HydrophobicContact CG-CD2 4.48Å; R212-L216 PolarHBondContact O-N 2.65Å; R213-L216 PolarHBondContact O-N 3.4Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.47Å; L216-L219 HydrophobicContact CD1-CD2 4.39Å; L216-L219 WeakPolarHBondContact O-CB 3.48Å; L216-L219 PolarHBondContact O-N 3.47Å; L216-L219 VanDerWaalsContact O-N 3.15Å; L216-F220 HydrophobicContact CD1-CE1 3.74Å; L216-F220 HydrophobicContact CD1-CZ 3.83Å; L216-F220 HydrophobicContact CD2-CE1 4.47Å; L216-F220 HydrophobicContact CD2-CE2 4.19Å; L216-F220 HydrophobicContact CD2-CZ 3.72Å; L216-F220 HydrophobicContact CG-CE1 3.8Å; L216-F220 HydrophobicContact CG-CE2 3.9Å; L216-F220 HydrophobicContact CG-CZ 3.42Å; L216-F220 VanDerWaalsContact CG-CZ 3.42Å; L216-F220 WeakPolarHBondContact O-CD1 2.98Å; L216-F220 VanDerWaalsContact O-CG 3.29Å; L216-F220 WeakPolarHBondContact O-CG 3.46Å; L216-F220 PolarHBondContact O-N 2.93Å; L216-F230 HydrophobicContact CD1-CE1 4.13Å; L216-F230 HydrophobicContact CD1-CE2 4.42Å; L216-F230 HydrophobicContact CD1-CZ 4.03Å; L216-F230 HydrophobicContact CD2-CD1 4.22Å; L216-F230 HydrophobicContact CD2-CE1 4.07Å
217Y94Very high95.8Very high63 Ų6366 Ų6625%0.24730%0.302CS..Hα-helixtrans-64.2-35.8173.5-82.3-64.7000113.1W185 P190 R213 L219 F220 A221W185-Y217 AromaticContact CH2-CD2 3.9Å; W185-Y217 HydrophobicContact CH2-CD2 3.9Å; W185-Y217 AromaticContact CH2-CE2 3.5Å; W185-Y217 HydrophobicContact CH2-CE2 3.5Å; W185-Y217 VanDerWaalsContact CH2-CE2 3.5Å; W185-Y217 HydrophobicContact CZ2-CD2 4.24Å; W185-Y217 HydrophobicContact CZ2-CE1 4.24Å; W185-Y217 AromaticContact CZ2-CE2 3.59Å; W185-Y217 HydrophobicContact CZ2-CE2 3.59Å; W185-Y217 AromaticContact CZ2-CZ 3.57Å; W185-Y217 HydrophobicContact CZ3-CE2 4.4Å; P190-Y217 HydrophobicContact CB-CD2 4.39Å; P190-Y217 HydrophobicContact CB-CE1 4.2Å; P190-Y217 HydrophobicContact CB-CE2 4.04Å; P190-Y217 HydrophobicContact CG-CE1 3.86Å; P190-Y217 HydrophobicContact CG-CE2 4.41Å; R213-Y217 HydrophobicContact CG-CD2 3.78Å; R213-Y217 HydrophobicContact CG-CE2 3.62Å; R213-Y217 PolarHBondContact NH2-OH 3.42Å; R213-Y217 VanDerWaalsContact O-CD2 3.28Å; R213-Y217 WeakPolarHBondContact O-CD2 3.48Å; R213-Y217 PolarHBondContact O-N 3.08Å; Y217-L219 VanDerWaalsContact C-N 3.31Å; Y217-L219 PolarHBondContact O-N 2.95Å; Y217-F220 AromaticContact CD1-CD2 3.92Å; Y217-F220 HydrophobicContact CD1-CD2 3.92Å; Y217-F220 HydrophobicContact CE1-CD2 4.29Å; Y217-F220 WeakPolarHBondContact O-CB 3.47Å; Y217-F220 PolarHBondContact O-N 3.3Å; Y217-A221 PolarHBondContact O-N 3.42Å
218L95.1Very high95.8Very high124 Ų12469.7 Ų69.765%0.64932%0.316SS*.Hα-helixtrans-63.8-38.1173.4-173.6136.8000111.5K214 K215 L216 A221 K222K214-L218 WeakPolarHBondContact O-CB 3.3Å; K214-L218 PolarHBondContact O-N 3.49Å; K214-L218 VanDerWaalsContact O-N 3.15Å; K215-L218 PolarHBondContact O-N 2.99Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.47Å; L218-A221 PolarHBondContact O-N 3.35Å; L218-K222 PolarHBondContact O-N 3.37Å
219L96.1Very high95.7Very high17 Ų1769 Ų699%0.08931%0.314CS..Hα-helixtrans-63.1-43172-177.168.9000111.6K125 I126 K215 L216 Y217 K222 H223 I226K125-L219 HydrophobicContact CB-CD1 4.14Å; I126-L219 HydrophobicContact CG1-CD2 4.37Å; K215-L219 PolarHBondContact O-N 3.34Å; L216-L219 HydrophobicContact CD1-CD2 4.39Å; L216-L219 WeakPolarHBondContact O-CB 3.48Å; L216-L219 PolarHBondContact O-N 3.47Å; L216-L219 VanDerWaalsContact O-N 3.15Å; Y217-L219 VanDerWaalsContact C-N 3.31Å; Y217-L219 PolarHBondContact O-N 2.95Å; L219-K222 PolarHBondContact O-N 3.01Å; L219-H223 PolarHBondContact O-N 3.15Å; L219-I226 HydrophobicContact CD1-CD1 4.19Å; L219-I226 HydrophobicContact CD2-CD1 4.24Å; L219-I226 HydrophobicContact CD2-CG2 3.95Å; L219-I226 HydrophobicContact CG-CD1 4.25Å; L219-I226 HydrophobicContact CG-CG2 4.37Å
220F96.4Very high95.7Very high29 Ų2969.1 Ų69.113%0.12732%0.315CS..Hα-helixtrans-63.4-41.3178.3-64.7-13.7000112.6W185 L216 Y217 K222 H223 I226 A227 F230W185-F220 HydrophobicContact CZ2-CE2 4.24Å; L216-F220 HydrophobicContact CD1-CE1 3.74Å; L216-F220 HydrophobicContact CD1-CZ 3.83Å; L216-F220 HydrophobicContact CD2-CE1 4.47Å; L216-F220 HydrophobicContact CD2-CE2 4.19Å; L216-F220 HydrophobicContact CD2-CZ 3.72Å; L216-F220 HydrophobicContact CG-CE1 3.8Å; L216-F220 HydrophobicContact CG-CE2 3.9Å; L216-F220 HydrophobicContact CG-CZ 3.42Å; L216-F220 VanDerWaalsContact CG-CZ 3.42Å; L216-F220 WeakPolarHBondContact O-CD1 2.98Å; L216-F220 VanDerWaalsContact O-CG 3.29Å; L216-F220 WeakPolarHBondContact O-CG 3.46Å; L216-F220 PolarHBondContact O-N 2.93Å; Y217-F220 AromaticContact CD1-CD2 3.92Å; Y217-F220 HydrophobicContact CD1-CD2 3.92Å; Y217-F220 HydrophobicContact CE1-CD2 4.29Å; Y217-F220 WeakPolarHBondContact O-CB 3.47Å; Y217-F220 PolarHBondContact O-N 3.3Å; F220-K222 VanDerWaalsContact C-N 3.27Å; F220-K222 PolarHBondContact O-N 3.35Å; F220-H223 CarbonylContact O-C 3.39Å; F220-H223 PolarHBondContact O-N 3.32Å; F220-I226 HydrophobicContact CD1-CG2 4.23Å; F220-I226 HydrophobicContact CE1-CG2 4.12Å; F220-A227 HydrophobicContact CB-CB 3.71Å; F220-A227 HydrophobicContact CD1-CB 4.02Å; F220-A227 HydrophobicContact CG-CB 3.85Å; F220-F230 HydrophobicContact CE1-CB 3.69Å; F220-F230 HydrophobicContact CE1-CD1 4.25Å; F220-F230 AromaticContact CE1-CD2 3.64Å; F220-F230 HydrophobicContact CE1-CD2 3.64Å; F220-F230 HydrophobicContact CE1-CE2 4.31Å; F220-F230 AromaticContact CE1-CG 3.59Å; F220-F230 HydrophobicContact CE1-CG 3.59Å; F220-F230 HydrophobicContact CE2-CB 4.36Å; F220-F230 HydrophobicContact CZ-CB 3.4Å; F220-F230 AromaticContact CZ-CD1 3.81Å; F220-F230 HydrophobicContact CZ-CD1 3.81Å; F220-F230 HydrophobicContact CZ-CD2 4.03Å; F220-F230 AromaticContact CZ-CG 3.46Å; F220-F230 HydrophobicContact CZ-CG 3.46Å; F220-F230 VanDerWaalsContact CZ-CG 3.46Å
221A95.8Very high95.7Very high92 Ų9270.3 Ų70.376%0.7632%0.324SS*.Hα-helixtrans-60.7-37.6175.100000111.8Y217 L218Y217-A221 PolarHBondContact O-N 3.42Å; L218-A221 PolarHBondContact O-N 3.35Å
222K96.6Very high95.6Very high156 Ų15675 Ų7568%0.67835%0.349SS*.Hα-helixtrans-77.5-31.9177.9-167.6177.1-179.71740113.3L218 L219 F220L218-K222 PolarHBondContact O-N 3.37Å; L219-K222 PolarHBondContact O-N 3.01Å; F220-K222 VanDerWaalsContact C-N 3.27Å; F220-K222 PolarHBondContact O-N 3.35Å
223H96.1Very high95.7Very high38 Ų3868.1 Ų68.118%0.17632%0.324CS..  trans-136.189.2-171.1-65.6-49.6000112.3K125 L219 F220 Y225 I226 A227K125-H223 PolarHBondContact NZ-CE1 3.22Å; K125-H223 PolarHBondContact NZ-NE2 3.28Å; L219-H223 PolarHBondContact O-N 3.15Å; F220-H223 CarbonylContact O-C 3.39Å; F220-H223 PolarHBondContact O-N 3.32Å; H223-Y225 PolarHBondContact O-N 3.29Å; H223-Y225 VanDerWaalsContact O-N 3.16Å; H223-I226 HydrophobicContact CB-CB 4.14Å; H223-I226 HydrophobicContact CB-CD1 3.78Å; H223-I226 HydrophobicContact CB-CG1 3.96Å; H223-I226 PolarHBondContact O-N 3.07Å; H223-A227 PolarHBondContact O-N 3.38Å; H223-A227 VanDerWaalsContact O-N 3.13Å
224R95.8Very high95.9Very high189 Ų18967.6 Ų67.671%0.71332%0.322SS*.Hα-helixtrans-57.5-30.9179.5-167.7171.6-172.8158.70.6114.2A227 R228R224-A227 PolarHBondContact O-N 2.73Å; R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 3.15Å; R224-R228 VanDerWaalsContact O-N 3.1Å
225Y96.3Very high96.1Very high89 Ų8965.2 Ų65.235%0.34931%0.309SS..Hα-helixtrans-61.9-49.7174172.5-105.1000111.5V118 H122 H223 A227 R228 I229V118-Y225 HydrophobicContact CG2-CE1 4.45Å; H122-Y225 HydrophobicContact CB-CE1 4.38Å; H223-Y225 PolarHBondContact O-N 3.29Å; H223-Y225 VanDerWaalsContact O-N 3.16Å; Y225-A227 VanDerWaalsContact C-N 3.3Å; Y225-A227 PolarHBondContact O-N 2.97Å; Y225-R228 PolarHBondContact O-N 3.44Å; Y225-R228 VanDerWaalsContact O-N 3.16Å; Y225-I229 HydrophobicContact CE1-CG1 4.08Å; Y225-I229 HydrophobicContact CE2-CD1 4.13Å; Y225-I229 HydrophobicContact CE2-CG1 4.09Å; Y225-I229 WeakPolarHBondContact O-CG1 3.34Å; Y225-I229 PolarHBondContact O-N 3.05Å
226I96.8Very high96.1Very high2 Ų264.5 Ų64.51%0.0131%0.314CS..Hα-helixtrans-61.4-42.2178.4-62.1178000110K125 I126 L219 F220 H223 R228 I229 F230K125-I226 HydrophobicContact CB-CD1 4.16Å; K125-I226 HydrophobicContact CD-CD1 4.31Å; I126-I226 HydrophobicContact CD1-CG2 4.13Å; I126-I226 HydrophobicContact CG1-CD1 4.26Å; I126-I226 HydrophobicContact CG1-CG2 3.9Å; L219-I226 HydrophobicContact CD1-CD1 4.19Å; L219-I226 HydrophobicContact CD2-CD1 4.24Å; L219-I226 HydrophobicContact CD2-CG2 3.95Å; L219-I226 HydrophobicContact CG-CD1 4.25Å; L219-I226 HydrophobicContact CG-CG2 4.37Å; F220-I226 HydrophobicContact CD1-CG2 4.23Å; F220-I226 HydrophobicContact CE1-CG2 4.12Å; H223-I226 HydrophobicContact CB-CB 4.14Å; H223-I226 HydrophobicContact CB-CD1 3.78Å; H223-I226 HydrophobicContact CB-CG1 3.96Å; H223-I226 PolarHBondContact O-N 3.07Å; I226-R228 VanDerWaalsContact C-N 3.31Å; I226-R228 PolarHBondContact O-N 3.36Å; I226-I229 PolarHBondContact O-N 3.35Å; I226-F230 HydrophobicContact CG2-CD2 3.75Å; I226-F230 HydrophobicContact CG2-CE2 3.94Å; I226-F230 PolarHBondContact O-N 3.49Å
227A96.8Very high96.2Very high26 Ų2665 Ų6522%0.21532%0.316CS..Hα-helixtrans-57.1-42.8176.300000112.5F220 H223 R224 Y225 A231F220-A227 HydrophobicContact CB-CB 3.71Å; F220-A227 HydrophobicContact CD1-CB 4.02Å; F220-A227 HydrophobicContact CG-CB 3.85Å; H223-A227 PolarHBondContact O-N 3.38Å; H223-A227 VanDerWaalsContact O-N 3.13Å; R224-A227 PolarHBondContact O-N 2.73Å; Y225-A227 VanDerWaalsContact C-N 3.3Å; Y225-A227 PolarHBondContact O-N 2.97Å; A227-A231 WeakPolarHBondContact O-CB 3.31Å; A227-A231 PolarHBondContact O-N 3.33Å
228R96.9Very high96.2Very high154 Ų15463.6 Ų63.658%0.58131%0.312SS*.Hα-helixtrans-65.2-43.4176.3-72.9175.8178.7170.40112R224 Y225 I226 A231 L232R224-R228 WeakPolarHBondContact O-CG 3.38Å; R224-R228 PolarHBondContact O-N 3.15Å; R224-R228 VanDerWaalsContact O-N 3.1Å; Y225-R228 PolarHBondContact O-N 3.44Å; Y225-R228 VanDerWaalsContact O-N 3.16Å; I226-R228 VanDerWaalsContact C-N 3.31Å; I226-R228 PolarHBondContact O-N 3.36Å; R228-A231 PolarHBondContact O-N 3.1Å; R228-L232 VanDerWaalsContact O-CG 3.31Å; R228-L232 WeakPolarHBondContact O-CG 3.25Å; R228-L232 PolarHBondContact O-N 3.39Å
229I97.1Very high96.2Very high13 Ų1360.8 Ų60.87%0.06730%0.301CS..Hα-helixtrans-60.1-48.4177-65.7-63.3000110.6F113 L116 V118 Y225 I226 A231 L232 I233F113-I229 HydrophobicContact CD1-CG2 4.13Å; F113-I229 HydrophobicContact CE1-CG2 4.09Å; L116-I229 HydrophobicContact CB-CD1 4.38Å; L116-I229 HydrophobicContact CD1-CG2 4.16Å; V118-I229 HydrophobicContact CG2-CD1 4.09Å; V118-I229 HydrophobicContact CG2-CG1 4.08Å; V118-I229 HydrophobicContact CG2-CG2 4.05Å; Y225-I229 HydrophobicContact CE1-CG1 4.08Å; Y225-I229 HydrophobicContact CE2-CD1 4.13Å; Y225-I229 HydrophobicContact CE2-CG1 4.09Å; Y225-I229 WeakPolarHBondContact O-CG1 3.34Å; Y225-I229 PolarHBondContact O-N 3.05Å; I226-I229 PolarHBondContact O-N 3.35Å; I229-A231 PolarHBondContact O-N 3.3Å; I229-L232 WeakPolarHBondContact O-CB 3.44Å; I229-L232 PolarHBondContact O-N 3.03Å; I229-L232 VanDerWaalsContact O-N 3.11Å; I229-I233 WeakPolarHBondContact O-CG1 3.49Å; I229-I233 PolarHBondContact O-N 3.1Å
230F97Very high96Very high2 Ų264.2 Ų64.21%0.00932%0.319CS..Hα-helixtrans-60.7-43.9176.9-94-95.7000112.3F113 I126 L154 L216 F220 I226 L232 I233 V234F113-F230 HydrophobicContact CE1-CE2 4.39Å; F113-F230 HydrophobicContact CZ-CZ 4.45Å; I126-F230 HydrophobicContact CD1-CE2 3.87Å; I126-F230 HydrophobicContact CG1-CE2 3.99Å; I126-F230 HydrophobicContact CG2-CE2 3.84Å; I126-F230 HydrophobicContact CG2-CZ 3.75Å; L154-F230 HydrophobicContact CD2-CD1 3.87Å; L154-F230 HydrophobicContact CD2-CE1 3.95Å; L216-F230 HydrophobicContact CD1-CE1 4.13Å; L216-F230 HydrophobicContact CD1-CE2 4.42Å; L216-F230 HydrophobicContact CD1-CZ 4.03Å; L216-F230 HydrophobicContact CD2-CD1 4.22Å; L216-F230 HydrophobicContact CD2-CE1 4.07Å; F220-F230 HydrophobicContact CE1-CB 3.69Å; F220-F230 HydrophobicContact CE1-CD1 4.25Å; F220-F230 AromaticContact CE1-CD2 3.64Å; F220-F230 HydrophobicContact CE1-CD2 3.64Å; F220-F230 HydrophobicContact CE1-CE2 4.31Å; F220-F230 AromaticContact CE1-CG 3.59Å; F220-F230 HydrophobicContact CE1-CG 3.59Å; F220-F230 HydrophobicContact CE2-CB 4.36Å; F220-F230 HydrophobicContact CZ-CB 3.4Å; F220-F230 AromaticContact CZ-CD1 3.81Å; F220-F230 HydrophobicContact CZ-CD1 3.81Å; F220-F230 HydrophobicContact CZ-CD2 4.03Å; F220-F230 AromaticContact CZ-CG 3.46Å; F220-F230 HydrophobicContact CZ-CG 3.46Å; F220-F230 VanDerWaalsContact CZ-CG 3.46Å; I226-F230 HydrophobicContact CG2-CD2 3.75Å; I226-F230 HydrophobicContact CG2-CE2 3.94Å; I226-F230 PolarHBondContact O-N 3.49Å; F230-L232 PolarHBondContact O-N 2.86Å; F230-I233 HydrophobicContact CD1-CD1 4.24Å; F230-I233 HydrophobicContact CE1-CD1 4.48Å; F230-I233 HydrophobicContact CG-CD1 4.33Å; F230-I233 WeakPolarHBondContact O-CG1 3.35Å; F230-I233 PolarHBondContact O-N 2.84Å; F230-V234 VanDerWaalsContact O-CB 3.3Å; F230-V234 WeakPolarHBondContact O-CB 3.45Å; F230-V234 VanDerWaalsContact O-CG2 3.26Å; F230-V234 WeakPolarHBondContact O-CG2 3.08Å; F230-V234 PolarHBondContact O-N 2.76Å
231A95.6Very high95.8Very high37 Ų3763.5 Ų63.531%0.30632%0.316SS..Hα-helixtrans-62.4-28.6176.300000113A227 R228 I229 R235A227-A231 WeakPolarHBondContact O-CB 3.31Å; A227-A231 PolarHBondContact O-N 3.33Å; R228-A231 PolarHBondContact O-N 3.1Å; I229-A231 PolarHBondContact O-N 3.3Å; A231-R235 WeakPolarHBondContact O-CB 3.4Å; A231-R235 VanDerWaalsContact O-CG 3.32Å; A231-R235 WeakPolarHBondContact O-CG 3.08Å; A231-R235 PolarHBondContact O-NE 3.41Å
232L96.4Very high95.5Very high100 Ų10061.6 Ų61.652%0.52430%0.295SS..Hα-helixtrans-75.7-51.5175.4-72.9168.2000111.3R228 I229 F230 R235 S236R228-L232 VanDerWaalsContact O-CG 3.31Å; R228-L232 WeakPolarHBondContact O-CG 3.25Å; R228-L232 PolarHBondContact O-N 3.39Å; I229-L232 WeakPolarHBondContact O-CB 3.44Å; I229-L232 PolarHBondContact O-N 3.03Å; I229-L232 VanDerWaalsContact O-N 3.11Å; F230-L232 PolarHBondContact O-N 2.86Å; L232-R235 PolarHBondContact O-N 3.35Å; L232-S236 WeakPolarHBondContact O-CB 3.41Å; L232-S236 PolarHBondContact O-N 2.88Å
233I96.6Very high95Very high16 Ų1659 Ų598%0.08228%0.281CS..Hα-helixtrans-67.4-38.6-176.563.6-174.5000112.4F113 L116 F179 I229 F230 S236 D237F113-I233 HydrophobicContact CE1-CD1 3.92Å; F113-I233 HydrophobicContact CZ-CD1 3.93Å; L116-I233 HydrophobicContact CD1-CG2 3.34Å; F179-I233 HydrophobicContact CE2-CB 4.18Å; F179-I233 HydrophobicContact CE2-CD1 4.14Å; F179-I233 HydrophobicContact CE2-CG1 3.84Å; F179-I233 HydrophobicContact CZ-CD1 3.74Å; F179-I233 HydrophobicContact CZ-CG1 3.82Å; I229-I233 WeakPolarHBondContact O-CG1 3.49Å; I229-I233 PolarHBondContact O-N 3.1Å; F230-I233 HydrophobicContact CD1-CD1 4.24Å; F230-I233 HydrophobicContact CE1-CD1 4.48Å; F230-I233 HydrophobicContact CG-CD1 4.33Å; F230-I233 WeakPolarHBondContact O-CG1 3.35Å; F230-I233 PolarHBondContact O-N 2.84Å; I233-S236 PolarHBondContact O-N 3.09Å; I233-D237 WeakPolarHBondContact O-CB 3.26Å; I233-D237 PolarHBondContact O-N 2.96Å
234V96.9Very high94.4Very high4 Ų459.3 Ų59.32%0.02429%0.288CS..Hα-helixtrans-65.1-47177.71690000110.2L154 F179 D186 F230 S236 D237 I238L154-V234 HydrophobicContact CD1-CG2 4.43Å; L154-V234 HydrophobicContact CD2-CG2 3.95Å; F179-V234 HydrophobicContact CE1-CG2 4.26Å; F179-V234 HydrophobicContact CE2-CG2 4.18Å; F179-V234 HydrophobicContact CZ-CG2 3.97Å; D186-V234 HydrophobicContact CB-CG1 4.47Å; F230-V234 VanDerWaalsContact O-CB 3.3Å; F230-V234 WeakPolarHBondContact O-CB 3.45Å; F230-V234 VanDerWaalsContact O-CG2 3.26Å; F230-V234 WeakPolarHBondContact O-CG2 3.08Å; F230-V234 PolarHBondContact O-N 2.76Å; V234-S236 VanDerWaalsContact C-N 3.35Å; V234-S236 PolarHBondContact O-N 3.34Å; V234-D237 PolarHBondContact O-N 3.24Å; V234-I238 HydrophobicContact CG1-CD1 3.82Å; V234-I238 VanDerWaalsContact O-CG1 3.28Å; V234-I238 WeakPolarHBondContact O-CG1 3.05Å; V234-I238 PolarHBondContact O-N 2.85Å
235R95.8Very high93.7Very high139 Ų13952.1 Ų52.153%0.52526%0.263SS..Hα-helixtrans-67-35.3178.2-74.1-173.8-76.3-172.2-4112.7A231 L232 T239A231-R235 WeakPolarHBondContact O-CB 3.4Å; A231-R235 VanDerWaalsContact O-CG 3.32Å; A231-R235 WeakPolarHBondContact O-CG 3.08Å; A231-R235 PolarHBondContact O-NE 3.41Å; L232-R235 PolarHBondContact O-N 3.35Å; R235-T239 WeakPolarHBondContact O-CB 3.39Å; R235-T239 PolarHBondContact O-N 2.95Å; R235-T239 PolarHBondContact O-OG1 3.48Å
236S95.4Very high92.9Very high65 Ų6548 Ų4846%0.45525%0.248SC..Hα-helixtrans-60.3-48.9172.8-167.40000110.8L232 I233 V234 I238 T239 D240L232-S236 WeakPolarHBondContact O-CB 3.41Å; L232-S236 PolarHBondContact O-N 2.88Å; I233-S236 PolarHBondContact O-N 3.09Å; V234-S236 VanDerWaalsContact C-N 3.35Å; V234-S236 PolarHBondContact O-N 3.34Å; S236-I238 PolarHBondContact O-N 3.38Å; S236-T239 WeakPolarHBondContact O-CB 3.02Å; S236-T239 PolarHBondContact O-N 3.24Å; S236-T239 VanDerWaalsContact O-N 3.15Å; S236-D240 VanDerWaalsContact O-CG 3.32Å; S236-D240 PolarHBondContact O-N 3.41Å
237D96.7Very high91.7Very high11 Ų1152 Ų526%0.05927%0.269CS..Hα-helixtrans-63.6-42.3179.7-180101.3000112.5Q178 F179 S182 I233 V234 T239 D240 K241Q178-D237 WeakPolarHBondContact CA-OD1 3.42Å; Q178-D237 WeakPolarHBondContact CB-OD1 3.31Å; F179-D237 HydrophobicContact CD2-CB 3.78Å; F179-D237 PolarHBondContact N-OD1 3.44Å; S182-D237 PolarHBondContact OG-OD2 2.88Å; I233-D237 WeakPolarHBondContact O-CB 3.26Å; I233-D237 PolarHBondContact O-N 2.96Å; V234-D237 PolarHBondContact O-N 3.24Å; D237-T239 VanDerWaalsContact C-N 3.28Å; D237-T239 PolarHBondContact O-N 2.64Å; D237-D240 PolarHBondContact O-N 2.95Å; D237-K241 WeakPolarHBondContact O-CG 3.48Å; D237-K241 PolarHBondContact O-N 3.48Å; D237-K241 WeakPolarHBondContact OD2-CD 3.48Å; D237-K241 WeakPolarHBondContact OD2-CE 3.38Å; D237-K241 IonicContact OD2-NZ 3.66Å; D237-K241 PolarHBondContact OD2-NZ 2.79Å
238I95.3Very high90.5Very high32 Ų3256.4 Ų56.416%0.16428%0.284CS..Hα-helixtrans-59-44.2173.4-67.7164.7000110.4P183 D186 V234 S236 K241 V242P183-I238 HydrophobicContact CG-CG1 4.46Å; D186-I238 HydrophobicContact CB-CD1 3.54Å; V234-I238 HydrophobicContact CG1-CD1 3.82Å; V234-I238 VanDerWaalsContact O-CG1 3.28Å; V234-I238 WeakPolarHBondContact O-CG1 3.05Å; V234-I238 PolarHBondContact O-N 2.85Å; S236-I238 PolarHBondContact O-N 3.38Å; I238-K241 PolarHBondContact O-N 3.04Å; I238-V242 HydrophobicContact CG2-CG2 4.37Å; I238-V242 VanDerWaalsContact O-CG2 3.32Å; I238-V242 WeakPolarHBondContact O-CG2 3.35Å; I238-V242 PolarHBondContact O-N 3.36Å
239T93.4Very high89.2Confident65 Ų6550.2 Ų50.240%0.39927%0.265SS..Hα-helixtrans-59.2-52.5178.4-59.50000109.7R235 S236 D237 K241 V242 Y243R235-T239 WeakPolarHBondContact O-CB 3.39Å; R235-T239 PolarHBondContact O-N 2.95Å; R235-T239 PolarHBondContact O-OG1 3.48Å; S236-T239 WeakPolarHBondContact O-CB 3.02Å; S236-T239 PolarHBondContact O-N 3.24Å; S236-T239 VanDerWaalsContact O-N 3.15Å; D237-T239 VanDerWaalsContact C-N 3.28Å; D237-T239 PolarHBondContact O-N 2.64Å; T239-K241 VanDerWaalsContact C-N 3.29Å; T239-K241 PolarHBondContact O-N 2.88Å; T239-V242 PolarHBondContact O-N 3.38Å; T239-V242 VanDerWaalsContact O-N 3.11Å; T239-Y243 HydrophobicContact CG2-CD2 3.54Å; T239-Y243 HydrophobicContact CG2-CE2 3.39Å; T239-Y243 WeakPolarHBondContact O-CD2 2.9Å; T239-Y243 PolarHBondContact O-N 2.92Å
240D91.9Very high87.9Confident90 Ų9055.4 Ų55.448%0.48129%0.287SS..Hα-helixtrans-57.8-40.8179.6-65.7-27000112.3S236 D237 Y243 S244S236-D240 VanDerWaalsContact O-CG 3.32Å; S236-D240 PolarHBondContact O-N 3.41Å; D237-D240 PolarHBondContact O-N 2.95Å; D240-Y243 PolarHBondContact O-N 3.49Å; D240-S244 WeakPolarHBondContact O-CB 3.42Å; D240-S244 PolarHBondContact O-N 3.32Å
241K92.9Very high86.4Confident14 Ų1457 Ų576%0.06130%0.296CS..Hα-helixtrans-62.4-48.6174.1-74.5173.6177.5174.60112F179 S182 P183 D237 I238 T239 Y243 S244 L245F179-K241 WeakPolarHBondContact O-CE 3.29Å; F179-K241 PolarHBondContact O-NZ 2.83Å; S182-K241 PolarHBondContact OG-NZ 3.29Å; P183-K241 HydrophobicContact CG-CD 4.25Å; D237-K241 WeakPolarHBondContact O-CG 3.48Å; D237-K241 PolarHBondContact O-N 3.48Å; D237-K241 WeakPolarHBondContact OD2-CD 3.48Å; D237-K241 WeakPolarHBondContact OD2-CE 3.38Å; D237-K241 IonicContact OD2-NZ 3.66Å; D237-K241 PolarHBondContact OD2-NZ 2.79Å; I238-K241 PolarHBondContact O-N 3.04Å; T239-K241 VanDerWaalsContact C-N 3.29Å; T239-K241 PolarHBondContact O-N 2.88Å; K241-Y243 VanDerWaalsContact C-N 3.32Å; K241-Y243 PolarHBondContact O-N 3.46Å; K241-S244 PolarHBondContact O-N 2.91Å; K241-S244 PolarHBondContact O-OG 3.19Å; K241-L245 WeakPolarHBondContact O-CG 3.29Å; K241-L245 PolarHBondContact O-N 2.99Å; K241-L245 VanDerWaalsContact O-N 3.1Å
242V89.3Confident84.9Confident51 Ų5168.2 Ų68.231%0.30933%0.331SS..Hα-helixtrans-60.2-43.1178171.80000111I238 T239 S244 L245 S246 L259 R260I238-V242 HydrophobicContact CG2-CG2 4.37Å; I238-V242 VanDerWaalsContact O-CG2 3.32Å; I238-V242 WeakPolarHBondContact O-CG2 3.35Å; I238-V242 PolarHBondContact O-N 3.36Å; T239-V242 PolarHBondContact O-N 3.38Å; T239-V242 VanDerWaalsContact O-N 3.11Å; V242-S244 PolarHBondContact O-N 3.02Å; V242-L245 PolarHBondContact O-N 3.3Å; V242-S246 PolarHBondContact O-N 3.42Å; V242-L259 HydrophobicContact CG1-CB 4.22Å; V242-R260 HydrophobicContact CG1-CG 4.38Å
243Y85.3Confident83.6Confident101 Ų10167 Ų6740%0.39634%0.335SS..Hα-helixtrans-58.6-47.9174.4-88.4-82.3000111.4T239 D240 K241 L245 S246 D247 R260T239-Y243 HydrophobicContact CG2-CD2 3.54Å; T239-Y243 HydrophobicContact CG2-CE2 3.39Å; T239-Y243 WeakPolarHBondContact O-CD2 2.9Å; T239-Y243 PolarHBondContact O-N 2.92Å; D240-Y243 PolarHBondContact O-N 3.49Å; K241-Y243 VanDerWaalsContact C-N 3.32Å; K241-Y243 PolarHBondContact O-N 3.46Å; Y243-L245 PolarHBondContact O-N 3.02Å; Y243-S246 PolarHBondContact O-N 2.02Å; Y243-S246 VanDerWaalsContact O-N 3.14Å; Y243-S246 PolarHBondContact O-OG 2.89Å; Y243-D247 PolarHBondContact O-N 3.37Å; Y243-R260 WeakPolarHBondContact OH-CD 3.26Å; Y243-R260 PolarHBondContact OH-NH1 3.09Å
244S83.9Confident82.3Confident45 Ų4568.7 Ų68.732%0.31536%0.356SS..Hα-helixtrans-61.4-27.7179.979.70000114D240 K241 V242D240-S244 WeakPolarHBondContact O-CB 3.42Å; D240-S244 PolarHBondContact O-N 3.32Å; K241-S244 PolarHBondContact O-N 2.91Å; K241-S244 PolarHBondContact O-OG 3.19Å; V242-S244 PolarHBondContact O-N 3.02Å
245L82.4Confident80.9Confident38 Ų3874.1 Ų74.120%0.19938%0.381CS..Hα-helixtrans-84-36.1176.3-64.1175.9000112.2L171 H172 K241 V242 Y243 D247 K248 A249 L259L171-L245 HydrophobicContact CD1-CD1 4.28Å; L171-L245 HydrophobicContact CD1-CD2 3.7Å; L171-L245 HydrophobicContact CD2-CD1 4.31Å; L171-L245 HydrophobicContact CD2-CD2 4.45Å; L171-L245 HydrophobicContact CG-CD1 4.36Å; L171-L245 HydrophobicContact CG-CD2 3.69Å; H172-L245 HydrophobicContact CB-CD2 4.15Å; K241-L245 WeakPolarHBondContact O-CG 3.29Å; K241-L245 PolarHBondContact O-N 2.99Å; K241-L245 VanDerWaalsContact O-N 3.1Å; V242-L245 PolarHBondContact O-N 3.3Å; Y243-L245 PolarHBondContact O-N 3.02Å; L245-D247 PolarHBondContact O-N 3.19Å; L245-K248 PolarHBondContact O-N 3.13Å; L245-A249 PolarHBondContact O-N 3.44Å; L245-A249 VanDerWaalsContact O-N 3.12Å; L245-L259 HydrophobicContact CB-CD1 4.02Å
246S78.5Confident79.6Confident4 Ų474.7 Ų74.73%0.02838%0.383CS..Hα-helixtrans-61.7-29.2177.1730000112.7V242 Y243 K248V242-S246 PolarHBondContact O-N 3.42Å; Y243-S246 PolarHBondContact O-N 2.02Å; Y243-S246 VanDerWaalsContact O-N 3.14Å; Y243-S246 PolarHBondContact O-OG 2.89Å; S246-K248 PolarHBondContact O-N 3.2Å
247D71.6Confident78.3Confident86 Ų8675.8 Ų75.846%0.4638%0.378SS..THydrogen-bonded Turntrans-67.3-20.1175.4-74.417.2000113.1Y243 L245 R256Y243-D247 PolarHBondContact O-N 3.37Å; L245-D247 PolarHBondContact O-N 3.19Å; D247-R256 IonicContact OD1-CZ 3.66Å; D247-R256 IonicContact OD1-NH2 3.74Å; D247-R256 PolarHBondContact OD1-NH2 2.9Å; D247-R256 IonicContact OD2-NH2 2.77Å
248K71.9Confident77.1Confident118 Ų11877.3 Ų77.351%0.51339%0.386SS..THydrogen-bonded Turntrans-110.5-8.7-175.4-61.2175.1178.6172.70113.4L245 S246 F250L245-K248 PolarHBondContact O-N 3.13Å; S246-K248 PolarHBondContact O-N 3.2Å; K248-F250 WeakPolarHBondContact O-CD2 3.23Å; K248-F250 PolarHBondContact O-N 3.21Å
249A69.8Low76.1Confident24 Ų2479.9 Ų79.920%0.19840%0.4CS..  trans-83.5112.5-177.600000109.9L245 R256 Y257 L259L245-A249 PolarHBondContact O-N 3.44Å; L245-A249 VanDerWaalsContact O-N 3.12Å; A249-R256 CarbonylContact O-C 3.48Å; A249-R256 WeakPolarHBondContact O-CA 3.32Å; A249-Y257 PolarHBondContact O-N 2.87Å; A249-L259 HydrophobicContact CB-CD1 4.29Å
250F68.7Low75.1Confident121 Ų12182.5 Ų82.553%0.53140%0.402SS..BIsolated β-bridgetrans-121147.4175.3-67.7-88.6000111.1K248 G254 H255 R256K248-F250 WeakPolarHBondContact O-CD2 3.23Å; K248-F250 PolarHBondContact O-N 3.21Å; F250-G254 WeakPolarHBondContact CD1-O 3.36Å; F250-H255 CarbonylContact C-O 3.55Å; F250-H255 VanDerWaalsContact CA-O 3.24Å; F250-H255 WeakPolarHBondContact CA-O 3.33Å; F250-R256 HydrophobicContact CD1-CB 4.19Å; F250-R256 HydrophobicContact CE1-CB 3.97Å; F250-R256 HydrophobicContact CE1-CG 4.4Å
251D66.6Low74.1Confident37 Ų3782.1 Ų82.120%0.19840%0.4CS..  trans-76.4168.8171.282.11.3000111.9A253 G254 H255 Y257D251-A253 PolarHBondContact O-N 3Å; D251-A253 VanDerWaalsContact O-N 3.1Å; D251-A253 WeakPolarHBondContact OD1-CA 3.42Å; D251-A253 WeakPolarHBondContact OD1-CB 3.13Å; D251-A253 PolarHBondContact OD1-N 3.37Å; D251-G254 PolarHBondContact O-N 3.45Å; D251-G254 PolarHBondContact OD1-N 3.17Å; D251-H255 PolarHBondContact N-O 3.02Å; D251-H255 IonicContact OD1-CG 2.67Å; D251-H255 PolarHBondContact OD1-N 2.85Å; D251-H255 IonicContact OD1-ND1 3.57Å; D251-H255 PolarHBondContact OD1-ND1 3.5Å; D251-H255 WeakPolarHBondContact OD2-CB 3.37Å; D251-H255 IonicContact OD2-CG 3.24Å; D251-H255 IonicContact OD2-ND1 3.06Å; D251-H255 PolarHBondContact OD2-ND1 3.5Å; D251-Y257 HydrophobicContact CB-CD2 4.15Å; D251-Y257 HydrophobicContact CB-CE1 4.11Å; D251-Y257 HydrophobicContact CB-CE2 3.28Å; D251-Y257 WeakPolarHBondContact CB-OH 3.47Å; D251-Y257 VanDerWaalsContact N-CE2 3.34Å
252R63.4Low72.7Confident271 Ų27185.3 Ų85.3100%1.02342%0.422SS*.THydrogen-bonded Turntrans-62.3-14.2175.3-70.5-174178.7-178.10.1113.3
253A69.6Low71.4Confident75 Ų7590.1 Ų90.162%0.6245%0.446SS*.THydrogen-bonded Turntrans-1002.9177.100000113.4D251D251-A253 PolarHBondContact O-N 3Å; D251-A253 VanDerWaalsContact O-N 3.1Å; D251-A253 WeakPolarHBondContact OD1-CA 3.42Å; D251-A253 WeakPolarHBondContact OD1-CB 3.13Å; D251-A253 PolarHBondContact OD1-N 3.37Å
254G68.3Low70Confident51 Ų5193.5 Ų93.553%0.52646%0.459SS..SBendtrans85.66.4-178.800000116.8F250 D251F250-G254 WeakPolarHBondContact CD1-O 3.36Å; D251-G254 PolarHBondContact O-N 3.45Å; D251-G254 PolarHBondContact OD1-N 3.17Å
255H68.7Low68.5Low118 Ų11893.2 Ų93.255%0.54646%0.457SS..PPolyproline II helixtrans-80.4138.6175.4-55.195.3000111.9F250 D251F250-H255 CarbonylContact C-O 3.55Å; F250-H255 VanDerWaalsContact CA-O 3.24Å; F250-H255 WeakPolarHBondContact CA-O 3.33Å; D251-H255 PolarHBondContact N-O 3.02Å; D251-H255 IonicContact OD1-CG 2.67Å; D251-H255 PolarHBondContact OD1-N 2.85Å; D251-H255 IonicContact OD1-ND1 3.57Å; D251-H255 PolarHBondContact OD1-ND1 3.5Å; D251-H255 WeakPolarHBondContact OD2-CB 3.37Å; D251-H255 IonicContact OD2-CG 3.24Å; D251-H255 IonicContact OD2-ND1 3.06Å; D251-H255 PolarHBondContact OD2-ND1 3.5Å
256R67.9Low67.1Low151 Ų15199.3 Ų99.357%0.5748%0.484SS*.BIsolated β-bridgetrans-75.5127.3178.2-172.3171.2167.2-175-5110.8D247 A249 F250D247-R256 IonicContact OD1-CZ 3.66Å; D247-R256 IonicContact OD1-NH2 3.74Å; D247-R256 PolarHBondContact OD1-NH2 2.9Å; D247-R256 IonicContact OD2-NH2 2.77Å; A249-R256 CarbonylContact O-C 3.48Å; A249-R256 WeakPolarHBondContact O-CA 3.32Å; F250-R256 HydrophobicContact CD1-CB 4.19Å; F250-R256 HydrophobicContact CE1-CB 3.97Å; F250-R256 HydrophobicContact CE1-CG 4.4Å
257Y69.2Low65.5Low89 Ų89106 Ų10635%0.34952%0.517SS..PPolyproline II helixtrans-86.1125174.8-74.3-66000111.3A249 D251 L259 C265A249-Y257 PolarHBondContact O-N 2.87Å; D251-Y257 HydrophobicContact CB-CD2 4.15Å; D251-Y257 HydrophobicContact CB-CE1 4.11Å; D251-Y257 HydrophobicContact CB-CE2 3.28Å; D251-Y257 WeakPolarHBondContact CB-OH 3.47Å; D251-Y257 VanDerWaalsContact N-CE2 3.34Å; Y257-L259 PolarHBondContact O-N 3.1Å; Y257-C265 HydrophobicContact CD1-CB 4.04Å; Y257-C265 HydrophobicContact CE1-CB 4.22Å
258D70.1Confident64.1Low42 Ų42107.3 Ų107.323%0.22553%0.53CS..  trans-88.595.8167.8-167.1-6.7000110.6R260 L261D258-R260 PolarHBondContact O-N 3.32Å; D258-R260 WeakPolarHBondContact OD1-CB 3.39Å; D258-R260 VanDerWaalsContact OD1-CG 3.28Å; D258-R260 WeakPolarHBondContact OD1-CG 3.33Å; D258-R260 IonicContact OD1-CZ 3.22Å; D258-R260 PolarHBondContact OD1-N 3.46Å; D258-R260 IonicContact OD1-NE 2.71Å; D258-R260 PolarHBondContact OD1-NE 3.34Å; D258-R260 IonicContact OD1-NH2 3.39Å; D258-R260 IonicContact OD2-CZ 2.64Å; D258-R260 VanDerWaalsContact OD2-CZ 3.24Å; D258-R260 IonicContact OD2-NE 3.08Å; D258-R260 PolarHBondContact OD2-NE 3.46Å; D258-R260 IonicContact OD2-NH2 3.05Å; D258-R260 PolarHBondContact OD2-NH2 2.94Å; D258-L261 PolarHBondContact O-N 2.82Å
259L74.4Confident62.7Low86 Ų86104.4 Ų104.445%0.4553%0.533SS..THydrogen-bonded Turntrans-58.1-15.8176.8-71.8159.8000113.3V242 L245 A249 Y257 L261V242-L259 HydrophobicContact CG1-CB 4.22Å; L245-L259 HydrophobicContact CB-CD1 4.02Å; A249-L259 HydrophobicContact CB-CD1 4.29Å; Y257-L259 PolarHBondContact O-N 3.1Å; L259-L261 VanDerWaalsContact C-N 3.29Å
260R72.9Confident61.3Low120 Ų120108.8 Ų108.845%0.45356%0.56SS.*THydrogen-bonded Turntrans-76.7-17.4176-53.9171.3-65.5159.9-1.7112.7V242 Y243 D258 P262V242-R260 HydrophobicContact CG1-CG 4.38Å; Y243-R260 WeakPolarHBondContact OH-CD 3.26Å; Y243-R260 PolarHBondContact OH-NH1 3.09Å; D258-R260 PolarHBondContact O-N 3.32Å; D258-R260 WeakPolarHBondContact OD1-CB 3.39Å; D258-R260 VanDerWaalsContact OD1-CG 3.28Å; D258-R260 WeakPolarHBondContact OD1-CG 3.33Å; D258-R260 IonicContact OD1-CZ 3.22Å; D258-R260 PolarHBondContact OD1-N 3.46Å; D258-R260 IonicContact OD1-NE 2.71Å; D258-R260 PolarHBondContact OD1-NE 3.34Å; D258-R260 IonicContact OD1-NH2 3.39Å; D258-R260 IonicContact OD2-CZ 2.64Å; D258-R260 VanDerWaalsContact OD2-CZ 3.24Å; D258-R260 IonicContact OD2-NE 3.08Å; D258-R260 PolarHBondContact OD2-NE 3.46Å; D258-R260 IonicContact OD2-NH2 3.05Å; D258-R260 PolarHBondContact OD2-NH2 2.94Å; R260-P262 VanDerWaalsContact C-CD 3.44Å; R260-P262 WeakPolarHBondContact O-CD 3.38Å
261L71.7Confident59.9Low82 Ų82111.5 Ų111.543%0.42957%0.574SS.*  trans-124.865.1-178-68.6174.2000110.8D258 L259 N263 Y264 C265D258-L261 PolarHBondContact O-N 2.82Å; L259-L261 VanDerWaalsContact C-N 3.29Å; L261-N263 PolarHBondContact O-N 3.42Å; L261-Y264 HydrophobicContact CB-CD2 3.97Å; L261-Y264 HydrophobicContact CB-CG 4.47Å; L261-Y264 HydrophobicContact CD1-CD2 4.38Å; L261-Y264 HydrophobicContact CD2-CD2 4.13Å; L261-Y264 HydrophobicContact CD2-CE2 4.36Å; L261-Y264 HydrophobicContact CG-CD2 4.4Å; L261-Y264 PolarHBondContact O-N 3.23Å; L261-C265 PolarHBondContact O-SG 2.89Å; L261-C265 VanDerWaalsContact O-SG 3.42Å
262P61.7Low58.8Low81 Ų81117.5 Ų117.553%0.52661%0.606SS.*G310 helixtrans-54.2-35.8-174.3-20.928.8000113.2R260 Y264 C265R260-P262 VanDerWaalsContact C-CD 3.44Å; R260-P262 WeakPolarHBondContact O-CD 3.38Å; P262-Y264 VanDerWaalsContact C-N 3.28Å; P262-Y264 PolarHBondContact O-N 2.98Å; P262-C265 PolarHBondContact O-N 3.45Å
263N62.5Low57.6Low152 Ų152112.5 Ų112.581%0.81359%0.594SS**G310 helixtrans-72.8-16.3-178.5-68.9-16000114L261L261-N263 PolarHBondContact O-N 3.42Å
264Y56.4Low56.2Low172 Ų172120.7 Ų120.768%0.67561%0.609SS**G310 helixtrans-93.7-9.7177.2-75.2-89.2000112.8L261 P262 H266L261-Y264 HydrophobicContact CB-CD2 3.97Å; L261-Y264 HydrophobicContact CB-CG 4.47Å; L261-Y264 HydrophobicContact CD1-CD2 4.38Å; L261-Y264 HydrophobicContact CD2-CD2 4.13Å; L261-Y264 HydrophobicContact CD2-CE2 4.36Å; L261-Y264 HydrophobicContact CG-CD2 4.4Å; L261-Y264 PolarHBondContact O-N 3.23Å; P262-Y264 VanDerWaalsContact C-N 3.28Å; P262-Y264 PolarHBondContact O-N 2.98Å; Y264-H266 PolarHBondContact O-N 3.31Å; Y264-H266 VanDerWaalsContact O-N 3.13Å
265C53.1Low54.6Low40 Ų40122.9 Ų122.927%0.2762%0.622SS.*THydrogen-bonded Turntrans-70.1-5.3-178.1-58.90000114.6Y257 L261 P262Y257-C265 HydrophobicContact CD1-CB 4.04Å; Y257-C265 HydrophobicContact CE1-CB 4.22Å; L261-C265 PolarHBondContact O-SG 2.89Å; L261-C265 VanDerWaalsContact O-SG 3.42Å; P262-C265 PolarHBondContact O-N 3.45Å
266H51.2Low53.3Low165 Ų165125 Ų12576%0.76463%0.632SS**THydrogen-bonded Turntrans-112.65.1-175.3-69.6-58.7000115.2Y264 P268Y264-H266 PolarHBondContact O-N 3.31Å; Y264-H266 VanDerWaalsContact O-N 3.13Å; H266-P268 VanDerWaalsContact O-CD 3.25Å; H266-P268 WeakPolarHBondContact O-CD 3.33Å
267M45Very low51.8Low144 Ų144124.2 Ų124.271%0.70964%0.639SS**PPolyproline II helixtrans-77.7117.4172.6-67.5-64.7-7900108.4G269M267-G269 PolarHBondContact O-N 3.04Å; M267-G269 VanDerWaalsContact O-N 3.17Å
268P42.2Very low50.3Low114 Ų114127.1 Ų127.174%0.7466%0.66SS**PPolyproline II helixtrans-51.9127.1159.1-13.627.8000105.5H266H266-P268 VanDerWaalsContact O-CD 3.25Å; H266-P268 WeakPolarHBondContact O-CD 3.33Å
269G42.3Very low48.6Very low57 Ų57133.3 Ų133.359%0.58869%0.692SS**PPolyproline II helixtrans-46.6137.1-176.500000109.7M267 E271M267-G269 PolarHBondContact O-N 3.04Å; M267-G269 VanDerWaalsContact O-N 3.17Å; G269-E271 PolarHBondContact O-N 3.46Å
270P40.7Very low46.6Very low117 Ų117137.2 Ų137.276%0.7671%0.708SS**PPolyproline II helixtrans-56.4121.617224.1-29.9000105.7L272P270-L272 PolarHBondContact O-N 2.91Å
271E39.5Very low44.8Very low177 Ų177137.2 Ų137.283%0.82772%0.721SS**  trans-49.9105.5152.2-76-176.5157.300103.7G269 E273G269-E271 PolarHBondContact O-N 3.46Å; E271-E273 PolarHBondContact O-N 3.18Å
272L43.4Very low43Very low164 Ų164138.8 Ų138.886%0.85974%0.736SS**  trans-65.782.7170.4-169.275.6000103.6P270 R274P270-L272 PolarHBondContact O-N 2.91Å; L272-R274 PolarHBondContact O-N 3.35Å; L272-R274 VanDerWaalsContact O-N 3.1Å
273E38.8Very low41.9Very low165 Ų165141.1 Ų141.177%0.77175%0.749SS**  trans-49.1123.2173.4-92.6-174140.800105.5E271 A275E271-E273 PolarHBondContact O-N 3.18Å; E273-A275 PolarHBondContact O-N 3.42Å
274R40.1Very low40.8Very low247 Ų247139.7 Ų139.793%0.93275%0.748SS**  trans-52.685.3157.9-84.2179.1-99.6159.4-7.6107.6L272L272-R274 PolarHBondContact O-N 3.35Å; L272-R274 VanDerWaalsContact O-N 3.1Å
275A35.2Very low40Very low98 Ų98135.2 Ų135.281%0.8175%0.754SS**  trans-98.157.9157.800000107.3E273E273-A275 PolarHBondContact O-N 3.42Å
276H40.2Very low39.2Very low163 Ų163142.4 Ų142.476%0.75578%0.784SS**  trans-83.8129.7144.2-122.7-62.5000105.3
277D36.8Very low38.5Very low134 Ų134146.3 Ų146.372%0.71779%0.791SS**SBendtrans88.592.1168.6-47.6-22.6000115.8
278L38.4Very low38.1Very low149 Ų149144.2 Ų144.278%0.7880%0.797SS**  164.377.7121.9-83.5162.6000109.5E280L278-E280 HydrophobicContact CD2-CG 4.13Å
279L34.1Very low37.7Very low172 Ų172147.3 Ų147.390%0.90183%0.833SS**  trans-11072.7153-106.8154.9000106.5V281L279-V281 PolarHBondContact O-N 2.97Å
280E31.8Very low37.4Very low168 Ų168151.9 Ų151.979%0.78585%0.845SS**PPolyproline II helixtrans-65.6116.1161.7-81-170.315200108.1L278L278-E280 HydrophobicContact CD2-CG 4.13Å
281V35.3Very low37.2Very low120 Ų120153.7 Ų153.773%0.72785%0.849SS**PPolyproline II helixtrans-80.1122.5169.5177.10000107.6L279 V283L279-V281 PolarHBondContact O-N 2.97Å; V281-V283 PolarHBondContact O-N 3.42Å
282P34.2Very low37.1Very low116 Ų116152.4 Ų152.475%0.75385%0.85SS**PPolyproline II helixtrans-74.4119.6175.1-7.423.2000109.8P284P282-P284 WeakPolarHBondContact O-CD 3.3Å
283V39.4Very low36.8Very low130 Ų130151.7 Ų151.779%0.78885%0.85SS**PPolyproline II helixtrans-75.3122.6165.71770000108.4V281 G285V281-V283 PolarHBondContact O-N 3.42Å; V283-G285 PolarHBondContact O-N 3.43Å
284P39.6Very low36.6Very low122 Ų122150.9 Ų150.979%0.79286%0.855SS**PPolyproline II helixtrans-72.4121.7172.3-14.930.2000110.3P282P282-P284 WeakPolarHBondContact O-CD 3.3Å
285G37.6Very low36.4Very low78 Ų78144.5 Ų144.580%0.80485%0.85SS**PPolyproline II helixtrans-72.1133.8178.900000113.4V283V283-G285 PolarHBondContact O-N 3.43Å
286E38Very low36.5Very low191 Ų191147.8 Ų147.889%0.89385%0.853SS**PPolyproline II helixtrans-67.5134157.1-82.8176.7129.500110.6
287R36Very low36.2Very low246 Ų246146.6 Ų146.693%0.92886%0.86SS**  trans-161.2124.2131.4-108.7178.3-145.2-169.26.6113.3
288A37.3Very low36.1Very low100 Ų100147.7 Ų147.783%0.82687%0.872SS**  trans77.6105.8138.800000120.3
289A32Very low35.9Very low180 Ų180147.5 Ų147.5100%1.48888%0.88SS**  -137.20108.700000108.9

Retrieved 289 of 289 residues in 1032.4 ms (Link to these results)

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