A0A2K5N205_CERAT Loading...

Protein O-glucosyltransferase 1

AlphaFold DB , UniProt , Accession A0A2K5N205, Species CERAT (Cercocebus atys, Sooty mangabey), Gene POGLUT1, Length 392 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
1M37.1Very low34.4Very low232 Ų232165.3 Ų165.3100%1.14383%0.832SS**  081.80-70.3-176.5-87.600105.5
2E34.6Very low34.2Very low167 Ų167170.8 Ų170.878%0.7884%0.835SS**  40.2121.770.6-70.5179.6165.900109.1
3W28.6Very low34.4Very low244 Ų244168.2 Ų168.292%0.92483%0.826SS**  -156.1151.776.3-91.167.5000113
4W31.6Very low34.5Very low232 Ų232165.4 Ų165.488%0.87982%0.816SS**  trans-62140.8175.4-82.339.9000113.7
5A35.6Very low34.7Very low86 Ų86163.1 Ų163.171%0.71181%0.807SS**  79.9126.5100.500000116
6S31.8Very low34.9Very low125 Ų125164.1 Ų164.187%0.87481%0.805SS**  trans-154.8110.2152.628.20000109.5
7S36.3Very low35.2Very low103 Ų103163.4 Ų163.472%0.7281%0.805SS**  trans-102.3154.5148.1-166.40000106.3
8P42.9Very low35.3Very low122 Ų122162.8 Ų162.879%0.79281%0.805SS**  -139.2148.6115.530.4-14.1000114.7
9L33.5Very low35.6Very low147 Ų147159.8 Ų159.877%0.7780%0.798SS**  trans-47.5150.6169.3-75.975.6000114.3
10R33.3Very low35.7Very low226 Ų226157.9 Ų157.985%0.85380%0.798SS**  -177.6131.3101.4-96.4176.6-177.6-158.40.5112.4
11L33Very low35.8Very low134 Ų134155.2 Ų155.270%0.70280%0.8SS**  trans44.5131.5145.7-87.165.1000116.7
12W32.5Very low35.8Very low231 Ų231153.2 Ų153.288%0.87579%0.788SS**  -145.1130.572-9355.3000111.5
13L37Very low35.9Very low137 Ų137148.6 Ų148.672%0.71779%0.785SS**  trans-68.5127.9160.3-86.493.9000109L15L13-L15 HydrophobicContact CD2-CD1 3.95Å
14L35.4Very low36.4Very low130 Ų130149.2 Ų149.268%0.68179%0.787SS**  trans-136.193.8150.5-100.2155.4000107.8F16L14-F16 PolarHBondContact O-N 2.95Å
15L37.5Very low36.9Very low131 Ų131145.8 Ų145.869%0.68678%0.781SS**  trans-58.1106.9160.5-87.7125000108.6L13 L17L13-L15 HydrophobicContact CD2-CD1 3.95Å; L15-L17 PolarHBondContact O-N 3.04Å
16F37.2Very low37.5Very low178 Ų178149.7 Ų149.778%0.78178%0.782SS**  trans-8895.4152.8-85.8-78.3000108L14 L18L14-F16 PolarHBondContact O-N 2.95Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.85Å
17L40.4Very low38.1Very low153 Ų153152.2 Ų152.280%0.80178%0.78SS**  trans-59.493.7157.7-73.9161.3000107.7L15L15-L17 PolarHBondContact O-N 3.04Å
18L37.7Very low38.5Very low153 Ų153151.9 Ų151.980%0.80178%0.778SS**PPolyproline II helixtrans-70.4125.6161.9-75.4166.9000107.2F16F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 2.85Å
19P40.4Very low39Very low105 Ų105148.2 Ų148.268%0.68276%0.762SS**PPolyproline II helixtrans-60.1145.1171.825.4-31.1000108.6A21P19-A21 PolarHBondContact O-N 2.91Å
20P37.9Very low40.9Very low121 Ų121145.4 Ų145.479%0.78676%0.755SS**PPolyproline II helixtrans-59.1120.4175.423.8-28000107.2Q22P20-Q22 PolarHBondContact O-N 3Å
21A37.4Very low43.8Very low102 Ų102140.7 Ų140.784%0.84374%0.74SS**  trans-52.9109.817200000107.2P19 G23P19-A21 PolarHBondContact O-N 2.91Å; A21-G23 PolarHBondContact O-N 2.99Å
22Q36.7Very low46.9Very low190 Ų190135.2 Ų135.289%0.88871%0.71SS**  trans-50.5126.2176.4-80.4170.1-27.600108.4P20 R24P20-Q22 PolarHBondContact O-N 3Å; Q22-R24 PolarHBondContact O-N 2.74Å
23G37.4Very low50Low70 Ų70129.4 Ų129.472%0.72269%0.691SS**  trans-53.7129-173.900000112.1A21 Q25A21-G23 PolarHBondContact O-N 2.99Å; G23-Q25 PolarHBondContact O-N 3.31Å
24R39.8Very low52.9Low258 Ų258128 Ų12897%0.97469%0.688SS**  trans-8477144.9-84.9-177.6176.9175.8-0107.7Q22Q22-R24 PolarHBondContact O-N 2.74Å
25Q41.9Very low55.9Low160 Ų160122.9 Ų122.975%0.74866%0.66SS**  trans-104.9131.2157.5-93.6-158.9-200109.5G23G23-Q25 PolarHBondContact O-N 3.31Å
26K47.9Very low58.8Low167 Ų167118.9 Ų118.973%0.72664%0.639SS**  trans7596153.2-70.6173.4174.4171.40118.8
27E43.2Very low61.7Low178 Ų178112.6 Ų112.683%0.83261%0.614SS**SBendtrans-127.1-24134.6-83.7-171154.500113.5S30E27-S30 PolarHBondContact O-OG 3.36Å
28S46.5Very low64.5Low97 Ų97108.3 Ų108.368%0.67859%0.59SS**Hα-helixtrans-80.5-23.4177.776.40000114.5S30S28-S30 VanDerWaalsContact C-N 3.27Å; S28-S30 PolarHBondContact O-N 3.32Å
29G53.1Low67.4Low44 Ų44101.2 Ų101.245%0.45455%0.552SS.*Hα-helixtrans-69.9-17.8-176.900000114.8
30S73.4Confident70.1Confident89 Ų8999.9 Ų99.962%0.62254%0.539SS*.Hα-helixtrans-87.9-41.2177.364.80000112.4E27 S28 W32 K33E27-S30 PolarHBondContact O-OG 3.36Å; S28-S30 VanDerWaalsContact C-N 3.27Å; S28-S30 PolarHBondContact O-N 3.32Å; S30-W32 PolarHBondContact O-N 3.46Å; S30-K33 WeakPolarHBondContact O-CB 3.42Å; S30-K33 PolarHBondContact O-N 3.45Å
31K93.9Very high73Confident126 Ų12699.1 Ų99.155%0.54852%0.521SS..Hα-helixtrans-60.2-41.7-171.6-175.2177.3179.1-177.90113.1
32W97.6Very high76Confident19 Ų1995.2 Ų95.27%0.07249%0.487CS..THydrogen-bonded Turntrans-102.76.3-175.7-55.1126.1000113.9S30 V34 F35 I36 E323 Q326 F327 A330 N331S30-W32 PolarHBondContact O-N 3.46Å; W32-V34 PolarHBondContact O-N 3.27Å; W32-F35 HydrophobicContact CE3-CD2 4.03Å; W32-F35 HydrophobicContact CE3-CE2 4.22Å; W32-F35 HydrophobicContact CZ3-CE2 4.31Å; W32-F35 PolarHBondContact O-N 3.05Å; W32-F35 VanDerWaalsContact O-N 3.13Å; W32-I36 HydrophobicContact CB-CG1 4.43Å; W32-I36 WeakPolarHBondContact O-CG1 3.38Å; W32-I36 PolarHBondContact O-N 3.37Å; W32-E323 HydrophobicContact CZ3-CG 4.11Å; W32-Q326 HydrophobicContact CH2-CB 3.63Å; W32-Q326 HydrophobicContact CZ2-CB 4.12Å; W32-F327 HydrophobicContact CB-CD2 3.84Å; W32-F327 HydrophobicContact CB-CE2 4.06Å; W32-F327 HydrophobicContact CD2-CB 4.28Å; W32-F327 AromaticContact CD2-CD2 3.92Å; W32-F327 HydrophobicContact CD2-CD2 3.92Å; W32-F327 HydrophobicContact CE3-CB 3.79Å; W32-F327 AromaticContact CE3-CD2 3.94Å; W32-F327 HydrophobicContact CE3-CD2 3.94Å; W32-F327 HydrophobicContact CE3-CG 4.34Å; W32-F327 AromaticContact CG-CD2 3.9Å; W32-F327 HydrophobicContact CG-CD2 3.9Å; W32-F327 HydrophobicContact CH2-CB 4.29Å; W32-F327 HydrophobicContact CZ3-CB 3.8Å; W32-A330 HydrophobicContact CZ2-CB 4.16Å; W32-A330 VanDerWaalsContact NE1-CB 3.3Å; W32-N331 VanDerWaalsContact CD1-ND2 3.3Å
33K97.1Very high78.9Confident109 Ų10988.8 Ų88.847%0.47446%0.459SS..Hα-helixtrans-53.3-41.8-174.5179.5165.9174.249.90112.6S30 F35 I36 D37S30-K33 WeakPolarHBondContact O-CB 3.42Å; S30-K33 PolarHBondContact O-N 3.45Å; K33-F35 PolarHBondContact O-N 3.21Å; K33-I36 PolarHBondContact O-N 2.84Å; K33-D37 VanDerWaalsContact CE-OD2 3.28Å; K33-D37 WeakPolarHBondContact CE-OD2 3.36Å; K33-D37 VanDerWaalsContact CG-OD2 3.27Å; K33-D37 WeakPolarHBondContact CG-OD2 3.33Å; K33-D37 VanDerWaalsContact NZ-CG 3.27Å; K33-D37 IonicContact NZ-OD1 3.01Å; K33-D37 PolarHBondContact NZ-OD1 3Å; K33-D37 IonicContact NZ-OD2 2.7Å; K33-D37 PolarHBondContact NZ-OD2 3.46Å; K33-D37 VanDerWaalsContact O-CB 3.29Å; K33-D37 WeakPolarHBondContact O-CB 3.44Å; K33-D37 PolarHBondContact O-N 3.15Å
34V98.1Very high81.8Confident107 Ų10792.8 Ų92.865%0.64846%0.459SS*.Hα-helixtrans-59.4-46.5-178.8177.30000111.8W32 Q38W32-V34 PolarHBondContact O-N 3.27Å; V34-Q38 VanDerWaalsContact O-CB 3.29Å; V34-Q38 WeakPolarHBondContact O-CB 3.31Å; V34-Q38 PolarHBondContact O-N 3.08Å
35F98.4Very high84.6Confident23 Ų2386.9 Ų86.910%0.10145%0.447CS..Hα-helixtrans-72.3-40.8179.2-63-54.7000112.2W32 K33 Q38 I39 W308 E323 L324 F327W32-F35 HydrophobicContact CE3-CD2 4.03Å; W32-F35 HydrophobicContact CE3-CE2 4.22Å; W32-F35 HydrophobicContact CZ3-CE2 4.31Å; W32-F35 PolarHBondContact O-N 3.05Å; W32-F35 VanDerWaalsContact O-N 3.13Å; K33-F35 PolarHBondContact O-N 3.21Å; F35-Q38 PolarHBondContact O-N 2.76Å; F35-I39 WeakPolarHBondContact O-CD1 3.37Å; F35-I39 VanDerWaalsContact O-CG1 3.29Å; F35-I39 WeakPolarHBondContact O-CG1 3.37Å; F35-I39 PolarHBondContact O-N 3.27Å; F35-W308 AromaticContact CD1-CH2 3.54Å; F35-W308 HydrophobicContact CD1-CH2 3.54Å; F35-W308 HydrophobicContact CD1-CZ2 4.1Å; F35-W308 HydrophobicContact CD1-CZ3 4.26Å; F35-W308 HydrophobicContact CE1-CH2 4.01Å; F35-W308 HydrophobicContact CE1-CZ2 4.47Å; F35-W308 HydrophobicContact CG-CH2 4.41Å; F35-E323 HydrophobicContact CE2-CG 3.86Å; F35-E323 HydrophobicContact CZ-CG 4.09Å; F35-L324 HydrophobicContact CD1-CD2 4.16Å; F35-L324 HydrophobicContact CE1-CD2 3.6Å; F35-L324 HydrophobicContact CE2-CD2 4.5Å; F35-L324 HydrophobicContact CZ-CD2 3.8Å; F35-F327 HydrophobicContact CB-CD1 4.21Å; F35-F327 HydrophobicContact CB-CD2 3.86Å; F35-F327 HydrophobicContact CB-CE1 4.01Å; F35-F327 HydrophobicContact CB-CE2 3.64Å; F35-F327 HydrophobicContact CB-CG 4.15Å; F35-F327 HydrophobicContact CB-CZ 3.73Å; F35-F327 HydrophobicContact CD2-CB 3.93Å; F35-F327 HydrophobicContact CD2-CD1 4.3Å; F35-F327 AromaticContact CD2-CD2 3.8Å; F35-F327 HydrophobicContact CD2-CD2 3.8Å; F35-F327 HydrophobicContact CD2-CE2 4.45Å; F35-F327 AromaticContact CD2-CG 3.72Å; F35-F327 HydrophobicContact CD2-CG 3.72Å; F35-F327 HydrophobicContact CE2-CB 4.24Å; F35-F327 HydrophobicContact CE2-CG 4.48Å; F35-F327 HydrophobicContact CG-CD1 4.32Å; F35-F327 HydrophobicContact CG-CD2 4.21Å; F35-F327 HydrophobicContact CG-CE2 4.47Å; F35-F327 HydrophobicContact CG-CG 4.15Å
36I98.4Very high87.3Confident47 Ų4781.3 Ų81.324%0.24142%0.419CS..Hα-helixtrans-62.5-47.5177.3-63.7-63.4000110.9W32 K33 Q38 I39 N40 F327 V334W32-I36 HydrophobicContact CB-CG1 4.43Å; W32-I36 WeakPolarHBondContact O-CG1 3.38Å; W32-I36 PolarHBondContact O-N 3.37Å; K33-I36 PolarHBondContact O-N 2.84Å; I36-Q38 VanDerWaalsContact C-N 3.26Å; I36-Q38 PolarHBondContact O-N 3.27Å; I36-I39 PolarHBondContact O-N 2.79Å; I36-N40 PolarHBondContact O-N 3.22Å; I36-F327 HydrophobicContact CD1-CE2 3.78Å; I36-F327 HydrophobicContact CD1-CZ 3.97Å; I36-F327 HydrophobicContact CG1-CE2 4.13Å; I36-V334 HydrophobicContact CD1-CG2 4.28Å
37D98.3Very high89.7Confident47 Ų4781.4 Ų81.425%0.25142%0.422SS..Hα-helixtrans-63.2-35.3176.7-66.5-12.6000111.2K33 R41K33-D37 VanDerWaalsContact CE-OD2 3.28Å; K33-D37 WeakPolarHBondContact CE-OD2 3.36Å; K33-D37 VanDerWaalsContact CG-OD2 3.27Å; K33-D37 WeakPolarHBondContact CG-OD2 3.33Å; K33-D37 VanDerWaalsContact NZ-CG 3.27Å; K33-D37 IonicContact NZ-OD1 3.01Å; K33-D37 PolarHBondContact NZ-OD1 3Å; K33-D37 IonicContact NZ-OD2 2.7Å; K33-D37 PolarHBondContact NZ-OD2 3.46Å; K33-D37 VanDerWaalsContact O-CB 3.29Å; K33-D37 WeakPolarHBondContact O-CB 3.44Å; K33-D37 PolarHBondContact O-N 3.15Å; D37-R41 WeakPolarHBondContact O-CG 3.5Å; D37-R41 PolarHBondContact O-N 3.37Å
38Q98.6Very high92.2Very high62 Ų6277.4 Ų77.429%0.2941%0.411SS..Hα-helixtrans-66.6-41.3175.3-177.257.95100112.3V34 F35 I36 R41 S42 W308V34-Q38 VanDerWaalsContact O-CB 3.29Å; V34-Q38 WeakPolarHBondContact O-CB 3.31Å; V34-Q38 PolarHBondContact O-N 3.08Å; F35-Q38 PolarHBondContact O-N 2.76Å; I36-Q38 VanDerWaalsContact C-N 3.26Å; I36-Q38 PolarHBondContact O-N 3.27Å; Q38-R41 PolarHBondContact O-N 3.19Å; Q38-S42 PolarHBondContact NE2-OG 3.01Å; Q38-S42 WeakPolarHBondContact O-CB 3.34Å; Q38-S42 PolarHBondContact O-N 3.47Å; Q38-S42 PolarHBondContact O-OG 3.23Å; Q38-W308 HydrophobicContact CG-CD2 4.28Å; Q38-W308 HydrophobicContact CG-CG 4.1Å
39I98.8Very high94.6Very high4 Ų473.9 Ų73.92%0.02139%0.386CS..Hα-helixtrans-62.5-46.3175.3-69.4159.2000110.1F35 I36 R41 S42 L43 W308 F327 V334 I338F35-I39 WeakPolarHBondContact O-CD1 3.37Å; F35-I39 VanDerWaalsContact O-CG1 3.29Å; F35-I39 WeakPolarHBondContact O-CG1 3.37Å; F35-I39 PolarHBondContact O-N 3.27Å; I36-I39 PolarHBondContact O-N 2.79Å; I39-R41 PolarHBondContact O-N 2.97Å; I39-S42 PolarHBondContact O-N 3.4Å; I39-L43 HydrophobicContact CG2-CD1 3.83Å; I39-L43 HydrophobicContact CG2-CG 4.36Å; I39-L43 WeakPolarHBondContact O-CG 3.43Å; I39-L43 PolarHBondContact O-N 2.91Å; I39-W308 HydrophobicContact CD1-CE3 4.21Å; I39-W308 HydrophobicContact CG1-CB 4Å; I39-W308 HydrophobicContact CG1-CD2 4.27Å; I39-W308 HydrophobicContact CG1-CE3 3.77Å; I39-W308 HydrophobicContact CG1-CG 4.4Å; I39-F327 HydrophobicContact CD1-CE1 3.93Å; I39-F327 HydrophobicContact CD1-CZ 3.58Å; I39-V334 HydrophobicContact CD1-CG1 3.71Å; I39-I338 HydrophobicContact CD1-CD1 4.04Å; I39-I338 HydrophobicContact CG1-CD1 4.37Å
40N98.5Very high96.5Very high77 Ų7777.1 Ų77.141%0.41240%0.402SS..Hα-helixtrans-59-49.6177.6-69.2-17.4000111.5I36 S42 L43 E44I36-N40 PolarHBondContact O-N 3.22Å; N40-S42 VanDerWaalsContact C-N 3.29Å; N40-S42 PolarHBondContact O-N 2.9Å; N40-L43 PolarHBondContact O-N 3.26Å; N40-L43 VanDerWaalsContact O-N 3.14Å; N40-E44 WeakPolarHBondContact O-CG 3.23Å; N40-E44 PolarHBondContact O-N 3.5Å
41R98.8Very high97.5Very high105 Ų10574 Ų7440%0.39638%0.381SS..Hα-helixtrans-58.1-41.3175.2-74.8-170.5-60.6-88.51.3112.5D37 Q38 I39 L43 N45D37-R41 WeakPolarHBondContact O-CG 3.5Å; D37-R41 PolarHBondContact O-N 3.37Å; Q38-R41 PolarHBondContact O-N 3.19Å; I39-R41 PolarHBondContact O-N 2.97Å; R41-L43 VanDerWaalsContact C-N 3.33Å; R41-N45 WeakPolarHBondContact O-CB 3.4Å; R41-N45 VanDerWaalsContact O-CG 3.28Å; R41-N45 PolarHBondContact O-N 3.29Å; R41-N45 VanDerWaalsContact O-N 3.09Å; R41-N45 PolarHBondContact O-ND2 3.34Å; R41-N45 VanDerWaalsContact O-ND2 3.07Å
42S98.7Very high97.4Very high20 Ų2076.5 Ų76.514%0.1439%0.394CS..Hα-helixtrans-67-34.9178.7-75.10000112.3Q38 I39 N40 Y46Q38-S42 PolarHBondContact NE2-OG 3.01Å; Q38-S42 WeakPolarHBondContact O-CB 3.34Å; Q38-S42 PolarHBondContact O-N 3.47Å; Q38-S42 PolarHBondContact O-OG 3.23Å; I39-S42 PolarHBondContact O-N 3.4Å; N40-S42 VanDerWaalsContact C-N 3.29Å; N40-S42 PolarHBondContact O-N 2.9Å; S42-Y46 WeakPolarHBondContact O-CB 3.29Å; S42-Y46 PolarHBondContact O-N 3.48Å
43L98.6Very high97.3Very high55 Ų5579.4 Ų79.429%0.28841%0.411SS..Hα-helixtrans-74.6-39.2175.2-70.3170.7000112.3I39 N40 R41 N45 Y46 V309I39-L43 HydrophobicContact CG2-CD1 3.83Å; I39-L43 HydrophobicContact CG2-CG 4.36Å; I39-L43 WeakPolarHBondContact O-CG 3.43Å; I39-L43 PolarHBondContact O-N 2.91Å; N40-L43 PolarHBondContact O-N 3.26Å; N40-L43 VanDerWaalsContact O-N 3.14Å; R41-L43 VanDerWaalsContact C-N 3.33Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.86Å; L43-Y46 WeakPolarHBondContact O-CB 3.34Å; L43-Y46 PolarHBondContact O-N 3.06Å; L43-Y46 VanDerWaalsContact O-N 3.16Å; L43-V309 HydrophobicContact CD2-CG1 4.21Å; L43-V309 HydrophobicContact CD2-CG2 4.32Å
44E98.5Very high97.4Very high155 Ų15574.3 Ų74.372%0.72439%0.389SS*.Hα-helixtrans-61.5-37.2174.9-75.3171.9177.600112.1N40 Y46N40-E44 WeakPolarHBondContact O-CG 3.23Å; N40-E44 PolarHBondContact O-N 3.5Å; E44-Y46 VanDerWaalsContact C-N 3.34Å
45N98.3Very high97.3Very high133 Ų13372 Ų7271%0.71138%0.378SS*.THydrogen-bonded Turntrans-86.9-2.5177.5-66-32.6000113.5R41 L43 E47R41-N45 WeakPolarHBondContact O-CB 3.4Å; R41-N45 VanDerWaalsContact O-CG 3.28Å; R41-N45 PolarHBondContact O-N 3.29Å; R41-N45 VanDerWaalsContact O-N 3.09Å; R41-N45 PolarHBondContact O-ND2 3.34Å; R41-N45 VanDerWaalsContact O-ND2 3.07Å; L43-N45 VanDerWaalsContact C-N 3.28Å; L43-N45 PolarHBondContact O-N 2.86Å; N45-E47 PolarHBondContact O-N 3.3Å
46Y98.4Very high97.3Very high43 Ų4371.3 Ų71.317%0.16938%0.376CS..  trans-82.9119.5-177179.5-122.6000110.4S42 L43 E44 P48 K306 V309 H310S42-Y46 WeakPolarHBondContact O-CB 3.29Å; S42-Y46 PolarHBondContact O-N 3.48Å; L43-Y46 WeakPolarHBondContact O-CB 3.34Å; L43-Y46 PolarHBondContact O-N 3.06Å; L43-Y46 VanDerWaalsContact O-N 3.16Å; E44-Y46 VanDerWaalsContact C-N 3.34Å; Y46-P48 HydrophobicContact CD1-CG 3.98Å; Y46-P48 HydrophobicContact CE1-CB 3.88Å; Y46-P48 HydrophobicContact CE1-CG 3.78Å; Y46-P48 WeakPolarHBondContact O-CD 3.39Å; Y46-K306 HydrophobicContact CD2-CB 4.43Å; Y46-K306 HydrophobicContact CD2-CG 3.8Å; Y46-K306 HydrophobicContact CE2-CG 3.95Å; Y46-V309 HydrophobicContact CD1-CG1 3.7Å; Y46-V309 HydrophobicContact CD2-CG1 4.08Å; Y46-V309 HydrophobicContact CD2-CG2 4.24Å; Y46-V309 HydrophobicContact CE1-CG1 3.87Å; Y46-V309 HydrophobicContact CE2-CG1 4.25Å; Y46-V309 HydrophobicContact CG-CG1 3.81Å; Y46-V309 HydrophobicContact CG-CG2 4.03Å; Y46-H310 AromaticContact CE2-CE1 3.53Å; Y46-H310 AromaticContact CZ-CE1 3.56Å; Y46-H310 AromaticContact CZ-NE2 3.65Å; Y46-H310 PolarHBondContact OH-CE1 3.39Å; Y46-H310 PolarHBondContact OH-NE2 2.94Å
47E97.9Very high97.3Very high170 Ų17069.1 Ų69.179%0.79436%0.364SS*.  trans-96.5107.9168.7-64.5-178.5166.600108.7N45N45-E47 PolarHBondContact O-N 3.3Å
48P96.9Very high97.3Very high93 Ų9370.8 Ų70.860%0.60437%0.371SS*.  trans-66.2139.9178.8-17.631.2000111.1Y46 S50Y46-P48 HydrophobicContact CD1-CG 3.98Å; Y46-P48 HydrophobicContact CE1-CB 3.88Å; Y46-P48 HydrophobicContact CE1-CG 3.78Å; Y46-P48 WeakPolarHBondContact O-CD 3.39Å; P48-S50 PolarHBondContact O-N 3.41Å
49C95.7Very high97.3Very high23 Ų2370.1 Ų70.116%0.15538%0.381CS..  trans-75.8115.6167-1690000109.5C56 H349C49-C56 HydrophobicContact CB-CB 3.77Å; C49-C56 WeakPolarHBondContact CB-SG 3.17Å; C49-C56 WeakPolarHBondContact SG-CA 3.3Å; C49-C56 WeakPolarHBondContact SG-CB 3.49Å; C49-C56 CovalentContact SG-SG 2.02Å; C49-C56 PolarHBondContact SG-SG 2.81Å; C49-H349 PolarHBondContact O-CE1 3.21Å; C49-H349 VanDerWaalsContact O-CE1 3.24Å; C49-H349 PolarHBondContact O-NE2 3.47Å
50S93.8Very high97.3Very high113 Ų11370.4 Ų70.479%0.7938%0.382SS*.  trans-92.10.1175.256.60000113.4P48P48-S50 PolarHBondContact O-N 3.41Å
51S93.8Very high97.3Very high24 Ų2466.9 Ų66.917%0.16836%0.364CS..  trans-68.5144.8-176.8-166.50000112.3N53 S55 H349S51-N53 VanDerWaalsContact C-N 3.35Å; S51-N53 PolarHBondContact OG-N 2.96Å; S51-N53 VanDerWaalsContact OG-N 3.15Å; S51-N53 PolarHBondContact OG-O 3.18Å; S51-N53 PolarHBondContact OG-OD1 3.32Å; S51-S55 WeakPolarHBondContact CB-OG 3.5Å; S51-S55 PolarHBondContact OG-OG 2.92Å; S51-H349 PolarHBondContact O-CE1 2.92Å; S51-H349 VanDerWaalsContact O-CE1 3.29Å; S51-H349 PolarHBondContact O-ND1 3.47Å
52Q93.1Very high97.3Very high177 Ų17766.6 Ų66.683%0.82737%0.367SS*.SBendtrans-93.53.3170.9-59.5-61.6-44.800112.2
53N95.3Very high97.3Very high81 Ų8171.4 Ų71.443%0.43339%0.387SS..SBendtrans-130.4-176.6176.46932.4000110.6S51 S55S51-N53 VanDerWaalsContact C-N 3.35Å; S51-N53 PolarHBondContact OG-N 2.96Å; S51-N53 VanDerWaalsContact OG-N 3.15Å; S51-N53 PolarHBondContact OG-O 3.18Å; S51-N53 PolarHBondContact OG-OD1 3.32Å; N53-S55 PolarHBondContact O-N 2.96Å; N53-S55 WeakPolarHBondContact OD1-CB 3.48Å; N53-S55 PolarHBondContact OD1-N 3.45Å; N53-S55 PolarHBondContact OD1-OG 3.26Å
54C97.8Very high97.4Very high2 Ų269.1 Ų69.11%0.01438%0.375CS..G310 helixtrans-72.98.5-176.370.40000116C56 Y57 D354 C357 Y358 N361C54-C56 PolarHBondContact O-N 2.75Å; C54-C56 VanDerWaalsContact O-N 3.1Å; C54-Y57 HydrophobicContact CB-CD2 4.21Å; C54-Y57 WeakPolarHBondContact O-CD2 3.22Å; C54-Y57 PolarHBondContact O-N 3.12Å; C54-D354 HydrophobicContact CB-CB 4.45Å; C54-C357 HydrophobicContact CB-CB 3.6Å; C54-C357 WeakPolarHBondContact CB-SG 3.49Å; C54-C357 PolarHBondContact N-SG 3.36Å; C54-C357 VanDerWaalsContact N-SG 3.35Å; C54-C357 WeakPolarHBondContact SG-CB 3.34Å; C54-C357 PolarHBondContact SG-O 3.18Å; C54-C357 VanDerWaalsContact SG-O 3.39Å; C54-C357 CovalentContact SG-SG 2.04Å; C54-C357 PolarHBondContact SG-SG 2.64Å; C54-Y358 PolarHBondContact SG-N 3.22Å; C54-N361 PolarHBondContact SG-ND2 3.07Å
55S97.9Very high97.4Very high57 Ų5762 Ų6240%0.39934%0.342SS..G310 helixtrans-61.4-19.6179.968.40000113.5S51 N53 Y57 H58S51-S55 WeakPolarHBondContact CB-OG 3.5Å; S51-S55 PolarHBondContact OG-OG 2.92Å; N53-S55 PolarHBondContact O-N 2.96Å; N53-S55 WeakPolarHBondContact OD1-CB 3.48Å; N53-S55 PolarHBondContact OD1-N 3.45Å; N53-S55 PolarHBondContact OD1-OG 3.26Å; S55-Y57 PolarHBondContact O-N 2.85Å; S55-H58 WeakPolarHBondContact O-CB 3.25Å; S55-H58 PolarHBondContact O-N 2.79Å; S55-H58 VanDerWaalsContact O-N 3.08Å
56C97.5Very high97.4Very high10 Ų1058.2 Ų58.27%0.06832%0.324CS..G310 helixtrans-49.3-27.9168.7-51.70000112.7C49 C54 Q304C49-C56 HydrophobicContact CB-CB 3.77Å; C49-C56 WeakPolarHBondContact CB-SG 3.17Å; C49-C56 WeakPolarHBondContact SG-CA 3.3Å; C49-C56 WeakPolarHBondContact SG-CB 3.49Å; C49-C56 CovalentContact SG-SG 2.02Å; C49-C56 PolarHBondContact SG-SG 2.81Å; C54-C56 PolarHBondContact O-N 2.75Å; C54-C56 VanDerWaalsContact O-N 3.1Å; C56-Q304 VanDerWaalsContact O-CG 3.23Å; C56-Q304 WeakPolarHBondContact O-CG 3.4Å; C56-Q304 PolarHBondContact O-NE2 3.05Å
57Y98.7Very high97.4Very high0 Ų058.8 Ų58.80%033%0.332CS..G310 helixtrans-105.83.9-173.2-51.5-67.3000113.7C54 S55 G59 V60 F300 F301 Q304 F345 H349 Y358C54-Y57 HydrophobicContact CB-CD2 4.21Å; C54-Y57 WeakPolarHBondContact O-CD2 3.22Å; C54-Y57 PolarHBondContact O-N 3.12Å; S55-Y57 PolarHBondContact O-N 2.85Å; Y57-G59 VanDerWaalsContact C-N 3.28Å; Y57-G59 PolarHBondContact O-N 2.81Å; Y57-V60 WeakPolarHBondContact O-CB 3.39Å; Y57-V60 PolarHBondContact O-N 3.11Å; Y57-F300 HydrophobicContact CD1-CD2 4.46Å; Y57-F300 HydrophobicContact CD1-CE2 4.33Å; Y57-F300 AromaticContact CD2-CE2 3.99Å; Y57-F300 HydrophobicContact CD2-CE2 3.99Å; Y57-F300 HydrophobicContact CE2-CE2 4.32Å; Y57-F300 HydrophobicContact CG-CD2 4.26Å; Y57-F300 AromaticContact CG-CE2 3.99Å; Y57-F300 HydrophobicContact CG-CE2 3.99Å; Y57-F301 HydrophobicContact CD1-CB 4.26Å; Y57-F301 HydrophobicContact CE1-CB 3.65Å; Y57-Q304 HydrophobicContact CD1-CB 4.27Å; Y57-Q304 HydrophobicContact CD1-CG 3.65Å; Y57-Q304 HydrophobicContact CE1-CB 3.87Å; Y57-Q304 HydrophobicContact CE1-CG 3.73Å; Y57-F345 HydrophobicContact CE1-CZ 4.21Å; Y57-H349 WeakPolarHBondContact CE2-O 3.5Å; Y57-H349 VanDerWaalsContact CZ-O 3.23Å; Y57-H349 PolarHBondContact OH-O 3.41Å; Y57-Y358 VanDerWaalsContact CB-CE2 3.49Å; Y57-Y358 HydrophobicContact CD2-CD2 4.48Å; Y57-Y358 HydrophobicContact CG-CD2 4.33Å
58H98.4Very high97.5Very high83 Ų8350.9 Ų50.938%0.38430%0.295SS..Hα-helixtrans-59.9-36.9-175.7-171.5-91.9000112.9S55 V60 I61 E62S55-H58 WeakPolarHBondContact O-CB 3.25Å; S55-H58 PolarHBondContact O-N 2.79Å; S55-H58 VanDerWaalsContact O-N 3.08Å; H58-V60 PolarHBondContact O-N 3.33Å; H58-V60 VanDerWaalsContact O-N 3.15Å; H58-I61 WeakPolarHBondContact O-CB 3.14Å; H58-I61 PolarHBondContact O-N 3.24Å; H58-E62 PolarHBondContact O-N 3.2Å
59G98.6Very high97.5Very high48 Ų4853 Ų5350%0.49529%0.291SS..Hα-helixtrans-59.5-25.9175.900000113.7Y57 E63Y57-G59 VanDerWaalsContact C-N 3.28Å; Y57-G59 PolarHBondContact O-N 2.81Å; G59-E63 WeakPolarHBondContact O-CB 3.46Å; G59-E63 PolarHBondContact O-N 3.22Å
60V98.8Very high97.6Very high9 Ų956 Ų566%0.05533%0.327CS..Hα-helixtrans-73.8-41.3175-175.60000111Y57 H58 E62 D64 M160 F300 P303Y57-V60 WeakPolarHBondContact O-CB 3.39Å; Y57-V60 PolarHBondContact O-N 3.11Å; H58-V60 PolarHBondContact O-N 3.33Å; H58-V60 VanDerWaalsContact O-N 3.15Å; V60-E62 VanDerWaalsContact C-N 3.32Å; V60-D64 VanDerWaalsContact O-CB 3.29Å; V60-D64 WeakPolarHBondContact O-CB 3.3Å; V60-D64 VanDerWaalsContact O-CG 3.29Å; V60-D64 PolarHBondContact O-N 2.91Å; V60-M160 HydrophobicContact CG1-CE 3.52Å; V60-F300 WeakPolarHBondContact CG2-O 3.27Å; V60-P303 HydrophobicContact CG2-CB 4.01Å; V60-P303 HydrophobicContact CG2-CG 3.81Å
61I98.9Very high97.8Very high4 Ų451.9 Ų51.92%0.02130%0.302CS..Hα-helixtrans-61.8-45.3174.1-61.5173.1000109.6H58 D64 L65 Y358 N361 L362 E365H58-I61 WeakPolarHBondContact O-CB 3.14Å; H58-I61 PolarHBondContact O-N 3.24Å; I61-D64 PolarHBondContact O-N 3Å; I61-L65 HydrophobicContact CG2-CD1 3.62Å; I61-L65 HydrophobicContact CG2-CG 4.23Å; I61-L65 WeakPolarHBondContact O-CB 3.37Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 2.86Å; I61-Y358 HydrophobicContact CD1-CD2 4.03Å; I61-Y358 HydrophobicContact CD1-CE2 3.72Å; I61-Y358 HydrophobicContact CG1-CD2 4.32Å; I61-Y358 HydrophobicContact CG1-CE1 4.3Å; I61-Y358 HydrophobicContact CG1-CE2 3.5Å; I61-Y358 WeakPolarHBondContact CG1-OH 3.36Å; I61-N361 HydrophobicContact CD1-CB 3.93Å; I61-L362 HydrophobicContact CD1-CB 4.18Å; I61-L362 HydrophobicContact CG1-CB 4.39Å; I61-L362 HydrophobicContact CG1-CD1 4.22Å; I61-L362 HydrophobicContact CG2-CD1 4.05Å; I61-E365 HydrophobicContact CG2-CB 4.13Å; I61-E365 HydrophobicContact CG2-CG 4.35Å
62E98.8Very high98.1Very high99 Ų9950.8 Ų50.846%0.46329%0.294SS..Hα-helixtrans-61-48.5-179.6-174.6178.1176.500112.3H58 V60 L65 T66 R69H58-E62 PolarHBondContact O-N 3.2Å; V60-E62 VanDerWaalsContact C-N 3.32Å; E62-L65 PolarHBondContact O-N 3.38Å; E62-T66 PolarHBondContact O-N 2.03Å; E62-T66 VanDerWaalsContact O-N 3.1Å; E62-T66 PolarHBondContact O-OG1 2.74Å; E62-R69 IonicContact OE1-NH2 2.65Å; E62-R69 PolarHBondContact OE1-NH2 2.98Å
63E98.8Very high98.4Very high121 Ų12144.6 Ų44.657%0.56527%0.27SS*.Hα-helixtrans-60.3-48.5177.3-178.463.9-156.900110.8G59 L65 T66G59-E63 WeakPolarHBondContact O-CB 3.46Å; G59-E63 PolarHBondContact O-N 3.22Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 2.88Å; E63-T66 WeakPolarHBondContact O-CB 3.36Å; E63-T66 PolarHBondContact O-N 2.89Å
64D98.9Very high98.5Very high7 Ų746.2 Ų46.24%0.03727%0.271CS..Hα-helixtrans-67.3-29.9-175.7-76.73.4000113.4V60 I61 K152 I159 M160V60-D64 VanDerWaalsContact O-CB 3.29Å; V60-D64 WeakPolarHBondContact O-CB 3.3Å; V60-D64 VanDerWaalsContact O-CG 3.29Å; V60-D64 PolarHBondContact O-N 2.91Å; I61-D64 PolarHBondContact O-N 3Å; D64-K152 VanDerWaalsContact CG-NZ 3.26Å; D64-K152 WeakPolarHBondContact OD1-CE 3.5Å; D64-K152 IonicContact OD1-NZ 3.18Å; D64-K152 PolarHBondContact OD1-NZ 3.2Å; D64-K152 IonicContact OD2-NZ 3.96Å; D64-I159 HydrophobicContact CB-CG2 4.15Å; D64-M160 WeakPolarHBondContact OD2-CB 3.44Å; D64-M160 PolarHBondContact OD2-N 3.06Å
65L98.9Very high98.6Very high4 Ų454.7 Ų54.72%0.02131%0.307CS..Hα-helixtrans-90-10178.2-62.5-177.6000113.5I61 E62 E63 P67 F68 I159 E365 Y366 F369I61-L65 HydrophobicContact CG2-CD1 3.62Å; I61-L65 HydrophobicContact CG2-CG 4.23Å; I61-L65 WeakPolarHBondContact O-CB 3.37Å; I61-L65 VanDerWaalsContact O-CG 3.27Å; I61-L65 WeakPolarHBondContact O-CG 3.47Å; I61-L65 PolarHBondContact O-N 2.86Å; E62-L65 PolarHBondContact O-N 3.38Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 2.88Å; L65-P67 VanDerWaalsContact C-CD 3.49Å; L65-F68 PolarHBondContact O-N 2.99Å; L65-I159 HydrophobicContact CD2-CD1 3.7Å; L65-I159 HydrophobicContact CD2-CG1 4.11Å; L65-I159 HydrophobicContact CD2-CG2 4.13Å; L65-E365 HydrophobicContact CD1-CB 3.74Å; L65-Y366 HydrophobicContact CD2-CD2 3.93Å; L65-F369 HydrophobicContact CB-CD2 4.43Å; L65-F369 HydrophobicContact CB-CE2 3.87Å; L65-F369 HydrophobicContact CD1-CD2 4.35Å; L65-F369 HydrophobicContact CD1-CE2 3.9Å; L65-F369 HydrophobicContact CG-CE2 4.43Å
66T98.8Very high98.6Very high55 Ų5553.7 Ų53.734%0.33730%0.297SS..G310 helixtrans-54-43.9-179.3-71.70000114E62 E63 F68 R69E62-T66 PolarHBondContact O-N 2.03Å; E62-T66 VanDerWaalsContact O-N 3.1Å; E62-T66 PolarHBondContact O-OG1 2.74Å; E63-T66 WeakPolarHBondContact O-CB 3.36Å; E63-T66 PolarHBondContact O-N 2.89Å; T66-F68 PolarHBondContact O-N 3.29Å; T66-R69 WeakPolarHBondContact O-CG 3.09Å; T66-R69 PolarHBondContact O-N 3.24Å; T66-R69 PolarHBondContact OG1-NE 3.32Å; T66-R69 PolarHBondContact OG1-NH2 2.84Å
67P98.8Very high98.7Very high54 Ų5453.3 Ų53.335%0.35129%0.294SS..G310 helixtrans-60.3-18.5177.4-2535.6000114.6L65 A144L65-P67 VanDerWaalsContact C-CD 3.49Å; P67-A144 HydrophobicContact CB-CB 4Å
68F98.8Very high98.7Very high4 Ų455.4 Ų55.42%0.01831%0.312CS..G310 helixtrans-106.75.2-173.7-50.7-65.2000113.6L65 T66 G70 G71 I72 A144 P146 I159L65-F68 PolarHBondContact O-N 2.99Å; T66-F68 PolarHBondContact O-N 3.29Å; F68-G70 PolarHBondContact O-N 3.06Å; F68-G70 VanDerWaalsContact O-N 3.11Å; F68-G71 PolarHBondContact O-N 2.75Å; F68-I72 HydrophobicContact CB-CD1 4Å; F68-I72 HydrophobicContact CB-CG1 3.97Å; F68-I72 HydrophobicContact CD1-CG1 4.25Å; F68-I72 HydrophobicContact CG-CD1 4.26Å; F68-I72 HydrophobicContact CG-CG1 4.34Å; F68-A144 HydrophobicContact CE1-CB 3.98Å; F68-A144 HydrophobicContact CZ-CB 4.44Å; F68-P146 HydrophobicContact CD1-CB 4.26Å; F68-P146 HydrophobicContact CE1-CB 3.99Å; F68-P146 HydrophobicContact CE2-CB 4.4Å; F68-P146 HydrophobicContact CZ-CB 4.06Å; F68-I159 HydrophobicContact CD2-CD1 4Å; F68-I159 HydrophobicContact CD2-CG1 4.36Å; F68-I159 HydrophobicContact CE2-CD1 3.71Å; F68-I159 HydrophobicContact CE2-CG1 3.77Å
69R98.3Very high98.7Very high137 Ų13754.9 Ų54.952%0.51731%0.309SS..THydrogen-bonded Turntrans-57.6-25.8178.2-72177-177.3-168.8-0.3113.7E62 T66 G71 F369E62-R69 IonicContact OE1-NH2 2.65Å; E62-R69 PolarHBondContact OE1-NH2 2.98Å; T66-R69 WeakPolarHBondContact O-CG 3.09Å; T66-R69 PolarHBondContact O-N 3.24Å; T66-R69 PolarHBondContact OG1-NE 3.32Å; T66-R69 PolarHBondContact OG1-NH2 2.84Å; R69-G71 PolarHBondContact O-N 2.69Å; R69-F369 HydrophobicContact CB-CE1 4.26Å; R69-F369 HydrophobicContact CG-CE1 3.94Å; R69-F369 HydrophobicContact CG-CZ 4.21Å
70G97.8Very high98.7Very high88 Ų8852.6 Ų52.691%0.90729%0.286SS*.THydrogen-bonded Turntrans-72.9-5.8173.800000115F68F68-G70 PolarHBondContact O-N 3.06Å; F68-G70 VanDerWaalsContact O-N 3.11Å
71G98.5Very high98.7Very high26 Ų2653 Ų5327%0.26829%0.288SS..  trans97.4141.8178.500000114F68 R69 F369F68-G71 PolarHBondContact O-N 2.75Å; R69-G71 PolarHBondContact O-N 2.69Å; G71-F369 CarbonylContact C-O 3.59Å; G71-F369 VanDerWaalsContact CA-O 3.31Å; G71-F369 WeakPolarHBondContact CA-O 3.47Å
72I98.9Very high98.7Very high0 Ų060.8 Ų60.80%032%0.317CS..BIsolated β-bridgetrans-99.4108.2177.7-61.4162.6000107.8F68 M76 M77 P146 Y366 F369 L370 S371 Y372F68-I72 HydrophobicContact CB-CD1 4Å; F68-I72 HydrophobicContact CB-CG1 3.97Å; F68-I72 HydrophobicContact CD1-CG1 4.25Å; F68-I72 HydrophobicContact CG-CD1 4.26Å; F68-I72 HydrophobicContact CG-CG1 4.34Å; I72-M76 HydrophobicContact CB-SD 4.42Å; I72-M76 HydrophobicContact CG1-SD 4.4Å; I72-M76 HydrophobicContact CG2-SD 4.08Å; I72-M77 HydrophobicContact CG2-CE 4.29Å; I72-P146 HydrophobicContact CD1-CB 4.01Å; I72-P146 HydrophobicContact CD1-CG 3.91Å; I72-P146 HydrophobicContact CG1-CG 4.13Å; I72-P146 HydrophobicContact CG2-CG 3.83Å; I72-Y366 HydrophobicContact CD1-CD2 4.14Å; I72-Y366 HydrophobicContact CD1-CE2 3.35Å; I72-F369 HydrophobicContact CD1-CB 4.1Å; I72-F369 HydrophobicContact CG1-CB 4.45Å; I72-F369 PolarHBondContact N-O 3.21Å; I72-L370 HydrophobicContact CB-CD2 4.02Å; I72-L370 HydrophobicContact CG2-CD2 3.79Å; I72-S371 PolarHBondContact O-N 3.37Å; I72-S371 PolarHBondContact O-OG 2.83Å; I72-Y372 WeakPolarHBondContact O-CD1 3.29Å; I72-Y372 WeakPolarHBondContact O-CE1 3.29Å
73S98.8Very high98.7Very high47 Ų4760.5 Ų60.533%0.32931%0.312SS..  trans-80158.6-179.474.40000112.9K75 M76 M77 S371S73-K75 PolarHBondContact O-N 2.92Å; S73-M76 WeakPolarHBondContact O-CB 3.38Å; S73-M76 PolarHBondContact O-N 3.01Å; S73-M76 VanDerWaalsContact O-N 3.1Å; S73-M76 PolarHBondContact OG-N 3.47Å; S73-M77 PolarHBondContact O-N 2.8Å; S73-S371 WeakPolarHBondContact CA-OG 3.04Å
74R98.8Very high98.6Very high115 Ų11561.6 Ų61.643%0.43431%0.314SS..Hα-helixtrans-54.2-38.8172.9-172.3-175-62.5-77.22.1112.5A78 Y372 N373R74-A78 WeakPolarHBondContact O-CB 3.3Å; R74-A78 PolarHBondContact O-N 3.02Å; R74-Y372 HydrophobicContact CB-CD1 4.03Å; R74-Y372 HydrophobicContact CB-CD2 3.9Å; R74-Y372 HydrophobicContact CB-CE1 4.29Å; R74-Y372 HydrophobicContact CB-CE2 4.12Å; R74-Y372 HydrophobicContact CB-CG 3.84Å; R74-Y372 HydrophobicContact CG-CD2 4.13Å; R74-Y372 HydrophobicContact CG-CE2 4.14Å; R74-Y372 VanDerWaalsContact CZ-CD2 3.46Å; R74-Y372 VanDerWaalsContact N-CD1 3.26Å; R74-N373 PolarHBondContact NH2-O 3.13Å
75K98.7Very high98.6Very high181 Ų18162 Ų6279%0.78732%0.316SS*.Hα-helixtrans-66.8-42.1178.5-71.3-175.5179.7179.20111.5S73 A78 E79S73-K75 PolarHBondContact O-N 2.92Å; K75-A78 PolarHBondContact O-N 3.2Å; K75-E79 PolarHBondContact O-N 3.46Å
76M98.8Very high98.6Very high36 Ų3662.5 Ų62.518%0.17732%0.323CS..Hα-helixtrans-60-51.2176-176.6-174.5-78.500110.5I72 S73 A78 E79 V80 A144 I145I72-M76 HydrophobicContact CB-SD 4.42Å; I72-M76 HydrophobicContact CG1-SD 4.4Å; I72-M76 HydrophobicContact CG2-SD 4.08Å; S73-M76 WeakPolarHBondContact O-CB 3.38Å; S73-M76 PolarHBondContact O-N 3.01Å; S73-M76 VanDerWaalsContact O-N 3.1Å; S73-M76 PolarHBondContact OG-N 3.47Å; M76-A78 PolarHBondContact O-N 3.26Å; M76-E79 WeakPolarHBondContact O-CB 3.34Å; M76-E79 PolarHBondContact O-N 3.45Å; M76-E79 VanDerWaalsContact O-N 3.12Å; M76-V80 VanDerWaalsContact O-CG2 3.28Å; M76-V80 WeakPolarHBondContact O-CG2 3.41Å; M76-V80 PolarHBondContact O-N 3.46Å; M76-A144 WeakPolarHBondContact CE-O 3.33Å; M76-I145 HydrophobicContact CG-CB 4.47Å; M76-I145 HydrophobicContact CG-CG2 3.9Å
77M98.9Very high98.6Very high1 Ų160.3 Ų60.31%0.00531%0.31CS..Hα-helixtrans-59.9-43.8177.8-17658.26800112.4I72 S73 E79 V80 V81 E126 V128 P146 Y366 L370 Y372I72-M77 HydrophobicContact CG2-CE 4.29Å; S73-M77 PolarHBondContact O-N 2.8Å; M77-E79 PolarHBondContact O-N 2.98Å; M77-V80 PolarHBondContact O-N 2.91Å; M77-V81 WeakPolarHBondContact O-CG2 3.16Å; M77-V81 PolarHBondContact O-N 2.82Å; M77-V81 HydrophobicContact SD-CG2 4.35Å; M77-E126 HydrophobicContact CE-CG 4.32Å; M77-E126 VanDerWaalsContact CE-O 3.29Å; M77-E126 WeakPolarHBondContact CE-O 3.35Å; M77-E126 HydrophobicContact CG-CG 3.88Å; M77-E126 HydrophobicContact SD-CG 4.42Å; M77-V128 HydrophobicContact SD-CG2 4.06Å; M77-P146 HydrophobicContact CE-CG 4.28Å; M77-Y366 WeakPolarHBondContact CE-OH 3.48Å; M77-L370 HydrophobicContact CE-CD2 4.3Å; M77-Y372 VanDerWaalsContact CB-OH 3.24Å; M77-Y372 WeakPolarHBondContact CB-OH 3.33Å; M77-Y372 WeakPolarHBondContact CG-OH 3.49Å
78A98.6Very high98.6Very high45 Ų4557.8 Ų57.837%0.37229%0.293SS..Hα-helixtrans-57.9-38.6176.300000112.3R74 K75 M76 R82R74-A78 WeakPolarHBondContact O-CB 3.3Å; R74-A78 PolarHBondContact O-N 3.02Å; K75-A78 PolarHBondContact O-N 3.2Å; M76-A78 PolarHBondContact O-N 3.26Å; A78-R82 WeakPolarHBondContact O-CB 3.31Å; A78-R82 PolarHBondContact O-N 3.12Å
79E98.5Very high98.6Very high72 Ų7257.6 Ų57.634%0.33629%0.292SS..Hα-helixtrans-68.4-42176.5-178.559.8-165.800112.4K75 M76 M77 V81 R82 R83K75-E79 PolarHBondContact O-N 3.46Å; M76-E79 WeakPolarHBondContact O-CB 3.34Å; M76-E79 PolarHBondContact O-N 3.45Å; M76-E79 VanDerWaalsContact O-N 3.12Å; M77-E79 PolarHBondContact O-N 2.98Å; E79-V81 VanDerWaalsContact C-N 3.33Å; E79-V81 PolarHBondContact O-N 3.2Å; E79-R82 PolarHBondContact O-N 3.42Å; E79-R82 IonicContact OE1-CZ 2.75Å; E79-R82 IonicContact OE1-NE 3.01Å; E79-R82 IonicContact OE1-NH2 2.83Å; E79-R82 PolarHBondContact OE1-NH2 3.38Å; E79-R82 IonicContact OE2-CZ 2.64Å; E79-R82 IonicContact OE2-NE 2.79Å; E79-R82 PolarHBondContact OE2-NE 2.98Å; E79-R82 IonicContact OE2-NH2 3.29Å; E79-R82 PolarHBondContact OE2-NH2 3.05Å; E79-R83 WeakPolarHBondContact O-CB 3.38Å; E79-R83 VanDerWaalsContact O-CG 3.29Å; E79-R83 WeakPolarHBondContact O-CG 3.12Å; E79-R83 PolarHBondContact O-N 3.09Å; E79-R83 WeakPolarHBondContact OE1-CD 3.31Å
80V98.7Very high98.7Very high0 Ų051.1 Ų51.10%027%0.268CS..Hα-helixtrans-58.1-47.7175.5-170.80000110.8M76 M77 R83 K84 L85 V128 I145 V147M76-V80 VanDerWaalsContact O-CG2 3.28Å; M76-V80 WeakPolarHBondContact O-CG2 3.41Å; M76-V80 PolarHBondContact O-N 3.46Å; M77-V80 PolarHBondContact O-N 2.91Å; V80-R83 PolarHBondContact O-N 3.29Å; V80-K84 PolarHBondContact O-N 3.42Å; V80-L85 HydrophobicContact CG1-CD1 4.34Å; V80-V128 HydrophobicContact CB-CG2 4.17Å; V80-V128 HydrophobicContact CG1-CB 3.78Å; V80-V128 HydrophobicContact CG1-CG1 4.04Å; V80-V128 HydrophobicContact CG1-CG2 3.69Å; V80-I145 HydrophobicContact CG2-CB 3.74Å; V80-I145 HydrophobicContact CG2-CD1 4.11Å; V80-I145 HydrophobicContact CG2-CG1 4.34Å; V80-I145 HydrophobicContact CG2-CG2 4.34Å; V80-V147 HydrophobicContact CG1-CG2 3.55Å
81V98.7Very high98.7Very high16 Ų1646.9 Ų46.910%0.09723%0.225CC..Hα-helixtrans-63.8-44.3178.5177.80000111.1M77 E79 R83 K84 H88 V128M77-V81 WeakPolarHBondContact O-CG2 3.16Å; M77-V81 PolarHBondContact O-N 2.82Å; M77-V81 HydrophobicContact SD-CG2 4.35Å; E79-V81 VanDerWaalsContact C-N 3.33Å; E79-V81 PolarHBondContact O-N 3.2Å; V81-R83 PolarHBondContact O-N 2.93Å; V81-K84 PolarHBondContact O-N 3.05Å; V81-H88 HydrophobicContact CG1-CB 4.27Å; V81-H88 HydrophobicContact CG2-CB 4.08Å; V81-V128 HydrophobicContact CG2-CG2 3.66Å
82R98.6Very high98.7Very high169 Ų16946.8 Ų46.864%0.63822%0.218SC*.Hα-helixtrans-59-36.9178.8-170.4-168.270.479.20.6112A78 E79 K84A78-R82 WeakPolarHBondContact O-CB 3.31Å; A78-R82 PolarHBondContact O-N 3.12Å; E79-R82 PolarHBondContact O-N 3.42Å; E79-R82 IonicContact OE1-CZ 2.75Å; E79-R82 IonicContact OE1-NE 3.01Å; E79-R82 IonicContact OE1-NH2 2.83Å; E79-R82 PolarHBondContact OE1-NH2 3.38Å; E79-R82 IonicContact OE2-CZ 2.64Å; E79-R82 IonicContact OE2-NE 2.79Å; E79-R82 PolarHBondContact OE2-NE 2.98Å; E79-R82 IonicContact OE2-NH2 3.29Å; E79-R82 PolarHBondContact OE2-NH2 3.05Å; R82-K84 VanDerWaalsContact C-N 3.25Å; R82-K84 PolarHBondContact O-N 3.25Å
83R98.4Very high98.7Very high92 Ų9254.4 Ų54.435%0.34725%0.251SS..THydrogen-bonded Turntrans-75.6-8.3179.3-70.517764-174.9-3.1114E79 V80 V81 L85 M141 I145E79-R83 WeakPolarHBondContact O-CB 3.38Å; E79-R83 VanDerWaalsContact O-CG 3.29Å; E79-R83 WeakPolarHBondContact O-CG 3.12Å; E79-R83 PolarHBondContact O-N 3.09Å; E79-R83 WeakPolarHBondContact OE1-CD 3.31Å; V80-R83 PolarHBondContact O-N 3.29Å; V81-R83 PolarHBondContact O-N 2.93Å; R83-L85 VanDerWaalsContact C-N 3.27Å; R83-L85 HydrophobicContact CB-CD1 4.26Å; R83-L85 HydrophobicContact CB-CD2 4.02Å; R83-L85 HydrophobicContact CB-CG 3.78Å; R83-L85 PolarHBondContact O-N 3.22Å; R83-M141 PolarHBondContact NH1-SD 3.38Å; R83-I145 VanDerWaalsContact NH1-CD1 3.28Å
84K98.4Very high98.7Very high144 Ų14455.8 Ų55.863%0.62626%0.255SS*.THydrogen-bonded Turntrans53.141.3179.8-59.2-168.7173.8-162.30113.4V80 V81 R82 G86V80-K84 PolarHBondContact O-N 3.42Å; V81-K84 PolarHBondContact O-N 3.05Å; R82-K84 VanDerWaalsContact C-N 3.25Å; R82-K84 PolarHBondContact O-N 3.25Å; K84-G86 PolarHBondContact O-N 2.84Å
85L98.4Very high98.7Very high15 Ų1556.8 Ų56.88%0.07926%0.258CS..  trans-72.9-15.1-180-57.4-177.2000112.8V80 R83 N130 Q136 I145 V147V80-L85 HydrophobicContact CG1-CD1 4.34Å; R83-L85 VanDerWaalsContact C-N 3.27Å; R83-L85 HydrophobicContact CB-CD1 4.26Å; R83-L85 HydrophobicContact CB-CD2 4.02Å; R83-L85 HydrophobicContact CB-CG 3.78Å; R83-L85 PolarHBondContact O-N 3.22Å; L85-N130 WeakPolarHBondContact O-CB 3.5Å; L85-Q136 HydrophobicContact CB-CB 4.23Å; L85-Q136 HydrophobicContact CB-CG 4.4Å; L85-Q136 WeakPolarHBondContact O-CG 3.26Å; L85-I145 HydrophobicContact CD1-CD1 3.53Å; L85-V147 HydrophobicContact CB-CG1 4.48Å; L85-V147 HydrophobicContact CB-CG2 3.87Å; L85-V147 HydrophobicContact CD1-CG2 3.86Å
86G98.8Very high98.7Very high16 Ų1648.2 Ų48.217%0.16522%0.221CC..SBendtrans-168.2-167.4175.300000110.3K84 V128K84-G86 PolarHBondContact O-N 2.84Å; G86-V128 VanDerWaalsContact CA-CG1 3.48Å
87T98.9Very high98.7Very high9 Ų947.2 Ų47.26%0.05522%0.215CC..EExtended strand (participates in β ladder)trans-90.2126.7175.6-62.20000109.7Y89 R98 E99 I129T87-Y89 HydrophobicContact CG2-CD2 4.24Å; T87-Y89 HydrophobicContact CG2-CE2 3.58Å; T87-Y89 VanDerWaalsContact O-CD2 3.3Å; T87-Y89 WeakPolarHBondContact O-CD2 3.46Å; T87-R98 HydrophobicContact CG2-CG 3.59Å; T87-E99 VanDerWaalsContact CA-OE1 3.31Å; T87-E99 WeakPolarHBondContact CA-OE1 3.3Å; T87-E99 HydrophobicContact CG2-CG 4.05Å; T87-I129 PolarHBondContact N-O 3.48Å; T87-I129 PolarHBondContact O-N 3.47Å
88H98.9Very high98.7Very high0 Ų049 Ų490%022%0.222CC..EExtended strand (participates in β ladder)trans-84.3126.8-177.4-175.8-138.7000111.8V81 R98 E99 E126 M127 V128 Y380V81-H88 HydrophobicContact CG1-CB 4.27Å; V81-H88 HydrophobicContact CG2-CB 4.08Å; H88-R98 WeakPolarHBondContact O-CA 3.32Å; H88-R98 WeakPolarHBondContact O-CG 3.36Å; H88-E99 PolarHBondContact N-OE1 2.79Å; H88-E99 PolarHBondContact O-N 3.14Å; H88-E99 VanDerWaalsContact O-N 3.08Å; H88-E126 IonicContact CE1-OE2 2.75Å; H88-E126 PolarHBondContact CE1-OE2 2.75Å; H88-E126 IonicContact NE2-OE2 3.71Å; H88-E126 PolarHBondContact NE2-OE2 2.84Å; H88-M127 PolarHBondContact CD2-O 3.42Å; H88-V128 HydrophobicContact CB-CG2 4.44Å; H88-Y380 HydrophobicContact CB-CE2 4.32Å; H88-Y380 AromaticContact CE1-CE2 3.9Å; H88-Y380 AromaticContact CG-CE2 3.99Å; H88-Y380 AromaticContact ND1-CE2 3.23Å; H88-Y380 WeakPolarHBondContact ND1-CE2 3.38Å; H88-Y380 AromaticContact ND1-CZ 3.44Å; H88-Y380 PolarHBondContact ND1-OH 2.82Å
89Y98.9Very high98.7Very high0 Ų048.5 Ų48.50%021%0.212CC..EExtended strand (participates in β ladder)trans-122.2150.3177.7-70-93.1000111T87 L96 Y97 R98 C108 E112 E126 M127 I129T87-Y89 HydrophobicContact CG2-CD2 4.24Å; T87-Y89 HydrophobicContact CG2-CE2 3.58Å; T87-Y89 VanDerWaalsContact O-CD2 3.3Å; T87-Y89 WeakPolarHBondContact O-CD2 3.46Å; Y89-L96 HydrophobicContact CD1-CD1 3.86Å; Y89-L96 HydrophobicContact CD1-CD2 4.28Å; Y89-L96 HydrophobicContact CD1-CG 4.16Å; Y89-L96 HydrophobicContact CE1-CD2 4.46Å; Y89-Y97 CarbonylContact C-O 3.59Å; Y89-Y97 VanDerWaalsContact CA-O 3.3Å; Y89-Y97 WeakPolarHBondContact CA-O 3.11Å; Y89-R98 HydrophobicContact CD1-CB 3.8Å; Y89-R98 HydrophobicContact CD1-CG 3.59Å; Y89-R98 HydrophobicContact CD2-CG 4.33Å; Y89-R98 HydrophobicContact CE1-CB 3.81Å; Y89-R98 HydrophobicContact CE1-CG 3.34Å; Y89-R98 HydrophobicContact CE2-CG 4.12Å; Y89-R98 HydrophobicContact CG-CG 4.09Å; Y89-R98 WeakPolarHBondContact OH-CD 3.25Å; Y89-C108 WeakPolarHBondContact OH-CB 3.37Å; Y89-E112 HydrophobicContact CE1-CG 3.81Å; Y89-E112 PolarHBondContact OH-OE1 3.43Å; Y89-E126 VanDerWaalsContact O-CA 3.3Å; Y89-E126 WeakPolarHBondContact O-CA 3.09Å; Y89-E126 WeakPolarHBondContact O-CB 3.23Å; Y89-M127 HydrophobicContact CG-CE 4.26Å; Y89-M127 PolarHBondContact N-O 3.31Å; Y89-M127 PolarHBondContact O-N 3.38Å; Y89-I129 HydrophobicContact CD2-CB 4.13Å; Y89-I129 HydrophobicContact CD2-CD1 3.89Å; Y89-I129 HydrophobicContact CD2-CG1 4Å; Y89-I129 HydrophobicContact CE2-CB 4.07Å; Y89-I129 HydrophobicContact CE2-CD1 4.17Å; Y89-I129 HydrophobicContact CE2-CG1 4.36Å
90Q98.9Very high98.6Very high1 Ų150 Ų501%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-134.9136174.1-51.6-173.6-63.700109.7L96 Y97 M125 E126 V374 T375 Y380Q90-L96 CarbonylContact O-C 3.58Å; Q90-Y97 PolarHBondContact N-O 3.23Å; Q90-Y97 PolarHBondContact O-N 3.04Å; Q90-M125 CarbonylContact C-O 3.59Å; Q90-M125 WeakPolarHBondContact CA-O 3.4Å; Q90-E126 HydrophobicContact CB-CB 4.24Å; Q90-E126 HydrophobicContact CG-CB 3.81Å; Q90-E126 PolarHBondContact NE2-OE2 2.97Å; Q90-V374 HydrophobicContact CB-CG1 4.44Å; Q90-T375 PolarHBondContact NE2-O 3.18Å; Q90-Y380 HydrophobicContact CG-CD2 4.39Å; Q90-Y380 HydrophobicContact CG-CE2 4.45Å
91I98.9Very high98.6Very high0 Ų055.1 Ų55.10%025%0.25CC..EExtended strand (participates in β ladder)trans-111.3119.2171.2-61.7175.4000107.2R95 L96 I115 I119 L122 D124 M125 M127I91-R95 WeakPolarHBondContact CA-O 3.15Å; I91-L96 HydrophobicContact CG1-CD1 3.83Å; I91-I115 HydrophobicContact CD1-CG2 3.95Å; I91-I119 HydrophobicContact CD1-CG1 4.43Å; I91-I119 HydrophobicContact CG1-CD1 4.25Å; I91-I119 HydrophobicContact CG2-CD1 4.13Å; I91-I119 HydrophobicContact CG2-CG1 3.92Å; I91-L122 HydrophobicContact CD1-CB 4.45Å; I91-L122 HydrophobicContact CD1-CD1 3.66Å; I91-D124 CarbonylContact O-C 3.55Å; I91-D124 WeakPolarHBondContact O-CA 3.31Å; I91-M125 HydrophobicContact CB-CG 4.17Å; I91-M125 HydrophobicContact CD1-CG 4.15Å; I91-M125 HydrophobicContact CD1-SD 4.36Å; I91-M125 HydrophobicContact CG1-CG 4.41Å; I91-M125 PolarHBondContact N-O 3.43Å; I91-M125 PolarHBondContact O-N 3.05Å; I91-M127 HydrophobicContact CD1-CE 4.32Å
92I98.9Very high98.5Very high24 Ų2455.2 Ų55.212%0.12325%0.251CS..EExtended strand (participates in β ladder)trans-140.2122.5178.6-60.5164.3000108.7N94 R95 Y97 D124 V374 R376I92-N94 VanDerWaalsContact C-N 3.31Å; I92-N94 PolarHBondContact O-N 2.97Å; I92-R95 PolarHBondContact N-O 3.3Å; I92-R95 PolarHBondContact O-N 3.2Å; I92-Y97 HydrophobicContact CB-CE2 4.17Å; I92-D124 WeakPolarHBondContact CA-OD1 3.39Å; I92-V374 HydrophobicContact CD1-CG1 4.1Å; I92-V374 HydrophobicContact CG1-CG1 4.15Å; I92-R376 VanDerWaalsContact CD1-CA 3.46Å; I92-R376 HydrophobicContact CD1-CB 3.54Å; I92-R376 HydrophobicContact CD1-CG 4.42Å
93K98.4Very high98.3Very high159 Ų15952.7 Ų52.769%0.69125%0.248SC*.THydrogen-bonded Turntrans52.250-175.8-59.8-179.4178-174.70111.5R95 D124K93-R95 PolarHBondContact O-N 3.4Å; K93-R95 VanDerWaalsContact O-N 3.15Å; K93-D124 PolarHBondContact N-OD1 3.41Å
94N98.5Very high98.3Very high77 Ų7751.8 Ų51.841%0.41225%0.247SC..THydrogen-bonded Turntrans5727.2179.8-49.2102.2000114.4I92 I119 G120 L122I92-N94 VanDerWaalsContact C-N 3.31Å; I92-N94 PolarHBondContact O-N 2.97Å; N94-I119 WeakPolarHBondContact CB-O 3.48Å; N94-I119 PolarHBondContact ND2-O 2.95Å; N94-G120 PolarHBondContact ND2-O 2.72Å; N94-L122 PolarHBondContact ND2-O 3.37Å
95R98.8Very high98.2Very high135 Ų13549.1 Ų49.151%0.50924%0.244SC..EExtended strand (participates in β ladder)trans-120.6134.3175.9-64173.3-170.2-179.21.6110.1I91 I92 K93 Y97 Q382I91-R95 WeakPolarHBondContact CA-O 3.15Å; I92-R95 PolarHBondContact N-O 3.3Å; I92-R95 PolarHBondContact O-N 3.2Å; K93-R95 PolarHBondContact O-N 3.4Å; K93-R95 VanDerWaalsContact O-N 3.15Å; R95-Y97 HydrophobicContact CB-CE2 3.69Å; R95-Y97 WeakPolarHBondContact CD-OH 3.28Å; R95-Y97 WeakPolarHBondContact O-CD2 3.34Å; R95-Y97 VanDerWaalsContact O-CE2 3.31Å; R95-Y97 WeakPolarHBondContact O-CE2 3.29Å; R95-Q382 HydrophobicContact CB-CG 4.49Å
96L98.9Very high98.2Very high1 Ų151.3 Ų51.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-88.4132.6178.8-170.659000110.1Y89 Q90 I91 E112 I115 L116 I119 Q382 I383Y89-L96 HydrophobicContact CD1-CD1 3.86Å; Y89-L96 HydrophobicContact CD1-CD2 4.28Å; Y89-L96 HydrophobicContact CD1-CG 4.16Å; Y89-L96 HydrophobicContact CE1-CD2 4.46Å; Q90-L96 CarbonylContact O-C 3.58Å; I91-L96 HydrophobicContact CG1-CD1 3.83Å; L96-E112 HydrophobicContact CD2-CB 4.45Å; L96-E112 HydrophobicContact CD2-CG 4.19Å; L96-I115 HydrophobicContact CD1-CG2 3.95Å; L96-I115 HydrophobicContact CD2-CB 4.27Å; L96-I115 HydrophobicContact CD2-CG2 3.96Å; L96-L116 HydrophobicContact CB-CD2 4Å; L96-L116 HydrophobicContact CD2-CD2 4.23Å; L96-L116 HydrophobicContact CD2-CG 4.24Å; L96-I119 HydrophobicContact CB-CD1 3.63Å; L96-I119 VanDerWaalsContact N-CD1 3.28Å; L96-Q382 CarbonylContact O-C 3.19Å; L96-Q382 WeakPolarHBondContact O-CA 3.41Å; L96-Q382 WeakPolarHBondContact O-CG 3.28Å; L96-I383 HydrophobicContact CB-CB 4.26Å; L96-I383 HydrophobicContact CD2-CB 4.06Å; L96-I383 HydrophobicContact CD2-CG1 4.38Å; L96-I383 HydrophobicContact CD2-CG2 4.33Å; L96-I383 HydrophobicContact CG-CB 4.16Å; L96-I383 HydrophobicContact CG-CG1 4.29Å; L96-I383 PolarHBondContact O-N 3.33Å
97Y98.9Very high98.2Very high15 Ų1552 Ų526%0.05926%0.258CS..EExtended strand (participates in β ladder)trans-126.9149.7172.3-53.7-89.4000109Y89 Q90 I92 R95 R376 D381 Q382Y89-Y97 CarbonylContact C-O 3.59Å; Y89-Y97 VanDerWaalsContact CA-O 3.3Å; Y89-Y97 WeakPolarHBondContact CA-O 3.11Å; Q90-Y97 PolarHBondContact N-O 3.23Å; Q90-Y97 PolarHBondContact O-N 3.04Å; I92-Y97 HydrophobicContact CB-CE2 4.17Å; R95-Y97 HydrophobicContact CB-CE2 3.69Å; R95-Y97 WeakPolarHBondContact CD-OH 3.28Å; R95-Y97 WeakPolarHBondContact O-CD2 3.34Å; R95-Y97 VanDerWaalsContact O-CE2 3.31Å; R95-Y97 WeakPolarHBondContact O-CE2 3.29Å; Y97-R376 HydrophobicContact CD1-CG 4.33Å; Y97-R376 VanDerWaalsContact CD1-NE 3.29Å; Y97-R376 HydrophobicContact CD2-CG 4.49Å; Y97-R376 VanDerWaalsContact CE1-CZ 3.47Å; Y97-R376 VanDerWaalsContact CE1-NE 3.34Å; Y97-R376 HydrophobicContact CG-CG 4.28Å; Y97-D381 WeakPolarHBondContact CA-O 3.27Å; Y97-Q382 HydrophobicContact CD1-CB 3.96Å; Y97-Q382 HydrophobicContact CD1-CG 4.45Å; Y97-Q382 HydrophobicContact CE1-CB 3.8Å; Y97-Q382 HydrophobicContact CE1-CG 4.15Å
98R98.8Very high98.2Very high39 Ų3951.6 Ų51.615%0.14726%0.256CS..EExtended strand (participates in β ladder)trans-141.7154.5-179.2-164.3-166.379.9-170.12.5110.7T87 H88 Y89 N100 E112 Y380 D381 I383T87-R98 HydrophobicContact CG2-CG 3.59Å; H88-R98 WeakPolarHBondContact O-CA 3.32Å; H88-R98 WeakPolarHBondContact O-CG 3.36Å; Y89-R98 HydrophobicContact CD1-CB 3.8Å; Y89-R98 HydrophobicContact CD1-CG 3.59Å; Y89-R98 HydrophobicContact CD2-CG 4.33Å; Y89-R98 HydrophobicContact CE1-CB 3.81Å; Y89-R98 HydrophobicContact CE1-CG 3.34Å; Y89-R98 HydrophobicContact CE2-CG 4.12Å; Y89-R98 HydrophobicContact CG-CG 4.09Å; Y89-R98 WeakPolarHBondContact OH-CD 3.25Å; R98-N100 PolarHBondContact NH2-O 3.1Å; R98-E112 WeakPolarHBondContact CD-OE1 3.36Å; R98-E112 IonicContact CZ-OE1 3.6Å; R98-E112 IonicContact NE-OE1 3.83Å; R98-E112 IonicContact NH1-OE1 2.64Å; R98-E112 PolarHBondContact NH1-OE1 3.24Å; R98-Y380 VanDerWaalsContact C-CD2 3.4Å; R98-Y380 WeakPolarHBondContact O-CA 3.29Å; R98-Y380 WeakPolarHBondContact O-CB 3.13Å; R98-D381 PolarHBondContact N-O 2.7Å; R98-I383 HydrophobicContact CB-CD1 3.92Å; R98-I383 HydrophobicContact CB-CG1 3.87Å
99E98.4Very high98.2Very high34 Ų3452.5 Ų52.516%0.15926%0.262CS..  trans-61.6157.3162.675.1-177.5123.500112.3T87 H88 D101 Y380T87-E99 VanDerWaalsContact CA-OE1 3.31Å; T87-E99 WeakPolarHBondContact CA-OE1 3.3Å; T87-E99 HydrophobicContact CG2-CG 4.05Å; H88-E99 PolarHBondContact N-OE1 2.79Å; H88-E99 PolarHBondContact O-N 3.14Å; H88-E99 VanDerWaalsContact O-N 3.08Å; E99-D101 PolarHBondContact O-N 3.44Å; E99-Y380 HydrophobicContact CB-CD1 4.38Å; E99-Y380 HydrophobicContact CB-CE1 3.67Å; E99-Y380 HydrophobicContact CB-CE2 4.05Å; E99-Y380 VanDerWaalsContact CB-CZ 3.48Å
100N97.2Very high98.2Very high105 Ų10552.5 Ų52.556%0.56126%0.262SS*.SBendtrans-64.9-42.3-177.3-64-11.1000111.6R98 C102 G379R98-N100 PolarHBondContact NH2-O 3.1Å; N100-C102 PolarHBondContact O-N 3.41Å; N100-G379 PolarHBondContact OD1-O 3.31Å
101D97.1Very high98.2Very high106 Ų10652.5 Ų52.557%0.56726%0.262SS*.  trans-74120.9-173.7-68.1-12.5000111.8E99E99-D101 PolarHBondContact O-N 3.44Å
102C97.3Very high98.2Very high19 Ų1953.2 Ų53.213%0.12827%0.265CS..  trans-135.2112.6162.9173.60000109.3N100 F104 C108N100-C102 PolarHBondContact O-N 3.41Å; C102-F104 PolarHBondContact O-N 3.33Å; C102-F104 PolarHBondContact SG-O 3.02Å; C102-C108 HydrophobicContact CB-CB 4.02Å; C102-C108 WeakPolarHBondContact CB-SG 3.36Å; C102-C108 WeakPolarHBondContact SG-CB 3.32Å; C102-C108 CovalentContact SG-SG 2.03Å; C102-C108 PolarHBondContact SG-SG 3.15Å
103M94.8Very high98.1Very high115 Ų11554.1 Ų54.157%0.56727%0.269SS*.SBendtrans-62.9-27.7-177.4-179.2170.1-71.200113.1R132M103-R132 VanDerWaalsContact SD-CZ 3.54Å; M103-R132 PolarHBondContact SD-NH1 3.32Å; M103-R132 PolarHBondContact SD-NH2 3.44Å; M103-R132 VanDerWaalsContact SD-NH2 3.44Å
104F97.3Very high98.2Very high74 Ų7446.6 Ų46.633%0.32524%0.236SC..SBendtrans-126.482.3178.7-64.1-73.7000110.1C102 S106 R107 C108 V131 R132C102-F104 PolarHBondContact O-N 3.33Å; C102-F104 PolarHBondContact SG-O 3.02Å; F104-S106 PolarHBondContact O-N 3.28Å; F104-R107 HydrophobicContact CB-CB 3.86Å; F104-R107 VanDerWaalsContact CB-CD 3.48Å; F104-R107 HydrophobicContact CB-CG 3.66Å; F104-R107 HydrophobicContact CG-CG 4.44Å; F104-R107 WeakPolarHBondContact O-CA 3.47Å; F104-R107 WeakPolarHBondContact O-CB 3.1Å; F104-R107 PolarHBondContact O-N 2.94Å; F104-C108 PolarHBondContact O-N 2.64Å; F104-C108 VanDerWaalsContact O-N 3.11Å; F104-V131 HydrophobicContact CB-CG2 4.36Å; F104-V131 HydrophobicContact CD2-CG2 4.39Å; F104-R132 HydrophobicContact CE2-CG 4.26Å
105P97.9Very high98.2Very high88 Ų8842.9 Ų42.957%0.57122%0.217SC*.Hα-helixtrans-53.9-45.3-169.9-29.836.3000114.3R107 C108 S109P105-R107 VanDerWaalsContact C-N 3.27Å; P105-R107 PolarHBondContact O-N 3.36Å; P105-C108 PolarHBondContact O-N 3.46Å; P105-S109 PolarHBondContact O-N 2.97Å; P105-S109 PolarHBondContact O-OG 3.44Å
106S98.1Very high98.2Very high61 Ų6138.3 Ų38.343%0.42720%0.202SC..Hα-helixtrans-64.5-30.1177.5-55.60000112.9F104 S109 G110 E168F104-S106 PolarHBondContact O-N 3.28Å; S106-S109 PolarHBondContact O-N 3.47Å; S106-G110 PolarHBondContact O-N 3.43Å; S106-E168 WeakPolarHBondContact O-CG 3.24Å
107R98.6Very high98.1Very high31 Ų3142.6 Ų42.612%0.11722%0.222CC..Hα-helixtrans-70.9-41.8175.5-59-174.9-180-167.1-1.7111.1F104 P105 S109 G110 V111 V131 D133 W164 G169F104-R107 HydrophobicContact CB-CB 3.86Å; F104-R107 VanDerWaalsContact CB-CD 3.48Å; F104-R107 HydrophobicContact CB-CG 3.66Å; F104-R107 HydrophobicContact CG-CG 4.44Å; F104-R107 WeakPolarHBondContact O-CA 3.47Å; F104-R107 WeakPolarHBondContact O-CB 3.1Å; F104-R107 PolarHBondContact O-N 2.94Å; P105-R107 VanDerWaalsContact C-N 3.27Å; P105-R107 PolarHBondContact O-N 3.36Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-G110 PolarHBondContact O-N 3.32Å; R107-V111 PolarHBondContact O-N 2.79Å; R107-V111 VanDerWaalsContact O-N 3.09Å; R107-V131 HydrophobicContact CB-CB 3.91Å; R107-V131 HydrophobicContact CB-CG1 4.29Å; R107-V131 HydrophobicContact CB-CG2 4.49Å; R107-V131 WeakPolarHBondContact CD-O 3.2Å; R107-V131 PolarHBondContact NH1-O 3.13Å; R107-D133 IonicContact CZ-OD1 3.31Å; R107-D133 VanDerWaalsContact CZ-OD1 3.23Å; R107-D133 IonicContact NH1-OD1 3.23Å; R107-D133 PolarHBondContact NH1-OD1 3.04Å; R107-D133 IonicContact NH2-OD1 3.87Å; R107-D133 PolarHBondContact NH2-OD1 2.72Å; R107-W164 HydrophobicContact CB-CB 4.14Å; R107-W164 HydrophobicContact CB-CD2 3.7Å; R107-W164 HydrophobicContact CB-CE3 4.1Å; R107-W164 HydrophobicContact CB-CG 3.69Å; R107-W164 HydrophobicContact CG-CD2 3.77Å; R107-W164 HydrophobicContact CG-CE3 4.49Å; R107-W164 HydrophobicContact CG-CG 3.8Å; R107-W164 HydrophobicContact CG-CZ2 4.32Å; R107-W164 VanDerWaalsContact CZ-CZ2 3.46Å; R107-W164 VanDerWaalsContact O-CB 3.25Å; R107-W164 WeakPolarHBondContact O-CB 3.42Å; R107-G169 WeakPolarHBondContact CG-O 3.44Å
108C98.6Very high98.1Very high0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-59.9-45.5171.4-700000111Y89 C102 F104 P105 G110 V111 E112Y89-C108 WeakPolarHBondContact OH-CB 3.37Å; C102-C108 HydrophobicContact CB-CB 4.02Å; C102-C108 WeakPolarHBondContact CB-SG 3.36Å; C102-C108 WeakPolarHBondContact SG-CB 3.32Å; C102-C108 CovalentContact SG-SG 2.03Å; C102-C108 PolarHBondContact SG-SG 3.15Å; F104-C108 PolarHBondContact O-N 2.64Å; F104-C108 VanDerWaalsContact O-N 3.11Å; P105-C108 PolarHBondContact O-N 3.46Å; C108-G110 VanDerWaalsContact C-N 3.33Å; C108-G110 PolarHBondContact O-N 2.9Å; C108-V111 PolarHBondContact O-N 3.43Å; C108-V111 VanDerWaalsContact O-N 3.12Å; C108-E112 WeakPolarHBondContact O-CB 3.29Å; C108-E112 VanDerWaalsContact O-CD 3.29Å; C108-E112 WeakPolarHBondContact O-CG 3.18Å; C108-E112 PolarHBondContact O-N 2.99Å
109S98.5Very high98.1Very high19 Ų1940.8 Ų40.813%0.13322%0.216CC..Hα-helixtrans-59.8-39.2176-65.10000113.4P105 S106 R107 V111 E112 H113 E168P105-S109 PolarHBondContact O-N 2.97Å; P105-S109 PolarHBondContact O-OG 3.44Å; S106-S109 PolarHBondContact O-N 3.47Å; R107-S109 VanDerWaalsContact C-N 3.35Å; S109-V111 PolarHBondContact O-N 3.13Å; S109-E112 WeakPolarHBondContact CA-OE2 3.43Å; S109-E112 PolarHBondContact O-N 3.42Å; S109-H113 WeakPolarHBondContact O-CB 3.29Å; S109-H113 PolarHBondContact O-N 2.82Å; S109-E168 VanDerWaalsContact CB-OE1 3.25Å; S109-E168 WeakPolarHBondContact CB-OE1 3.36Å
110G98.5Very high98.1Very high0 Ų041.9 Ų41.90%024%0.236CC..Hα-helixtrans-64.3-36.517400000113.8S106 R107 C108 F114S106-G110 PolarHBondContact O-N 3.43Å; R107-G110 PolarHBondContact O-N 3.32Å; C108-G110 VanDerWaalsContact C-N 3.33Å; C108-G110 PolarHBondContact O-N 2.9Å; G110-F114 WeakPolarHBondContact O-CD2 3.24Å
111V98.9Very high98.2Very high0 Ų043.5 Ų43.50%024%0.235CC..Hα-helixtrans-69.5-48172.4169.10000111R107 C108 S109 H113 F114 I115 I129 V131 Y161 W164 W359R107-V111 PolarHBondContact O-N 2.79Å; R107-V111 VanDerWaalsContact O-N 3.09Å; C108-V111 PolarHBondContact O-N 3.43Å; C108-V111 VanDerWaalsContact O-N 3.12Å; S109-V111 PolarHBondContact O-N 3.13Å; V111-H113 VanDerWaalsContact C-N 3.25Å; V111-H113 PolarHBondContact O-N 2.9Å; V111-F114 PolarHBondContact O-N 3.1Å; V111-I115 HydrophobicContact CG1-CD1 3.66Å; V111-I115 HydrophobicContact CG1-CG1 4.32Å; V111-I115 PolarHBondContact O-N 3.35Å; V111-I129 HydrophobicContact CG1-CD1 3.73Å; V111-I129 HydrophobicContact CG1-CG2 4.34Å; V111-I129 HydrophobicContact CG2-CG2 4.4Å; V111-V131 HydrophobicContact CG2-CG1 4.29Å; V111-Y161 HydrophobicContact CG2-CE2 3.76Å; V111-W164 HydrophobicContact CG2-CB 4.31Å; V111-W359 HydrophobicContact CG1-CH2 3.89Å; V111-W359 HydrophobicContact CG1-CZ2 4.1Å; V111-W359 HydrophobicContact CG2-CZ2 4.34Å
112E98.8Very high98.3Very high15 Ų1538.6 Ų38.67%0.0721%0.208CC..Hα-helixtrans-58.7-36.9-178.6-71.2157.4-177.200111.7Y89 L96 R98 C108 S109 F114 I115 L116 I383Y89-E112 HydrophobicContact CE1-CG 3.81Å; Y89-E112 PolarHBondContact OH-OE1 3.43Å; L96-E112 HydrophobicContact CD2-CB 4.45Å; L96-E112 HydrophobicContact CD2-CG 4.19Å; R98-E112 WeakPolarHBondContact CD-OE1 3.36Å; R98-E112 IonicContact CZ-OE1 3.6Å; R98-E112 IonicContact NE-OE1 3.83Å; R98-E112 IonicContact NH1-OE1 2.64Å; R98-E112 PolarHBondContact NH1-OE1 3.24Å; C108-E112 WeakPolarHBondContact O-CB 3.29Å; C108-E112 VanDerWaalsContact O-CD 3.29Å; C108-E112 WeakPolarHBondContact O-CG 3.18Å; C108-E112 PolarHBondContact O-N 2.99Å; S109-E112 WeakPolarHBondContact CA-OE2 3.43Å; S109-E112 PolarHBondContact O-N 3.42Å; E112-F114 PolarHBondContact O-N 2.91Å; E112-I115 PolarHBondContact O-N 3.33Å; E112-L116 VanDerWaalsContact O-CB 3.29Å; E112-L116 WeakPolarHBondContact O-CB 3.41Å; E112-L116 WeakPolarHBondContact O-CD1 3.49Å; E112-L116 WeakPolarHBondContact O-CG 3.29Å; E112-L116 PolarHBondContact O-N 3Å; E112-I383 HydrophobicContact CB-CG2 4.17Å; E112-I383 HydrophobicContact CG-CG2 3.96Å
113H98.6Very high98.3Very high44 Ų4440.3 Ų40.320%0.20422%0.22CC..Hα-helixtrans-51-56.1174.9172.577000112.1S109 V111 L116 E117 W167S109-H113 WeakPolarHBondContact O-CB 3.29Å; S109-H113 PolarHBondContact O-N 2.82Å; V111-H113 VanDerWaalsContact C-N 3.25Å; V111-H113 PolarHBondContact O-N 2.9Å; H113-L116 PolarHBondContact O-N 3.38Å; H113-E117 IonicContact NE2-OE2 3.42Å; H113-E117 PolarHBondContact O-N 3.05Å; H113-W167 HydrophobicContact CB-CB 4.42Å; H113-W167 HydrophobicContact CB-CG 3.98Å; H113-W167 AromaticContact CD2-CD1 3.96Å; H113-W167 AromaticContact CD2-CD2 3.56Å; H113-W167 AromaticContact CD2-CE3 3.93Å; H113-W167 AromaticContact CD2-CG 3.49Å; H113-W167 VanDerWaalsContact CD2-CG 3.49Å; H113-W167 AromaticContact CE1-CD2 3.54Å; H113-W167 AromaticContact CE1-CE2 3.44Å; H113-W167 VanDerWaalsContact CE1-CE2 3.44Å; H113-W167 AromaticContact CE1-CE3 3.71Å; H113-W167 AromaticContact CE1-CH2 3.69Å; H113-W167 AromaticContact CE1-CZ2 3.54Å; H113-W167 AromaticContact CE1-CZ3 3.78Å; H113-W167 AromaticContact CG-CD1 3.53Å; H113-W167 AromaticContact CG-CD2 3.74Å; H113-W167 AromaticContact CG-CE2 3.83Å; H113-W167 AromaticContact CG-CG 3.56Å; H113-W167 AromaticContact CG-NE1 3.71Å; H113-W167 AromaticContact ND1-CD1 3.87Å; H113-W167 AromaticContact ND1-CD2 3.73Å; H113-W167 AromaticContact ND1-CE2 3.42Å; H113-W167 AromaticContact ND1-CZ2 3.8Å; H113-W167 AromaticContact ND1-NE1 3.54Å; H113-W167 AromaticContact NE2-CD2 3.4Å; H113-W167 AromaticContact NE2-CE2 3.83Å; H113-W167 AromaticContact NE2-CE3 3.37Å; H113-W167 AromaticContact NE2-CG 3.89Å; H113-W167 AromaticContact NE2-CZ3 3.74Å
114F98.8Very high98.5Very high0 Ų038.6 Ų38.60%021%0.213CC..Hα-helixtrans-69.3-39.8-177.7-64.7-71000112.7G110 V111 E112 L116 E117 V118 F166 W167 M352 I355 W359G110-F114 WeakPolarHBondContact O-CD2 3.24Å; V111-F114 PolarHBondContact O-N 3.1Å; E112-F114 PolarHBondContact O-N 2.91Å; F114-L116 VanDerWaalsContact C-N 3.34Å; F114-L116 PolarHBondContact O-N 3.04Å; F114-E117 PolarHBondContact O-N 3.48Å; F114-V118 PolarHBondContact O-N 3.15Å; F114-F166 HydrophobicContact CE2-CB 3.91Å; F114-F166 HydrophobicContact CZ-CB 3.59Å; F114-W167 HydrophobicContact CE2-CB 3.86Å; F114-W167 HydrophobicContact CZ-CB 4Å; F114-M352 HydrophobicContact CE1-CE 3.44Å; F114-M352 VanDerWaalsContact CE1-CE 3.44Å; F114-M352 HydrophobicContact CE1-SD 4.02Å; F114-M352 HydrophobicContact CZ-CE 3.44Å; F114-M352 VanDerWaalsContact CZ-CE 3.44Å; F114-M352 HydrophobicContact CZ-SD 4.11Å; F114-I355 HydrophobicContact CD1-CG2 3.91Å; F114-I355 HydrophobicContact CD2-CG2 4.45Å; F114-I355 HydrophobicContact CE1-CB 4.06Å; F114-I355 HydrophobicContact CE1-CG2 3.47Å; F114-I355 VanDerWaalsContact CE1-CG2 3.47Å; F114-I355 HydrophobicContact CE2-CG2 4.1Å; F114-I355 HydrophobicContact CG-CG2 4.37Å; F114-I355 HydrophobicContact CZ-CB 4.47Å; F114-I355 HydrophobicContact CZ-CG2 3.59Å; F114-W359 HydrophobicContact CB-CB 4.5Å; F114-W359 VanDerWaalsContact CB-CD1 3.41Å; F114-W359 HydrophobicContact CB-CG 3.94Å; F114-W359 AromaticContact CD2-NE1 3.72Å; F114-W359 AromaticContact CG-CD1 3.69Å; F114-W359 AromaticContact CG-NE1 3.78Å
115I98.8Very high98.6Very high0 Ų035.1 Ų35.10%020%0.197CC..Hα-helixtrans-61.4-47178.2-63.6177.3000109.9I91 L96 V111 E112 E117 V118 I119 M127 I129 W359 L363I91-I115 HydrophobicContact CD1-CG2 3.95Å; L96-I115 HydrophobicContact CD1-CG2 3.95Å; L96-I115 HydrophobicContact CD2-CB 4.27Å; L96-I115 HydrophobicContact CD2-CG2 3.96Å; V111-I115 HydrophobicContact CG1-CD1 3.66Å; V111-I115 HydrophobicContact CG1-CG1 4.32Å; V111-I115 PolarHBondContact O-N 3.35Å; E112-I115 PolarHBondContact O-N 3.33Å; I115-E117 VanDerWaalsContact C-N 3.27Å; I115-E117 PolarHBondContact O-N 3.3Å; I115-V118 PolarHBondContact O-N 3.36Å; I115-I119 WeakPolarHBondContact O-CA 3.35Å; I115-I119 VanDerWaalsContact O-CB 3.3Å; I115-I119 WeakPolarHBondContact O-CB 3.4Å; I115-I119 PolarHBondContact O-N 3.29Å; I115-M127 HydrophobicContact CD1-CE 3.79Å; I115-I129 HydrophobicContact CD1-CD1 3.89Å; I115-W359 HydrophobicContact CG1-CE3 4.46Å; I115-W359 HydrophobicContact CG1-CZ3 4.5Å; I115-L363 HydrophobicContact CG1-CD1 4.1Å
116L98.7Very high98.7Very high38 Ų3831.3 Ų31.320%0.19917%0.172CC..Hα-helixtrans-64.3-29.6-179.4-71.2170.9000113L96 E112 H113 F114 V118 I119 I383 P385L96-L116 HydrophobicContact CB-CD2 4Å; L96-L116 HydrophobicContact CD2-CD2 4.23Å; L96-L116 HydrophobicContact CD2-CG 4.24Å; E112-L116 VanDerWaalsContact O-CB 3.29Å; E112-L116 WeakPolarHBondContact O-CB 3.41Å; E112-L116 WeakPolarHBondContact O-CD1 3.49Å; E112-L116 WeakPolarHBondContact O-CG 3.29Å; E112-L116 PolarHBondContact O-N 3Å; H113-L116 PolarHBondContact O-N 3.38Å; F114-L116 VanDerWaalsContact C-N 3.34Å; F114-L116 PolarHBondContact O-N 3.04Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 3.28Å; L116-I119 WeakPolarHBondContact O-CG2 3.09Å; L116-I383 HydrophobicContact CD1-CG2 4.17Å; L116-P385 HydrophobicContact CD1-CG 4.27Å
117E98.4Very high98.7Very high91 Ų9128.4 Ų28.443%0.42515%0.151SC..Hα-helixtrans-66.2-32.8177.1-168.9169.7128.400112.7H113 F114 I115 T356H113-E117 IonicContact NE2-OE2 3.42Å; H113-E117 PolarHBondContact O-N 3.05Å; F114-E117 PolarHBondContact O-N 3.48Å; I115-E117 VanDerWaalsContact C-N 3.27Å; I115-E117 PolarHBondContact O-N 3.3Å; E117-T356 HydrophobicContact CG-CG2 4.07Å; E117-T356 WeakPolarHBondContact OE1-CG2 3.32Å; E117-T356 PolarHBondContact OE1-OG1 3.42Å
118V98.6Very high98.7Very high0 Ų026.9 Ų26.90%015%0.146CC..Hα-helixtrans-107.9-7.5-175.8-52.50000113.5F114 I115 L116 G120 R121 L122 T356 E360F114-V118 PolarHBondContact O-N 3.15Å; I115-V118 PolarHBondContact O-N 3.36Å; L116-V118 VanDerWaalsContact C-N 3.31Å; L116-V118 PolarHBondContact O-N 3.28Å; V118-G120 PolarHBondContact O-N 2.97Å; V118-R121 PolarHBondContact O-N 3.45Å; V118-L122 HydrophobicContact CG2-CD1 3.84Å; V118-L122 HydrophobicContact CG2-CG 4.12Å; V118-T356 HydrophobicContact CG1-CG2 3.28Å; V118-E360 HydrophobicContact CB-CB 4.02Å; V118-E360 HydrophobicContact CB-CG 4.27Å; V118-E360 HydrophobicContact CG1-CB 4.01Å; V118-E360 HydrophobicContact CG2-CB 4.24Å
119I98.6Very high98.7Very high16 Ų1626.9 Ų26.98%0.08215%0.146CC..G310 helixtrans-58.3-26.6-169.4-159.7165.6000114.6I91 N94 L96 I115 L116 R121 L122I91-I119 HydrophobicContact CD1-CG1 4.43Å; I91-I119 HydrophobicContact CG1-CD1 4.25Å; I91-I119 HydrophobicContact CG2-CD1 4.13Å; I91-I119 HydrophobicContact CG2-CG1 3.92Å; N94-I119 WeakPolarHBondContact CB-O 3.48Å; N94-I119 PolarHBondContact ND2-O 2.95Å; L96-I119 HydrophobicContact CB-CD1 3.63Å; L96-I119 VanDerWaalsContact N-CD1 3.28Å; I115-I119 WeakPolarHBondContact O-CA 3.35Å; I115-I119 VanDerWaalsContact O-CB 3.3Å; I115-I119 WeakPolarHBondContact O-CB 3.4Å; I115-I119 PolarHBondContact O-N 3.29Å; L116-I119 WeakPolarHBondContact O-CG2 3.09Å; I119-R121 PolarHBondContact O-N 3Å; I119-L122 PolarHBondContact O-N 3.39Å
120G98.4Very high98.7Very high57 Ų5726 Ų2659%0.58814%0.14SC*.G310 helixtrans-64.2-17.8175.900000114.1N94 V118N94-G120 PolarHBondContact ND2-O 2.72Å; V118-G120 PolarHBondContact O-N 2.97Å
121R98.6Very high98.8Very high139 Ų13926.2 Ų26.253%0.52514%0.141SC..G310 helixtrans-109.6-5.5178.8-63.2-179.7-64.6-77.30.2113.1V118 I119 E360V118-R121 PolarHBondContact O-N 3.45Å; I119-R121 PolarHBondContact O-N 3Å; R121-E360 VanDerWaalsContact CD-OE1 3.31Å; R121-E360 WeakPolarHBondContact CD-OE1 3.06Å; R121-E360 IonicContact CZ-OE1 3Å; R121-E360 IonicContact CZ-OE2 3.93Å; R121-E360 VanDerWaalsContact CZ-OE2 3.31Å; R121-E360 IonicContact NE-OE1 2.69Å; R121-E360 PolarHBondContact NE-OE1 3.32Å; R121-E360 IonicContact NE-OE2 3.32Å; R121-E360 PolarHBondContact NE-OE2 3.19Å; R121-E360 IonicContact NH2-OE2 3.2Å; R121-E360 PolarHBondContact NH2-OE2 3.07Å
122L98.8Very high98.7Very high3 Ų331 Ų312%0.01616%0.159CC..PPolyproline II helixtrans-86.6139-179.1-67.1-176.7000112.1I91 N94 V118 I119 M125 L363 S364I91-L122 HydrophobicContact CD1-CB 4.45Å; I91-L122 HydrophobicContact CD1-CD1 3.66Å; N94-L122 PolarHBondContact ND2-O 3.37Å; V118-L122 HydrophobicContact CG2-CD1 3.84Å; V118-L122 HydrophobicContact CG2-CG 4.12Å; I119-L122 PolarHBondContact O-N 3.39Å; L122-M125 HydrophobicContact CB-CE 4.14Å; L122-M125 HydrophobicContact CD2-CE 4.4Å; L122-L363 HydrophobicContact CD1-CB 4.1Å; L122-L363 HydrophobicContact CD1-CD1 3.68Å; L122-L363 HydrophobicContact CD2-CB 3.88Å; L122-S364 WeakPolarHBondContact CD2-OG 3.17Å
123P98.7Very high98.7Very high56 Ų5633.1 Ų33.136%0.36417%0.171SC..PPolyproline II helixtrans-74.1172.5170.932.1-34.9000111.9M125 S367P123-M125 HydrophobicContact CG-CE 3.9Å; P123-M125 VanDerWaalsContact O-CE 3.29Å; P123-M125 WeakPolarHBondContact O-CE 3.46Å; P123-M125 PolarHBondContact O-N 3.06Å; P123-S367 WeakPolarHBondContact CG-OG 3.48Å
124D98.9Very high98.7Very high79 Ų7935.7 Ų35.742%0.42218%0.179SC..SBendtrans-65.4130.1175.2-73.36.5000110.8I91 I92 K93I91-D124 CarbonylContact O-C 3.55Å; I91-D124 WeakPolarHBondContact O-CA 3.31Å; I92-D124 WeakPolarHBondContact CA-OD1 3.39Å; K93-D124 PolarHBondContact N-OD1 3.41Å
125M98.9Very high98.7Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-159.7169.3-179.869.6-174.383.700112Q90 I91 L122 P123 L363 Y366 L370Q90-M125 CarbonylContact C-O 3.59Å; Q90-M125 WeakPolarHBondContact CA-O 3.4Å; I91-M125 HydrophobicContact CB-CG 4.17Å; I91-M125 HydrophobicContact CD1-CG 4.15Å; I91-M125 HydrophobicContact CD1-SD 4.36Å; I91-M125 HydrophobicContact CG1-CG 4.41Å; I91-M125 PolarHBondContact N-O 3.43Å; I91-M125 PolarHBondContact O-N 3.05Å; L122-M125 HydrophobicContact CB-CE 4.14Å; L122-M125 HydrophobicContact CD2-CE 4.4Å; P123-M125 HydrophobicContact CG-CE 3.9Å; P123-M125 VanDerWaalsContact O-CE 3.29Å; P123-M125 WeakPolarHBondContact O-CE 3.46Å; P123-M125 PolarHBondContact O-N 3.06Å; M125-L363 HydrophobicContact CE-CB 4.1Å; M125-L363 WeakPolarHBondContact CE-O 3.39Å; M125-L363 HydrophobicContact SD-CB 3.9Å; M125-L363 HydrophobicContact SD-CD2 4.2Å; M125-Y366 HydrophobicContact SD-CD1 4.27Å; M125-L370 HydrophobicContact CB-CD1 3.64Å
126E98.9Very high98.7Very high8 Ų838.3 Ų38.34%0.03719%0.192CC..EExtended strand (participates in β ladder)trans-140.3149166.764.8-173.4129.700110.5M77 H88 Y89 Q90 Y366 Y372 V374M77-E126 HydrophobicContact CE-CG 4.32Å; M77-E126 VanDerWaalsContact CE-O 3.29Å; M77-E126 WeakPolarHBondContact CE-O 3.35Å; M77-E126 HydrophobicContact CG-CG 3.88Å; M77-E126 HydrophobicContact SD-CG 4.42Å; H88-E126 IonicContact CE1-OE2 2.75Å; H88-E126 PolarHBondContact CE1-OE2 2.75Å; H88-E126 IonicContact NE2-OE2 3.71Å; H88-E126 PolarHBondContact NE2-OE2 2.84Å; Y89-E126 VanDerWaalsContact O-CA 3.3Å; Y89-E126 WeakPolarHBondContact O-CA 3.09Å; Y89-E126 WeakPolarHBondContact O-CB 3.23Å; Q90-E126 HydrophobicContact CB-CB 4.24Å; Q90-E126 HydrophobicContact CG-CB 3.81Å; Q90-E126 PolarHBondContact NE2-OE2 2.97Å; E126-Y366 WeakPolarHBondContact O-CE1 3.36Å; E126-Y366 PolarHBondContact O-OH 2.85Å; E126-Y372 VanDerWaalsContact CG-OH 3.32Å; E126-Y372 WeakPolarHBondContact CG-OH 3.45Å; E126-Y372 WeakPolarHBondContact OE1-CE2 3.42Å; E126-Y372 PolarHBondContact OE1-OH 3.4Å; E126-V374 HydrophobicContact CB-CG1 3.84Å; E126-V374 HydrophobicContact CB-CG2 4.21Å; E126-V374 HydrophobicContact CG-CG1 3.99Å; E126-V374 HydrophobicContact CG-CG2 3.86Å
127M98.9Very high98.7Very high0 Ų036.5 Ų36.50%018%0.183CC..EExtended strand (participates in β ladder)trans-154155.4-173.366.3-69.2-16600111.8H88 Y89 I91 I115 I129 F148 Y366H88-M127 PolarHBondContact CD2-O 3.42Å; Y89-M127 HydrophobicContact CG-CE 4.26Å; Y89-M127 PolarHBondContact N-O 3.31Å; Y89-M127 PolarHBondContact O-N 3.38Å; I91-M127 HydrophobicContact CD1-CE 4.32Å; I115-M127 HydrophobicContact CD1-CE 3.79Å; M127-I129 HydrophobicContact CE-CD1 3.93Å; M127-I129 HydrophobicContact CG-CD1 4.07Å; M127-I129 HydrophobicContact CG-CG1 3.87Å; M127-F148 HydrophobicContact CB-CD2 4.06Å; M127-F148 HydrophobicContact CB-CE2 3.73Å; M127-F148 HydrophobicContact CG-CE2 4.44Å; M127-Y366 HydrophobicContact CB-CE1 4Å
128V98.9Very high98.7Very high0 Ų033 Ų330%017%0.168CC..EExtended strand (participates in β ladder)trans-108.2113.3173178.70000109.1M77 V80 V81 G86 H88 F148M77-V128 HydrophobicContact SD-CG2 4.06Å; V80-V128 HydrophobicContact CB-CG2 4.17Å; V80-V128 HydrophobicContact CG1-CB 3.78Å; V80-V128 HydrophobicContact CG1-CG1 4.04Å; V80-V128 HydrophobicContact CG1-CG2 3.69Å; V81-V128 HydrophobicContact CG2-CG2 3.66Å; G86-V128 VanDerWaalsContact CA-CG1 3.48Å; H88-V128 HydrophobicContact CB-CG2 4.44Å; V128-F148 PolarHBondContact O-N 3.24Å
129I98.9Very high98.7Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-103.6109.4-179.2-54.8-179.1000109.6T87 Y89 V111 I115 M127 V131 F148 Y161 W359T87-I129 PolarHBondContact N-O 3.48Å; T87-I129 PolarHBondContact O-N 3.47Å; Y89-I129 HydrophobicContact CD2-CB 4.13Å; Y89-I129 HydrophobicContact CD2-CD1 3.89Å; Y89-I129 HydrophobicContact CD2-CG1 4Å; Y89-I129 HydrophobicContact CE2-CB 4.07Å; Y89-I129 HydrophobicContact CE2-CD1 4.17Å; Y89-I129 HydrophobicContact CE2-CG1 4.36Å; V111-I129 HydrophobicContact CG1-CD1 3.73Å; V111-I129 HydrophobicContact CG1-CG2 4.34Å; V111-I129 HydrophobicContact CG2-CG2 4.4Å; I115-I129 HydrophobicContact CD1-CD1 3.89Å; M127-I129 HydrophobicContact CE-CD1 3.93Å; M127-I129 HydrophobicContact CG-CD1 4.07Å; M127-I129 HydrophobicContact CG-CG1 3.87Å; I129-V131 HydrophobicContact CG2-CG1 4.32Å; I129-V131 PolarHBondContact O-N 3.25Å; I129-F148 HydrophobicContact CB-CB 4.46Å; I129-F148 HydrophobicContact CG1-CB 4.18Å; I129-F148 HydrophobicContact CG2-CB 4.39Å; I129-Y161 HydrophobicContact CG2-CD1 4.35Å; I129-Y161 HydrophobicContact CG2-CE1 3.67Å; I129-Y161 HydrophobicContact CG2-CE2 4.44Å; I129-W359 HydrophobicContact CD1-CH2 4.31Å; I129-W359 HydrophobicContact CD1-CZ3 4.43Å
130N98.9Very high98.7Very high1 Ų145.7 Ų45.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-75.3116.8171.3173.535.1000110.3L85 R132 Y134 Q136 V147 F148 S149 Y161L85-N130 WeakPolarHBondContact O-CB 3.5Å; N130-R132 WeakPolarHBondContact OD1-CB 3.48Å; N130-R132 VanDerWaalsContact OD1-CG 3.29Å; N130-R132 WeakPolarHBondContact OD1-CG 3.42Å; N130-R132 PolarHBondContact OD1-N 2.71Å; N130-Y134 PolarHBondContact ND2-O 2.93Å; N130-Q136 HydrophobicContact CB-CG 4.22Å; N130-V147 HydrophobicContact CB-CG1 3.8Å; N130-F148 WeakPolarHBondContact CA-O 3.28Å; N130-F148 VanDerWaalsContact CB-O 3.31Å; N130-F148 WeakPolarHBondContact CB-O 3.4Å; N130-F148 PolarHBondContact N-O 2.9Å; N130-S149 WeakPolarHBondContact CB-OG 3.45Å; N130-S149 PolarHBondContact ND2-OG 2.69Å; N130-Y161 PolarHBondContact O-OH 3.17Å
131V98.8Very high98.6Very high4 Ų444 Ų442%0.02419%0.194CC..  trans-101.311.5174.7-63.50000113.2F104 R107 V111 I129 W164F104-V131 HydrophobicContact CB-CG2 4.36Å; F104-V131 HydrophobicContact CD2-CG2 4.39Å; R107-V131 HydrophobicContact CB-CB 3.91Å; R107-V131 HydrophobicContact CB-CG1 4.29Å; R107-V131 HydrophobicContact CB-CG2 4.49Å; R107-V131 WeakPolarHBondContact CD-O 3.2Å; R107-V131 PolarHBondContact NH1-O 3.13Å; V111-V131 HydrophobicContact CG2-CG1 4.29Å; I129-V131 HydrophobicContact CG2-CG1 4.32Å; I129-V131 PolarHBondContact O-N 3.25Å; V131-W164 HydrophobicContact CB-CE3 4.21Å; V131-W164 HydrophobicContact CB-CZ3 4.11Å; V131-W164 HydrophobicContact CG1-CE3 4.25Å; V131-W164 HydrophobicContact CG1-CZ3 4.47Å; V131-W164 WeakPolarHBondContact O-CH2 3.39Å
132R98.6Very high98.4Very high100 Ų10044.7 Ų44.738%0.37720%0.203SC..SBendtrans-80.6169.9170.5-55.7172.5177.1-83.4-1.8110.1M103 F104 N130M103-R132 VanDerWaalsContact SD-CZ 3.54Å; M103-R132 PolarHBondContact SD-NH1 3.32Å; M103-R132 PolarHBondContact SD-NH2 3.44Å; M103-R132 VanDerWaalsContact SD-NH2 3.44Å; F104-R132 HydrophobicContact CE2-CG 4.26Å; N130-R132 WeakPolarHBondContact OD1-CB 3.48Å; N130-R132 VanDerWaalsContact OD1-CG 3.29Å; N130-R132 WeakPolarHBondContact OD1-CG 3.42Å; N130-R132 PolarHBondContact OD1-N 2.71Å
133D98.3Very high98.3Very high60 Ų6048.7 Ų48.732%0.32123%0.229SC..SBendtrans-73.2-30.9-178.7-70.49.1000113.4R107 F150 V274 A275R107-D133 IonicContact CZ-OD1 3.31Å; R107-D133 VanDerWaalsContact CZ-OD1 3.23Å; R107-D133 IonicContact NH1-OD1 3.23Å; R107-D133 PolarHBondContact NH1-OD1 3.04Å; R107-D133 IonicContact NH2-OD1 3.87Å; R107-D133 PolarHBondContact NH2-OD1 2.72Å; D133-F150 VanDerWaalsContact O-CE1 3.31Å; D133-F150 WeakPolarHBondContact O-CE1 3.43Å; D133-V274 HydrophobicContact CB-CB 4.03Å; D133-V274 HydrophobicContact CB-CG1 3.65Å; D133-A275 WeakPolarHBondContact O-CB 3.24Å
134Y98.7Very high98.3Very high97 Ų9746.6 Ų46.638%0.3822%0.217SC..SBendtrans-107.4142.5-169.6-148.3-100.4000111.8N130 Q136 Y156 V274 W297N130-Y134 PolarHBondContact ND2-O 2.93Å; Y134-Q136 PolarHBondContact O-NE2 2.94Å; Y134-Y156 VanDerWaalsContact CE1-OH 3.31Å; Y134-Y156 WeakPolarHBondContact CE1-OH 3.48Å; Y134-V274 HydrophobicContact CD2-CG1 3.92Å; Y134-W297 AromaticContact CD2-CH2 3.7Å; Y134-W297 HydrophobicContact CD2-CH2 3.7Å; Y134-W297 HydrophobicContact CD2-CZ2 4.35Å; Y134-W297 HydrophobicContact CE1-CH2 4.36Å; Y134-W297 AromaticContact CE2-CH2 3.22Å; Y134-W297 HydrophobicContact CE2-CH2 3.22Å; Y134-W297 AromaticContact CE2-CZ2 3.5Å; Y134-W297 HydrophobicContact CE2-CZ2 3.5Å; Y134-W297 VanDerWaalsContact CE2-CZ2 3.5Å; Y134-W297 HydrophobicContact CE2-CZ3 4.38Å; Y134-W297 HydrophobicContact CG-CH2 4.45Å; Y134-W297 AromaticContact CZ-CH2 3.59Å; Y134-W297 AromaticContact CZ-CZ2 3.84Å
135P98.8Very high98.3Very high5 Ų543.3 Ų43.33%0.03220%0.199CC..  trans-64.8164175.929-37.9000112.4K152 Y156 D158 W297P135-K152 HydrophobicContact CB-CB 4.24Å; P135-K152 HydrophobicContact CG-CB 4.47Å; P135-Y156 HydrophobicContact CB-CD1 3.56Å; P135-Y156 HydrophobicContact CB-CD2 4.43Å; P135-Y156 HydrophobicContact CB-CE1 4.02Å; P135-Y156 HydrophobicContact CB-CG 3.81Å; P135-Y156 HydrophobicContact CG-CD1 3.57Å; P135-Y156 HydrophobicContact CG-CD2 3.84Å; P135-Y156 HydrophobicContact CG-CE1 3.61Å; P135-Y156 HydrophobicContact CG-CE2 3.89Å; P135-Y156 HydrophobicContact CG-CG 3.71Å; P135-D158 HydrophobicContact CB-CB 4.27Å; P135-D158 WeakPolarHBondContact CB-OD2 3.39Å; P135-W297 HydrophobicContact CG-CH2 4.13Å; P135-W297 HydrophobicContact CG-CZ3 4.07Å
136Q98.8Very high98.3Very high50 Ų5043.3 Ų43.323%0.23420%0.199CC..  trans-123.1-19.7-166.2-59.6-63.2-55.100114.6L85 N130 Y134 P138 V147 D158L85-Q136 HydrophobicContact CB-CB 4.23Å; L85-Q136 HydrophobicContact CB-CG 4.4Å; L85-Q136 WeakPolarHBondContact O-CG 3.26Å; N130-Q136 HydrophobicContact CB-CG 4.22Å; Y134-Q136 PolarHBondContact O-NE2 2.94Å; Q136-P138 WeakPolarHBondContact O-CD 3.31Å; Q136-V147 HydrophobicContact CB-CG1 4.2Å; Q136-V147 HydrophobicContact CG-CG1 4.3Å; Q136-D158 PolarHBondContact N-OD1 2.88Å; Q136-D158 PolarHBondContact N-OD2 3.04Å
137V98.8Very high98.3Very high0 Ų042.9 Ų42.90%020%0.197CC..  trans-118.280.5-170.6-168.80000109M141 I145 V147 Y156 H157 D158V137-M141 HydrophobicContact CG1-SD 4.24Å; V137-I145 HydrophobicContact CG1-CG1 3.96Å; V137-I145 HydrophobicContact CG2-CG1 4.03Å; V137-V147 HydrophobicContact CG2-CB 3.68Å; V137-V147 HydrophobicContact CG2-CG2 3.53Å; V137-Y156 CarbonylContact O-C 3.56Å; V137-Y156 VanDerWaalsContact O-CA 3.28Å; V137-Y156 WeakPolarHBondContact O-CA 3.49Å; V137-H157 HydrophobicContact CB-CB 4.42Å; V137-H157 HydrophobicContact CG1-CB 3.94Å; V137-H157 PolarHBondContact O-N 2.56Å; V137-D158 WeakPolarHBondContact CA-OD2 3.45Å; V137-D158 PolarHBondContact N-OD2 3.12Å
138P98.6Very high98.3Very high17 Ų1742.9 Ų42.911%0.1120%0.197CC..BIsolated β-bridgetrans-64.2149.8176.129.1-36.6000111.2Q136 W140 M141 E155 Y156Q136-P138 WeakPolarHBondContact O-CD 3.31Å; P138-W140 HydrophobicContact CB-CD2 4.42Å; P138-W140 HydrophobicContact CB-CG 4.34Å; P138-W140 HydrophobicContact CB-CZ2 4.34Å; P138-W140 VanDerWaalsContact CB-NE1 3.29Å; P138-W140 HydrophobicContact CG-CD2 4.05Å; P138-W140 HydrophobicContact CG-CG 4.47Å; P138-W140 HydrophobicContact CG-CH2 4.24Å; P138-W140 HydrophobicContact CG-CZ2 3.44Å; P138-W140 VanDerWaalsContact CG-CZ2 3.44Å; P138-W140 PolarHBondContact O-N 3.14Å; P138-W140 VanDerWaalsContact O-N 3.13Å; P138-M141 HydrophobicContact CG-CE 4.31Å; P138-M141 VanDerWaalsContact O-CB 3.28Å; P138-M141 WeakPolarHBondContact O-CB 3.11Å; P138-M141 PolarHBondContact O-N 3.01Å; P138-E155 WeakPolarHBondContact CA-O 3.09Å; P138-Y156 HydrophobicContact CB-CD1 4.19Å; P138-Y156 HydrophobicContact CB-CE1 4.04Å
139K97.7Very high98.3Very high82 Ų8243 Ų4336%0.35720%0.198SC..THydrogen-bonded Turntrans-59.6-25.2-174.9-85.6-164167.3166.50115.2M141 S154 E155K139-M141 PolarHBondContact O-N 3.33Å; K139-S154 WeakPolarHBondContact CD-O 3.1Å; K139-S154 WeakPolarHBondContact CE-O 3.33Å; K139-S154 PolarHBondContact NZ-O 3.06Å; K139-E155 PolarHBondContact N-O 2.95Å
140W97.9Very high98.3Very high202 Ų20243.2 Ų43.277%0.76520%0.199SC*.THydrogen-bonded Turntrans-72.3-10.117758.9-104.2000113.7P138 E142P138-W140 HydrophobicContact CB-CD2 4.42Å; P138-W140 HydrophobicContact CB-CG 4.34Å; P138-W140 HydrophobicContact CB-CZ2 4.34Å; P138-W140 VanDerWaalsContact CB-NE1 3.29Å; P138-W140 HydrophobicContact CG-CD2 4.05Å; P138-W140 HydrophobicContact CG-CG 4.47Å; P138-W140 HydrophobicContact CG-CH2 4.24Å; P138-W140 HydrophobicContact CG-CZ2 3.44Å; P138-W140 VanDerWaalsContact CG-CZ2 3.44Å; P138-W140 PolarHBondContact O-N 3.14Å; P138-W140 VanDerWaalsContact O-N 3.13Å; W140-E142 PolarHBondContact O-N 3.05Å
141M97.3Very high98.3Very high22 Ų2243.2 Ų43.211%0.10820%0.199CC..SBendtrans-78.7115.6178.9-173.8177.3-60.800111R83 V137 P138 K139 P143 A144 I145R83-M141 PolarHBondContact NH1-SD 3.38Å; V137-M141 HydrophobicContact CG1-SD 4.24Å; P138-M141 HydrophobicContact CG-CE 4.31Å; P138-M141 VanDerWaalsContact O-CB 3.28Å; P138-M141 WeakPolarHBondContact O-CB 3.11Å; P138-M141 PolarHBondContact O-N 3.01Å; K139-M141 PolarHBondContact O-N 3.33Å; M141-P143 CarbonylContact O-C 3.5Å; M141-A144 PolarHBondContact O-N 3.24Å; M141-I145 HydrophobicContact SD-CD1 3.85Å; M141-I145 HydrophobicContact SD-CG1 3.97Å
142E94.8Very high98.3Very high152 Ų15243.9 Ų43.971%0.7120%0.201SC*.SBendtrans-119.4129.1-179.9-70.1-66.2166.700111.4W140W140-E142 PolarHBondContact O-N 3.05Å
143P96.5Very high98.3Very high87 Ų8739.6 Ų39.657%0.56519%0.186SC*.SBendcis-70.9157.3-6.932.3-35.8000111.8M141M141-P143 CarbonylContact O-C 3.5Å
144A98.4Very high98.3Very high13 Ų1340.4 Ų40.411%0.10720%0.197CC..  trans-57.2141.8168.800000110.9P67 F68 M76 M141 H157P67-A144 HydrophobicContact CB-CB 4Å; F68-A144 HydrophobicContact CE1-CB 3.98Å; F68-A144 HydrophobicContact CZ-CB 4.44Å; M76-A144 WeakPolarHBondContact CE-O 3.33Å; M141-A144 PolarHBondContact O-N 3.24Å; A144-H157 HydrophobicContact CB-CB 4.46Å
145I98.8Very high98.3Very high9 Ų941.3 Ų41.35%0.04620%0.204CC..  trans-126.4142.4177.958.5171.4000111.2M76 V80 R83 L85 V137 M141 V147M76-I145 HydrophobicContact CG-CB 4.47Å; M76-I145 HydrophobicContact CG-CG2 3.9Å; V80-I145 HydrophobicContact CG2-CB 3.74Å; V80-I145 HydrophobicContact CG2-CD1 4.11Å; V80-I145 HydrophobicContact CG2-CG1 4.34Å; V80-I145 HydrophobicContact CG2-CG2 4.34Å; R83-I145 VanDerWaalsContact NH1-CD1 3.28Å; L85-I145 HydrophobicContact CD1-CD1 3.53Å; V137-I145 HydrophobicContact CG1-CG1 3.96Å; V137-I145 HydrophobicContact CG2-CG1 4.03Å; M141-I145 HydrophobicContact SD-CD1 3.85Å; M141-I145 HydrophobicContact SD-CG1 3.97Å; I145-V147 PolarHBondContact O-N 2.75Å
146P98.8Very high98.3Very high0 Ų043 Ų430%021%0.21CC..  trans-81.8111.2-17231.1-35.6000111.7F68 I72 M77 I159 Y366F68-P146 HydrophobicContact CD1-CB 4.26Å; F68-P146 HydrophobicContact CE1-CB 3.99Å; F68-P146 HydrophobicContact CE2-CB 4.4Å; F68-P146 HydrophobicContact CZ-CB 4.06Å; I72-P146 HydrophobicContact CD1-CB 4.01Å; I72-P146 HydrophobicContact CD1-CG 3.91Å; I72-P146 HydrophobicContact CG1-CG 4.13Å; I72-P146 HydrophobicContact CG2-CG 3.83Å; M77-P146 HydrophobicContact CE-CG 4.28Å; P146-I159 HydrophobicContact CB-CD1 4.16Å; P146-Y366 HydrophobicContact CB-CE2 3.94Å
147V98.9Very high98.3Very high0 Ų041.9 Ų41.90%021%0.205CC..  trans-127.8131.9168.2179.40000108.3V80 L85 N130 Q136 V137 I145 D158 I159V80-V147 HydrophobicContact CG1-CG2 3.55Å; L85-V147 HydrophobicContact CB-CG1 4.48Å; L85-V147 HydrophobicContact CB-CG2 3.87Å; L85-V147 HydrophobicContact CD1-CG2 3.86Å; N130-V147 HydrophobicContact CB-CG1 3.8Å; Q136-V147 HydrophobicContact CB-CG1 4.2Å; Q136-V147 HydrophobicContact CG-CG1 4.3Å; V137-V147 HydrophobicContact CG2-CB 3.68Å; V137-V147 HydrophobicContact CG2-CG2 3.53Å; I145-V147 PolarHBondContact O-N 2.75Å; V147-D158 CarbonylContact O-C 3.37Å; V147-D158 VanDerWaalsContact O-CA 3.28Å; V147-D158 WeakPolarHBondContact O-CA 3.31Å; V147-I159 PolarHBondContact O-N 3.19Å
148F98.9Very high98.3Very high0 Ų041.9 Ų41.90%021%0.205CC..EExtended strand (participates in β ladder)trans-88.9124.3175.7-71.2-104.6000109.7M127 V128 I129 N130 I159 Y161 L362 L363 Y366M127-F148 HydrophobicContact CB-CD2 4.06Å; M127-F148 HydrophobicContact CB-CE2 3.73Å; M127-F148 HydrophobicContact CG-CE2 4.44Å; V128-F148 PolarHBondContact O-N 3.24Å; I129-F148 HydrophobicContact CB-CB 4.46Å; I129-F148 HydrophobicContact CG1-CB 4.18Å; I129-F148 HydrophobicContact CG2-CB 4.39Å; N130-F148 WeakPolarHBondContact CA-O 3.28Å; N130-F148 VanDerWaalsContact CB-O 3.31Å; N130-F148 WeakPolarHBondContact CB-O 3.4Å; N130-F148 PolarHBondContact N-O 2.9Å; F148-I159 CarbonylContact C-O 3.5Å; F148-I159 VanDerWaalsContact CA-O 3.22Å; F148-I159 WeakPolarHBondContact CA-O 3.4Å; F148-I159 HydrophobicContact CD1-CB 3.86Å; F148-I159 HydrophobicContact CD1-CG2 3.66Å; F148-I159 HydrophobicContact CD2-CD1 4.38Å; F148-I159 HydrophobicContact CE1-CB 4.01Å; F148-I159 HydrophobicContact CE1-CD1 4.31Å; F148-I159 HydrophobicContact CE1-CG2 3.48Å; F148-I159 VanDerWaalsContact CE1-CG2 3.48Å; F148-I159 HydrophobicContact CE2-CD1 3.92Å; F148-I159 HydrophobicContact CG-CB 4.19Å; F148-I159 HydrophobicContact CG-CG2 4.47Å; F148-I159 HydrophobicContact CZ-CB 4.44Å; F148-I159 HydrophobicContact CZ-CD1 3.89Å; F148-I159 HydrophobicContact CZ-CG2 4.15Å; F148-Y161 HydrophobicContact CB-CD1 3.8Å; F148-Y161 HydrophobicContact CB-CE1 4.25Å; F148-Y161 WeakPolarHBondContact O-CE1 3.5Å; F148-L362 HydrophobicContact CD1-CD2 4.07Å; F148-L362 HydrophobicContact CE1-CD1 4.17Å; F148-L362 HydrophobicContact CE1-CD2 3.8Å; F148-L362 HydrophobicContact CE1-CG 3.93Å; F148-L363 HydrophobicContact CE1-CD2 4.37Å; F148-L363 HydrophobicContact CZ-CD2 4.41Å; F148-Y366 HydrophobicContact CE2-CD1 4.33Å; F148-Y366 AromaticContact CE2-CD2 3.95Å; F148-Y366 HydrophobicContact CE2-CD2 3.95Å; F148-Y366 HydrophobicContact CE2-CE1 4.17Å; F148-Y366 AromaticContact CE2-CE2 3.75Å; F148-Y366 HydrophobicContact CE2-CE2 3.75Å; F148-Y366 HydrophobicContact CE2-CG 4.23Å; F148-Y366 AromaticContact CE2-CZ 3.88Å; F148-Y366 AromaticContact CZ-CD1 4Å; F148-Y366 HydrophobicContact CZ-CD1 4Å; F148-Y366 AromaticContact CZ-CD2 3.58Å; F148-Y366 HydrophobicContact CZ-CD2 3.58Å; F148-Y366 HydrophobicContact CZ-CE1 4.31Å; F148-Y366 AromaticContact CZ-CE2 3.91Å; F148-Y366 HydrophobicContact CZ-CE2 3.91Å; F148-Y366 AromaticContact CZ-CG 3.63Å; F148-Y366 HydrophobicContact CZ-CG 3.63Å
149S98.9Very high98.4Very high1 Ų141.1 Ų41.11%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-134.3139.9177.1-69.10000110N130 S151 D158 I159 M160 Y161N130-S149 WeakPolarHBondContact CB-OG 3.45Å; N130-S149 PolarHBondContact ND2-OG 2.69Å; S149-S151 PolarHBondContact O-N 2.95Å; S149-S151 VanDerWaalsContact O-N 3.16Å; S149-D158 VanDerWaalsContact CB-OD1 3.3Å; S149-D158 WeakPolarHBondContact CB-OD1 3.2Å; S149-D158 PolarHBondContact OG-OD1 2.78Å; S149-I159 PolarHBondContact N-O 2.88Å; S149-M160 VanDerWaalsContact O-CA 3.32Å; S149-M160 WeakPolarHBondContact O-CA 3.15Å; S149-Y161 VanDerWaalsContact C-CD1 3.48Å; S149-Y161 VanDerWaalsContact C-CE1 3.43Å
150F98.9Very high98.4Very high6 Ų637.4 Ų37.43%0.02618%0.184CC..SBendtrans-65-25.9-173.790.9-81.6000113.8D133 Y161 A163 W164 A275 F278 E299D133-F150 VanDerWaalsContact O-CE1 3.31Å; D133-F150 WeakPolarHBondContact O-CE1 3.43Å; F150-Y161 HydrophobicContact CB-CE1 4.32Å; F150-Y161 HydrophobicContact CB-CE2 4.21Å; F150-Y161 VanDerWaalsContact N-CE1 3.29Å; F150-A163 HydrophobicContact CB-CB 3.84Å; F150-A163 HydrophobicContact CD2-CB 3.86Å; F150-A163 HydrophobicContact CG-CB 4.09Å; F150-W164 HydrophobicContact CB-CZ3 4.21Å; F150-W164 AromaticContact CD1-CH2 3.56Å; F150-W164 HydrophobicContact CD1-CH2 3.56Å; F150-W164 HydrophobicContact CD1-CZ2 4.32Å; F150-W164 HydrophobicContact CD1-CZ3 4.04Å; F150-W164 HydrophobicContact CE1-CH2 4.08Å; F150-W164 HydrophobicContact CG-CH2 4.18Å; F150-W164 HydrophobicContact CG-CZ3 4.37Å; F150-A275 HydrophobicContact CE1-CB 4.35Å; F150-A275 HydrophobicContact CZ-CB 4.09Å; F150-F278 AromaticContact CD2-CE1 3.61Å; F150-F278 HydrophobicContact CD2-CE1 3.61Å; F150-F278 HydrophobicContact CD2-CZ 4.29Å; F150-F278 HydrophobicContact CE2-CD1 4.12Å; F150-F278 AromaticContact CE2-CE1 3.33Å; F150-F278 HydrophobicContact CE2-CE1 3.33Å; F150-F278 AromaticContact CE2-CZ 3.99Å; F150-F278 HydrophobicContact CE2-CZ 3.99Å; F150-F278 HydrophobicContact CG-CE1 4.47Å; F150-F278 HydrophobicContact CZ-CE1 4.02Å; F150-F278 HydrophobicContact CZ-CZ 4.26Å; F150-E299 HydrophobicContact CD2-CG 4.15Å; F150-E299 HydrophobicContact CE2-CG 4.17Å
151S98.9Very high98.5Very high0 Ų027.8 Ų27.80%015%0.148CC..EExtended strand (participates in β ladder)trans-143.2144-175.5-178.50000111.8S149 A276 L298S149-S151 PolarHBondContact O-N 2.95Å; S149-S151 VanDerWaalsContact O-N 3.16Å; S151-A276 WeakPolarHBondContact OG-CB 3.48Å; S151-A276 PolarHBondContact OG-N 2.99Å; S151-L298 WeakPolarHBondContact CA-O 3.31Å; S151-L298 WeakPolarHBondContact CB-O 3.47Å; S151-L298 PolarHBondContact OG-O 2.65Å
152K98.9Very high98.5Very high18 Ų1826.8 Ų26.88%0.07814%0.142CC..EExtended strand (participates in β ladder)trans-153.1176.7176.470.5176.2180175.50111.8D64 P135 D158 M160 L298D64-K152 VanDerWaalsContact CG-NZ 3.26Å; D64-K152 WeakPolarHBondContact OD1-CE 3.5Å; D64-K152 IonicContact OD1-NZ 3.18Å; D64-K152 PolarHBondContact OD1-NZ 3.2Å; D64-K152 IonicContact OD2-NZ 3.96Å; P135-K152 HydrophobicContact CB-CB 4.24Å; P135-K152 HydrophobicContact CG-CB 4.47Å; K152-D158 HydrophobicContact CD-CB 4.38Å; K152-D158 WeakPolarHBondContact CD-O 3.22Å; K152-D158 VanDerWaalsContact CE-O 3.29Å; K152-D158 WeakPolarHBondContact CE-O 3.48Å; K152-D158 PolarHBondContact NZ-O 2.91Å; K152-M160 HydrophobicContact CD-CG 4.1Å; K152-M160 HydrophobicContact CG-CG 3.87Å; K152-M160 HydrophobicContact CG-SD 3.96Å; K152-L298 PolarHBondContact N-O 3.38Å; K152-L298 PolarHBondContact O-N 2.76Å
153T98.8Very high98.7Very high10 Ų1019.5 Ų19.56%0.06111%0.109CC..  trans-110.3178.1161.973.90000109.8E155 Y156 E296 W297T153-E155 PolarHBondContact O-N 2.94Å; T153-E155 VanDerWaalsContact O-N 3.07Å; T153-E155 PolarHBondContact OG1-N 3.18Å; T153-E155 VanDerWaalsContact OG1-N 3.13Å; T153-Y156 PolarHBondContact O-N 3.31Å; T153-Y156 WeakPolarHBondContact OG1-CD2 3.45Å; T153-E296 VanDerWaalsContact CA-O 3.28Å; T153-E296 WeakPolarHBondContact CA-O 3.48Å; T153-E296 WeakPolarHBondContact CB-O 3.49Å; T153-E296 HydrophobicContact CG2-CB 4.02Å; T153-E296 WeakPolarHBondContact CG2-O 3.02Å; T153-W297 HydrophobicContact CG2-CD2 3.72Å; T153-W297 HydrophobicContact CG2-CE3 4.05Å; T153-W297 HydrophobicContact CG2-CG 4.08Å; T153-W297 HydrophobicContact CG2-CH2 4.38Å; T153-W297 HydrophobicContact CG2-CZ2 4.05Å; T153-W297 HydrophobicContact CG2-CZ3 4.37Å
154S98.5Very high98.8Very high77 Ų7715.4 Ų15.454%0.5388%0.082SC..THydrogen-bonded Turntrans-59.3-14.6170.860.10000113.5K139 Y156K139-S154 WeakPolarHBondContact CD-O 3.1Å; K139-S154 WeakPolarHBondContact CE-O 3.33Å; K139-S154 PolarHBondContact NZ-O 3.06Å; S154-Y156 VanDerWaalsContact C-N 3.28Å; S154-Y156 PolarHBondContact O-N 2.88Å
155E98.7Very high98.9Very high116 Ų11614.9 Ų14.954%0.5428%0.078SC..THydrogen-bonded Turntrans-8811-178.1-57.5-52.3114.900113.5P138 K139 T153P138-E155 WeakPolarHBondContact CA-O 3.09Å; K139-E155 PolarHBondContact N-O 2.95Å; T153-E155 PolarHBondContact O-N 2.94Å; T153-E155 VanDerWaalsContact O-N 3.07Å; T153-E155 PolarHBondContact OG1-N 3.18Å; T153-E155 VanDerWaalsContact OG1-N 3.13Å
156Y98.9Very high98.9Very high40 Ų4014.5 Ų14.516%0.1578%0.075CC..BIsolated β-bridgetrans-130.8146.5178.5-64.5-98000112.4Y134 P135 V137 P138 T153 S154Y134-Y156 VanDerWaalsContact CE1-OH 3.31Å; Y134-Y156 WeakPolarHBondContact CE1-OH 3.48Å; P135-Y156 HydrophobicContact CB-CD1 3.56Å; P135-Y156 HydrophobicContact CB-CD2 4.43Å; P135-Y156 HydrophobicContact CB-CE1 4.02Å; P135-Y156 HydrophobicContact CB-CG 3.81Å; P135-Y156 HydrophobicContact CG-CD1 3.57Å; P135-Y156 HydrophobicContact CG-CD2 3.84Å; P135-Y156 HydrophobicContact CG-CE1 3.61Å; P135-Y156 HydrophobicContact CG-CE2 3.89Å; P135-Y156 HydrophobicContact CG-CG 3.71Å; V137-Y156 CarbonylContact O-C 3.56Å; V137-Y156 VanDerWaalsContact O-CA 3.28Å; V137-Y156 WeakPolarHBondContact O-CA 3.49Å; P138-Y156 HydrophobicContact CB-CD1 4.19Å; P138-Y156 HydrophobicContact CB-CE1 4.04Å; T153-Y156 PolarHBondContact O-N 3.31Å; T153-Y156 WeakPolarHBondContact OG1-CD2 3.45Å; S154-Y156 VanDerWaalsContact C-N 3.28Å; S154-Y156 PolarHBondContact O-N 2.88Å
157H98.9Very high98.9Very high28 Ų2817.5 Ų17.513%0.139%0.087CC..  trans-94.45.3173-69148000113.3V137 A144V137-H157 HydrophobicContact CB-CB 4.42Å; V137-H157 HydrophobicContact CG1-CB 3.94Å; V137-H157 PolarHBondContact O-N 2.56Å; A144-H157 HydrophobicContact CB-CB 4.46Å
158D98.9Very high98.8Very high0 Ų020 Ų200%010%0.099CC..PPolyproline II helixtrans-54.3145172-66.8-117.5000110.9P135 Q136 V137 V147 S149 K152P135-D158 HydrophobicContact CB-CB 4.27Å; P135-D158 WeakPolarHBondContact CB-OD2 3.39Å; Q136-D158 PolarHBondContact N-OD1 2.88Å; Q136-D158 PolarHBondContact N-OD2 3.04Å; V137-D158 WeakPolarHBondContact CA-OD2 3.45Å; V137-D158 PolarHBondContact N-OD2 3.12Å; V147-D158 CarbonylContact O-C 3.37Å; V147-D158 VanDerWaalsContact O-CA 3.28Å; V147-D158 WeakPolarHBondContact O-CA 3.31Å; S149-D158 VanDerWaalsContact CB-OD1 3.3Å; S149-D158 WeakPolarHBondContact CB-OD1 3.2Å; S149-D158 PolarHBondContact OG-OD1 2.78Å; K152-D158 HydrophobicContact CD-CB 4.38Å; K152-D158 WeakPolarHBondContact CD-O 3.22Å; K152-D158 VanDerWaalsContact CE-O 3.29Å; K152-D158 WeakPolarHBondContact CE-O 3.48Å; K152-D158 PolarHBondContact NZ-O 2.91Å
159I98.9Very high98.8Very high0 Ų020.5 Ų20.50%010%0.104CC..EExtended strand (participates in β ladder)trans-91.8120.2177.3-59.1162000107.8D64 L65 F68 P146 V147 F148 S149 L362 Y366D64-I159 HydrophobicContact CB-CG2 4.15Å; L65-I159 HydrophobicContact CD2-CD1 3.7Å; L65-I159 HydrophobicContact CD2-CG1 4.11Å; L65-I159 HydrophobicContact CD2-CG2 4.13Å; F68-I159 HydrophobicContact CD2-CD1 4Å; F68-I159 HydrophobicContact CD2-CG1 4.36Å; F68-I159 HydrophobicContact CE2-CD1 3.71Å; F68-I159 HydrophobicContact CE2-CG1 3.77Å; P146-I159 HydrophobicContact CB-CD1 4.16Å; V147-I159 PolarHBondContact O-N 3.19Å; F148-I159 CarbonylContact C-O 3.5Å; F148-I159 VanDerWaalsContact CA-O 3.22Å; F148-I159 WeakPolarHBondContact CA-O 3.4Å; F148-I159 HydrophobicContact CD1-CB 3.86Å; F148-I159 HydrophobicContact CD1-CG2 3.66Å; F148-I159 HydrophobicContact CD2-CD1 4.38Å; F148-I159 HydrophobicContact CE1-CB 4.01Å; F148-I159 HydrophobicContact CE1-CD1 4.31Å; F148-I159 HydrophobicContact CE1-CG2 3.48Å; F148-I159 VanDerWaalsContact CE1-CG2 3.48Å; F148-I159 HydrophobicContact CE2-CD1 3.92Å; F148-I159 HydrophobicContact CG-CB 4.19Å; F148-I159 HydrophobicContact CG-CG2 4.47Å; F148-I159 HydrophobicContact CZ-CB 4.44Å; F148-I159 HydrophobicContact CZ-CD1 3.89Å; F148-I159 HydrophobicContact CZ-CG2 4.15Å; S149-I159 PolarHBondContact N-O 2.88Å; I159-L362 HydrophobicContact CG2-CD1 3.69Å; I159-L362 HydrophobicContact CG2-CD2 4.48Å; I159-Y366 HydrophobicContact CD1-CD2 4.01Å; I159-Y366 HydrophobicContact CD1-CE2 4.06Å
160M98.9Very high98.7Very high4 Ų420.9 Ų20.92%0.0211%0.107CC..EExtended strand (participates in β ladder)trans-69.8141.6179.9-72.1-172.9-70.600111.6V60 D64 S149 K152 L298 F300 L362V60-M160 HydrophobicContact CG1-CE 3.52Å; D64-M160 WeakPolarHBondContact OD2-CB 3.44Å; D64-M160 PolarHBondContact OD2-N 3.06Å; S149-M160 VanDerWaalsContact O-CA 3.32Å; S149-M160 WeakPolarHBondContact O-CA 3.15Å; K152-M160 HydrophobicContact CD-CG 4.1Å; K152-M160 HydrophobicContact CG-CG 3.87Å; K152-M160 HydrophobicContact CG-SD 3.96Å; M160-L298 HydrophobicContact CE-CB 4.47Å; M160-L298 HydrophobicContact SD-CB 3.93Å; M160-F300 HydrophobicContact CB-CB 4.09Å; M160-L362 VanDerWaalsContact O-CD2 3.31Å; M160-L362 WeakPolarHBondContact O-CD2 3.35Å
161Y98.9Very high98.7Very high1 Ų123.6 Ų23.60%0.00413%0.125CC..  trans-134.7156.1172.870.8-96000110.9V111 I129 N130 F148 S149 F150 A163 W164 W359V111-Y161 HydrophobicContact CG2-CE2 3.76Å; I129-Y161 HydrophobicContact CG2-CD1 4.35Å; I129-Y161 HydrophobicContact CG2-CE1 3.67Å; I129-Y161 HydrophobicContact CG2-CE2 4.44Å; N130-Y161 PolarHBondContact O-OH 3.17Å; F148-Y161 HydrophobicContact CB-CD1 3.8Å; F148-Y161 HydrophobicContact CB-CE1 4.25Å; F148-Y161 WeakPolarHBondContact O-CE1 3.5Å; S149-Y161 VanDerWaalsContact C-CD1 3.48Å; S149-Y161 VanDerWaalsContact C-CE1 3.43Å; F150-Y161 HydrophobicContact CB-CE1 4.32Å; F150-Y161 HydrophobicContact CB-CE2 4.21Å; F150-Y161 VanDerWaalsContact N-CE1 3.29Å; Y161-A163 PolarHBondContact O-N 3.09Å; Y161-A163 VanDerWaalsContact O-N 3.14Å; Y161-W164 HydrophobicContact CE2-CE3 4.19Å; Y161-W164 WeakPolarHBondContact OH-CZ3 3.28Å; Y161-W359 HydrophobicContact CD1-CH2 4.46Å; Y161-W359 AromaticContact CD2-CH2 3.36Å; Y161-W359 HydrophobicContact CD2-CH2 3.36Å; Y161-W359 AromaticContact CD2-CZ2 3.18Å; Y161-W359 HydrophobicContact CD2-CZ2 3.18Å; Y161-W359 HydrophobicContact CE2-CH2 4.11Å; Y161-W359 AromaticContact CE2-CZ2 3.93Å; Y161-W359 HydrophobicContact CE2-CZ2 3.93Å; Y161-W359 AromaticContact CG-CH2 3.54Å; Y161-W359 HydrophobicContact CG-CH2 3.54Å; Y161-W359 AromaticContact CG-CZ2 3.81Å; Y161-W359 HydrophobicContact CG-CZ2 3.81Å; Y161-W359 HydrophobicContact CG-CZ3 4.37Å
162P98.9Very high98.6Very high0 Ų025.4 Ų25.40%014%0.141CC..  trans-64.2115.1175.1-19.631.3000111.5F166 F300 I355 Y358 W359P162-F166 HydrophobicContact CB-CD2 3.98Å; P162-F166 HydrophobicContact CB-CE2 4.06Å; P162-F300 HydrophobicContact CB-CD1 4.04Å; P162-F300 HydrophobicContact CB-CE1 3.69Å; P162-F300 HydrophobicContact CB-CZ 4.32Å; P162-F300 HydrophobicContact CG-CD1 4.01Å; P162-F300 HydrophobicContact CG-CE1 3.83Å; P162-F300 HydrophobicContact CG-CG 4.45Å; P162-F300 HydrophobicContact CG-CZ 4.12Å; P162-I355 HydrophobicContact CB-CG2 3.56Å; P162-I355 HydrophobicContact CG-CG2 4.2Å; P162-Y358 HydrophobicContact CG-CD1 3.49Å; P162-Y358 VanDerWaalsContact CG-CD1 3.49Å; P162-Y358 HydrophobicContact CG-CE1 4.28Å; P162-Y358 HydrophobicContact CG-CG 4.14Å; P162-W359 HydrophobicContact CG-CG 4.28Å; P162-W359 PolarHBondContact O-NE1 3.49Å
163A98.9Very high98.5Very high0 Ų026.4 Ų26.40%015%0.148CC..  trans-52.6146.8-172.400000113.5F150 Y161 T165 F166 F278F150-A163 HydrophobicContact CB-CB 3.84Å; F150-A163 HydrophobicContact CD2-CB 3.86Å; F150-A163 HydrophobicContact CG-CB 4.09Å; Y161-A163 PolarHBondContact O-N 3.09Å; Y161-A163 VanDerWaalsContact O-N 3.14Å; A163-T165 HydrophobicContact CB-CG2 4.06Å; A163-T165 PolarHBondContact O-N 2.93Å; A163-F166 VanDerWaalsContact O-CD2 3.26Å; A163-F166 WeakPolarHBondContact O-CD2 3.45Å; A163-F166 PolarHBondContact O-N 3.16Å; A163-F278 HydrophobicContact CB-CD1 4.49Å; A163-F278 HydrophobicContact CB-CE1 3.63Å; A163-F278 HydrophobicContact CB-CZ 4.13Å
164W98.9Very high98.2Very high0 Ų035.3 Ų35.30%018%0.181CC..G310 helixtrans-45.1-36174.850.281.6000113.7R107 V111 V131 F150 Y161 F166 W167 E168 G169 F278R107-W164 HydrophobicContact CB-CB 4.14Å; R107-W164 HydrophobicContact CB-CD2 3.7Å; R107-W164 HydrophobicContact CB-CE3 4.1Å; R107-W164 HydrophobicContact CB-CG 3.69Å; R107-W164 HydrophobicContact CG-CD2 3.77Å; R107-W164 HydrophobicContact CG-CE3 4.49Å; R107-W164 HydrophobicContact CG-CG 3.8Å; R107-W164 HydrophobicContact CG-CZ2 4.32Å; R107-W164 VanDerWaalsContact CZ-CZ2 3.46Å; R107-W164 VanDerWaalsContact O-CB 3.25Å; R107-W164 WeakPolarHBondContact O-CB 3.42Å; V111-W164 HydrophobicContact CG2-CB 4.31Å; V131-W164 HydrophobicContact CB-CE3 4.21Å; V131-W164 HydrophobicContact CB-CZ3 4.11Å; V131-W164 HydrophobicContact CG1-CE3 4.25Å; V131-W164 HydrophobicContact CG1-CZ3 4.47Å; V131-W164 WeakPolarHBondContact O-CH2 3.39Å; F150-W164 HydrophobicContact CB-CZ3 4.21Å; F150-W164 AromaticContact CD1-CH2 3.56Å; F150-W164 HydrophobicContact CD1-CH2 3.56Å; F150-W164 HydrophobicContact CD1-CZ2 4.32Å; F150-W164 HydrophobicContact CD1-CZ3 4.04Å; F150-W164 HydrophobicContact CE1-CH2 4.08Å; F150-W164 HydrophobicContact CG-CH2 4.18Å; F150-W164 HydrophobicContact CG-CZ3 4.37Å; Y161-W164 HydrophobicContact CE2-CE3 4.19Å; Y161-W164 WeakPolarHBondContact OH-CZ3 3.28Å; W164-F166 PolarHBondContact O-N 3.42Å; W164-W167 PolarHBondContact O-N 3.17Å; W164-E168 CarbonylContact C-O 3.54Å; W164-E168 PolarHBondContact O-N 2.98Å; W164-G169 VanDerWaalsContact CD1-C 3.48Å; W164-G169 VanDerWaalsContact CD1-O 3.32Å; W164-G169 PolarHBondContact NE1-O 2.92Å; W164-F278 AromaticContact CE2-CZ 3.98Å; W164-F278 AromaticContact CZ2-CZ 3.9Å; W164-F278 HydrophobicContact CZ2-CZ 3.9Å; W164-F278 AromaticContact NE1-CZ 3.9Å
165T98.8Very high98.1Very high3 Ų335.5 Ų35.52%0.01818%0.18CC..G310 helixtrans-62.1-10.8-176.7-160.50000114.9A163 E168 L181 G182 F278A163-T165 HydrophobicContact CB-CG2 4.06Å; A163-T165 PolarHBondContact O-N 2.93Å; T165-E168 PolarHBondContact N-O 2.81Å; T165-L181 PolarHBondContact OG1-O 2.77Å; T165-G182 WeakPolarHBondContact O-CA 3.41Å; T165-F278 HydrophobicContact CG2-CB 4.3Å; T165-F278 HydrophobicContact CG2-CD1 3.66Å; T165-F278 HydrophobicContact CG2-CD2 3.87Å; T165-F278 HydrophobicContact CG2-CE1 3.8Å; T165-F278 HydrophobicContact CG2-CE2 4.03Å; T165-F278 HydrophobicContact CG2-CG 3.7Å; T165-F278 HydrophobicContact CG2-CZ 4Å
166F98.9Very high98.1Very high0 Ų032 Ų320%017%0.165CC..G310 helixtrans-64.4-30.5168.8-76.9-72.3000110.9F114 P162 A163 W164 W184 K281 F300 F301 L350 I355F114-F166 HydrophobicContact CE2-CB 3.91Å; F114-F166 HydrophobicContact CZ-CB 3.59Å; P162-F166 HydrophobicContact CB-CD2 3.98Å; P162-F166 HydrophobicContact CB-CE2 4.06Å; A163-F166 VanDerWaalsContact O-CD2 3.26Å; A163-F166 WeakPolarHBondContact O-CD2 3.45Å; A163-F166 PolarHBondContact O-N 3.16Å; W164-F166 PolarHBondContact O-N 3.42Å; F166-W184 HydrophobicContact CB-CB 4.39Å; F166-W184 HydrophobicContact CD1-CB 3.73Å; F166-W184 AromaticContact CD1-CD1 3.44Å; F166-W184 VanDerWaalsContact CD1-CD1 3.44Å; F166-W184 HydrophobicContact CD1-CD2 4.35Å; F166-W184 AromaticContact CD1-CG 3.56Å; F166-W184 HydrophobicContact CD1-CG 3.56Å; F166-W184 AromaticContact CE1-CD1 3.73Å; F166-W184 HydrophobicContact CE1-CD2 4.37Å; F166-W184 AromaticContact CE1-CG 4Å; F166-W184 HydrophobicContact CE1-CG 4Å; F166-W184 AromaticContact CE1-NE1 3.85Å; F166-W184 WeakPolarHBondContact O-CB 3.48Å; F166-W184 PolarHBondContact O-N 3.21Å; F166-K281 HydrophobicContact CD1-CD 4.4Å; F166-K281 HydrophobicContact CE1-CD 3.55Å; F166-K281 HydrophobicContact CZ-CD 3.91Å; F166-F300 AromaticContact CE2-CE1 3.94Å; F166-F300 HydrophobicContact CE2-CE1 3.94Å; F166-F300 HydrophobicContact CZ-CE1 4.17Å; F166-F301 HydrophobicContact CZ-CE1 4.35Å; F166-L350 HydrophobicContact CE1-CD2 4.32Å; F166-L350 HydrophobicContact CE1-CG 4.32Å; F166-L350 HydrophobicContact CZ-CD1 4.32Å; F166-L350 HydrophobicContact CZ-CD2 4.35Å; F166-L350 HydrophobicContact CZ-CG 4.47Å; F166-I355 HydrophobicContact CB-CG1 4.41Å; F166-I355 HydrophobicContact CB-CG2 4.1Å; F166-I355 HydrophobicContact CD1-CD1 3.78Å; F166-I355 HydrophobicContact CD1-CG1 3.73Å; F166-I355 HydrophobicContact CD2-CD1 4.05Å; F166-I355 HydrophobicContact CD2-CG1 4.29Å; F166-I355 HydrophobicContact CD2-CG2 4.08Å; F166-I355 HydrophobicContact CE1-CD1 3.51Å; F166-I355 HydrophobicContact CE1-CG1 3.99Å; F166-I355 HydrophobicContact CE2-CD1 3.82Å; F166-I355 HydrophobicContact CG-CD1 4.06Å; F166-I355 HydrophobicContact CG-CG1 3.91Å; F166-I355 HydrophobicContact CG-CG2 4.07Å; F166-I355 HydrophobicContact CZ-CD1 3.54Å; F166-I355 HydrophobicContact CZ-CG1 4.4Å
167W98.8Very high98Very high63 Ų6331.2 Ų31.224%0.23916%0.162CC..THydrogen-bonded Turntrans-107.1-59.7173.1-171.5-115.5000112.9H113 F114 W164 G182 R183 M352H113-W167 HydrophobicContact CB-CB 4.42Å; H113-W167 HydrophobicContact CB-CG 3.98Å; H113-W167 AromaticContact CD2-CD1 3.96Å; H113-W167 AromaticContact CD2-CD2 3.56Å; H113-W167 AromaticContact CD2-CE3 3.93Å; H113-W167 AromaticContact CD2-CG 3.49Å; H113-W167 VanDerWaalsContact CD2-CG 3.49Å; H113-W167 AromaticContact CE1-CD2 3.54Å; H113-W167 AromaticContact CE1-CE2 3.44Å; H113-W167 VanDerWaalsContact CE1-CE2 3.44Å; H113-W167 AromaticContact CE1-CE3 3.71Å; H113-W167 AromaticContact CE1-CH2 3.69Å; H113-W167 AromaticContact CE1-CZ2 3.54Å; H113-W167 AromaticContact CE1-CZ3 3.78Å; H113-W167 AromaticContact CG-CD1 3.53Å; H113-W167 AromaticContact CG-CD2 3.74Å; H113-W167 AromaticContact CG-CE2 3.83Å; H113-W167 AromaticContact CG-CG 3.56Å; H113-W167 AromaticContact CG-NE1 3.71Å; H113-W167 AromaticContact ND1-CD1 3.87Å; H113-W167 AromaticContact ND1-CD2 3.73Å; H113-W167 AromaticContact ND1-CE2 3.42Å; H113-W167 AromaticContact ND1-CZ2 3.8Å; H113-W167 AromaticContact ND1-NE1 3.54Å; H113-W167 AromaticContact NE2-CD2 3.4Å; H113-W167 AromaticContact NE2-CE2 3.83Å; H113-W167 AromaticContact NE2-CE3 3.37Å; H113-W167 AromaticContact NE2-CG 3.89Å; H113-W167 AromaticContact NE2-CZ3 3.74Å; F114-W167 HydrophobicContact CE2-CB 3.86Å; F114-W167 HydrophobicContact CZ-CB 4Å; W164-W167 PolarHBondContact O-N 3.17Å; W167-G182 CarbonylContact O-C 3.49Å; W167-G182 WeakPolarHBondContact O-CA 3.33Å; W167-R183 VanDerWaalsContact CZ3-NE 3.34Å; W167-R183 PolarHBondContact O-N 2.8Å; W167-M352 HydrophobicContact CE3-CE 3.56Å; W167-M352 HydrophobicContact CZ3-CE 4.15Å
168E98.4Very high97.8Very high54 Ų5433.6 Ų33.625%0.25218%0.18SC..SBendtrans-158.2175.5-17768.5176.2125.700113.1S106 S109 W164 T165 G170S106-E168 WeakPolarHBondContact O-CG 3.24Å; S109-E168 VanDerWaalsContact CB-OE1 3.25Å; S109-E168 WeakPolarHBondContact CB-OE1 3.36Å; W164-E168 CarbonylContact C-O 3.54Å; W164-E168 PolarHBondContact O-N 2.98Å; T165-E168 PolarHBondContact N-O 2.81Å; E168-G170 PolarHBondContact O-N 3.21Å
169G97.3Very high97.7Very high10 Ų1039.8 Ų39.810%0.10322%0.218CC..  trans8010.617200000115.7R107 W164R107-G169 WeakPolarHBondContact CG-O 3.44Å; W164-G169 VanDerWaalsContact CD1-C 3.48Å; W164-G169 VanDerWaalsContact CD1-O 3.32Å; W164-G169 PolarHBondContact NE1-O 2.92Å
170G98.4Very high97.6Very high8 Ų840.4 Ų40.48%0.08222%0.224CC..SBendtrans-68.7179.2166.700000112.7E168 A172 G180 L181E168-G170 PolarHBondContact O-N 3.21Å; G170-A172 PolarHBondContact O-N 3.31Å; G170-G180 WeakPolarHBondContact O-CA 3.5Å; G170-L181 WeakPolarHBondContact CA-O 3.3Å; G170-L181 PolarHBondContact N-O 2.85Å
171P97.8Very high97.6Very high63 Ų6340.8 Ų40.841%0.40923%0.226SC..  trans-57.2125-177.5-26.535.7000113V173 L181 F278P171-V173 HydrophobicContact CB-CG2 4.06Å; P171-V173 PolarHBondContact O-N 2.94Å; P171-V173 VanDerWaalsContact O-N 3.12Å; P171-L181 PolarHBondContact O-N 3.27Å; P171-F278 HydrophobicContact CG-CD2 4.33Å
172A96.6Very high97.6Very high39 Ų3941.4 Ų41.432%0.32223%0.232SC..  trans-83.777.917400000110.6G170 W174 Y177 Q240G170-A172 PolarHBondContact O-N 3.31Å; A172-W174 PolarHBondContact O-N 3.5Å; A172-Y177 CarbonylContact C-O 3.55Å; A172-Y177 VanDerWaalsContact CA-O 3.28Å; A172-Y177 WeakPolarHBondContact CA-O 3.41Å; A172-Q240 PolarHBondContact O-NE2 3.35Å
173V96.5Very high97.6Very high39 Ų3945.9 Ų45.924%0.23625%0.249CC..  trans-82.6105.5-179.8-175.50000109P171 I176 Y177 D256P171-V173 HydrophobicContact CB-CG2 4.06Å; P171-V173 PolarHBondContact O-N 2.94Å; P171-V173 VanDerWaalsContact O-N 3.12Å; V173-I176 HydrophobicContact CB-CD1 4.32Å; V173-I176 HydrophobicContact CB-CG1 4Å; V173-I176 HydrophobicContact CG1-CD1 3.99Å; V173-I176 HydrophobicContact CG1-CG1 3.87Å; V173-I176 WeakPolarHBondContact O-CG1 3.4Å; V173-I176 PolarHBondContact O-N 3.44Å; V173-Y177 HydrophobicContact CB-CD2 4.07Å; V173-Y177 HydrophobicContact CG2-CD2 4.36Å; V173-Y177 PolarHBondContact O-N 3.12Å; V173-D256 HydrophobicContact CG1-CB 3.87Å; V173-D256 VanDerWaalsContact CG1-CG 3.42Å; V173-D256 WeakPolarHBondContact CG1-OD1 3.24Å
174W94.4Very high97.6Very high196 Ų19646 Ų4674%0.74225%0.25SC*.THydrogen-bonded Turntrans-75.8137.2178.7-176.5-95.8000111.8A172 P178A172-W174 PolarHBondContact O-N 3.5Å; W174-P178 HydrophobicContact CE3-CB 3.94Å; W174-P178 HydrophobicContact CZ3-CB 3.69Å
175P96.3Very high97.6Very high82 Ų8248 Ų4853%0.53226%0.26SS..THydrogen-bonded Turncis-93-00.337.1-35.9000114.1
176I97Very high97.6Very high42 Ų4252 Ų5222%0.21528%0.281CS..THydrogen-bonded Turntrans-75.2-30-166.156.7171.8000114.4V173 D256 H258V173-I176 HydrophobicContact CB-CD1 4.32Å; V173-I176 HydrophobicContact CB-CG1 4Å; V173-I176 HydrophobicContact CG1-CD1 3.99Å; V173-I176 HydrophobicContact CG1-CG1 3.87Å; V173-I176 WeakPolarHBondContact O-CG1 3.4Å; V173-I176 PolarHBondContact O-N 3.44Å; I176-D256 HydrophobicContact CD1-CB 3.94Å; I176-D256 HydrophobicContact CG1-CB 4.33Å; I176-H258 HydrophobicContact CG2-CB 4.4Å
177Y97Very high97.5Very high23 Ų2352.7 Ų52.79%0.0928%0.284CS..  trans-132.771176.4-48.6-54000109.8A172 V173 T179 G180 L181 F187 H258 L259A172-Y177 CarbonylContact C-O 3.55Å; A172-Y177 VanDerWaalsContact CA-O 3.28Å; A172-Y177 WeakPolarHBondContact CA-O 3.41Å; V173-Y177 HydrophobicContact CB-CD2 4.07Å; V173-Y177 HydrophobicContact CG2-CD2 4.36Å; V173-Y177 PolarHBondContact O-N 3.12Å; Y177-T179 PolarHBondContact O-N 2.8Å; Y177-G180 PolarHBondContact O-N 3.38Å; Y177-L181 HydrophobicContact CD1-CD1 4.32Å; Y177-L181 HydrophobicContact CD2-CB 4.26Å; Y177-L181 HydrophobicContact CD2-CD1 4.35Å; Y177-L181 HydrophobicContact CE1-CD1 4.16Å; Y177-L181 HydrophobicContact CE2-CD1 4.18Å; Y177-L181 HydrophobicContact CG-CB 4.4Å; Y177-L181 HydrophobicContact CG-CD1 4.45Å; Y177-F187 HydrophobicContact CD1-CE2 4.18Å; Y177-F187 AromaticContact CE1-CE2 3.46Å; Y177-F187 HydrophobicContact CE1-CE2 3.46Å; Y177-F187 VanDerWaalsContact CE1-CE2 3.46Å; Y177-F187 AromaticContact CE1-CZ 3.52Å; Y177-F187 HydrophobicContact CE1-CZ 3.52Å; Y177-F187 AromaticContact CZ-CZ 3.78Å; Y177-F187 WeakPolarHBondContact OH-CZ 3.31Å; Y177-H258 AromaticContact CE1-CD2 3.57Å; Y177-H258 AromaticContact CE1-NE2 3.39Å; Y177-H258 WeakPolarHBondContact CE1-NE2 3.29Å; Y177-L259 WeakPolarHBondContact OH-CD1 3.4Å; Y177-L259 WeakPolarHBondContact OH-CG 3.48Å; Y177-L259 PolarHBondContact OH-N 2.9Å
178P95.9Very high97.5Very high78 Ų7850.9 Ų50.951%0.50628%0.277SS..THydrogen-bonded Turntrans-62.3-28.1-171.426.3-35.1000113W174W174-P178 HydrophobicContact CE3-CB 3.94Å; W174-P178 HydrophobicContact CZ3-CB 3.69Å
179T96.2Very high97.6Very high131 Ų13152.8 Ų52.880%0.80429%0.286SS*.THydrogen-bonded Turntrans-102.213.2178.655.20000113.4Y177Y177-T179 PolarHBondContact O-N 2.8Å
180G97.8Very high97.6Very high12 Ų1255.3 Ų55.312%0.12430%0.298CS..  trans89.1143.6-17300000113.1G170 Y177 G182G170-G180 WeakPolarHBondContact O-CA 3.5Å; Y177-G180 PolarHBondContact O-N 3.38Å; G180-G182 PolarHBondContact O-N 2.9Å
181L98.4Very high97.7Very high13 Ų1355 Ų557%0.06829%0.294CS..SBendtrans-58.2133.8169.4-179.366000109.9T165 G170 P171 Y177 F187 L259 F278T165-L181 PolarHBondContact OG1-O 2.77Å; G170-L181 WeakPolarHBondContact CA-O 3.3Å; G170-L181 PolarHBondContact N-O 2.85Å; P171-L181 PolarHBondContact O-N 3.27Å; Y177-L181 HydrophobicContact CD1-CD1 4.32Å; Y177-L181 HydrophobicContact CD2-CB 4.26Å; Y177-L181 HydrophobicContact CD2-CD1 4.35Å; Y177-L181 HydrophobicContact CE1-CD1 4.16Å; Y177-L181 HydrophobicContact CE2-CD1 4.18Å; Y177-L181 HydrophobicContact CG-CB 4.4Å; Y177-L181 HydrophobicContact CG-CD1 4.45Å; L181-F187 HydrophobicContact CD1-CD2 3.85Å; L181-F187 HydrophobicContact CD1-CE2 3.44Å; L181-F187 VanDerWaalsContact CD1-CE2 3.44Å; L181-F187 HydrophobicContact CD1-CZ 4.18Å; L181-L259 HydrophobicContact CD1-CD1 4.5Å; L181-F278 HydrophobicContact CD2-CB 4.21Å
182G98.4Very high97.7Very high13 Ų1353.5 Ų53.513%0.13428%0.283CS..  trans-171.9-165.7-17300000111.3T165 W167 G180 W184T165-G182 WeakPolarHBondContact O-CA 3.41Å; W167-G182 CarbonylContact O-C 3.49Å; W167-G182 WeakPolarHBondContact O-CA 3.33Å; G180-G182 PolarHBondContact O-N 2.9Å; G182-W184 PolarHBondContact O-N 3.36Å
183R98.8Very high97.8Very high94 Ų9457.9 Ų57.936%0.35529%0.292SS..  trans46.860171.7-65.9-59.9-55.9-84.53.2112.6W167 D185 L186 F187W167-R183 VanDerWaalsContact CZ3-NE 3.34Å; W167-R183 PolarHBondContact O-N 2.8Å; R183-D185 VanDerWaalsContact CA-OD1 3.23Å; R183-D185 WeakPolarHBondContact CA-OD1 3.07Å; R183-D185 IonicContact CZ-OD1 3.76Å; R183-D185 IonicContact CZ-OD2 2.74Å; R183-D185 IonicContact NE-OD1 3.61Å; R183-D185 PolarHBondContact NE-OD1 2.04Å; R183-D185 IonicContact NE-OD2 2.63Å; R183-D185 PolarHBondContact NE-OD2 2.72Å; R183-D185 IonicContact NH2-OD1 3.79Å; R183-D185 IonicContact NH2-OD2 2.69Å; R183-D185 PolarHBondContact NH2-OD2 3.28Å; R183-D185 PolarHBondContact O-N 3.31Å; R183-L186 HydrophobicContact CB-CB 4.24Å; R183-L186 HydrophobicContact CB-CD1 4.1Å; R183-L186 HydrophobicContact CB-CG 4.16Å; R183-L186 HydrophobicContact CG-CD1 4.4Å; R183-L186 PolarHBondContact O-N 3.34Å; R183-F187 PolarHBondContact O-N 2.75Å
184W98.9Very high97.9Very high2 Ų256.4 Ų56.41%0.00828%0.283CS..Hα-helixtrans-55.4-36.8-179.7173.7-123.8000112F166 G182 L186 F187 R188 L191 K281 H282 L285 I346 L350F166-W184 HydrophobicContact CB-CB 4.39Å; F166-W184 HydrophobicContact CD1-CB 3.73Å; F166-W184 AromaticContact CD1-CD1 3.44Å; F166-W184 VanDerWaalsContact CD1-CD1 3.44Å; F166-W184 HydrophobicContact CD1-CD2 4.35Å; F166-W184 AromaticContact CD1-CG 3.56Å; F166-W184 HydrophobicContact CD1-CG 3.56Å; F166-W184 AromaticContact CE1-CD1 3.73Å; F166-W184 HydrophobicContact CE1-CD2 4.37Å; F166-W184 AromaticContact CE1-CG 4Å; F166-W184 HydrophobicContact CE1-CG 4Å; F166-W184 AromaticContact CE1-NE1 3.85Å; F166-W184 WeakPolarHBondContact O-CB 3.48Å; F166-W184 PolarHBondContact O-N 3.21Å; G182-W184 PolarHBondContact O-N 3.36Å; W184-L186 PolarHBondContact O-N 3.37Å; W184-F187 HydrophobicContact CE3-CB 4.34Å; W184-F187 PolarHBondContact O-N 3.23Å; W184-R188 HydrophobicContact CD2-CG 3.68Å; W184-R188 VanDerWaalsContact CE2-CG 3.44Å; W184-R188 HydrophobicContact CE3-CG 3.98Å; W184-R188 HydrophobicContact CG-CG 4.28Å; W184-R188 HydrophobicContact CH2-CG 3.88Å; W184-R188 HydrophobicContact CZ2-CG 3.56Å; W184-R188 HydrophobicContact CZ3-CG 4.06Å; W184-R188 WeakPolarHBondContact O-CB 3.5Å; W184-R188 WeakPolarHBondContact O-CD 3.44Å; W184-R188 WeakPolarHBondContact O-CG 3.33Å; W184-R188 PolarHBondContact O-N 2.74Å; W184-L191 HydrophobicContact CZ3-CD1 4.39Å; W184-K281 HydrophobicContact CD2-CD 4.07Å; W184-K281 HydrophobicContact CE3-CD 4Å; W184-K281 HydrophobicContact CH2-CB 4.11Å; W184-K281 HydrophobicContact CH2-CD 4.08Å; W184-K281 HydrophobicContact CH2-CG 4.07Å; W184-K281 HydrophobicContact CZ2-CB 4.44Å; W184-K281 HydrophobicContact CZ2-CD 4.15Å; W184-K281 HydrophobicContact CZ3-CD 4.02Å; W184-K281 HydrophobicContact CZ3-CG 4.07Å; W184-H282 AromaticContact CE3-NE2 3.89Å; W184-H282 AromaticContact CZ3-CD2 3.58Å; W184-H282 AromaticContact CZ3-NE2 3.9Å; W184-L285 HydrophobicContact CH2-CD1 3.32Å; W184-L285 HydrophobicContact CH2-CG 4.13Å; W184-L285 HydrophobicContact CZ2-CD1 3.88Å; W184-L285 HydrophobicContact CZ3-CD1 4.01Å; W184-I346 HydrophobicContact CH2-CG2 4Å; W184-I346 HydrophobicContact CZ2-CG2 3.76Å; W184-L350 HydrophobicContact CZ2-CD2 4.36Å; W184-L350 PolarHBondContact NE1-O 3.35Å
185D98.4Very high98.1Very high42 Ų4248 Ų4823%0.22526%0.256CS..Hα-helixtrans-50.5-51.1171.261.3-44000112.4R183 M352R183-D185 VanDerWaalsContact CA-OD1 3.23Å; R183-D185 WeakPolarHBondContact CA-OD1 3.07Å; R183-D185 IonicContact CZ-OD1 3.76Å; R183-D185 IonicContact CZ-OD2 2.74Å; R183-D185 IonicContact NE-OD1 3.61Å; R183-D185 PolarHBondContact NE-OD1 2.04Å; R183-D185 IonicContact NE-OD2 2.63Å; R183-D185 PolarHBondContact NE-OD2 2.72Å; R183-D185 IonicContact NH2-OD1 3.79Å; R183-D185 IonicContact NH2-OD2 2.69Å; R183-D185 PolarHBondContact NH2-OD2 3.28Å; R183-D185 PolarHBondContact O-N 3.31Å; D185-M352 HydrophobicContact CB-CB 4.38Å; D185-M352 HydrophobicContact CB-CG 4.4Å
186L98.6Very high98.2Very high87 Ų8748 Ų4846%0.45526%0.263SS..Hα-helixtrans-73.3-41.2178.9-56.9-176000112.2R183 W184 R188 E189 D190R183-L186 HydrophobicContact CB-CB 4.24Å; R183-L186 HydrophobicContact CB-CD1 4.1Å; R183-L186 HydrophobicContact CB-CG 4.16Å; R183-L186 HydrophobicContact CG-CD1 4.4Å; R183-L186 PolarHBondContact O-N 3.34Å; W184-L186 PolarHBondContact O-N 3.37Å; L186-R188 VanDerWaalsContact C-N 3.26Å; L186-R188 PolarHBondContact O-N 2.89Å; L186-E189 PolarHBondContact O-N 3.47Å; L186-E189 VanDerWaalsContact O-N 3.13Å; L186-D190 PolarHBondContact O-N 2.75Å; L186-D190 VanDerWaalsContact O-N 3.15Å
187F98.7Very high98.3Very high15 Ų1552.4 Ų52.47%0.06628%0.282CS..Hα-helixtrans-62.7-35-177.9-135.2-62000111.9Y177 L181 R183 W184 D190 L191 H258 L259 H282Y177-F187 HydrophobicContact CD1-CE2 4.18Å; Y177-F187 AromaticContact CE1-CE2 3.46Å; Y177-F187 HydrophobicContact CE1-CE2 3.46Å; Y177-F187 VanDerWaalsContact CE1-CE2 3.46Å; Y177-F187 AromaticContact CE1-CZ 3.52Å; Y177-F187 HydrophobicContact CE1-CZ 3.52Å; Y177-F187 AromaticContact CZ-CZ 3.78Å; Y177-F187 WeakPolarHBondContact OH-CZ 3.31Å; L181-F187 HydrophobicContact CD1-CD2 3.85Å; L181-F187 HydrophobicContact CD1-CE2 3.44Å; L181-F187 VanDerWaalsContact CD1-CE2 3.44Å; L181-F187 HydrophobicContact CD1-CZ 4.18Å; R183-F187 PolarHBondContact O-N 2.75Å; W184-F187 HydrophobicContact CE3-CB 4.34Å; W184-F187 PolarHBondContact O-N 3.23Å; F187-D190 PolarHBondContact O-N 3.17Å; F187-L191 HydrophobicContact CD1-CD1 3.64Å; F187-L191 HydrophobicContact CD1-CG 3.88Å; F187-L191 HydrophobicContact CE1-CD1 4.19Å; F187-L191 HydrophobicContact CE1-CD2 4.48Å; F187-L191 HydrophobicContact CE1-CG 4.21Å; F187-L191 WeakPolarHBondContact O-CB 3.49Å; F187-L191 WeakPolarHBondContact O-CD1 3.47Å; F187-L191 VanDerWaalsContact O-CG 3.31Å; F187-L191 WeakPolarHBondContact O-CG 3.37Å; F187-L191 PolarHBondContact O-N 2.63Å; F187-H258 AromaticContact CE1-CE1 3.9Å; F187-H258 AromaticContact CZ-CE1 3.48Å; F187-H258 VanDerWaalsContact CZ-CE1 3.48Å; F187-H258 WeakPolarHBondContact CZ-CE1 3.34Å; F187-H258 AromaticContact CZ-NE2 3.77Å; F187-L259 HydrophobicContact CE1-CB 3.76Å; F187-L259 HydrophobicContact CE1-CD1 4.15Å; F187-L259 HydrophobicContact CZ-CB 4.04Å; F187-L259 HydrophobicContact CZ-CD1 4.05Å; F187-H282 AromaticContact CD1-CD2 3.78Å
188R98.8Very high98.4Very high25 Ų2555.6 Ų55.69%0.09429%0.294CS..Hα-helixtrans-56.6-50.1173.4-75.7164.864.477.66.5111.1W184 L186 D190 L191 V192 L285 I346 R347 L350W184-R188 HydrophobicContact CD2-CG 3.68Å; W184-R188 VanDerWaalsContact CE2-CG 3.44Å; W184-R188 HydrophobicContact CE3-CG 3.98Å; W184-R188 HydrophobicContact CG-CG 4.28Å; W184-R188 HydrophobicContact CH2-CG 3.88Å; W184-R188 HydrophobicContact CZ2-CG 3.56Å; W184-R188 HydrophobicContact CZ3-CG 4.06Å; W184-R188 WeakPolarHBondContact O-CB 3.5Å; W184-R188 WeakPolarHBondContact O-CD 3.44Å; W184-R188 WeakPolarHBondContact O-CG 3.33Å; W184-R188 PolarHBondContact O-N 2.74Å; L186-R188 VanDerWaalsContact C-N 3.26Å; L186-R188 PolarHBondContact O-N 2.89Å; R188-D190 PolarHBondContact O-N 3.07Å; R188-L191 PolarHBondContact O-N 3.08Å; R188-V192 WeakPolarHBondContact O-CB 3.48Å; R188-V192 VanDerWaalsContact O-CG2 3.3Å; R188-V192 WeakPolarHBondContact O-CG2 3.42Å; R188-V192 PolarHBondContact O-N 2.89Å; R188-L285 HydrophobicContact CB-CD1 3.98Å; R188-L285 HydrophobicContact CG-CD1 3.65Å; R188-I346 PolarHBondContact NH1-O 3.04Å; R188-R347 PolarHBondContact NH2-O 2.9Å; R188-L350 PolarHBondContact NH1-O 3.29Å
189E98.8Very high98.6Very high95 Ų9554.7 Ų54.744%0.44429%0.288SS..Hα-helixtrans-63.2-41.7-178.6-64.1-53.2126.700112.1L186 V192 R193L186-E189 PolarHBondContact O-N 3.47Å; L186-E189 VanDerWaalsContact O-N 3.13Å; E189-V192 PolarHBondContact O-N 3.27Å; E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 WeakPolarHBondContact O-CG 3.45Å; E189-R193 PolarHBondContact O-N 3.1Å
190D98.8Very high98.7Very high63 Ų6349.1 Ų49.134%0.33725%0.252SS..Hα-helixtrans-61.8-44.2175-76.6-32.6000112.6L186 F187 R188 R193 S194 V260L186-D190 PolarHBondContact O-N 2.75Å; L186-D190 VanDerWaalsContact O-N 3.15Å; F187-D190 PolarHBondContact O-N 3.17Å; R188-D190 PolarHBondContact O-N 3.07Å; D190-R193 PolarHBondContact O-N 2.77Å; D190-R193 IonicContact OD1-CZ 3.76Å; D190-R193 IonicContact OD1-NE 3.8Å; D190-R193 IonicContact OD1-NH2 2.92Å; D190-R193 PolarHBondContact OD1-NH2 3.48Å; D190-S194 WeakPolarHBondContact O-CB 3.25Å; D190-S194 PolarHBondContact O-N 3.16Å; D190-V260 HydrophobicContact CB-CG1 3.9Å
191L98.9Very high98.7Very high0 Ų057.3 Ų57.30%029%0.285CS..Hα-helixtrans-67.9-41.3179.1-72.8164000111.8W184 F187 R188 R193 S194 A195 L259 V260 H282 L285W184-L191 HydrophobicContact CZ3-CD1 4.39Å; F187-L191 HydrophobicContact CD1-CD1 3.64Å; F187-L191 HydrophobicContact CD1-CG 3.88Å; F187-L191 HydrophobicContact CE1-CD1 4.19Å; F187-L191 HydrophobicContact CE1-CD2 4.48Å; F187-L191 HydrophobicContact CE1-CG 4.21Å; F187-L191 WeakPolarHBondContact O-CB 3.49Å; F187-L191 WeakPolarHBondContact O-CD1 3.47Å; F187-L191 VanDerWaalsContact O-CG 3.31Å; F187-L191 WeakPolarHBondContact O-CG 3.37Å; F187-L191 PolarHBondContact O-N 2.63Å; R188-L191 PolarHBondContact O-N 3.08Å; L191-R193 VanDerWaalsContact C-N 3.35Å; L191-R193 PolarHBondContact O-N 3.34Å; L191-S194 PolarHBondContact O-N 2.85Å; L191-A195 WeakPolarHBondContact O-CB 3.47Å; L191-A195 PolarHBondContact O-N 3.39Å; L191-L259 HydrophobicContact CD2-CB 4.4Å; L191-V260 HydrophobicContact CD2-CG1 4.24Å; L191-H282 HydrophobicContact CD1-CB 3.79Å; L191-L285 HydrophobicContact CB-CB 3.64Å; L191-L285 HydrophobicContact CB-CD1 4.44Å; L191-L285 HydrophobicContact CD1-CB 4.07Å; L191-L285 HydrophobicContact CD1-CD1 4.26Å; L191-L285 HydrophobicContact CG-CB 4.44Å
192V98.8Very high98.7Very high32 Ų3263.8 Ų63.819%0.19431%0.312CS..Hα-helixtrans-61.9-43.3175.6167.90000111R188 E189 A195 A196 R347R188-V192 WeakPolarHBondContact O-CB 3.48Å; R188-V192 VanDerWaalsContact O-CG2 3.3Å; R188-V192 WeakPolarHBondContact O-CG2 3.42Å; R188-V192 PolarHBondContact O-N 2.89Å; E189-V192 PolarHBondContact O-N 3.27Å; V192-A195 PolarHBondContact O-N 3.38Å; V192-A196 PolarHBondContact O-N 3.28Å; V192-A196 VanDerWaalsContact O-N 3.12Å; V192-R347 VanDerWaalsContact CG1-NH1 3.34Å
193R98.8Very high98.8Very high132 Ų13263.7 Ų63.750%0.49831%0.308SS..Hα-helixtrans-60.7-44.2173.1-77.3-171.5-70.1-88.95.3111.9E189 D190 L191 A196 Q197E189-R193 WeakPolarHBondContact O-CB 3.45Å; E189-R193 WeakPolarHBondContact O-CG 3.45Å; E189-R193 PolarHBondContact O-N 3.1Å; D190-R193 PolarHBondContact O-N 2.77Å; D190-R193 IonicContact OD1-CZ 3.76Å; D190-R193 IonicContact OD1-NE 3.8Å; D190-R193 IonicContact OD1-NH2 2.92Å; D190-R193 PolarHBondContact OD1-NH2 3.48Å; L191-R193 VanDerWaalsContact C-N 3.35Å; L191-R193 PolarHBondContact O-N 3.34Å; R193-A196 PolarHBondContact O-N 3.39Å; R193-Q197 PolarHBondContact O-N 2.73Å
194S98.8Very high98.8Very high8 Ų862.9 Ų62.96%0.05631%0.311CS..Hα-helixtrans-64.7-41.3177.5-174.80000112.3D190 L191 A196 Q197 W198 V260 C263D190-S194 WeakPolarHBondContact O-CB 3.25Å; D190-S194 PolarHBondContact O-N 3.16Å; L191-S194 PolarHBondContact O-N 2.85Å; S194-A196 VanDerWaalsContact C-N 3.28Å; S194-A196 PolarHBondContact O-N 2.73Å; S194-Q197 WeakPolarHBondContact O-CB 3.32Å; S194-Q197 PolarHBondContact O-N 2.89Å; S194-Q197 VanDerWaalsContact O-N 3.07Å; S194-W198 PolarHBondContact O-N 2.91Å; S194-V260 PolarHBondContact OG-O 3.1Å; S194-C263 WeakPolarHBondContact OG-CB 3.49Å
195A98.8Very high98.8Very high20 Ų2065.1 Ų65.117%0.16533%0.327CS..Hα-helixtrans-58.6-40.617600000112.1L191 V192 Q197 W198 L285 C286L191-A195 WeakPolarHBondContact O-CB 3.47Å; L191-A195 PolarHBondContact O-N 3.39Å; V192-A195 PolarHBondContact O-N 3.38Å; A195-Q197 VanDerWaalsContact C-N 3.29Å; A195-Q197 PolarHBondContact O-N 3.11Å; A195-W198 CarbonylContact O-C 3.57Å; A195-W198 PolarHBondContact O-N 3.09Å; A195-W198 VanDerWaalsContact O-N 3.07Å; A195-L285 VanDerWaalsContact CB-O 3.31Å; A195-L285 WeakPolarHBondContact CB-O 3.41Å; A195-C286 VanDerWaalsContact CB-C 3.49Å; A195-C286 WeakPolarHBondContact CB-O 3.32Å
196A98.7Very high98.8Very high82 Ų8264.2 Ų64.268%0.67832%0.323SS*.Hα-helixtrans-63.8-31.7176.100000113.1V192 R193 S194 W198V192-A196 PolarHBondContact O-N 3.28Å; V192-A196 VanDerWaalsContact O-N 3.12Å; R193-A196 PolarHBondContact O-N 3.39Å; S194-A196 VanDerWaalsContact C-N 3.28Å; S194-A196 PolarHBondContact O-N 2.73Å; A196-W198 VanDerWaalsContact C-N 3.29Å
197Q98.8Very high98.8Very high133 Ų13360 Ų6062%0.62130%0.301SS*.Hα-helixtrans-70.8-27173.6-63.3175.417.200112.5R193 S194 A195 P199R193-Q197 PolarHBondContact O-N 2.73Å; S194-Q197 WeakPolarHBondContact O-CB 3.32Å; S194-Q197 PolarHBondContact O-N 2.89Å; S194-Q197 VanDerWaalsContact O-N 3.07Å; A195-Q197 VanDerWaalsContact C-N 3.29Å; A195-Q197 PolarHBondContact O-N 3.11Å; Q197-P199 VanDerWaalsContact O-CD 3.23Å; Q197-P199 WeakPolarHBondContact O-CD 3.27Å
198W98.8Very high98.8Very high90 Ų9059.8 Ų59.834%0.34130%0.3SS..SBendtrans-118.766.6-175.3-64.5105.4000112S194 A195 A196 K203 C263 K264S194-W198 PolarHBondContact O-N 2.91Å; A195-W198 CarbonylContact O-C 3.57Å; A195-W198 PolarHBondContact O-N 3.09Å; A195-W198 VanDerWaalsContact O-N 3.07Å; A196-W198 VanDerWaalsContact C-N 3.29Å; W198-K203 HydrophobicContact CB-CG 4.23Å; W198-K203 WeakPolarHBondContact O-CE 3.29Å; W198-K203 WeakPolarHBondContact O-CG 3.36Å; W198-K203 PolarHBondContact O-NZ 2.71Å; W198-C263 WeakPolarHBondContact CB-O 3.49Å; W198-K264 HydrophobicContact CD2-CB 3.46Å; W198-K264 VanDerWaalsContact CD2-CB 3.46Å; W198-K264 VanDerWaalsContact CE2-CB 3.46Å; W198-K264 HydrophobicContact CE3-CB 3.74Å; W198-K264 HydrophobicContact CG-CB 3.97Å; W198-K264 HydrophobicContact CH2-CB 4.02Å; W198-K264 HydrophobicContact CZ2-CB 3.76Å; W198-K264 HydrophobicContact CZ2-CD 4.43Å; W198-K264 HydrophobicContact CZ3-CB 4.01Å
199P98.8Very high98.8Very high59 Ų5958.7 Ų58.738%0.38330%0.296SS..  trans-59.4150.8175.427.3-35.6000110.8Q197 K201 K202 K203Q197-P199 VanDerWaalsContact O-CD 3.23Å; Q197-P199 WeakPolarHBondContact O-CD 3.27Å; P199-K201 VanDerWaalsContact C-N 3.31Å; P199-K201 PolarHBondContact O-N 3Å; P199-K202 HydrophobicContact CG-CB 4.2Å; P199-K202 HydrophobicContact CG-CD 3.78Å; P199-K202 HydrophobicContact CG-CG 3.94Å; P199-K202 WeakPolarHBondContact O-CA 3.17Å; P199-K202 WeakPolarHBondContact O-CB 3.31Å; P199-K202 PolarHBondContact O-N 2.78Å; P199-K203 PolarHBondContact O-N 2.99Å
200W98.9Very high98.8Very high15 Ų1555.3 Ų55.36%0.05728%0.279CS..G310 helixtrans-42.9-49.9-169.9179.6-101.3000114.9K202 K203 K266 Y267 L289 D332 A335 Q336 A339W200-K202 PolarHBondContact O-N 3.06Å; W200-K203 HydrophobicContact CE3-CD 4.43Å; W200-K203 WeakPolarHBondContact O-CB 3.12Å; W200-K203 PolarHBondContact O-N 2.9Å; W200-K203 VanDerWaalsContact O-N 3.13Å; W200-K266 HydrophobicContact CH2-CB 4.46Å; W200-K266 HydrophobicContact CH2-CD 4.37Å; W200-K266 HydrophobicContact CH2-CG 4.45Å; W200-K266 HydrophobicContact CZ2-CD 3.96Å; W200-K266 HydrophobicContact CZ2-CG 4.47Å; W200-K266 VanDerWaalsContact O-CE 3.23Å; W200-K266 WeakPolarHBondContact O-CE 3.37Å; W200-Y267 HydrophobicContact CH2-CE1 4.39Å; W200-L289 HydrophobicContact CH2-CB 3.92Å; W200-L289 HydrophobicContact CZ3-CB 4.09Å; W200-D332 PolarHBondContact NE1-OD1 3.49Å; W200-D332 PolarHBondContact NE1-OD2 2.77Å; W200-A335 HydrophobicContact CH2-CB 4.07Å; W200-A335 HydrophobicContact CZ2-CB 3.88Å; W200-Q336 HydrophobicContact CB-CG 4.06Å; W200-Q336 HydrophobicContact CD2-CB 3.85Å; W200-Q336 HydrophobicContact CD2-CG 3.76Å; W200-Q336 HydrophobicContact CE3-CB 4.43Å; W200-Q336 HydrophobicContact CE3-CG 4.27Å; W200-Q336 HydrophobicContact CG-CB 4.06Å; W200-Q336 HydrophobicContact CG-CG 3.62Å; W200-Q336 HydrophobicContact CZ2-CB 4.09Å; W200-A339 HydrophobicContact CE3-CB 4.34Å; W200-A339 HydrophobicContact CH2-CB 4.41Å; W200-A339 HydrophobicContact CZ3-CB 3.72Å
201K98.7Very high98.8Very high184 Ų18452.5 Ų52.580%0.827%0.265SS*.G310 helixtrans-64.8-20.4-178.6-65.7-173.3178.4-1780114.4P199P199-K201 VanDerWaalsContact C-N 3.31Å; P199-K201 PolarHBondContact O-N 3Å
202K98.8Very high98.8Very high149 Ų14953.3 Ų53.365%0.64827%0.27SS*.G310 helixtrans-92-13.7176.9-67.7-171.4-177.1178.40113.5P199 W200P199-K202 HydrophobicContact CG-CB 4.2Å; P199-K202 HydrophobicContact CG-CD 3.78Å; P199-K202 HydrophobicContact CG-CG 3.94Å; P199-K202 WeakPolarHBondContact O-CA 3.17Å; P199-K202 WeakPolarHBondContact O-CB 3.31Å; P199-K202 PolarHBondContact O-N 2.78Å; W200-K202 PolarHBondContact O-N 3.06Å
203K98.9Very high98.8Very high10 Ų1055 Ų554%0.04327%0.273CS..SBendtrans-70.8144.4-178.5-64.8-176.8-171.5-59.80111.2W198 P199 W200 C263 K264 K266 C286 G287W198-K203 HydrophobicContact CB-CG 4.23Å; W198-K203 WeakPolarHBondContact O-CE 3.29Å; W198-K203 WeakPolarHBondContact O-CG 3.36Å; W198-K203 PolarHBondContact O-NZ 2.71Å; P199-K203 PolarHBondContact O-N 2.99Å; W200-K203 HydrophobicContact CE3-CD 4.43Å; W200-K203 WeakPolarHBondContact O-CB 3.12Å; W200-K203 PolarHBondContact O-N 2.9Å; W200-K203 VanDerWaalsContact O-N 3.13Å; K203-C263 PolarHBondContact NZ-O 3.1Å; K203-K264 CarbonylContact C-O 3.51Å; K203-K264 VanDerWaalsContact CA-O 3.27Å; K203-K264 WeakPolarHBondContact CA-O 3.28Å; K203-K266 HydrophobicContact CB-CB 4.31Å; K203-K266 HydrophobicContact CB-CG 3.44Å; K203-K266 VanDerWaalsContact CB-CG 3.44Å; K203-K266 HydrophobicContact CD-CG 4.34Å; K203-C286 PolarHBondContact NZ-O 3.43Å; K203-G287 WeakPolarHBondContact CE-O 3.3Å
204N98.8Very high98.8Very high78 Ų7851.1 Ų51.142%0.41726%0.264SS..BIsolated β-bridgetrans-70.5131.7177.4-174.4-22.4000111.3T206 K264 Y265 K266N204-T206 VanDerWaalsContact C-N 3.3Å; N204-T206 PolarHBondContact O-N 3.19Å; N204-T206 WeakPolarHBondContact OD1-CB 3.29Å; N204-T206 PolarHBondContact OD1-N 3.27Å; N204-T206 PolarHBondContact OD1-OG1 3.48Å; N204-K264 PolarHBondContact N-O 3.38Å; N204-Y265 HydrophobicContact CB-CD1 4Å; N204-Y265 HydrophobicContact CB-CE1 4.46Å; N204-K266 PolarHBondContact O-N 3.05Å
205S98.8Very high98.8Very high49 Ų4951.1 Ų51.134%0.34326%0.264SS..SBendtrans-837.3179.8-54.20000115.1Y267 K329S205-Y267 VanDerWaalsContact O-CE2 3.25Å; S205-Y267 WeakPolarHBondContact O-CE2 3.15Å; S205-K329 VanDerWaalsContact O-CE 3.24Å; S205-K329 WeakPolarHBondContact O-CE 3.28Å; S205-K329 PolarHBondContact O-NZ 2.61Å
206T98.9Very high98.8Very high22 Ų2254.2 Ų54.214%0.13528%0.282CS..SBendtrans-79.9127.6164.3-61.90000108.6N204 K230 D233 Y265N204-T206 VanDerWaalsContact C-N 3.3Å; N204-T206 PolarHBondContact O-N 3.19Å; N204-T206 WeakPolarHBondContact OD1-CB 3.29Å; N204-T206 PolarHBondContact OD1-N 3.27Å; N204-T206 PolarHBondContact OD1-OG1 3.48Å; T206-K230 PolarHBondContact OG1-O 3.34Å; T206-D233 HydrophobicContact CG2-CB 3.71Å; T206-Y265 WeakPolarHBondContact O-CD1 3.33Å
207A98.9Very high98.8Very high0 Ų052.7 Ų52.70%026%0.261CS..EExtended strand (participates in β ladder)trans-67.4148.3176.200000111.3L231 V232 D233 Y267 F269 L325A207-L231 PolarHBondContact N-O 2.05Å; A207-V232 HydrophobicContact CB-CG1 4.3Å; A207-V232 HydrophobicContact CB-CG2 4.25Å; A207-V232 CarbonylContact O-C 3.53Å; A207-V232 WeakPolarHBondContact O-CA 3.42Å; A207-D233 PolarHBondContact O-N 3.09Å; A207-Y267 CarbonylContact C-O 3.52Å; A207-Y267 WeakPolarHBondContact CA-O 3.43Å; A207-F269 HydrophobicContact CB-CD2 4.05Å; A207-F269 HydrophobicContact CB-CE2 3.57Å; A207-L325 HydrophobicContact CB-CD1 4.36Å; A207-L325 HydrophobicContact CB-CD2 3.9Å
208Y98.9Very high98.8Very high9 Ų946.6 Ų46.64%0.03523%0.233CC..EExtended strand (participates in β ladder)trans-131.4140.6-169.7-166.6-105.9000114.4R210 D233 H262 Y265 Y267 L268 F269Y208-R210 HydrophobicContact CE1-CB 4.42Å; Y208-R210 HydrophobicContact CE1-CG 3.88Å; Y208-R210 HydrophobicContact CE2-CG 4.35Å; Y208-R210 VanDerWaalsContact CE2-NH1 3.34Å; Y208-R210 WeakPolarHBondContact OH-CG 3.37Å; Y208-D233 WeakPolarHBondContact CA-O 3.37Å; Y208-D233 HydrophobicContact CD2-CB 3.96Å; Y208-D233 WeakPolarHBondContact CD2-O 3.46Å; Y208-D233 HydrophobicContact CE2-CB 4.44Å; Y208-D233 WeakPolarHBondContact CE2-OD2 3.15Å; Y208-H262 HydrophobicContact CD1-CB 4.48Å; Y208-H262 AromaticContact CD1-CD2 3.67Å; Y208-H262 AromaticContact CE1-CD2 3.65Å; Y208-H262 AromaticContact CE1-CE1 3.99Å; Y208-H262 AromaticContact CE1-CG 3.92Å; Y208-H262 AromaticContact CE1-NE2 3.71Å; Y208-Y265 VanDerWaalsContact CB-CG 3.5Å; Y208-Y265 AromaticContact CD1-CD2 3.78Å; Y208-Y265 HydrophobicContact CD1-CD2 3.78Å; Y208-Y265 AromaticContact CD1-CE2 3.88Å; Y208-Y265 HydrophobicContact CD1-CE2 3.88Å; Y208-Y265 HydrophobicContact CD1-CG 4.41Å; Y208-Y265 AromaticContact CD2-CD1 3.98Å; Y208-Y265 HydrophobicContact CD2-CD1 3.98Å; Y208-Y265 AromaticContact CD2-CD2 3.83Å; Y208-Y265 HydrophobicContact CD2-CD2 3.83Å; Y208-Y265 AromaticContact CD2-CE1 3.56Å; Y208-Y265 HydrophobicContact CD2-CE1 3.56Å; Y208-Y265 AromaticContact CD2-CE2 3.41Å; Y208-Y265 HydrophobicContact CD2-CE2 3.41Å; Y208-Y265 VanDerWaalsContact CD2-CE2 3.41Å; Y208-Y265 HydrophobicContact CD2-CG 4.09Å; Y208-Y265 AromaticContact CD2-CZ 3.25Å; Y208-Y265 HydrophobicContact CE1-CD2 4.29Å; Y208-Y265 AromaticContact CE1-CE2 3.98Å; Y208-Y265 HydrophobicContact CE1-CE2 3.98Å; Y208-Y265 HydrophobicContact CE2-CD2 4.32Å; Y208-Y265 HydrophobicContact CE2-CE1 4.15Å; Y208-Y265 AromaticContact CE2-CE2 3.52Å; Y208-Y265 HydrophobicContact CE2-CE2 3.52Å; Y208-Y265 AromaticContact CE2-CZ 3.41Å; Y208-Y265 VanDerWaalsContact CE2-CZ 3.41Å; Y208-Y265 VanDerWaalsContact CE2-OH 3.29Å; Y208-Y265 WeakPolarHBondContact CE2-OH 3.29Å; Y208-Y265 HydrophobicContact CG-CD1 4.06Å; Y208-Y265 AromaticContact CG-CD2 3.51Å; Y208-Y265 HydrophobicContact CG-CD2 3.51Å; Y208-Y265 HydrophobicContact CG-CE1 4.1Å; Y208-Y265 AromaticContact CG-CE2 3.58Å; Y208-Y265 HydrophobicContact CG-CE2 3.58Å; Y208-Y265 AromaticContact CG-CG 3.76Å; Y208-Y265 HydrophobicContact CG-CG 3.76Å; Y208-Y265 AromaticContact CG-CZ 3.87Å; Y208-Y265 AromaticContact CZ-CE2 3.79Å; Y208-Y267 PolarHBondContact N-O 2.96Å; Y208-L268 HydrophobicContact CD1-CD2 4.34Å; Y208-F269 PolarHBondContact O-N 3.3Å
209F98.9Very high98.8Very high3 Ų343.3 Ų43.31%0.01322%0.222CC..EExtended strand (participates in β ladder)trans-151.5134.3168.8177.4-94.2000111.6L221 I222 D233 A234 E235 F269 F271F209-L221 HydrophobicContact CB-CD2 4.03Å; F209-L221 HydrophobicContact CG-CD2 4.48Å; F209-I222 HydrophobicContact CD1-CD1 4.01Å; F209-I222 HydrophobicContact CE1-CD1 4.35Å; F209-D233 PolarHBondContact N-O 3.31Å; F209-A234 HydrophobicContact CB-CB 3.82Å; F209-A234 HydrophobicContact CD1-CB 4.48Å; F209-A234 WeakPolarHBondContact O-CA 3.32Å; F209-E235 PolarHBondContact O-N 3.21Å; F209-F269 HydrophobicContact CB-CB 4.4Å; F209-F269 HydrophobicContact CD2-CB 4.46Å; F209-F271 HydrophobicContact CD2-CD2 4.15Å; F209-F271 HydrophobicContact CD2-CE2 4.31Å; F209-F271 AromaticContact CE2-CD2 3.96Å; F209-F271 HydrophobicContact CE2-CD2 3.96Å; F209-F271 HydrophobicContact CE2-CE2 4.5Å
210R98.9Very high98.8Very high24 Ų2443 Ų439%0.09122%0.22CC..EExtended strand (participates in β ladder)trans-132.3128.5162.3-72.5-64.1-178.6-75.85.6109.9Y208 D233 E235 T237 V257 R279Y208-R210 HydrophobicContact CE1-CB 4.42Å; Y208-R210 HydrophobicContact CE1-CG 3.88Å; Y208-R210 HydrophobicContact CE2-CG 4.35Å; Y208-R210 VanDerWaalsContact CE2-NH1 3.34Å; Y208-R210 WeakPolarHBondContact OH-CG 3.37Å; R210-D233 IonicContact CZ-OD1 2.77Å; R210-D233 PolarHBondContact NH1-O 3Å; R210-D233 VanDerWaalsContact NH1-O 3.16Å; R210-D233 IonicContact NH1-OD1 3.38Å; R210-D233 PolarHBondContact NH1-OD1 2.73Å; R210-D233 IonicContact NH2-OD1 3Å; R210-D233 PolarHBondContact NH2-OD1 3.27Å; R210-D233 IonicContact NH2-OD2 3.37Å; R210-E235 IonicContact CZ-OE2 2.7Å; R210-E235 VanDerWaalsContact CZ-OE2 3.29Å; R210-E235 IonicContact NE-OE2 3.67Å; R210-E235 PolarHBondContact NE-OE2 3.24Å; R210-E235 IonicContact NH2-OE1 3.29Å; R210-E235 IonicContact NH2-OE2 2.76Å; R210-E235 PolarHBondContact NH2-OE2 3.44Å; R210-T237 HydrophobicContact CB-CG2 4.33Å; R210-V257 HydrophobicContact CB-CB 4.49Å; R210-V257 HydrophobicContact CG-CB 4.25Å; R210-V257 HydrophobicContact CG-CG2 4.03Å; R210-R279 PolarHBondContact O-NH2 3.33Å
211G98.6Very high98.8Very high4 Ų442.3 Ų42.34%0.04122%0.217CC..EExtended strand (participates in β ladder)trans173.1165.7175.800000111.5Y236 T237G211-Y236 WeakPolarHBondContact O-CA 3.2Å; G211-Y236 WeakPolarHBondContact O-CD1 3.15Å; G211-T237 PolarHBondContact O-N 3.08Å; G211-T237 VanDerWaalsContact O-N 3.09Å
212S98.6Very high98.8Very high16 Ų1633.7 Ų33.711%0.11218%0.18CC..  trans-79.4167.6-179.368.50000113.9T214 R218 T237 N239S212-T214 VanDerWaalsContact C-N 3.32Å; S212-T214 PolarHBondContact O-N 3.24Å; S212-T214 WeakPolarHBondContact OG-CG2 3.39Å; S212-R218 PolarHBondContact O-NH1 3.06Å; S212-T237 WeakPolarHBondContact CA-O 3.09Å; S212-T237 WeakPolarHBondContact CB-O 3.28Å; S212-T237 PolarHBondContact N-OG1 2.98Å; S212-N239 WeakPolarHBondContact CB-ND2 3.03Å; S212-N239 PolarHBondContact OG-ND2 2.99Å
213R98.6Very high98.8Very high68 Ų6830.8 Ų30.826%0.25717%0.171SC..  trans-8066.5177.7-167.9169.3-176.3-96.1-2.2113.2D219 Y236 D247R213-D219 IonicContact CZ-OD1 2.94Å; R213-D219 IonicContact CZ-OD2 3.66Å; R213-D219 IonicContact NE-OD1 3.59Å; R213-D219 PolarHBondContact NE-OD1 2.78Å; R213-D219 IonicContact NE-OD2 2.79Å; R213-D219 PolarHBondContact NE-OD2 3.32Å; R213-D219 IonicContact NH2-OD1 2.72Å; R213-D219 IonicContact NH2-OD2 3.7Å; R213-D219 PolarHBondContact NH2-OD2 2.86Å; R213-Y236 VanDerWaalsContact CA-CE1 3.47Å; R213-Y236 HydrophobicContact CB-CD1 3.8Å; R213-Y236 HydrophobicContact CB-CD2 4.23Å; R213-Y236 HydrophobicContact CB-CE1 3.59Å; R213-Y236 HydrophobicContact CB-CE2 4Å; R213-Y236 HydrophobicContact CB-CG 4.14Å; R213-Y236 HydrophobicContact CG-CE1 3.95Å; R213-Y236 HydrophobicContact CG-CE2 3.85Å; R213-D247 WeakPolarHBondContact CB-O 3.48Å
214T98.3Very high98.8Very high51 Ų5131.1 Ų31.131%0.31317%0.173SC..SBendtrans-83.6-9.7176.551.20000114.1S212 R218 G273S212-T214 VanDerWaalsContact C-N 3.32Å; S212-T214 PolarHBondContact O-N 3.24Å; S212-T214 WeakPolarHBondContact OG-CG2 3.39Å; T214-R218 PolarHBondContact OG1-NH1 3.24Å; T214-R218 PolarHBondContact OG1-NH2 3.39Å; T214-R218 VanDerWaalsContact OG1-NH2 3.1Å; T214-G273 CarbonylContact O-C 3.59Å; T214-G273 WeakPolarHBondContact OG1-CA 3.47Å
215S98.6Very high98.8Very high7 Ų727.9 Ų27.95%0.04916%0.156CC..SBendtrans-147.5138.4169.1172.60000108.7E217 R218S215-E217 PolarHBondContact O-N 3.15Å; S215-E217 PolarHBondContact OG-N 3.29Å; S215-R218 PolarHBondContact O-N 3.4Å
216P98.5Very high98.8Very high85 Ų8530 Ų3055%0.55216%0.157SC*.G310 helixtrans-61.6-20172.3-21.833.8000114.1R218 D219P216-R218 PolarHBondContact O-N 3.07Å; P216-D219 WeakPolarHBondContact O-CB 3.06Å; P216-D219 VanDerWaalsContact O-CG 3.24Å; P216-D219 PolarHBondContact O-N 3.34Å
217E98.8Very high98.8Very high50 Ų5037.4 Ų37.423%0.23419%0.187CC..G310 helixtrans-60.1-16.6176.5-70.7171.3-147.200113.3S215 P220 F271 R272 T316S215-E217 PolarHBondContact O-N 3.15Å; S215-E217 PolarHBondContact OG-N 3.29Å; E217-P220 WeakPolarHBondContact O-CD 3.46Å; E217-F271 WeakPolarHBondContact O-CE1 3.46Å; E217-R272 WeakPolarHBondContact OE1-CD 3.44Å; E217-R272 IonicContact OE1-NH1 3.36Å; E217-R272 VanDerWaalsContact OE2-CD 3.24Å; E217-R272 WeakPolarHBondContact OE2-CD 3.15Å; E217-R272 VanDerWaalsContact OE2-CG 3.28Å; E217-R272 WeakPolarHBondContact OE2-CG 3.13Å; E217-T316 HydrophobicContact CG-CG2 4.17Å
218R98.9Very high98.7Very high6 Ų640.6 Ų40.62%0.02320%0.204CC..G310 helixtrans-78.2-21.2173.6-66.3171.8-172.4-165.2-1.8112.9S212 T214 S215 P216 P220 L221 I222 Y236 F271 R272S212-R218 PolarHBondContact O-NH1 3.06Å; T214-R218 PolarHBondContact OG1-NH1 3.24Å; T214-R218 PolarHBondContact OG1-NH2 3.39Å; T214-R218 VanDerWaalsContact OG1-NH2 3.1Å; S215-R218 PolarHBondContact O-N 3.4Å; P216-R218 PolarHBondContact O-N 3.07Å; R218-P220 VanDerWaalsContact C-CD 3.49Å; R218-L221 PolarHBondContact O-N 3.21Å; R218-I222 PolarHBondContact O-N 2.92Å; R218-Y236 VanDerWaalsContact C-OH 3.29Å; R218-Y236 HydrophobicContact CB-CE1 3.9Å; R218-Y236 WeakPolarHBondContact CB-OH 3.29Å; R218-F271 HydrophobicContact CB-CD1 4.47Å; R218-F271 HydrophobicContact CG-CB 3.69Å; R218-F271 HydrophobicContact CG-CD1 3.81Å; R218-F271 HydrophobicContact CG-CD2 4.1Å; R218-F271 HydrophobicContact CG-CE1 4.4Å; R218-F271 HydrophobicContact CG-CG 3.64Å; R218-R272 VanDerWaalsContact CZ-O 3.28Å; R218-R272 PolarHBondContact NE-O 2.82Å; R218-R272 PolarHBondContact NH2-O 3.07Å
219D98.8Very high98.7Very high21 Ų2144.4 Ų44.411%0.11223%0.23CC..Hα-helixtrans-57.4-43.8-172.3-69.5-18.5000113.8R213 P216 L221 I222 L223 Y236 L249R213-D219 IonicContact CZ-OD1 2.94Å; R213-D219 IonicContact CZ-OD2 3.66Å; R213-D219 IonicContact NE-OD1 3.59Å; R213-D219 PolarHBondContact NE-OD1 2.78Å; R213-D219 IonicContact NE-OD2 2.79Å; R213-D219 PolarHBondContact NE-OD2 3.32Å; R213-D219 IonicContact NH2-OD1 2.72Å; R213-D219 IonicContact NH2-OD2 3.7Å; R213-D219 PolarHBondContact NH2-OD2 2.86Å; P216-D219 WeakPolarHBondContact O-CB 3.06Å; P216-D219 VanDerWaalsContact O-CG 3.24Å; P216-D219 PolarHBondContact O-N 3.34Å; D219-L221 PolarHBondContact O-N 2.9Å; D219-I222 PolarHBondContact O-N 3.5Å; D219-I222 VanDerWaalsContact O-N 3.12Å; D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 3.41Å; D219-Y236 WeakPolarHBondContact CA-OH 3.42Å; D219-Y236 PolarHBondContact N-OH 3.32Å; D219-Y236 VanDerWaalsContact N-OH 3.13Å; D219-Y236 VanDerWaalsContact OD1-CE2 3.31Å; D219-Y236 WeakPolarHBondContact OD1-CE2 3.14Å; D219-Y236 VanDerWaalsContact OD1-CZ 3.32Å; D219-Y236 PolarHBondContact OD1-OH 2.52Å; D219-L249 HydrophobicContact CB-CD2 4.28Å
220P98.9Very high98.7Very high52 Ų5252.8 Ų52.834%0.33827%0.267SS..Hα-helixtrans-60.3-32.9-177.8-23.634.9000112.8E217 R218 L224 L318E217-P220 WeakPolarHBondContact O-CD 3.46Å; R218-P220 VanDerWaalsContact C-CD 3.49Å; P220-L224 VanDerWaalsContact O-CB 3.28Å; P220-L224 WeakPolarHBondContact O-CB 3.2Å; P220-L224 PolarHBondContact O-N 3.41Å; P220-L318 HydrophobicContact CB-CB 4.04Å; P220-L318 HydrophobicContact CB-CD2 4.04Å
221L98.9Very high98.6Very high1 Ų152.6 Ų52.61%0.00527%0.267CS..Hα-helixtrans-70.6-41.6177-166.167.5000111.9F209 R218 D219 L223 L224 S225 V232 A234 F269 F271 L318 V321F209-L221 HydrophobicContact CB-CD2 4.03Å; F209-L221 HydrophobicContact CG-CD2 4.48Å; R218-L221 PolarHBondContact O-N 3.21Å; D219-L221 PolarHBondContact O-N 2.9Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L224 PolarHBondContact O-N 3.37Å; L221-S225 PolarHBondContact O-N 3.24Å; L221-V232 HydrophobicContact CD1-CG1 3.78Å; L221-V232 HydrophobicContact CD1-CG2 4.27Å; L221-V232 HydrophobicContact CD2-CG1 4.46Å; L221-V232 HydrophobicContact CG-CG1 3.94Å; L221-A234 HydrophobicContact CD2-CB 3.95Å; L221-A234 HydrophobicContact CG-CB 3.89Å; L221-F269 HydrophobicContact CD1-CD1 4.12Å; L221-F269 HydrophobicContact CD1-CE1 3.91Å; L221-F269 HydrophobicContact CD1-CE2 4.43Å; L221-F269 HydrophobicContact CD1-CG 4.45Å; L221-F269 HydrophobicContact CD1-CZ 4.08Å; L221-F269 HydrophobicContact CD2-CB 3.78Å; L221-F269 HydrophobicContact CD2-CD1 3.73Å; L221-F269 HydrophobicContact CD2-CD2 4.16Å; L221-F269 HydrophobicContact CD2-CE1 4.37Å; L221-F269 HydrophobicContact CD2-CG 3.6Å; L221-F271 HydrophobicContact CB-CE2 4.41Å; L221-F271 HydrophobicContact CB-CZ 3.8Å; L221-F271 HydrophobicContact CD2-CE2 3.49Å; L221-F271 VanDerWaalsContact CD2-CE2 3.49Å; L221-F271 HydrophobicContact CD2-CZ 3.64Å; L221-F271 HydrophobicContact CG-CZ 4.27Å; L221-L318 HydrophobicContact CB-CD2 3.57Å; L221-L318 HydrophobicContact CD1-CD2 4.01Å; L221-L318 HydrophobicContact CG-CD2 4.36Å; L221-V321 HydrophobicContact CD1-CG2 4.46Å
222I98.9Very high98.6Very high2 Ų252.4 Ų52.41%0.0127%0.265CS..Hα-helixtrans-64.3-42.3177.2-55-50000110.2F209 R218 D219 S225 R226 A234 Y236F209-I222 HydrophobicContact CD1-CD1 4.01Å; F209-I222 HydrophobicContact CE1-CD1 4.35Å; R218-I222 PolarHBondContact O-N 2.92Å; D219-I222 PolarHBondContact O-N 3.5Å; D219-I222 VanDerWaalsContact O-N 3.12Å; I222-S225 PolarHBondContact O-N 3.34Å; I222-R226 VanDerWaalsContact O-CG 3.29Å; I222-R226 WeakPolarHBondContact O-CG 3.32Å; I222-R226 PolarHBondContact O-N 2.87Å; I222-A234 VanDerWaalsContact CD1-C 3.49Å; I222-A234 HydrophobicContact CD1-CB 3.74Å; I222-A234 WeakPolarHBondContact CD1-O 3.4Å; I222-Y236 HydrophobicContact CB-CD2 4.4Å; I222-Y236 HydrophobicContact CB-CE2 4.14Å; I222-Y236 HydrophobicContact CD1-CD1 4.4Å; I222-Y236 HydrophobicContact CD1-CE1 4.37Å; I222-Y236 HydrophobicContact CG1-CD1 4.21Å; I222-Y236 HydrophobicContact CG1-CD2 3.86Å; I222-Y236 HydrophobicContact CG1-CE1 3.9Å; I222-Y236 HydrophobicContact CG1-CE2 3.55Å; I222-Y236 HydrophobicContact CG1-CG 4.17Å; I222-Y236 HydrophobicContact CG2-CD2 4.06Å; I222-Y236 HydrophobicContact CG2-CE2 4.25Å
223L98.8Very high98.7Very high89 Ų8953.5 Ų53.547%0.46627%0.27SS..Hα-helixtrans-65.4-39.9175.5-67.5174.8000111.8D219 L221 R226 K227 L249D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 3.41Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L223-R226 PolarHBondContact O-N 2.02Å; L223-K227 WeakPolarHBondContact O-CB 3.23Å; L223-K227 PolarHBondContact O-N 3.04Å; L223-L249 HydrophobicContact CD1-CD2 4.33Å; L223-L249 HydrophobicContact CD2-CD2 3.61Å; L223-L249 HydrophobicContact CG-CD2 3.77Å
224L98.8Very high98.7Very high17 Ų1750.3 Ų50.39%0.08926%0.258CS..Hα-helixtrans-62.5-42.5173.9179.159.8000111.7P220 L221 K227 N228 L231 V232 V321 Q322P220-L224 VanDerWaalsContact O-CB 3.28Å; P220-L224 WeakPolarHBondContact O-CB 3.2Å; P220-L224 PolarHBondContact O-N 3.41Å; L221-L224 PolarHBondContact O-N 3.37Å; L224-K227 PolarHBondContact O-N 2.84Å; L224-N228 PolarHBondContact O-N 2.81Å; L224-L231 HydrophobicContact CD1-CD2 4.41Å; L224-L231 HydrophobicContact CD2-CD2 4.46Å; L224-V232 HydrophobicContact CD2-CG2 3.85Å; L224-V232 HydrophobicContact CG-CG2 4.05Å; L224-V321 HydrophobicContact CD2-CG1 3.67Å; L224-Q322 HydrophobicContact CD1-CG 4.11Å; L224-Q322 HydrophobicContact CD2-CG 3.94Å
225S98.9Very high98.7Very high9 Ų952 Ų526%0.06326%0.262CS..Hα-helixtrans-61.4-44.2175.9179.50000112L221 I222 K227 N228 P229 V232 A234L221-S225 PolarHBondContact O-N 3.24Å; I222-S225 PolarHBondContact O-N 3.34Å; S225-K227 VanDerWaalsContact C-N 3.27Å; S225-K227 PolarHBondContact O-N 2.88Å; S225-N228 CarbonylContact O-C 3.29Å; S225-N228 VanDerWaalsContact O-C 3.29Å; S225-N228 PolarHBondContact O-N 3.02Å; S225-P229 VanDerWaalsContact O-CA 3.23Å; S225-P229 WeakPolarHBondContact O-CA 3.31Å; S225-P229 WeakPolarHBondContact O-CD 3.24Å; S225-V232 VanDerWaalsContact CA-O 3.3Å; S225-V232 WeakPolarHBondContact CA-O 3.35Å; S225-V232 WeakPolarHBondContact CB-O 3.46Å; S225-V232 PolarHBondContact OG-O 3.32Å; S225-A234 WeakPolarHBondContact CB-O 3.28Å; S225-A234 PolarHBondContact OG-N 3.27Å; S225-A234 PolarHBondContact OG-O 3.24Å
226R98.6Very high98.7Very high94 Ų9452 Ų5236%0.35526%0.261SS..Hα-helixtrans-61.1-36.2175-68.8166.7-175.8-170.8-0.2112.6I222 L223 T248 L249I222-R226 VanDerWaalsContact O-CG 3.29Å; I222-R226 WeakPolarHBondContact O-CG 3.32Å; I222-R226 PolarHBondContact O-N 2.87Å; L223-R226 PolarHBondContact O-N 2.02Å; R226-T248 PolarHBondContact NH2-O 3.03Å; R226-L249 PolarHBondContact NH1-O 3.24Å; R226-L249 PolarHBondContact NH2-O 3.26Å; R226-L249 VanDerWaalsContact NH2-O 3.17Å
227K98.7Very high98.7Very high178 Ų17848.2 Ų48.277%0.77424%0.237SC*.Hα-helixtrans-76.6-38.2178.6-174.2179.4179.2179.90112.3L223 L224 S225L223-K227 WeakPolarHBondContact O-CB 3.23Å; L223-K227 PolarHBondContact O-N 3.04Å; L224-K227 PolarHBondContact O-N 2.84Å; S225-K227 VanDerWaalsContact C-N 3.27Å; S225-K227 PolarHBondContact O-N 2.88Å
228N98.5Very high98.7Very high66 Ų6650.6 Ų50.635%0.35325%0.246SC..  trans-141.677.7-175.1-168.5-12.9000111.2L224 S225 K230 L231 V232L224-N228 PolarHBondContact O-N 2.81Å; S225-N228 CarbonylContact O-C 3.29Å; S225-N228 VanDerWaalsContact O-C 3.29Å; S225-N228 PolarHBondContact O-N 3.02Å; N228-K230 PolarHBondContact O-N 2.7Å; N228-L231 HydrophobicContact CB-CB 4.11Å; N228-L231 WeakPolarHBondContact O-CB 3.33Å; N228-L231 PolarHBondContact O-N 3.38Å; N228-L231 PolarHBondContact OD1-N 3.04Å; N228-V232 PolarHBondContact O-N 3.44Å; N228-V232 VanDerWaalsContact O-N 3.17Å
229P98.2Very high98.5Very high90 Ų9053.1 Ų53.158%0.58426%0.26SS*.THydrogen-bonded Turntrans-67.1-21.4-173.324.7-34.5000113.5S225 L231 V232S225-P229 VanDerWaalsContact O-CA 3.23Å; S225-P229 WeakPolarHBondContact O-CA 3.31Å; S225-P229 WeakPolarHBondContact O-CD 3.24Å; P229-L231 VanDerWaalsContact C-N 3.34Å; P229-V232 CarbonylContact C-O 3.44Å; P229-V232 WeakPolarHBondContact CA-O 3.06Å
230K98.1Very high98.1Very high179 Ų17960.3 Ų60.378%0.77829%0.293SS*.THydrogen-bonded Turntrans-73.5-29174.4-165.2177.7-177.2178.60111.8T206 N228T206-K230 PolarHBondContact OG1-O 3.34Å; N228-K230 PolarHBondContact O-N 2.7Å
231L98.5Very high97.8Very high20 Ų2061.2 Ų61.211%0.10531%0.305CS..THydrogen-bonded Turntrans-80.1-47.4177.6-178.361.5000111.5A207 L224 N228 P229 Q322 L325A207-L231 PolarHBondContact N-O 2.05Å; L224-L231 HydrophobicContact CD1-CD2 4.41Å; L224-L231 HydrophobicContact CD2-CD2 4.46Å; N228-L231 HydrophobicContact CB-CB 4.11Å; N228-L231 WeakPolarHBondContact O-CB 3.33Å; N228-L231 PolarHBondContact O-N 3.38Å; N228-L231 PolarHBondContact OD1-N 3.04Å; P229-L231 VanDerWaalsContact C-N 3.34Å; L231-Q322 HydrophobicContact CD2-CG 4.13Å; L231-L325 HydrophobicContact CD1-CB 4.13Å; L231-L325 HydrophobicContact CD1-CD1 3.97Å; L231-L325 HydrophobicContact CD2-CD1 4.38Å; L231-L325 HydrophobicContact CG-CD1 4Å
232V98.8Very high97.6Very high0 Ų065.2 Ų65.20%032%0.32CS..EExtended strand (participates in β ladder)trans-136.1132.3-177.2-171.90000109.9A207 L221 L224 S225 N228 P229 A234 L325A207-V232 HydrophobicContact CB-CG1 4.3Å; A207-V232 HydrophobicContact CB-CG2 4.25Å; A207-V232 CarbonylContact O-C 3.53Å; A207-V232 WeakPolarHBondContact O-CA 3.42Å; L221-V232 HydrophobicContact CD1-CG1 3.78Å; L221-V232 HydrophobicContact CD1-CG2 4.27Å; L221-V232 HydrophobicContact CD2-CG1 4.46Å; L221-V232 HydrophobicContact CG-CG1 3.94Å; L224-V232 HydrophobicContact CD2-CG2 3.85Å; L224-V232 HydrophobicContact CG-CG2 4.05Å; S225-V232 VanDerWaalsContact CA-O 3.3Å; S225-V232 WeakPolarHBondContact CA-O 3.35Å; S225-V232 WeakPolarHBondContact CB-O 3.46Å; S225-V232 PolarHBondContact OG-O 3.32Å; N228-V232 PolarHBondContact O-N 3.44Å; N228-V232 VanDerWaalsContact O-N 3.17Å; P229-V232 CarbonylContact C-O 3.44Å; P229-V232 WeakPolarHBondContact CA-O 3.06Å; V232-A234 HydrophobicContact CG1-CB 3.63Å; V232-L325 HydrophobicContact CG2-CD1 3.95Å
233D98.9Very high97.4Very high38 Ų3873.8 Ų73.820%0.20336%0.357CS..EExtended strand (participates in β ladder)trans-110.188.4168.1176.64.2000108.1T206 A207 Y208 F209 R210 Y265T206-D233 HydrophobicContact CG2-CB 3.71Å; A207-D233 PolarHBondContact O-N 3.09Å; Y208-D233 WeakPolarHBondContact CA-O 3.37Å; Y208-D233 HydrophobicContact CD2-CB 3.96Å; Y208-D233 WeakPolarHBondContact CD2-O 3.46Å; Y208-D233 HydrophobicContact CE2-CB 4.44Å; Y208-D233 WeakPolarHBondContact CE2-OD2 3.15Å; F209-D233 PolarHBondContact N-O 3.31Å; R210-D233 IonicContact CZ-OD1 2.77Å; R210-D233 PolarHBondContact NH1-O 3Å; R210-D233 VanDerWaalsContact NH1-O 3.16Å; R210-D233 IonicContact NH1-OD1 3.38Å; R210-D233 PolarHBondContact NH1-OD1 2.73Å; R210-D233 IonicContact NH2-OD1 3Å; R210-D233 PolarHBondContact NH2-OD1 3.27Å; R210-D233 IonicContact NH2-OD2 3.37Å; D233-Y265 PolarHBondContact OD2-OH 2.89Å
234A98.9Very high97.3Very high1 Ų172 Ų721%0.00835%0.352CS..EExtended strand (participates in β ladder)trans-131.9119-176.900000110.4F209 L221 I222 S225 V232F209-A234 HydrophobicContact CB-CB 3.82Å; F209-A234 HydrophobicContact CD1-CB 4.48Å; F209-A234 WeakPolarHBondContact O-CA 3.32Å; L221-A234 HydrophobicContact CD2-CB 3.95Å; L221-A234 HydrophobicContact CG-CB 3.89Å; I222-A234 VanDerWaalsContact CD1-C 3.49Å; I222-A234 HydrophobicContact CD1-CB 3.74Å; I222-A234 WeakPolarHBondContact CD1-O 3.4Å; S225-A234 WeakPolarHBondContact CB-O 3.28Å; S225-A234 PolarHBondContact OG-N 3.27Å; S225-A234 PolarHBondContact OG-O 3.24Å; V232-A234 HydrophobicContact CG1-CB 3.63Å
235E98.9Very high97.2Very high88 Ų8876.5 Ų76.541%0.41137%0.374SS..EExtended strand (participates in β ladder)trans-136.6148.4-177.1-58.6-179.2150.500112.1F209 R210 A254F209-E235 PolarHBondContact O-N 3.21Å; R210-E235 IonicContact CZ-OE2 2.7Å; R210-E235 VanDerWaalsContact CZ-OE2 3.29Å; R210-E235 IonicContact NE-OE2 3.67Å; R210-E235 PolarHBondContact NE-OE2 3.24Å; R210-E235 IonicContact NH2-OE1 3.29Å; R210-E235 IonicContact NH2-OE2 2.76Å; R210-E235 PolarHBondContact NH2-OE2 3.44Å; E235-A254 HydrophobicContact CB-CB 3.6Å; E235-A254 VanDerWaalsContact OE2-CB 3.29Å; E235-A254 WeakPolarHBondContact OE2-CB 3.5Å
236Y98.9Very high97.2Very high6 Ų683.4 Ų83.42%0.02440%0.403CS..EExtended strand (participates in β ladder)trans-81.3126.2175.6-77.8-48.8000111.9G211 R213 R218 D219 I222 L249 A254G211-Y236 WeakPolarHBondContact O-CA 3.2Å; G211-Y236 WeakPolarHBondContact O-CD1 3.15Å; R213-Y236 VanDerWaalsContact CA-CE1 3.47Å; R213-Y236 HydrophobicContact CB-CD1 3.8Å; R213-Y236 HydrophobicContact CB-CD2 4.23Å; R213-Y236 HydrophobicContact CB-CE1 3.59Å; R213-Y236 HydrophobicContact CB-CE2 4Å; R213-Y236 HydrophobicContact CB-CG 4.14Å; R213-Y236 HydrophobicContact CG-CE1 3.95Å; R213-Y236 HydrophobicContact CG-CE2 3.85Å; R218-Y236 VanDerWaalsContact C-OH 3.29Å; R218-Y236 HydrophobicContact CB-CE1 3.9Å; R218-Y236 WeakPolarHBondContact CB-OH 3.29Å; D219-Y236 WeakPolarHBondContact CA-OH 3.42Å; D219-Y236 PolarHBondContact N-OH 3.32Å; D219-Y236 VanDerWaalsContact N-OH 3.13Å; D219-Y236 VanDerWaalsContact OD1-CE2 3.31Å; D219-Y236 WeakPolarHBondContact OD1-CE2 3.14Å; D219-Y236 VanDerWaalsContact OD1-CZ 3.32Å; D219-Y236 PolarHBondContact OD1-OH 2.52Å; I222-Y236 HydrophobicContact CB-CD2 4.4Å; I222-Y236 HydrophobicContact CB-CE2 4.14Å; I222-Y236 HydrophobicContact CD1-CD1 4.4Å; I222-Y236 HydrophobicContact CD1-CE1 4.37Å; I222-Y236 HydrophobicContact CG1-CD1 4.21Å; I222-Y236 HydrophobicContact CG1-CD2 3.86Å; I222-Y236 HydrophobicContact CG1-CE1 3.9Å; I222-Y236 HydrophobicContact CG1-CE2 3.55Å; I222-Y236 HydrophobicContact CG1-CG 4.17Å; I222-Y236 HydrophobicContact CG2-CD2 4.06Å; I222-Y236 HydrophobicContact CG2-CE2 4.25Å; Y236-L249 HydrophobicContact CD2-CB 4.14Å; Y236-L249 HydrophobicContact CE2-CB 4.11Å; Y236-L249 HydrophobicContact CE2-CD2 4.46Å; Y236-A254 PolarHBondContact O-N 3.5Å
237T98.6Very high97.1Very high6 Ų681.2 Ų81.24%0.03740%0.398CS..  trans-92.1177.1167.271.90000110.9R210 G211 S212 A254 D256R210-T237 HydrophobicContact CB-CG2 4.33Å; G211-T237 PolarHBondContact O-N 3.08Å; G211-T237 VanDerWaalsContact O-N 3.09Å; S212-T237 WeakPolarHBondContact CA-O 3.09Å; S212-T237 WeakPolarHBondContact CB-O 3.28Å; S212-T237 PolarHBondContact N-OG1 2.98Å; T237-A254 HydrophobicContact CG2-CB 4.23Å; T237-D256 WeakPolarHBondContact CB-OD1 3.47Å; T237-D256 WeakPolarHBondContact CG2-OD1 3.49Å; T237-D256 PolarHBondContact OG1-OD1 2.98Å
238K97.3Very high97.1Very high100 Ų10072.8 Ų72.844%0.43536%0.362SS..  trans-88.2149.9175.2-60.9-167.9-179.11800111W242 A253K238-W242 HydrophobicContact CB-CB 4.34Å; K238-W242 HydrophobicContact CB-CG 4.39Å; K238-W242 HydrophobicContact CD-CD2 4.05Å; K238-W242 HydrophobicContact CD-CG 4.07Å; K238-W242 HydrophobicContact CG-CG 4.1Å; K238-A253 HydrophobicContact CD-CB 4.06Å; K238-A253 HydrophobicContact CG-CB 3.36Å
239N94.8Very high97Very high58 Ų5871.7 Ų71.731%0.3136%0.356SS..  trans-117174.7159.962.839.3000109.3S212 A241 W242S212-N239 WeakPolarHBondContact CB-ND2 3.03Å; S212-N239 PolarHBondContact OG-ND2 2.99Å; N239-A241 PolarHBondContact O-N 3.1Å; N239-A241 VanDerWaalsContact O-N 3.16Å; N239-A241 WeakPolarHBondContact OD1-CA 3.39Å; N239-A241 WeakPolarHBondContact OD1-CB 3.36Å; N239-A241 PolarHBondContact OD1-N 3.01Å; N239-W242 VanDerWaalsContact O-CB 3.24Å; N239-W242 WeakPolarHBondContact O-CB 3.15Å; N239-W242 PolarHBondContact O-N 3.2Å; N239-W242 VanDerWaalsContact O-N 3.09Å; N239-W242 PolarHBondContact OD1-N 3.46Å; N239-W242 VanDerWaalsContact OD1-N 3.17Å
240Q90.7Very high97Very high172 Ų17270 Ų7080%0.80435%0.354SS*.THydrogen-bonded Turntrans-65.1-16.5-178.6-64.2178.2-300113.6A172A172-Q240 PolarHBondContact O-NE2 3.35Å
241A93.8Very high97Very high71 Ų7167.1 Ų67.159%0.58734%0.342SS*.THydrogen-bonded Turntrans-93.55.7176.800000113.5N239 K243N239-A241 PolarHBondContact O-N 3.1Å; N239-A241 VanDerWaalsContact O-N 3.16Å; N239-A241 WeakPolarHBondContact OD1-CA 3.39Å; N239-A241 WeakPolarHBondContact OD1-CB 3.36Å; N239-A241 PolarHBondContact OD1-N 3.01Å; A241-K243 PolarHBondContact O-N 3.34Å
242W93.6Very high97Very high86 Ų8671.4 Ų71.433%0.32637%0.371SS..  trans-60.8129.5178-176.893.9000111K238 N239 S244 D247K238-W242 HydrophobicContact CB-CB 4.34Å; K238-W242 HydrophobicContact CB-CG 4.39Å; K238-W242 HydrophobicContact CD-CD2 4.05Å; K238-W242 HydrophobicContact CD-CG 4.07Å; K238-W242 HydrophobicContact CG-CG 4.1Å; N239-W242 VanDerWaalsContact O-CB 3.24Å; N239-W242 WeakPolarHBondContact O-CB 3.15Å; N239-W242 PolarHBondContact O-N 3.2Å; N239-W242 VanDerWaalsContact O-N 3.09Å; N239-W242 PolarHBondContact OD1-N 3.46Å; N239-W242 VanDerWaalsContact OD1-N 3.17Å; W242-S244 VanDerWaalsContact CE2-O 3.32Å; W242-S244 PolarHBondContact NE1-O 3.32Å; W242-D247 HydrophobicContact CG-CB 4.43Å
243K95.7Very high97Very high181 Ų18173 Ų7379%0.78738%0.384SS*.  trans-121.5-30.4179.3-67.7179-178.4-178.50112.8A241 D247A241-K243 PolarHBondContact O-N 3.34Å; K243-D247 PolarHBondContact N-OD2 3.27Å
244S97.1Very high97Very high52 Ų5272 Ų7236%0.36438%0.381SS..SBendtrans-158.1173.1-176.770.50000112.5W242 K246 D247W242-S244 VanDerWaalsContact CE2-O 3.32Å; W242-S244 PolarHBondContact NE1-O 3.32Å; S244-K246 PolarHBondContact O-N 2.96Å; S244-K246 VanDerWaalsContact OG-CB 3.32Å; S244-K246 WeakPolarHBondContact OG-CB 3.43Å; S244-K246 PolarHBondContact OG-N 3.04Å; S244-D247 PolarHBondContact N-OD2 2.94Å; S244-D247 WeakPolarHBondContact O-CB 3.46Å; S244-D247 PolarHBondContact O-N 2.99Å
245M96.7Very high96.9Very high111 Ų11180.8 Ų80.855%0.54742%0.419SS..G310 helixtrans-61-14.6172.4-72.8-170.2-74.100113.8D247 T248 L249 G250M245-D247 PolarHBondContact O-N 3.15Å; M245-T248 CarbonylContact O-C 3.57Å; M245-T248 PolarHBondContact O-N 2.94Å; M245-T248 VanDerWaalsContact O-N 3.09Å; M245-T248 PolarHBondContact O-OG1 3.06Å; M245-L249 PolarHBondContact O-N 3.45Å; M245-L249 VanDerWaalsContact O-N 3.14Å; M245-G250 PolarHBondContact O-N 3.22Å
246K97Very high96.9Very high154 Ų15478.6 Ų78.667%0.6741%0.41SS*.G310 helixtrans-59-33.9170.6-173.3179.4175.2179.70111.4S244 T248 L249S244-K246 PolarHBondContact O-N 2.96Å; S244-K246 VanDerWaalsContact OG-CB 3.32Å; S244-K246 WeakPolarHBondContact OG-CB 3.43Å; S244-K246 PolarHBondContact OG-N 3.04Å; K246-T248 PolarHBondContact O-N 3.35Å; K246-L249 PolarHBondContact O-N 3.42Å; K246-L249 VanDerWaalsContact O-N 3.13Å
247D96.9Very high96.9Very high48 Ų4880.1 Ų80.126%0.25742%0.42SS..G310 helixtrans-73.6-10.7179.7-54.4-45.7000112.7R213 W242 K243 S244 M245R213-D247 WeakPolarHBondContact CB-O 3.48Å; W242-D247 HydrophobicContact CG-CB 4.43Å; K243-D247 PolarHBondContact N-OD2 3.27Å; S244-D247 PolarHBondContact N-OD2 2.94Å; S244-D247 WeakPolarHBondContact O-CB 3.46Å; S244-D247 PolarHBondContact O-N 2.99Å; M245-D247 PolarHBondContact O-N 3.15Å
248T98.2Very high96.9Very high1 Ų182 Ų821%0.00643%0.428CS..G310 helixtrans-120.222.817350.50000111.4R226 M245 K246 G250 K251 A253R226-T248 PolarHBondContact NH2-O 3.03Å; M245-T248 CarbonylContact O-C 3.57Å; M245-T248 PolarHBondContact O-N 2.94Å; M245-T248 VanDerWaalsContact O-N 3.09Å; M245-T248 PolarHBondContact O-OG1 3.06Å; K246-T248 PolarHBondContact O-N 3.35Å; T248-G250 VanDerWaalsContact C-N 3.32Å; T248-G250 PolarHBondContact O-N 3.45Å; T248-K251 VanDerWaalsContact CB-O 3.29Å; T248-K251 WeakPolarHBondContact CB-O 3.49Å; T248-K251 PolarHBondContact O-N 2.64Å; T248-K251 PolarHBondContact OG1-O 3.33Å; T248-A253 HydrophobicContact CG2-CB 3.93Å
249L97.9Very high97Very high44 Ų4477.9 Ų77.923%0.2341%0.411CS..THydrogen-bonded Turntrans5446176.4-163.365.9000112.5D219 L223 R226 Y236 M245 K246 K251D219-L249 HydrophobicContact CB-CD2 4.28Å; L223-L249 HydrophobicContact CD1-CD2 4.33Å; L223-L249 HydrophobicContact CD2-CD2 3.61Å; L223-L249 HydrophobicContact CG-CD2 3.77Å; R226-L249 PolarHBondContact NH1-O 3.24Å; R226-L249 PolarHBondContact NH2-O 3.26Å; R226-L249 VanDerWaalsContact NH2-O 3.17Å; Y236-L249 HydrophobicContact CD2-CB 4.14Å; Y236-L249 HydrophobicContact CE2-CB 4.11Å; Y236-L249 HydrophobicContact CE2-CD2 4.46Å; M245-L249 PolarHBondContact O-N 3.45Å; M245-L249 VanDerWaalsContact O-N 3.14Å; K246-L249 PolarHBondContact O-N 3.42Å; K246-L249 VanDerWaalsContact O-N 3.13Å; L249-K251 PolarHBondContact O-N 3Å
250G97.9Very high97.2Very high53 Ų5376.5 Ų76.555%0.54641%0.405SS..THydrogen-bonded Turntrans76.613.3173.900000115.8M245 T248M245-G250 PolarHBondContact O-N 3.22Å; T248-G250 VanDerWaalsContact C-N 3.32Å; T248-G250 PolarHBondContact O-N 3.45Å
251K98.2Very high97.6Very high119 Ų11972 Ų7252%0.51739%0.386SS..SBendtrans-121.4157.1176.7-68.1-68.8-176.4176.60111.4T248 L249T248-K251 VanDerWaalsContact CB-O 3.29Å; T248-K251 WeakPolarHBondContact CB-O 3.49Å; T248-K251 PolarHBondContact O-N 2.64Å; T248-K251 PolarHBondContact OG1-O 3.33Å; L249-K251 PolarHBondContact O-N 3Å
252P98.4Very high97.8Very high111 Ų11168.9 Ų68.972%0.72136%0.359SS*.PPolyproline II helixtrans-52.4145.1168.3-25.235.1000111.1
253A98.2Very high98.1Very high33 Ų3364.8 Ų64.827%0.27334%0.344SS..PPolyproline II helixtrans-68.1136.5177.500000110.6K238 T248K238-A253 HydrophobicContact CD-CB 4.06Å; K238-A253 HydrophobicContact CG-CB 3.36Å; T248-A253 HydrophobicContact CG2-CB 3.93Å
254A98.5Very high98.2Very high17 Ų1759.7 Ų59.714%0.1432%0.322CS..PPolyproline II helixtrans-67.4155.3168.400000110.7E235 Y236 T237E235-A254 HydrophobicContact CB-CB 3.6Å; E235-A254 VanDerWaalsContact OE2-CB 3.29Å; E235-A254 WeakPolarHBondContact OE2-CB 3.5Å; Y236-A254 PolarHBondContact O-N 3.5Å; T237-A254 HydrophobicContact CG2-CB 4.23Å
255K98.5Very high98.3Very high185 Ų18558.3 Ų58.380%0.80431%0.308SS*.PPolyproline II helixtrans-68143.3168.8-62.7-178.2-177.7-1780109.4
256D98.3Very high98.4Very high43 Ų4353.7 Ų53.723%0.2329%0.285CS..PPolyproline II helixtrans-65144.2169.5-62.2-77.9000110.4V173 I176 T237V173-D256 HydrophobicContact CG1-CB 3.87Å; V173-D256 VanDerWaalsContact CG1-CG 3.42Å; V173-D256 WeakPolarHBondContact CG1-OD1 3.24Å; I176-D256 HydrophobicContact CD1-CB 3.94Å; I176-D256 HydrophobicContact CG1-CB 4.33Å; T237-D256 WeakPolarHBondContact CB-OD1 3.47Å; T237-D256 WeakPolarHBondContact CG2-OD1 3.49Å; T237-D256 PolarHBondContact OG1-OD1 2.98Å
257V98.7Very high98.5Very high38 Ų3846.4 Ų46.423%0.2325%0.254CS..  trans-125.7131-176.9176.60000107.6R210 D261 H262R210-V257 HydrophobicContact CB-CB 4.49Å; R210-V257 HydrophobicContact CG-CB 4.25Å; R210-V257 HydrophobicContact CG-CG2 4.03Å; V257-D261 HydrophobicContact CG1-CB 3.64Å; V257-H262 PolarHBondContact O-CE1 2.79Å
258H98.8Very high98.6Very high45 Ų4544.1 Ų44.121%0.20824%0.241CC..  trans-64.1148.2-179.5-165-89.5000110.3I176 Y177 F187 V260 D261 H262I176-H258 HydrophobicContact CG2-CB 4.4Å; Y177-H258 AromaticContact CE1-CD2 3.57Å; Y177-H258 AromaticContact CE1-NE2 3.39Å; Y177-H258 WeakPolarHBondContact CE1-NE2 3.29Å; F187-H258 AromaticContact CE1-CE1 3.9Å; F187-H258 AromaticContact CZ-CE1 3.48Å; F187-H258 VanDerWaalsContact CZ-CE1 3.48Å; F187-H258 WeakPolarHBondContact CZ-CE1 3.34Å; F187-H258 AromaticContact CZ-NE2 3.77Å; H258-V260 VanDerWaalsContact C-N 3.25Å; H258-V260 HydrophobicContact CB-CG2 4.29Å; H258-V260 WeakPolarHBondContact ND1-CG2 3.34Å; H258-V260 PolarHBondContact ND1-N 2.71Å; H258-V260 PolarHBondContact O-N 3.4Å; H258-D261 WeakPolarHBondContact O-CB 3.5Å; H258-D261 PolarHBondContact O-N 3.37Å; H258-H262 PolarHBondContact O-CE1 3.21Å; H258-H262 PolarHBondContact O-ND1 3.23Å
259L98.8Very high98.6Very high14 Ų1444.1 Ų44.17%0.07324%0.242CC..G310 helixtrans-62.7-32.5-175.7-80163.8000112.4Y177 L181 F187 L191 D261 H262 R279 H282 L283Y177-L259 WeakPolarHBondContact OH-CD1 3.4Å; Y177-L259 WeakPolarHBondContact OH-CG 3.48Å; Y177-L259 PolarHBondContact OH-N 2.9Å; L181-L259 HydrophobicContact CD1-CD1 4.5Å; F187-L259 HydrophobicContact CE1-CB 3.76Å; F187-L259 HydrophobicContact CE1-CD1 4.15Å; F187-L259 HydrophobicContact CZ-CB 4.04Å; F187-L259 HydrophobicContact CZ-CD1 4.05Å; L191-L259 HydrophobicContact CD2-CB 4.4Å; L259-D261 PolarHBondContact O-N 2.7Å; L259-H262 VanDerWaalsContact O-CB 3.25Å; L259-H262 WeakPolarHBondContact O-CB 3.33Å; L259-H262 PolarHBondContact O-N 2.76Å; L259-H262 VanDerWaalsContact O-N 3.08Å; L259-R279 HydrophobicContact CD2-CG 4.44Å; L259-H282 HydrophobicContact CD1-CB 3.92Å; L259-H282 HydrophobicContact CD2-CB 4.25Å; L259-L283 HydrophobicContact CD2-CD2 4.38Å
260V98.8Very high98.7Very high29 Ų2942.1 Ų42.118%0.17623%0.231CC..G310 helixtrans-60.8-31.6174.4-56.90000113D190 L191 S194 H258 H262 C263D190-V260 HydrophobicContact CB-CG1 3.9Å; L191-V260 HydrophobicContact CD2-CG1 4.24Å; S194-V260 PolarHBondContact OG-O 3.1Å; H258-V260 VanDerWaalsContact C-N 3.25Å; H258-V260 HydrophobicContact CB-CG2 4.29Å; H258-V260 WeakPolarHBondContact ND1-CG2 3.34Å; H258-V260 PolarHBondContact ND1-N 2.71Å; H258-V260 PolarHBondContact O-N 3.4Å; V260-H262 PolarHBondContact O-N 3.45Å; V260-C263 WeakPolarHBondContact O-CB 3.16Å; V260-C263 PolarHBondContact O-N 3Å; V260-C263 PolarHBondContact O-SG 2.79Å; V260-C263 VanDerWaalsContact O-SG 3.37Å
261D98.8Very high98.7Very high78 Ų7839.6 Ų39.642%0.41721%0.205SC..G310 helixtrans-77.2-8.9179.5-65.2-46.2000112.7V257 H258 L259 C263 K264V257-D261 HydrophobicContact CG1-CB 3.64Å; H258-D261 WeakPolarHBondContact O-CB 3.5Å; H258-D261 PolarHBondContact O-N 3.37Å; L259-D261 PolarHBondContact O-N 2.7Å; D261-C263 VanDerWaalsContact C-N 3.29Å; D261-K264 WeakPolarHBondContact O-CE 3.43Å; D261-K264 WeakPolarHBondContact O-CG 3.31Å
262H98.9Very high98.8Very high5 Ų536.1 Ų36.12%0.02319%0.189CC..G310 helixtrans-74.5-24.6172.6-65.649000111.1Y208 V257 H258 L259 V260 K264 Y265 L268Y208-H262 HydrophobicContact CD1-CB 4.48Å; Y208-H262 AromaticContact CD1-CD2 3.67Å; Y208-H262 AromaticContact CE1-CD2 3.65Å; Y208-H262 AromaticContact CE1-CE1 3.99Å; Y208-H262 AromaticContact CE1-CG 3.92Å; Y208-H262 AromaticContact CE1-NE2 3.71Å; V257-H262 PolarHBondContact O-CE1 2.79Å; H258-H262 PolarHBondContact O-CE1 3.21Å; H258-H262 PolarHBondContact O-ND1 3.23Å; L259-H262 VanDerWaalsContact O-CB 3.25Å; L259-H262 WeakPolarHBondContact O-CB 3.33Å; L259-H262 PolarHBondContact O-N 2.76Å; L259-H262 VanDerWaalsContact O-N 3.08Å; V260-H262 PolarHBondContact O-N 3.45Å; H262-K264 PolarHBondContact O-N 2.64Å; H262-Y265 WeakPolarHBondContact O-CD2 3.19Å; H262-Y265 PolarHBondContact O-N 3.16Å; H262-L268 HydrophobicContact CB-CD1 4.16Å; H262-L268 HydrophobicContact CB-CD2 4.07Å
263C98.9Very high98.7Very high0 Ų031.1 Ų31.10%016%0.157CC..THydrogen-bonded Turntrans-65.9-15-171-53.70000114S194 W198 K203 V260 D261 Y265 C286S194-C263 WeakPolarHBondContact OG-CB 3.49Å; W198-C263 WeakPolarHBondContact CB-O 3.49Å; K203-C263 PolarHBondContact NZ-O 3.1Å; V260-C263 WeakPolarHBondContact O-CB 3.16Å; V260-C263 PolarHBondContact O-N 3Å; V260-C263 PolarHBondContact O-SG 2.79Å; V260-C263 VanDerWaalsContact O-SG 3.37Å; D261-C263 VanDerWaalsContact C-N 3.29Å; C263-Y265 PolarHBondContact O-N 2.78Å; C263-C286 WeakPolarHBondContact CA-SG 3.38Å; C263-C286 HydrophobicContact CB-CB 3.46Å; C263-C286 VanDerWaalsContact CB-CB 3.46Å; C263-C286 WeakPolarHBondContact CB-SG 3.42Å; C263-C286 PolarHBondContact N-SG 3.15Å; C263-C286 VanDerWaalsContact N-SG 3.44Å; C263-C286 WeakPolarHBondContact SG-CA 3.38Å; C263-C286 WeakPolarHBondContact SG-CB 3.48Å; C263-C286 CovalentContact SG-SG 2.05Å; C263-C286 PolarHBondContact SG-SG 3.39Å
264K98.9Very high98.7Very high74 Ų7432.4 Ų32.432%0.32216%0.161SC..THydrogen-bonded Turntrans-71.7-9.7172.873.3-170174.4-173.30114.6W198 K203 N204 D261 H262W198-K264 HydrophobicContact CD2-CB 3.46Å; W198-K264 VanDerWaalsContact CD2-CB 3.46Å; W198-K264 VanDerWaalsContact CE2-CB 3.46Å; W198-K264 HydrophobicContact CE3-CB 3.74Å; W198-K264 HydrophobicContact CG-CB 3.97Å; W198-K264 HydrophobicContact CH2-CB 4.02Å; W198-K264 HydrophobicContact CZ2-CB 3.76Å; W198-K264 HydrophobicContact CZ2-CD 4.43Å; W198-K264 HydrophobicContact CZ3-CB 4.01Å; K203-K264 CarbonylContact C-O 3.51Å; K203-K264 VanDerWaalsContact CA-O 3.27Å; K203-K264 WeakPolarHBondContact CA-O 3.28Å; N204-K264 PolarHBondContact N-O 3.38Å; D261-K264 WeakPolarHBondContact O-CE 3.43Å; D261-K264 WeakPolarHBondContact O-CG 3.31Å; H262-K264 PolarHBondContact O-N 2.64Å
265Y98.9Very high98.7Very high22 Ų2231.8 Ų31.89%0.08616%0.156CC..BIsolated β-bridgetrans-103.9139.5179.4-61.9-89.8000111.4N204 T206 Y208 D233 H262 C263 S288N204-Y265 HydrophobicContact CB-CD1 4Å; N204-Y265 HydrophobicContact CB-CE1 4.46Å; T206-Y265 WeakPolarHBondContact O-CD1 3.33Å; Y208-Y265 VanDerWaalsContact CB-CG 3.5Å; Y208-Y265 AromaticContact CD1-CD2 3.78Å; Y208-Y265 HydrophobicContact CD1-CD2 3.78Å; Y208-Y265 AromaticContact CD1-CE2 3.88Å; Y208-Y265 HydrophobicContact CD1-CE2 3.88Å; Y208-Y265 HydrophobicContact CD1-CG 4.41Å; Y208-Y265 AromaticContact CD2-CD1 3.98Å; Y208-Y265 HydrophobicContact CD2-CD1 3.98Å; Y208-Y265 AromaticContact CD2-CD2 3.83Å; Y208-Y265 HydrophobicContact CD2-CD2 3.83Å; Y208-Y265 AromaticContact CD2-CE1 3.56Å; Y208-Y265 HydrophobicContact CD2-CE1 3.56Å; Y208-Y265 AromaticContact CD2-CE2 3.41Å; Y208-Y265 HydrophobicContact CD2-CE2 3.41Å; Y208-Y265 VanDerWaalsContact CD2-CE2 3.41Å; Y208-Y265 HydrophobicContact CD2-CG 4.09Å; Y208-Y265 AromaticContact CD2-CZ 3.25Å; Y208-Y265 HydrophobicContact CE1-CD2 4.29Å; Y208-Y265 AromaticContact CE1-CE2 3.98Å; Y208-Y265 HydrophobicContact CE1-CE2 3.98Å; Y208-Y265 HydrophobicContact CE2-CD2 4.32Å; Y208-Y265 HydrophobicContact CE2-CE1 4.15Å; Y208-Y265 AromaticContact CE2-CE2 3.52Å; Y208-Y265 HydrophobicContact CE2-CE2 3.52Å; Y208-Y265 AromaticContact CE2-CZ 3.41Å; Y208-Y265 VanDerWaalsContact CE2-CZ 3.41Å; Y208-Y265 VanDerWaalsContact CE2-OH 3.29Å; Y208-Y265 WeakPolarHBondContact CE2-OH 3.29Å; Y208-Y265 HydrophobicContact CG-CD1 4.06Å; Y208-Y265 AromaticContact CG-CD2 3.51Å; Y208-Y265 HydrophobicContact CG-CD2 3.51Å; Y208-Y265 HydrophobicContact CG-CE1 4.1Å; Y208-Y265 AromaticContact CG-CE2 3.58Å; Y208-Y265 HydrophobicContact CG-CE2 3.58Å; Y208-Y265 AromaticContact CG-CG 3.76Å; Y208-Y265 HydrophobicContact CG-CG 3.76Å; Y208-Y265 AromaticContact CG-CZ 3.87Å; Y208-Y265 AromaticContact CZ-CE2 3.79Å; D233-Y265 PolarHBondContact OD2-OH 2.89Å; H262-Y265 WeakPolarHBondContact O-CD2 3.19Å; H262-Y265 PolarHBondContact O-N 3.16Å; C263-Y265 PolarHBondContact O-N 2.78Å; Y265-S288 VanDerWaalsContact O-CB 3.3Å; Y265-S288 WeakPolarHBondContact O-CB 3.12Å; Y265-S288 PolarHBondContact O-OG 3.5Å
266K98.9Very high98.7Very high14 Ų1423.4 Ų23.46%0.06112%0.121CC..SBendtrans-68.7-40.6179.6-81.2-169.5177.3-172.80112.6W200 K203 N204 S288 L289 D332W200-K266 HydrophobicContact CH2-CB 4.46Å; W200-K266 HydrophobicContact CH2-CD 4.37Å; W200-K266 HydrophobicContact CH2-CG 4.45Å; W200-K266 HydrophobicContact CZ2-CD 3.96Å; W200-K266 HydrophobicContact CZ2-CG 4.47Å; W200-K266 VanDerWaalsContact O-CE 3.23Å; W200-K266 WeakPolarHBondContact O-CE 3.37Å; K203-K266 HydrophobicContact CB-CB 4.31Å; K203-K266 HydrophobicContact CB-CG 3.44Å; K203-K266 VanDerWaalsContact CB-CG 3.44Å; K203-K266 HydrophobicContact CD-CG 4.34Å; N204-K266 PolarHBondContact O-N 3.05Å; K266-S288 CarbonylContact O-C 3.6Å; K266-S288 WeakPolarHBondContact O-CB 3.39Å; K266-L289 PolarHBondContact O-N 3.24Å; K266-D332 IonicContact NZ-OD1 3.64Å; K266-D332 PolarHBondContact NZ-OD1 3.05Å; K266-D332 IonicContact NZ-OD2 2.72Å; K266-D332 PolarHBondContact NZ-OD2 3.27Å
267Y98.9Very high98.8Very high1 Ų122.3 Ų22.30%0.00412%0.117CC..EExtended strand (participates in β ladder)trans-117.8109.6-168.2-40.5-58000109.7W200 S205 A207 Y208 L289 F291 L325 V328 K329W200-Y267 HydrophobicContact CH2-CE1 4.39Å; S205-Y267 VanDerWaalsContact O-CE2 3.25Å; S205-Y267 WeakPolarHBondContact O-CE2 3.15Å; A207-Y267 CarbonylContact C-O 3.52Å; A207-Y267 WeakPolarHBondContact CA-O 3.43Å; Y208-Y267 PolarHBondContact N-O 2.96Å; Y267-L289 WeakPolarHBondContact CA-O 3.46Å; Y267-L289 HydrophobicContact CD1-CB 4.27Å; Y267-L289 HydrophobicContact CD1-CD2 4.39Å; Y267-F291 AromaticContact CD1-CE2 3.94Å; Y267-F291 HydrophobicContact CD1-CE2 3.94Å; Y267-F291 HydrophobicContact CG-CE2 4.15Å; Y267-L325 HydrophobicContact CD2-CD2 4.16Å; Y267-L325 HydrophobicContact CG-CD2 4.31Å; Y267-V328 HydrophobicContact CD1-CG2 3.99Å; Y267-V328 HydrophobicContact CE1-CB 4.21Å; Y267-V328 HydrophobicContact CE1-CG2 3.56Å; Y267-V328 HydrophobicContact CE2-CG2 4.44Å; Y267-K329 HydrophobicContact CE2-CG 4.19Å
268L99Very high98.8Very high0 Ų021.3 Ų21.30%011%0.11CC..EExtended strand (participates in β ladder)trans-111.1123.2-175.5-62.8-177.4000110.6Y208 H262 L283 C286 L289 V290 F291Y208-L268 HydrophobicContact CD1-CD2 4.34Å; H262-L268 HydrophobicContact CB-CD1 4.16Å; H262-L268 HydrophobicContact CB-CD2 4.07Å; L268-L283 HydrophobicContact CB-CB 4.22Å; L268-L283 HydrophobicContact CB-CD1 4.03Å; L268-L283 HydrophobicContact CB-CD2 4.19Å; L268-L283 HydrophobicContact CB-CG 4.37Å; L268-L283 HydrophobicContact CD1-CB 4.14Å; L268-L283 HydrophobicContact CD1-CD2 4.03Å; L268-C286 HydrophobicContact CD1-CB 4.06Å; L268-L289 PolarHBondContact N-O 3.32Å; L268-V290 CarbonylContact O-C 3.6Å; L268-V290 WeakPolarHBondContact O-CA 3.43Å; L268-F291 PolarHBondContact O-N 3.07Å
269F98.9Very high98.8Very high2 Ų221.1 Ų21.11%0.00911%0.107CC..EExtended strand (participates in β ladder)trans-89.2136.7-177.9-82.6-104.5000112.7A207 Y208 F209 L221 F271 F291 V293 V314 V321 L325A207-F269 HydrophobicContact CB-CD2 4.05Å; A207-F269 HydrophobicContact CB-CE2 3.57Å; Y208-F269 PolarHBondContact O-N 3.3Å; F209-F269 HydrophobicContact CB-CB 4.4Å; F209-F269 HydrophobicContact CD2-CB 4.46Å; L221-F269 HydrophobicContact CD1-CD1 4.12Å; L221-F269 HydrophobicContact CD1-CE1 3.91Å; L221-F269 HydrophobicContact CD1-CE2 4.43Å; L221-F269 HydrophobicContact CD1-CG 4.45Å; L221-F269 HydrophobicContact CD1-CZ 4.08Å; L221-F269 HydrophobicContact CD2-CB 3.78Å; L221-F269 HydrophobicContact CD2-CD1 3.73Å; L221-F269 HydrophobicContact CD2-CD2 4.16Å; L221-F269 HydrophobicContact CD2-CE1 4.37Å; L221-F269 HydrophobicContact CD2-CG 3.6Å; F269-F271 HydrophobicContact CB-CD2 4.36Å; F269-F271 HydrophobicContact CB-CE2 3.76Å; F269-F271 HydrophobicContact CD1-CE2 4.02Å; F269-F271 HydrophobicContact CD1-CZ 4.14Å; F269-F271 HydrophobicContact CG-CE2 4.32Å; F269-F291 CarbonylContact C-O 3.59Å; F269-F291 WeakPolarHBondContact CA-O 3.35Å; F269-F291 HydrophobicContact CD1-CB 3.8Å; F269-F291 HydrophobicContact CD2-CB 4.03Å; F269-F291 HydrophobicContact CD2-CG 4.46Å; F269-F291 HydrophobicContact CE1-CB 3.76Å; F269-F291 HydrophobicContact CE1-CD1 4.1Å; F269-F291 HydrophobicContact CE1-CG 4.22Å; F269-F291 HydrophobicContact CE2-CB 3.94Å; F269-F291 HydrophobicContact CE2-CD1 4.18Å; F269-F291 HydrophobicContact CE2-CD2 4.45Å; F269-F291 AromaticContact CE2-CG 3.94Å; F269-F291 HydrophobicContact CE2-CG 3.94Å; F269-F291 HydrophobicContact CG-CB 3.95Å; F269-F291 HydrophobicContact CZ-CB 3.82Å; F269-F291 AromaticContact CZ-CD1 3.66Å; F269-F291 HydrophobicContact CZ-CD1 3.66Å; F269-F291 HydrophobicContact CZ-CE1 4.42Å; F269-F291 AromaticContact CZ-CG 3.83Å; F269-F291 HydrophobicContact CZ-CG 3.83Å; F269-V293 HydrophobicContact CD1-CG2 4.08Å; F269-V293 HydrophobicContact CE1-CG2 4.46Å; F269-V314 HydrophobicContact CE1-CG2 4.31Å; F269-V321 HydrophobicContact CE1-CG2 3.53Å; F269-V321 HydrophobicContact CZ-CG2 3.48Å; F269-V321 VanDerWaalsContact CZ-CG2 3.48Å; F269-L325 HydrophobicContact CE2-CD2 4.29Å; F269-L325 HydrophobicContact CZ-CD1 4.45Å; F269-L325 HydrophobicContact CZ-CD2 4.43Å
270N98.9Very high98.8Very high1 Ų120.5 Ų20.51%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-117.3141.2169.2-175.460.2000111.1F280 L283 V290 F291 H292 V293N270-F280 HydrophobicContact CB-CD2 3.65Å; N270-F280 HydrophobicContact CB-CE2 4.29Å; N270-F280 HydrophobicContact CB-CG 4.46Å; N270-F280 VanDerWaalsContact CG-CD2 3.45Å; N270-F280 WeakPolarHBondContact ND2-CB 3.28Å; N270-F280 VanDerWaalsContact ND2-CD2 3.28Å; N270-F280 WeakPolarHBondContact ND2-CD2 3.21Å; N270-F280 WeakPolarHBondContact ND2-CG 3.5Å; N270-F280 PolarHBondContact OD1-N 2.55Å; N270-L283 HydrophobicContact CB-CD1 3.91Å; N270-V290 HydrophobicContact CB-CG1 4.36Å; N270-F291 PolarHBondContact N-O 2.78Å; N270-H292 PolarHBondContact ND2-CE1 3.43Å; N270-H292 PolarHBondContact ND2-ND1 2.77Å; N270-V293 PolarHBondContact O-N 3.13Å
271F98.9Very high98.8Very high1 Ų119.1 Ų19.10%0.00410%0.095CC..  trans-141.1154.4178-67.9-100.6000109.7F209 E217 R218 L221 F269 S277 V293 L318F209-F271 HydrophobicContact CD2-CD2 4.15Å; F209-F271 HydrophobicContact CD2-CE2 4.31Å; F209-F271 AromaticContact CE2-CD2 3.96Å; F209-F271 HydrophobicContact CE2-CD2 3.96Å; F209-F271 HydrophobicContact CE2-CE2 4.5Å; E217-F271 WeakPolarHBondContact O-CE1 3.46Å; R218-F271 HydrophobicContact CB-CD1 4.47Å; R218-F271 HydrophobicContact CG-CB 3.69Å; R218-F271 HydrophobicContact CG-CD1 3.81Å; R218-F271 HydrophobicContact CG-CD2 4.1Å; R218-F271 HydrophobicContact CG-CE1 4.4Å; R218-F271 HydrophobicContact CG-CG 3.64Å; L221-F271 HydrophobicContact CB-CE2 4.41Å; L221-F271 HydrophobicContact CB-CZ 3.8Å; L221-F271 HydrophobicContact CD2-CE2 3.49Å; L221-F271 VanDerWaalsContact CD2-CE2 3.49Å; L221-F271 HydrophobicContact CD2-CZ 3.64Å; L221-F271 HydrophobicContact CG-CZ 4.27Å; F269-F271 HydrophobicContact CB-CD2 4.36Å; F269-F271 HydrophobicContact CB-CE2 3.76Å; F269-F271 HydrophobicContact CD1-CE2 4.02Å; F269-F271 HydrophobicContact CD1-CZ 4.14Å; F269-F271 HydrophobicContact CG-CE2 4.32Å; F271-S277 WeakPolarHBondContact O-CB 3.46Å; F271-V293 HydrophobicContact CD1-CB 3.62Å; F271-V293 HydrophobicContact CD1-CG1 3.71Å; F271-V293 HydrophobicContact CD1-CG2 3.86Å; F271-V293 HydrophobicContact CE1-CB 3.74Å; F271-V293 HydrophobicContact CE1-CG1 3.71Å; F271-V293 HydrophobicContact CE1-CG2 3.51Å; F271-V293 HydrophobicContact CE2-CG2 4.22Å; F271-V293 HydrophobicContact CG-CB 4.2Å; F271-V293 HydrophobicContact CG-CG2 4.37Å; F271-V293 HydrophobicContact CZ-CB 4.37Å; F271-V293 HydrophobicContact CZ-CG2 3.67Å; F271-L318 HydrophobicContact CE1-CD1 3.7Å; F271-L318 HydrophobicContact CE1-CD2 4.22Å; F271-L318 HydrophobicContact CZ-CD1 4.24Å; F271-L318 HydrophobicContact CZ-CD2 4.05Å
272R98.8Very high98.8Very high46 Ų4615.6 Ų15.617%0.1748%0.076CC..  trans-57.1159.5161.167.6157.9-66.4-176.66.3112.2E217 R218 V274 A275 W297E217-R272 WeakPolarHBondContact OE1-CD 3.44Å; E217-R272 IonicContact OE1-NH1 3.36Å; E217-R272 VanDerWaalsContact OE2-CD 3.24Å; E217-R272 WeakPolarHBondContact OE2-CD 3.15Å; E217-R272 VanDerWaalsContact OE2-CG 3.28Å; E217-R272 WeakPolarHBondContact OE2-CG 3.13Å; R218-R272 VanDerWaalsContact CZ-O 3.28Å; R218-R272 PolarHBondContact NE-O 2.82Å; R218-R272 PolarHBondContact NH2-O 3.07Å; R272-V274 PolarHBondContact NH2-O 3.43Å; R272-A275 CarbonylContact C-O 3.07Å; R272-A275 WeakPolarHBondContact CA-O 3.4Å; R272-A275 WeakPolarHBondContact CB-O 3.28Å; R272-W297 HydrophobicContact CB-CB 4.25Å; R272-W297 HydrophobicContact CB-CG 4.17Å
273G97.8Very high98.8Very high5 Ų515.4 Ų15.45%0.0528%0.076CC..SBendtrans-118.1-124.5164.800000109.6T214 A275T214-G273 CarbonylContact O-C 3.59Å; T214-G273 WeakPolarHBondContact OG1-CA 3.47Å; G273-A275 VanDerWaalsContact C-N 3.25Å; G273-A275 CarbonylContact C-O 3.54Å; G273-A275 PolarHBondContact N-O 3.17Å; G273-A275 PolarHBondContact O-N 3.35Å
274V98.2Very high98.8Very high61 Ų6115.5 Ų15.537%0.378%0.076SC..SBendtrans-58-441681770000110D133 Y134 R272D133-V274 HydrophobicContact CB-CB 4.03Å; D133-V274 HydrophobicContact CB-CG1 3.65Å; Y134-V274 HydrophobicContact CD2-CG1 3.92Å; R272-V274 PolarHBondContact NH2-O 3.43Å
275A98.5Very high98.8Very high3 Ų312 Ų123%0.0256%0.061CC..SBendtrans-132.3-146.817000000109.8D133 F150 R272 G273 W297D133-A275 WeakPolarHBondContact O-CB 3.24Å; F150-A275 HydrophobicContact CE1-CB 4.35Å; F150-A275 HydrophobicContact CZ-CB 4.09Å; R272-A275 CarbonylContact C-O 3.07Å; R272-A275 WeakPolarHBondContact CA-O 3.4Å; R272-A275 WeakPolarHBondContact CB-O 3.28Å; G273-A275 VanDerWaalsContact C-N 3.25Å; G273-A275 CarbonylContact C-O 3.54Å; G273-A275 PolarHBondContact N-O 3.17Å; G273-A275 PolarHBondContact O-N 3.35Å; A275-W297 HydrophobicContact CB-CD2 4.3Å; A275-W297 HydrophobicContact CB-CE3 3.45Å; A275-W297 VanDerWaalsContact CB-CE3 3.45Å; A275-W297 HydrophobicContact CB-CH2 4.16Å; A275-W297 HydrophobicContact CB-CZ3 3.37Å
276A98.7Very high98.8Very high10 Ų1011 Ų118%0.0836%0.057CC..SBendtrans-58157.4167.800000111.6S151 W297 E299 Y302S151-A276 WeakPolarHBondContact OG-CB 3.48Å; S151-A276 PolarHBondContact OG-N 2.99Å; A276-W297 HydrophobicContact CB-CB 4.32Å; A276-E299 HydrophobicContact CB-CG 3.69Å; A276-Y302 HydrophobicContact CB-CE2 4.27Å
277S98.8Very high98.8Very high19 Ų1911.1 Ų11.113%0.1336%0.062CC..  trans-114.3126-176.1-171.10000111.8F271 R279 F280 Y302F271-S277 WeakPolarHBondContact O-CB 3.46Å; S277-R279 PolarHBondContact O-N 3.13Å; S277-R279 PolarHBondContact OG-NH1 3.14Å; S277-F280 PolarHBondContact O-N 3.13Å; S277-Y302 PolarHBondContact O-OH 2.81Å
278F98.8Very high98.8Very high18 Ų1811.1 Ų11.18%0.0796%0.062CC..THydrogen-bonded Turntrans-54.7-19.4175.3-54.9-34.5000114.6F150 A163 W164 T165 P171 L181 F280 H282F150-F278 AromaticContact CD2-CE1 3.61Å; F150-F278 HydrophobicContact CD2-CE1 3.61Å; F150-F278 HydrophobicContact CD2-CZ 4.29Å; F150-F278 HydrophobicContact CE2-CD1 4.12Å; F150-F278 AromaticContact CE2-CE1 3.33Å; F150-F278 HydrophobicContact CE2-CE1 3.33Å; F150-F278 AromaticContact CE2-CZ 3.99Å; F150-F278 HydrophobicContact CE2-CZ 3.99Å; F150-F278 HydrophobicContact CG-CE1 4.47Å; F150-F278 HydrophobicContact CZ-CE1 4.02Å; F150-F278 HydrophobicContact CZ-CZ 4.26Å; A163-F278 HydrophobicContact CB-CD1 4.49Å; A163-F278 HydrophobicContact CB-CE1 3.63Å; A163-F278 HydrophobicContact CB-CZ 4.13Å; W164-F278 AromaticContact CE2-CZ 3.98Å; W164-F278 AromaticContact CZ2-CZ 3.9Å; W164-F278 HydrophobicContact CZ2-CZ 3.9Å; W164-F278 AromaticContact NE1-CZ 3.9Å; T165-F278 HydrophobicContact CG2-CB 4.3Å; T165-F278 HydrophobicContact CG2-CD1 3.66Å; T165-F278 HydrophobicContact CG2-CD2 3.87Å; T165-F278 HydrophobicContact CG2-CE1 3.8Å; T165-F278 HydrophobicContact CG2-CE2 4.03Å; T165-F278 HydrophobicContact CG2-CG 3.7Å; T165-F278 HydrophobicContact CG2-CZ 4Å; P171-F278 HydrophobicContact CG-CD2 4.33Å; L181-F278 HydrophobicContact CD2-CB 4.21Å; F278-F280 PolarHBondContact O-N 2.77Å; F278-H282 PolarHBondContact O-CE1 3.31Å; F278-H282 PolarHBondContact O-ND1 3.28Å
279R98.9Very high98.8Very high40 Ų4011.1 Ų11.115%0.1516%0.062CC..Hα-helixtrans-53.4-39174.6176.7-179.2-71.186.14.8111.8R210 L259 S277 K281 H282 L283R210-R279 PolarHBondContact O-NH2 3.33Å; L259-R279 HydrophobicContact CD2-CG 4.44Å; S277-R279 PolarHBondContact O-N 3.13Å; S277-R279 PolarHBondContact OG-NH1 3.14Å; R279-K281 PolarHBondContact O-N 3.29Å; R279-H282 WeakPolarHBondContact O-CB 3.31Å; R279-H282 PolarHBondContact O-N 2.77Å; R279-L283 HydrophobicContact CG-CD1 3.98Å; R279-L283 HydrophobicContact CG-CD2 3.72Å; R279-L283 HydrophobicContact CG-CG 3.89Å; R279-L283 PolarHBondContact O-N 3.01Å
280F98.9Very high98.8Very high1 Ų111 Ų110%0.0046%0.062CC..Hα-helixtrans-53.1-54.3-165.7-170-141.4000113.7N270 S277 F278 H282 L283 F284 V290 H292 F301 Y302 L305 Y311N270-F280 HydrophobicContact CB-CD2 3.65Å; N270-F280 HydrophobicContact CB-CE2 4.29Å; N270-F280 HydrophobicContact CB-CG 4.46Å; N270-F280 VanDerWaalsContact CG-CD2 3.45Å; N270-F280 WeakPolarHBondContact ND2-CB 3.28Å; N270-F280 VanDerWaalsContact ND2-CD2 3.28Å; N270-F280 WeakPolarHBondContact ND2-CD2 3.21Å; N270-F280 WeakPolarHBondContact ND2-CG 3.5Å; N270-F280 PolarHBondContact OD1-N 2.55Å; S277-F280 PolarHBondContact O-N 3.13Å; F278-F280 PolarHBondContact O-N 2.77Å; F280-H282 PolarHBondContact O-N 3.22Å; F280-L283 PolarHBondContact O-N 3.13Å; F280-F284 HydrophobicContact CD1-CE2 4.16Å; F280-F284 AromaticContact CD2-CE2 3.61Å; F280-F284 HydrophobicContact CD2-CE2 3.61Å; F280-F284 HydrophobicContact CD2-CZ 4.07Å; F280-F284 HydrophobicContact CE1-CE2 4.02Å; F280-F284 HydrophobicContact CE1-CZ 4.27Å; F280-F284 AromaticContact CE2-CE2 3.41Å; F280-F284 HydrophobicContact CE2-CE2 3.41Å; F280-F284 VanDerWaalsContact CE2-CE2 3.41Å; F280-F284 AromaticContact CE2-CZ 3.38Å; F280-F284 HydrophobicContact CE2-CZ 3.38Å; F280-F284 HydrophobicContact CG-CE2 4.01Å; F280-F284 AromaticContact CZ-CE2 3.64Å; F280-F284 HydrophobicContact CZ-CE2 3.64Å; F280-F284 AromaticContact CZ-CZ 3.52Å; F280-F284 HydrophobicContact CZ-CZ 3.52Å; F280-F284 VanDerWaalsContact O-CD2 3.24Å; F280-F284 WeakPolarHBondContact O-CD2 3.46Å; F280-V290 HydrophobicContact CD2-CG1 3.98Å; F280-V290 HydrophobicContact CE2-CG1 3.69Å; F280-H292 AromaticContact CE1-CD2 3.97Å; F280-H292 HydrophobicContact CE2-CB 3.86Å; F280-H292 AromaticContact CE2-CD2 3.85Å; F280-H292 AromaticContact CE2-CG 3.77Å; F280-H292 HydrophobicContact CZ-CB 4.18Å; F280-H292 AromaticContact CZ-CD2 3.42Å; F280-H292 VanDerWaalsContact CZ-CD2 3.42Å; F280-H292 WeakPolarHBondContact CZ-CD2 3.49Å; F280-H292 AromaticContact CZ-CG 3.84Å; F280-F301 HydrophobicContact CD1-CE2 4.2Å; F280-Y302 WeakPolarHBondContact CB-OH 3.3Å; F280-Y302 HydrophobicContact CD1-CD1 4.03Å; F280-Y302 HydrophobicContact CD1-CD2 4.29Å; F280-Y302 AromaticContact CD1-CE1 3.49Å; F280-Y302 HydrophobicContact CD1-CE1 3.49Å; F280-Y302 VanDerWaalsContact CD1-CE1 3.49Å; F280-Y302 AromaticContact CD1-CE2 3.78Å; F280-Y302 HydrophobicContact CD1-CE2 3.78Å; F280-Y302 HydrophobicContact CD1-CG 4.41Å; F280-Y302 AromaticContact CD1-CZ 3.32Å; F280-Y302 WeakPolarHBondContact CD1-OH 3.23Å; F280-Y302 HydrophobicContact CE1-CD1 4.26Å; F280-Y302 HydrophobicContact CE1-CD2 4.16Å; F280-Y302 HydrophobicContact CE1-CE1 4.15Å; F280-Y302 HydrophobicContact CE1-CE2 4.03Å; F280-Y302 HydrophobicContact CE1-CG 4.27Å; F280-Y302 HydrophobicContact CG-CE1 4.47Å; F280-L305 HydrophobicContact CD1-CD1 4.1Å; F280-L305 HydrophobicContact CE1-CD1 3.43Å; F280-L305 VanDerWaalsContact CE1-CD1 3.43Å; F280-L305 HydrophobicContact CZ-CD1 3.98Å; F280-Y311 HydrophobicContact CZ-CD1 4.1Å; F280-Y311 HydrophobicContact CZ-CE1 4.17Å
281K98.9Very high98.8Very high1 Ų111 Ų110%0.0046%0.062CC..Hα-helixtrans-58.3-31.6-178.961173176.6-74.50114F166 W184 R279 F301 L350F166-K281 HydrophobicContact CD1-CD 4.4Å; F166-K281 HydrophobicContact CE1-CD 3.55Å; F166-K281 HydrophobicContact CZ-CD 3.91Å; W184-K281 HydrophobicContact CD2-CD 4.07Å; W184-K281 HydrophobicContact CE3-CD 4Å; W184-K281 HydrophobicContact CH2-CB 4.11Å; W184-K281 HydrophobicContact CH2-CD 4.08Å; W184-K281 HydrophobicContact CH2-CG 4.07Å; W184-K281 HydrophobicContact CZ2-CB 4.44Å; W184-K281 HydrophobicContact CZ2-CD 4.15Å; W184-K281 HydrophobicContact CZ3-CD 4.02Å; W184-K281 HydrophobicContact CZ3-CG 4.07Å; R279-K281 PolarHBondContact O-N 3.29Å; K281-F301 HydrophobicContact CB-CE2 4.28Å; K281-F301 HydrophobicContact CB-CZ 3.9Å; K281-L350 HydrophobicContact CB-CD2 3.87Å; K281-L350 HydrophobicContact CD-CD2 4.21Å
282H98.9Very high98.8Very high3 Ų311.5 Ų11.51%0.0146%0.064CC..Hα-helixtrans-73.8-34.1-176.8-56.787.7000111.8W184 F187 L191 L259 F278 R279 F280 F284 L285W184-H282 AromaticContact CE3-NE2 3.89Å; W184-H282 AromaticContact CZ3-CD2 3.58Å; W184-H282 AromaticContact CZ3-NE2 3.9Å; F187-H282 AromaticContact CD1-CD2 3.78Å; L191-H282 HydrophobicContact CD1-CB 3.79Å; L259-H282 HydrophobicContact CD1-CB 3.92Å; L259-H282 HydrophobicContact CD2-CB 4.25Å; F278-H282 PolarHBondContact O-CE1 3.31Å; F278-H282 PolarHBondContact O-ND1 3.28Å; R279-H282 WeakPolarHBondContact O-CB 3.31Å; R279-H282 PolarHBondContact O-N 2.77Å; F280-H282 PolarHBondContact O-N 3.22Å; H282-F284 VanDerWaalsContact C-N 3.3Å; H282-F284 PolarHBondContact O-N 3.43Å; H282-L285 PolarHBondContact O-N 2.75Å
283L98.9Very high98.8Very high2 Ų29.4 Ų9.41%0.016%0.057CC..Hα-helixtrans-64.2-36.1-173.6-55.6-176.4000112.3L259 L268 N270 R279 F280 L285 C286 V290L259-L283 HydrophobicContact CD2-CD2 4.38Å; L268-L283 HydrophobicContact CB-CB 4.22Å; L268-L283 HydrophobicContact CB-CD1 4.03Å; L268-L283 HydrophobicContact CB-CD2 4.19Å; L268-L283 HydrophobicContact CB-CG 4.37Å; L268-L283 HydrophobicContact CD1-CB 4.14Å; L268-L283 HydrophobicContact CD1-CD2 4.03Å; N270-L283 HydrophobicContact CB-CD1 3.91Å; R279-L283 HydrophobicContact CG-CD1 3.98Å; R279-L283 HydrophobicContact CG-CD2 3.72Å; R279-L283 HydrophobicContact CG-CG 3.89Å; R279-L283 PolarHBondContact O-N 3.01Å; F280-L283 PolarHBondContact O-N 3.13Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.2Å; L283-C286 WeakPolarHBondContact O-CB 3.49Å; L283-C286 PolarHBondContact O-N 2.82Å; L283-V290 HydrophobicContact CB-CG1 4.46Å; L283-V290 HydrophobicContact CB-CG2 3.67Å; L283-V290 HydrophobicContact CD1-CG1 4.12Å
284F98.9Very high98.8Very high1 Ų19.9 Ų9.90%0.0046%0.062CC..Hα-helixtrans-63.3-36.8178.9-66.5-76.9000112.7F280 H282 C286 G287 V290 L305 H310 Y311 S343 I346F280-F284 HydrophobicContact CD1-CE2 4.16Å; F280-F284 AromaticContact CD2-CE2 3.61Å; F280-F284 HydrophobicContact CD2-CE2 3.61Å; F280-F284 HydrophobicContact CD2-CZ 4.07Å; F280-F284 HydrophobicContact CE1-CE2 4.02Å; F280-F284 HydrophobicContact CE1-CZ 4.27Å; F280-F284 AromaticContact CE2-CE2 3.41Å; F280-F284 HydrophobicContact CE2-CE2 3.41Å; F280-F284 VanDerWaalsContact CE2-CE2 3.41Å; F280-F284 AromaticContact CE2-CZ 3.38Å; F280-F284 HydrophobicContact CE2-CZ 3.38Å; F280-F284 HydrophobicContact CG-CE2 4.01Å; F280-F284 AromaticContact CZ-CE2 3.64Å; F280-F284 HydrophobicContact CZ-CE2 3.64Å; F280-F284 AromaticContact CZ-CZ 3.52Å; F280-F284 HydrophobicContact CZ-CZ 3.52Å; F280-F284 VanDerWaalsContact O-CD2 3.24Å; F280-F284 WeakPolarHBondContact O-CD2 3.46Å; H282-F284 VanDerWaalsContact C-N 3.3Å; H282-F284 PolarHBondContact O-N 3.43Å; F284-C286 PolarHBondContact O-N 3.05Å; F284-G287 PolarHBondContact O-N 2.83Å; F284-V290 HydrophobicContact CD1-CB 4.22Å; F284-V290 HydrophobicContact CD1-CG2 3.52Å; F284-V290 HydrophobicContact CD2-CG2 4.22Å; F284-V290 HydrophobicContact CE1-CB 3.78Å; F284-V290 HydrophobicContact CE1-CG1 4.39Å; F284-V290 HydrophobicContact CE1-CG2 3.6Å; F284-V290 HydrophobicContact CE2-CG2 4.3Å; F284-V290 HydrophobicContact CG-CG2 3.85Å; F284-V290 HydrophobicContact CZ-CB 4.03Å; F284-V290 HydrophobicContact CZ-CG1 4.12Å; F284-V290 HydrophobicContact CZ-CG2 4.01Å; F284-L305 HydrophobicContact CE2-CD1 3.95Å; F284-L305 HydrophobicContact CE2-CD2 4.5Å; F284-L305 HydrophobicContact CZ-CD1 4.15Å; F284-L305 HydrophobicContact CZ-CD2 4.21Å; F284-H310 WeakPolarHBondContact CE1-O 3.4Å; F284-Y311 HydrophobicContact CE1-CD1 4.49Å; F284-Y311 HydrophobicContact CZ-CD1 4.16Å; F284-S343 WeakPolarHBondContact O-CA 3.43Å; F284-S343 VanDerWaalsContact O-CB 3.25Å; F284-S343 WeakPolarHBondContact O-CB 3.43Å; F284-S343 PolarHBondContact O-OG 3.2Å; F284-I346 HydrophobicContact CB-CB 4.14Å; F284-I346 HydrophobicContact CB-CG1 3.64Å; F284-I346 HydrophobicContact CD2-CD1 4.23Å; F284-I346 HydrophobicContact CD2-CG1 3.74Å; F284-I346 HydrophobicContact CG-CG1 3.76Å
285L98.9Very high98.8Very high1 Ų113 Ų131%0.0058%0.076CC..Hα-helixtrans-72.5-9.8-178.9-66.5-174.5000113.6W184 R188 L191 A195 H282 L283 G287 I346 R347W184-L285 HydrophobicContact CH2-CD1 3.32Å; W184-L285 HydrophobicContact CH2-CG 4.13Å; W184-L285 HydrophobicContact CZ2-CD1 3.88Å; W184-L285 HydrophobicContact CZ3-CD1 4.01Å; R188-L285 HydrophobicContact CB-CD1 3.98Å; R188-L285 HydrophobicContact CG-CD1 3.65Å; L191-L285 HydrophobicContact CB-CB 3.64Å; L191-L285 HydrophobicContact CB-CD1 4.44Å; L191-L285 HydrophobicContact CD1-CB 4.07Å; L191-L285 HydrophobicContact CD1-CD1 4.26Å; L191-L285 HydrophobicContact CG-CB 4.44Å; A195-L285 VanDerWaalsContact CB-O 3.31Å; A195-L285 WeakPolarHBondContact CB-O 3.41Å; H282-L285 PolarHBondContact O-N 2.75Å; L283-L285 VanDerWaalsContact C-N 3.32Å; L283-L285 PolarHBondContact O-N 3.2Å; L285-G287 PolarHBondContact O-N 2.95Å; L285-I346 HydrophobicContact CD1-CG2 4.21Å; L285-I346 HydrophobicContact CD2-CB 4.17Å; L285-I346 HydrophobicContact CD2-CG2 3.77Å; L285-I346 HydrophobicContact CG-CG2 3.79Å; L285-R347 HydrophobicContact CD2-CB 4.48Å; L285-R347 HydrophobicContact CD2-CG 3.46Å; L285-R347 VanDerWaalsContact CD2-CG 3.46Å
286C98.9Very high98.9Very high1 Ų117.9 Ų17.91%0.00710%0.098CC..THydrogen-bonded Turntrans-71.1-11.1167.6-77.20000113.8A195 K203 C263 L268 L283 F284 S288A195-C286 VanDerWaalsContact CB-C 3.49Å; A195-C286 WeakPolarHBondContact CB-O 3.32Å; K203-C286 PolarHBondContact NZ-O 3.43Å; C263-C286 WeakPolarHBondContact CA-SG 3.38Å; C263-C286 HydrophobicContact CB-CB 3.46Å; C263-C286 VanDerWaalsContact CB-CB 3.46Å; C263-C286 WeakPolarHBondContact CB-SG 3.42Å; C263-C286 PolarHBondContact N-SG 3.15Å; C263-C286 VanDerWaalsContact N-SG 3.44Å; C263-C286 WeakPolarHBondContact SG-CA 3.38Å; C263-C286 WeakPolarHBondContact SG-CB 3.48Å; C263-C286 CovalentContact SG-SG 2.05Å; C263-C286 PolarHBondContact SG-SG 3.39Å; L268-C286 HydrophobicContact CD1-CB 4.06Å; L283-C286 WeakPolarHBondContact O-CB 3.49Å; L283-C286 PolarHBondContact O-N 2.82Å; F284-C286 PolarHBondContact O-N 3.05Å; C286-S288 PolarHBondContact O-N 2.73Å
287G98.8Very high98.9Very high17 Ų1718.1 Ų18.118%0.17510%0.097CC..THydrogen-bonded Turntrans63.923.2-168.200000112.4K203 F284 L285K203-G287 WeakPolarHBondContact CE-O 3.3Å; F284-G287 PolarHBondContact O-N 2.83Å; L285-G287 PolarHBondContact O-N 2.95Å
288S98.9Very high98.9Very high0 Ų019.3 Ų19.30%010%0.102CC..PPolyproline II helixtrans-98.8153.7176.9-63.50000109.5Y265 K266 C286 V290Y265-S288 VanDerWaalsContact O-CB 3.3Å; Y265-S288 WeakPolarHBondContact O-CB 3.12Å; Y265-S288 PolarHBondContact O-OG 3.5Å; K266-S288 CarbonylContact O-C 3.6Å; K266-S288 WeakPolarHBondContact O-CB 3.39Å; C286-S288 PolarHBondContact O-N 2.73Å; S288-V290 PolarHBondContact O-N 3.4Å
289L98.9Very high98.9Very high0 Ų018.5 Ų18.50%010%0.098CC..EExtended strand (participates in β ladder)trans-76.2118.9176.1-177.957.7000110.1W200 K266 Y267 L268 F291 I312 V328 A335 I338 A339W200-L289 HydrophobicContact CH2-CB 3.92Å; W200-L289 HydrophobicContact CZ3-CB 4.09Å; K266-L289 PolarHBondContact O-N 3.24Å; Y267-L289 WeakPolarHBondContact CA-O 3.46Å; Y267-L289 HydrophobicContact CD1-CB 4.27Å; Y267-L289 HydrophobicContact CD1-CD2 4.39Å; L268-L289 PolarHBondContact N-O 3.32Å; L289-F291 HydrophobicContact CD2-CE2 3.94Å; L289-F291 HydrophobicContact CG-CD2 4.4Å; L289-F291 HydrophobicContact CG-CE2 4.01Å; L289-I312 HydrophobicContact CD1-CD1 4.48Å; L289-I312 HydrophobicContact CD1-CG1 3.99Å; L289-I312 HydrophobicContact CD2-CD1 4.22Å; L289-I312 HydrophobicContact CD2-CG1 3.72Å; L289-I312 HydrophobicContact CG-CG1 3.93Å; L289-V328 HydrophobicContact CD2-CB 4.18Å; L289-V328 HydrophobicContact CD2-CG1 3.75Å; L289-A335 HydrophobicContact CD2-CB 3.74Å; L289-I338 HydrophobicContact CD1-CB 3.78Å; L289-I338 HydrophobicContact CD1-CG2 3.49Å; L289-I338 VanDerWaalsContact CD1-CG2 3.49Å; L289-A339 HydrophobicContact CB-CB 4Å; L289-A339 HydrophobicContact CD1-CB 4.28Å
290V99Very high98.9Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans-82.9133.1178.8-1750000110.3L268 N270 F280 L283 F284 S288 Y311 I312L268-V290 CarbonylContact O-C 3.6Å; L268-V290 WeakPolarHBondContact O-CA 3.43Å; N270-V290 HydrophobicContact CB-CG1 4.36Å; F280-V290 HydrophobicContact CD2-CG1 3.98Å; F280-V290 HydrophobicContact CE2-CG1 3.69Å; L283-V290 HydrophobicContact CB-CG1 4.46Å; L283-V290 HydrophobicContact CB-CG2 3.67Å; L283-V290 HydrophobicContact CD1-CG1 4.12Å; F284-V290 HydrophobicContact CD1-CB 4.22Å; F284-V290 HydrophobicContact CD1-CG2 3.52Å; F284-V290 HydrophobicContact CD2-CG2 4.22Å; F284-V290 HydrophobicContact CE1-CB 3.78Å; F284-V290 HydrophobicContact CE1-CG1 4.39Å; F284-V290 HydrophobicContact CE1-CG2 3.6Å; F284-V290 HydrophobicContact CE2-CG2 4.3Å; F284-V290 HydrophobicContact CG-CG2 3.85Å; F284-V290 HydrophobicContact CZ-CB 4.03Å; F284-V290 HydrophobicContact CZ-CG1 4.12Å; F284-V290 HydrophobicContact CZ-CG2 4.01Å; S288-V290 PolarHBondContact O-N 3.4Å; V290-Y311 WeakPolarHBondContact O-CB 3.25Å; V290-I312 PolarHBondContact O-N 2.82Å
291F98.9Very high98.9Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans-106.3106.4169.4-81.3-112.9000107.8Y267 L268 F269 N270 L289 I312 V314 L324 L325 V328Y267-F291 AromaticContact CD1-CE2 3.94Å; Y267-F291 HydrophobicContact CD1-CE2 3.94Å; Y267-F291 HydrophobicContact CG-CE2 4.15Å; L268-F291 PolarHBondContact O-N 3.07Å; F269-F291 CarbonylContact C-O 3.59Å; F269-F291 WeakPolarHBondContact CA-O 3.35Å; F269-F291 HydrophobicContact CD1-CB 3.8Å; F269-F291 HydrophobicContact CD2-CB 4.03Å; F269-F291 HydrophobicContact CD2-CG 4.46Å; F269-F291 HydrophobicContact CE1-CB 3.76Å; F269-F291 HydrophobicContact CE1-CD1 4.1Å; F269-F291 HydrophobicContact CE1-CG 4.22Å; F269-F291 HydrophobicContact CE2-CB 3.94Å; F269-F291 HydrophobicContact CE2-CD1 4.18Å; F269-F291 HydrophobicContact CE2-CD2 4.45Å; F269-F291 AromaticContact CE2-CG 3.94Å; F269-F291 HydrophobicContact CE2-CG 3.94Å; F269-F291 HydrophobicContact CG-CB 3.95Å; F269-F291 HydrophobicContact CZ-CB 3.82Å; F269-F291 AromaticContact CZ-CD1 3.66Å; F269-F291 HydrophobicContact CZ-CD1 3.66Å; F269-F291 HydrophobicContact CZ-CE1 4.42Å; F269-F291 AromaticContact CZ-CG 3.83Å; F269-F291 HydrophobicContact CZ-CG 3.83Å; N270-F291 PolarHBondContact N-O 2.78Å; L289-F291 HydrophobicContact CD2-CE2 3.94Å; L289-F291 HydrophobicContact CG-CD2 4.4Å; L289-F291 HydrophobicContact CG-CE2 4.01Å; F291-I312 WeakPolarHBondContact CA-O 3.36Å; F291-I312 HydrophobicContact CD1-CB 4.02Å; F291-I312 HydrophobicContact CD1-CG2 3.87Å; F291-I312 HydrophobicContact CD2-CB 4.31Å; F291-I312 HydrophobicContact CD2-CG1 4.41Å; F291-I312 HydrophobicContact CE1-CB 4.04Å; F291-I312 HydrophobicContact CE1-CG1 4.34Å; F291-I312 HydrophobicContact CE1-CG2 3.69Å; F291-I312 HydrophobicContact CE2-CB 4.3Å; F291-I312 HydrophobicContact CE2-CG1 4.02Å; F291-I312 HydrophobicContact CG-CB 4.15Å; F291-I312 HydrophobicContact CZ-CB 4.17Å; F291-I312 HydrophobicContact CZ-CG1 3.98Å; F291-I312 HydrophobicContact CZ-CG2 4.17Å; F291-V314 HydrophobicContact CB-CG2 4Å; F291-V314 HydrophobicContact CD1-CG2 3.65Å; F291-V314 HydrophobicContact CG-CG2 4.3Å; F291-L324 HydrophobicContact CE1-CB 3.9Å; F291-L325 HydrophobicContact CE1-CD2 4.05Å; F291-L325 HydrophobicContact CE1-CG 4.34Å; F291-L325 HydrophobicContact CE2-CD2 4.45Å; F291-L325 HydrophobicContact CZ-CD2 3.91Å; F291-V328 HydrophobicContact CE2-CG2 4.36Å; F291-V328 HydrophobicContact CZ-CB 4.48Å; F291-V328 HydrophobicContact CZ-CG1 3.89Å; F291-V328 HydrophobicContact CZ-CG2 3.8Å
292H98.9Very high98.9Very high12 Ų1217 Ų176%0.0569%0.093CC..EExtended strand (participates in β ladder)trans-98.1118.3-179.3-171.68.6000110.1N270 F280 Y302 Y311 I312 V314N270-H292 PolarHBondContact ND2-CE1 3.43Å; N270-H292 PolarHBondContact ND2-ND1 2.77Å; F280-H292 AromaticContact CE1-CD2 3.97Å; F280-H292 HydrophobicContact CE2-CB 3.86Å; F280-H292 AromaticContact CE2-CD2 3.85Å; F280-H292 AromaticContact CE2-CG 3.77Å; F280-H292 HydrophobicContact CZ-CB 4.18Å; F280-H292 AromaticContact CZ-CD2 3.42Å; F280-H292 VanDerWaalsContact CZ-CD2 3.42Å; F280-H292 WeakPolarHBondContact CZ-CD2 3.49Å; F280-H292 AromaticContact CZ-CG 3.84Å; H292-Y302 AromaticContact NE2-CE2 3.86Å; H292-Y311 HydrophobicContact CB-CD2 3.56Å; H292-Y311 HydrophobicContact CB-CE2 3.71Å; H292-Y311 HydrophobicContact CB-CG 4.21Å; H292-I312 PolarHBondContact N-O 3.3Å; H292-V314 PolarHBondContact O-N 2.65Å
293V98.9Very high98.9Very high3 Ų319 Ų192%0.01811%0.106CC..EExtended strand (participates in β ladder)trans-91.5128.1178.8177.40000110.7F269 N270 F271 V314 L318F269-V293 HydrophobicContact CD1-CG2 4.08Å; F269-V293 HydrophobicContact CE1-CG2 4.46Å; N270-V293 PolarHBondContact O-N 3.13Å; F271-V293 HydrophobicContact CD1-CB 3.62Å; F271-V293 HydrophobicContact CD1-CG1 3.71Å; F271-V293 HydrophobicContact CD1-CG2 3.86Å; F271-V293 HydrophobicContact CE1-CB 3.74Å; F271-V293 HydrophobicContact CE1-CG1 3.71Å; F271-V293 HydrophobicContact CE1-CG2 3.51Å; F271-V293 HydrophobicContact CE2-CG2 4.22Å; F271-V293 HydrophobicContact CG-CB 4.2Å; F271-V293 HydrophobicContact CG-CG2 4.37Å; F271-V293 HydrophobicContact CZ-CB 4.37Å; F271-V293 HydrophobicContact CZ-CG2 3.67Å; V293-V314 WeakPolarHBondContact CA-O 3.32Å; V293-V314 HydrophobicContact CB-CB 4.4Å; V293-V314 HydrophobicContact CG2-CB 3.73Å; V293-V314 HydrophobicContact CG2-CG1 3.94Å; V293-V314 HydrophobicContact CG2-CG2 4.25Å; V293-L318 HydrophobicContact CB-CD1 4.25Å; V293-L318 HydrophobicContact CG1-CD1 3.39Å; V293-L318 HydrophobicContact CG2-CD1 3.81Å
294G98.6Very high98.9Very high15 Ų1520.9 Ų20.916%0.15511%0.114CC..  trans74.4169.3-177.500000113.1V314G294-V314 PolarHBondContact N-O 3.44Å
295D98.5Very high98.9Very high127 Ų12721 Ų2168%0.67912%0.115SC*.SBendtrans-137.82.7-174.756.5-6000113.7
296E98.7Very high98.9Very high105 Ų10524.7 Ų24.749%0.49113%0.131SC..SBendtrans-81.1-45.8-175.7-62.4-179.7-176.700113.8T153T153-E296 VanDerWaalsContact CA-O 3.28Å; T153-E296 WeakPolarHBondContact CA-O 3.48Å; T153-E296 WeakPolarHBondContact CB-O 3.49Å; T153-E296 HydrophobicContact CG2-CB 4.02Å; T153-E296 WeakPolarHBondContact CG2-O 3.02Å
297W98.8Very high98.9Very high15 Ų1527 Ų276%0.05715%0.146CC..  trans-90.5120.7-169.1-76.388.2000112.2Y134 P135 T153 R272 A275 A276 Y302Y134-W297 AromaticContact CD2-CH2 3.7Å; Y134-W297 HydrophobicContact CD2-CH2 3.7Å; Y134-W297 HydrophobicContact CD2-CZ2 4.35Å; Y134-W297 HydrophobicContact CE1-CH2 4.36Å; Y134-W297 AromaticContact CE2-CH2 3.22Å; Y134-W297 HydrophobicContact CE2-CH2 3.22Å; Y134-W297 AromaticContact CE2-CZ2 3.5Å; Y134-W297 HydrophobicContact CE2-CZ2 3.5Å; Y134-W297 VanDerWaalsContact CE2-CZ2 3.5Å; Y134-W297 HydrophobicContact CE2-CZ3 4.38Å; Y134-W297 HydrophobicContact CG-CH2 4.45Å; Y134-W297 AromaticContact CZ-CH2 3.59Å; Y134-W297 AromaticContact CZ-CZ2 3.84Å; P135-W297 HydrophobicContact CG-CH2 4.13Å; P135-W297 HydrophobicContact CG-CZ3 4.07Å; T153-W297 HydrophobicContact CG2-CD2 3.72Å; T153-W297 HydrophobicContact CG2-CE3 4.05Å; T153-W297 HydrophobicContact CG2-CG 4.08Å; T153-W297 HydrophobicContact CG2-CH2 4.38Å; T153-W297 HydrophobicContact CG2-CZ2 4.05Å; T153-W297 HydrophobicContact CG2-CZ3 4.37Å; R272-W297 HydrophobicContact CB-CB 4.25Å; R272-W297 HydrophobicContact CB-CG 4.17Å; A275-W297 HydrophobicContact CB-CD2 4.3Å; A275-W297 HydrophobicContact CB-CE3 3.45Å; A275-W297 VanDerWaalsContact CB-CE3 3.45Å; A275-W297 HydrophobicContact CB-CH2 4.16Å; A275-W297 HydrophobicContact CB-CZ3 3.37Å; A276-W297 HydrophobicContact CB-CB 4.32Å; W297-Y302 WeakPolarHBondContact O-CD2 3.47Å; W297-Y302 VanDerWaalsContact O-CE2 3.31Å; W297-Y302 WeakPolarHBondContact O-CE2 3.49Å
298L98.9Very high98.9Very high43 Ų4327.3 Ų27.323%0.22514%0.142CC..EExtended strand (participates in β ladder)trans-115.3150-171.4-53177.3000112S151 K152 M160 Y302S151-L298 WeakPolarHBondContact CA-O 3.31Å; S151-L298 WeakPolarHBondContact CB-O 3.47Å; S151-L298 PolarHBondContact OG-O 2.65Å; K152-L298 PolarHBondContact N-O 3.38Å; K152-L298 PolarHBondContact O-N 2.76Å; M160-L298 HydrophobicContact CE-CB 4.47Å; M160-L298 HydrophobicContact SD-CB 3.93Å; L298-Y302 HydrophobicContact CD2-CD2 4.13Å; L298-Y302 HydrophobicContact CD2-CG 4.49Å
299E98.9Very high98.9Very high1 Ų127.4 Ų27.41%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-109166.8148.8-57.1179-117.800107.6F150 A276 F301 Y302F150-E299 HydrophobicContact CD2-CG 4.15Å; F150-E299 HydrophobicContact CE2-CG 4.17Å; A276-E299 HydrophobicContact CB-CG 3.69Å; E299-F301 HydrophobicContact CB-CD1 4.03Å; E299-F301 HydrophobicContact CB-CE1 3.73Å; E299-F301 HydrophobicContact CG-CE1 4.35Å; E299-F301 PolarHBondContact O-N 3.45Å; E299-Y302 HydrophobicContact CB-CD1 3.66Å; E299-Y302 HydrophobicContact CB-CE1 3.53Å; E299-Y302 HydrophobicContact CG-CD1 4.25Å; E299-Y302 HydrophobicContact CG-CE1 3.61Å; E299-Y302 WeakPolarHBondContact O-CB 3.41Å; E299-Y302 PolarHBondContact O-N 3.13Å; E299-Y302 PolarHBondContact OE1-OH 2.91Å
300F98.9Very high98.9Very high1 Ų127.6 Ų27.60%0.00414%0.143CC..THydrogen-bonded Turntrans-52.8-30.9-171.285.5-83.5000115.1Y57 V60 M160 P162 F166 P303 L350 I355 Y358Y57-F300 HydrophobicContact CD1-CD2 4.46Å; Y57-F300 HydrophobicContact CD1-CE2 4.33Å; Y57-F300 AromaticContact CD2-CE2 3.99Å; Y57-F300 HydrophobicContact CD2-CE2 3.99Å; Y57-F300 HydrophobicContact CE2-CE2 4.32Å; Y57-F300 HydrophobicContact CG-CD2 4.26Å; Y57-F300 AromaticContact CG-CE2 3.99Å; Y57-F300 HydrophobicContact CG-CE2 3.99Å; V60-F300 WeakPolarHBondContact CG2-O 3.27Å; M160-F300 HydrophobicContact CB-CB 4.09Å; P162-F300 HydrophobicContact CB-CD1 4.04Å; P162-F300 HydrophobicContact CB-CE1 3.69Å; P162-F300 HydrophobicContact CB-CZ 4.32Å; P162-F300 HydrophobicContact CG-CD1 4.01Å; P162-F300 HydrophobicContact CG-CE1 3.83Å; P162-F300 HydrophobicContact CG-CG 4.45Å; P162-F300 HydrophobicContact CG-CZ 4.12Å; F166-F300 AromaticContact CE2-CE1 3.94Å; F166-F300 HydrophobicContact CE2-CE1 3.94Å; F166-F300 HydrophobicContact CZ-CE1 4.17Å; F300-P303 WeakPolarHBondContact O-CD 3.13Å; F300-L350 HydrophobicContact CE1-CD1 4.31Å; F300-L350 HydrophobicContact CZ-CD1 3.77Å; F300-I355 HydrophobicContact CE1-CD1 4.09Å; F300-I355 HydrophobicContact CZ-CD1 3.79Å; F300-Y358 HydrophobicContact CB-CE1 4Å; F300-Y358 AromaticContact CD2-CD1 3.91Å; F300-Y358 HydrophobicContact CD2-CD1 3.91Å; F300-Y358 AromaticContact CD2-CD2 3.58Å; F300-Y358 HydrophobicContact CD2-CD2 3.58Å; F300-Y358 AromaticContact CD2-CE1 3.81Å; F300-Y358 HydrophobicContact CD2-CE1 3.81Å; F300-Y358 AromaticContact CD2-CE2 3.52Å; F300-Y358 HydrophobicContact CD2-CE2 3.52Å; F300-Y358 AromaticContact CD2-CG 3.76Å; F300-Y358 HydrophobicContact CD2-CG 3.76Å; F300-Y358 AromaticContact CD2-CZ 3.62Å; F300-Y358 HydrophobicContact CE2-CD1 4.23Å; F300-Y358 AromaticContact CE2-CD2 3.74Å; F300-Y358 HydrophobicContact CE2-CD2 3.74Å; F300-Y358 HydrophobicContact CE2-CE2 4.16Å; F300-Y358 AromaticContact CE2-CG 3.76Å; F300-Y358 HydrophobicContact CE2-CG 3.76Å; F300-Y358 HydrophobicContact CG-CD1 4.31Å; F300-Y358 HydrophobicContact CG-CE1 4Å; F300-Y358 HydrophobicContact CG-CE2 4.4Å
301F98.9Very high98.9Very high0 Ų028.8 Ų28.80%015%0.148CC..THydrogen-bonded Turntrans-87.7-12.9-177.566.8-88.6000113.9Y57 F166 F280 K281 E299 P303 Q304 L305 I346 L350Y57-F301 HydrophobicContact CD1-CB 4.26Å; Y57-F301 HydrophobicContact CE1-CB 3.65Å; F166-F301 HydrophobicContact CZ-CE1 4.35Å; F280-F301 HydrophobicContact CD1-CE2 4.2Å; K281-F301 HydrophobicContact CB-CE2 4.28Å; K281-F301 HydrophobicContact CB-CZ 3.9Å; E299-F301 HydrophobicContact CB-CD1 4.03Å; E299-F301 HydrophobicContact CB-CE1 3.73Å; E299-F301 HydrophobicContact CG-CE1 4.35Å; E299-F301 PolarHBondContact O-N 3.45Å; F301-P303 VanDerWaalsContact C-CD 3.48Å; F301-Q304 PolarHBondContact O-N 2.99Å; F301-L305 HydrophobicContact CD2-CD1 3.73Å; F301-L305 HydrophobicContact CE2-CD1 3.69Å; F301-I346 HydrophobicContact CD2-CD1 4.49Å; F301-I346 HydrophobicContact CE2-CD1 4.42Å; F301-L350 HydrophobicContact CB-CD1 3.76Å; F301-L350 HydrophobicContact CD1-CD1 4.04Å; F301-L350 HydrophobicContact CD1-CD2 4.15Å; F301-L350 HydrophobicContact CD2-CD1 4.47Å; F301-L350 HydrophobicContact CD2-CD2 3.95Å; F301-L350 HydrophobicContact CE1-CD2 4.21Å; F301-L350 HydrophobicContact CE2-CD2 4Å; F301-L350 HydrophobicContact CG-CD1 3.84Å; F301-L350 HydrophobicContact CG-CD2 4.02Å; F301-L350 HydrophobicContact CZ-CD2 4.13Å
302Y98.9Very high98.9Very high11 Ų1128.8 Ų28.84%0.04315%0.148CC..G310 helixtrans-59.3-40.7-174.9-79.839.1000113.2A276 S277 F280 H292 W297 L298 E299 Q304 L305A276-Y302 HydrophobicContact CB-CE2 4.27Å; S277-Y302 PolarHBondContact O-OH 2.81Å; F280-Y302 WeakPolarHBondContact CB-OH 3.3Å; F280-Y302 HydrophobicContact CD1-CD1 4.03Å; F280-Y302 HydrophobicContact CD1-CD2 4.29Å; F280-Y302 AromaticContact CD1-CE1 3.49Å; F280-Y302 HydrophobicContact CD1-CE1 3.49Å; F280-Y302 VanDerWaalsContact CD1-CE1 3.49Å; F280-Y302 AromaticContact CD1-CE2 3.78Å; F280-Y302 HydrophobicContact CD1-CE2 3.78Å; F280-Y302 HydrophobicContact CD1-CG 4.41Å; F280-Y302 AromaticContact CD1-CZ 3.32Å; F280-Y302 WeakPolarHBondContact CD1-OH 3.23Å; F280-Y302 HydrophobicContact CE1-CD1 4.26Å; F280-Y302 HydrophobicContact CE1-CD2 4.16Å; F280-Y302 HydrophobicContact CE1-CE1 4.15Å; F280-Y302 HydrophobicContact CE1-CE2 4.03Å; F280-Y302 HydrophobicContact CE1-CG 4.27Å; F280-Y302 HydrophobicContact CG-CE1 4.47Å; H292-Y302 AromaticContact NE2-CE2 3.86Å; W297-Y302 WeakPolarHBondContact O-CD2 3.47Å; W297-Y302 VanDerWaalsContact O-CE2 3.31Å; W297-Y302 WeakPolarHBondContact O-CE2 3.49Å; L298-Y302 HydrophobicContact CD2-CD2 4.13Å; L298-Y302 HydrophobicContact CD2-CG 4.49Å; E299-Y302 HydrophobicContact CB-CD1 3.66Å; E299-Y302 HydrophobicContact CB-CE1 3.53Å; E299-Y302 HydrophobicContact CG-CD1 4.25Å; E299-Y302 HydrophobicContact CG-CE1 3.61Å; E299-Y302 WeakPolarHBondContact O-CB 3.41Å; E299-Y302 PolarHBondContact O-N 3.13Å; E299-Y302 PolarHBondContact OE1-OH 2.91Å; Y302-Q304 PolarHBondContact O-N 2.89Å; Y302-L305 PolarHBondContact O-N 2.71Å
303P98.8Very high98.9Very high44 Ų4429.7 Ų29.729%0.28616%0.155SC..G310 helixtrans-58.2-23.2-179.9-2938.7000114.5V60 F300 F301 K306V60-P303 HydrophobicContact CG2-CB 4.01Å; V60-P303 HydrophobicContact CG2-CG 3.81Å; F300-P303 WeakPolarHBondContact O-CD 3.13Å; F301-P303 VanDerWaalsContact C-CD 3.48Å; P303-K306 VanDerWaalsContact O-CE 3.27Å; P303-K306 WeakPolarHBondContact O-CE 3.42Å; P303-K306 PolarHBondContact O-NZ 2.95Å
304Q98.8Very high98.9Very high41 Ų4129.9 Ų29.919%0.19216%0.156CC..G310 helixtrans-85.1-19.9175.8-70.5-61.6-36.100113.6C56 Y57 F301 Y302 K306 F345C56-Q304 VanDerWaalsContact O-CG 3.23Å; C56-Q304 WeakPolarHBondContact O-CG 3.4Å; C56-Q304 PolarHBondContact O-NE2 3.05Å; Y57-Q304 HydrophobicContact CD1-CB 4.27Å; Y57-Q304 HydrophobicContact CD1-CG 3.65Å; Y57-Q304 HydrophobicContact CE1-CB 3.87Å; Y57-Q304 HydrophobicContact CE1-CG 3.73Å; F301-Q304 PolarHBondContact O-N 2.99Å; Y302-Q304 PolarHBondContact O-N 2.89Å; Q304-K306 PolarHBondContact O-N 2.93Å; Q304-K306 VanDerWaalsContact O-N 3.13Å; Q304-F345 HydrophobicContact CB-CE1 4.19Å; Q304-F345 HydrophobicContact CB-CE2 4.03Å; Q304-F345 HydrophobicContact CB-CZ 3.4Å; Q304-F345 HydrophobicContact CG-CZ 4.38Å
305L98.9Very high98.9Very high4 Ų435 Ų352%0.02117%0.174CC..SBendtrans-79.597.7171.4-70.3168.1000109.5F280 F284 F301 Y302 H310 Y311 F345 I346F280-L305 HydrophobicContact CD1-CD1 4.1Å; F280-L305 HydrophobicContact CE1-CD1 3.43Å; F280-L305 VanDerWaalsContact CE1-CD1 3.43Å; F280-L305 HydrophobicContact CZ-CD1 3.98Å; F284-L305 HydrophobicContact CE2-CD1 3.95Å; F284-L305 HydrophobicContact CE2-CD2 4.5Å; F284-L305 HydrophobicContact CZ-CD1 4.15Å; F284-L305 HydrophobicContact CZ-CD2 4.21Å; F301-L305 HydrophobicContact CD2-CD1 3.73Å; F301-L305 HydrophobicContact CE2-CD1 3.69Å; Y302-L305 PolarHBondContact O-N 2.71Å; L305-H310 HydrophobicContact CD2-CB 4.05Å; L305-Y311 HydrophobicContact CB-CD1 4.31Å; L305-Y311 HydrophobicContact CB-CE1 3.86Å; L305-Y311 WeakPolarHBondContact O-CE1 3.38Å; L305-Y311 PolarHBondContact O-OH 3.06Å; L305-F345 HydrophobicContact CD2-CD1 3.45Å; L305-F345 VanDerWaalsContact CD2-CD1 3.45Å; L305-F345 HydrophobicContact CD2-CE1 3.97Å; L305-F345 HydrophobicContact CD2-CG 4.13Å; L305-F345 HydrophobicContact CG-CD1 4.13Å; L305-F345 HydrophobicContact CG-CE1 4.14Å; L305-I346 HydrophobicContact CD1-CD1 4.2Å; L305-I346 HydrophobicContact CD2-CD1 4.19Å
306K98.9Very high98.9Very high78 Ų7831.3 Ų31.334%0.33916%0.156SC..  trans-81.7134.6-179.8-50.2-53.5-175.7176.30113.2Y46 P303 Q304 V309 H310Y46-K306 HydrophobicContact CD2-CB 4.43Å; Y46-K306 HydrophobicContact CD2-CG 3.8Å; Y46-K306 HydrophobicContact CE2-CG 3.95Å; P303-K306 VanDerWaalsContact O-CE 3.27Å; P303-K306 WeakPolarHBondContact O-CE 3.42Å; P303-K306 PolarHBondContact O-NZ 2.95Å; Q304-K306 PolarHBondContact O-N 2.93Å; Q304-K306 VanDerWaalsContact O-N 3.13Å; K306-V309 HydrophobicContact CB-CB 3.99Å; K306-V309 HydrophobicContact CB-CG2 3.85Å; K306-V309 PolarHBondContact O-N 3Å; K306-H310 PolarHBondContact N-ND1 2.75Å; K306-H310 PolarHBondContact O-N 3.01Å; K306-H310 PolarHBondContact O-ND1 3.18Å
307P98.9Very high98.8Very high49 Ų4931.1 Ų31.132%0.31816%0.158SC..BIsolated β-bridgetrans-61.7146.5173.727-34.3000110.8V309 Y311 P313P307-V309 PolarHBondContact O-N 2.85Å; P307-Y311 HydrophobicContact CB-CE2 3.92Å; P307-P313 HydrophobicContact CB-CB 3.92Å; P307-P313 HydrophobicContact CB-CG 3.76Å
308W98.9Very high98.8Very high25 Ų2530.8 Ų30.810%0.09516%0.158CC..THydrogen-bonded Turntrans65.2-20.1-175.7-51.6108.7000116F35 Q38 I39 Y311 I312 P313 L324 F327F35-W308 AromaticContact CD1-CH2 3.54Å; F35-W308 HydrophobicContact CD1-CH2 3.54Å; F35-W308 HydrophobicContact CD1-CZ2 4.1Å; F35-W308 HydrophobicContact CD1-CZ3 4.26Å; F35-W308 HydrophobicContact CE1-CH2 4.01Å; F35-W308 HydrophobicContact CE1-CZ2 4.47Å; F35-W308 HydrophobicContact CG-CH2 4.41Å; Q38-W308 HydrophobicContact CG-CD2 4.28Å; Q38-W308 HydrophobicContact CG-CG 4.1Å; I39-W308 HydrophobicContact CD1-CE3 4.21Å; I39-W308 HydrophobicContact CG1-CB 4Å; I39-W308 HydrophobicContact CG1-CD2 4.27Å; I39-W308 HydrophobicContact CG1-CE3 3.77Å; I39-W308 HydrophobicContact CG1-CG 4.4Å; W308-Y311 WeakPolarHBondContact CA-O 3.27Å; W308-Y311 PolarHBondContact N-O 2.84Å; W308-I312 HydrophobicContact CE3-CD1 3.91Å; W308-I312 HydrophobicContact CH2-CG2 4.34Å; W308-I312 HydrophobicContact CZ3-CD1 3.74Å; W308-I312 HydrophobicContact CZ3-CG2 4.17Å; W308-P313 HydrophobicContact CD2-CG 3.99Å; W308-P313 HydrophobicContact CG-CG 4.37Å; W308-P313 HydrophobicContact CH2-CG 4.37Å; W308-P313 HydrophobicContact CZ2-CG 3.57Å; W308-P313 VanDerWaalsContact NE1-CG 3.35Å; W308-L324 HydrophobicContact CH2-CD2 3.59Å; W308-L324 HydrophobicContact CZ3-CD2 4.34Å; W308-F327 HydrophobicContact CZ3-CE1 4.41Å
309V98.9Very high98.8Very high1 Ų132.3 Ų32.31%0.00617%0.172CC..THydrogen-bonded Turntrans-81.5-53.1169.6-176.60000109.9L43 Y46 K306 P307 R341L43-V309 HydrophobicContact CD2-CG1 4.21Å; L43-V309 HydrophobicContact CD2-CG2 4.32Å; Y46-V309 HydrophobicContact CD1-CG1 3.7Å; Y46-V309 HydrophobicContact CD2-CG1 4.08Å; Y46-V309 HydrophobicContact CD2-CG2 4.24Å; Y46-V309 HydrophobicContact CE1-CG1 3.87Å; Y46-V309 HydrophobicContact CE2-CG1 4.25Å; Y46-V309 HydrophobicContact CG-CG1 3.81Å; Y46-V309 HydrophobicContact CG-CG2 4.03Å; K306-V309 HydrophobicContact CB-CB 3.99Å; K306-V309 HydrophobicContact CB-CG2 3.85Å; K306-V309 PolarHBondContact O-N 3Å; P307-V309 PolarHBondContact O-N 2.85Å; V309-R341 WeakPolarHBondContact O-CB 3.4Å; V309-R341 PolarHBondContact O-NE 3.21Å
310H98.9Very high98.8Very high4 Ų433.4 Ų33.42%0.01918%0.178CC..THydrogen-bonded Turntrans-110.6-24-171.3-55.3102.4000114.1Y46 F284 L305 K306 F345Y46-H310 AromaticContact CE2-CE1 3.53Å; Y46-H310 AromaticContact CZ-CE1 3.56Å; Y46-H310 AromaticContact CZ-NE2 3.65Å; Y46-H310 PolarHBondContact OH-CE1 3.39Å; Y46-H310 PolarHBondContact OH-NE2 2.94Å; F284-H310 WeakPolarHBondContact CE1-O 3.4Å; L305-H310 HydrophobicContact CD2-CB 4.05Å; K306-H310 PolarHBondContact N-ND1 2.75Å; K306-H310 PolarHBondContact O-N 3.01Å; K306-H310 PolarHBondContact O-ND1 3.18Å; H310-F345 AromaticContact NE2-CD2 3.77Å; H310-F345 AromaticContact NE2-CG 3.94Å
311Y98.9Very high98.8Very high25 Ų2533.7 Ų33.710%0.09818%0.18CC..BIsolated β-bridgetrans-154.1167.9-177.961.6-97.3000111.7F280 F284 V290 H292 L305 P307 W308 P313F280-Y311 HydrophobicContact CZ-CD1 4.1Å; F280-Y311 HydrophobicContact CZ-CE1 4.17Å; F284-Y311 HydrophobicContact CE1-CD1 4.49Å; F284-Y311 HydrophobicContact CZ-CD1 4.16Å; V290-Y311 WeakPolarHBondContact O-CB 3.25Å; H292-Y311 HydrophobicContact CB-CD2 3.56Å; H292-Y311 HydrophobicContact CB-CE2 3.71Å; H292-Y311 HydrophobicContact CB-CG 4.21Å; L305-Y311 HydrophobicContact CB-CD1 4.31Å; L305-Y311 HydrophobicContact CB-CE1 3.86Å; L305-Y311 WeakPolarHBondContact O-CE1 3.38Å; L305-Y311 PolarHBondContact O-OH 3.06Å; P307-Y311 HydrophobicContact CB-CE2 3.92Å; W308-Y311 WeakPolarHBondContact CA-O 3.27Å; W308-Y311 PolarHBondContact N-O 2.84Å; Y311-P313 HydrophobicContact CE2-CB 4.2Å; Y311-P313 WeakPolarHBondContact O-CD 3.41Å
312I98.9Very high98.8Very high0 Ų038.1 Ų38.10%020%0.201CC..EExtended strand (participates in β ladder)trans-89116.1171.8-56.9-60.1000109.6L289 V290 F291 H292 W308 L324 V328 I338L289-I312 HydrophobicContact CD1-CD1 4.48Å; L289-I312 HydrophobicContact CD1-CG1 3.99Å; L289-I312 HydrophobicContact CD2-CD1 4.22Å; L289-I312 HydrophobicContact CD2-CG1 3.72Å; L289-I312 HydrophobicContact CG-CG1 3.93Å; V290-I312 PolarHBondContact O-N 2.82Å; F291-I312 WeakPolarHBondContact CA-O 3.36Å; F291-I312 HydrophobicContact CD1-CB 4.02Å; F291-I312 HydrophobicContact CD1-CG2 3.87Å; F291-I312 HydrophobicContact CD2-CB 4.31Å; F291-I312 HydrophobicContact CD2-CG1 4.41Å; F291-I312 HydrophobicContact CE1-CB 4.04Å; F291-I312 HydrophobicContact CE1-CG1 4.34Å; F291-I312 HydrophobicContact CE1-CG2 3.69Å; F291-I312 HydrophobicContact CE2-CB 4.3Å; F291-I312 HydrophobicContact CE2-CG1 4.02Å; F291-I312 HydrophobicContact CG-CB 4.15Å; F291-I312 HydrophobicContact CZ-CB 4.17Å; F291-I312 HydrophobicContact CZ-CG1 3.98Å; F291-I312 HydrophobicContact CZ-CG2 4.17Å; H292-I312 PolarHBondContact N-O 3.3Å; W308-I312 HydrophobicContact CE3-CD1 3.91Å; W308-I312 HydrophobicContact CH2-CG2 4.34Å; W308-I312 HydrophobicContact CZ3-CD1 3.74Å; W308-I312 HydrophobicContact CZ3-CG2 4.17Å; I312-L324 HydrophobicContact CG2-CB 4.31Å; I312-L324 HydrophobicContact CG2-CD1 3.94Å; I312-L324 HydrophobicContact CG2-CD2 4.02Å; I312-L324 HydrophobicContact CG2-CG 4.33Å; I312-V328 HydrophobicContact CD1-CG1 4.07Å; I312-V328 HydrophobicContact CG1-CG1 4.11Å; I312-I338 HydrophobicContact CD1-CD1 3.79Å
313P98.9Very high98.8Very high32 Ų3242.2 Ų42.221%0.20822%0.22CC..EExtended strand (participates in β ladder)trans-73.9133.1172.732.2-35.6000110.2P307 W308 Y311 L324P307-P313 HydrophobicContact CB-CB 3.92Å; P307-P313 HydrophobicContact CB-CG 3.76Å; W308-P313 HydrophobicContact CD2-CG 3.99Å; W308-P313 HydrophobicContact CG-CG 4.37Å; W308-P313 HydrophobicContact CH2-CG 4.37Å; W308-P313 HydrophobicContact CZ2-CG 3.57Å; W308-P313 VanDerWaalsContact NE1-CG 3.35Å; Y311-P313 HydrophobicContact CE2-CB 4.2Å; Y311-P313 WeakPolarHBondContact O-CD 3.41Å; P313-L324 WeakPolarHBondContact O-CD1 3.4Å
314V98.9Very high98.8Very high6 Ų640.1 Ų40.14%0.03621%0.207CC..EExtended strand (participates in β ladder)trans-116.9135.9176.6-174.40000108.1F269 F291 H292 V293 G294 L318 V321 L324F269-V314 HydrophobicContact CE1-CG2 4.31Å; F291-V314 HydrophobicContact CB-CG2 4Å; F291-V314 HydrophobicContact CD1-CG2 3.65Å; F291-V314 HydrophobicContact CG-CG2 4.3Å; H292-V314 PolarHBondContact O-N 2.65Å; V293-V314 WeakPolarHBondContact CA-O 3.32Å; V293-V314 HydrophobicContact CB-CB 4.4Å; V293-V314 HydrophobicContact CG2-CB 3.73Å; V293-V314 HydrophobicContact CG2-CG1 3.94Å; V293-V314 HydrophobicContact CG2-CG2 4.25Å; G294-V314 PolarHBondContact N-O 3.44Å; V314-L318 HydrophobicContact CG1-CD1 4.31Å; V314-L318 HydrophobicContact CG1-CG 4.17Å; V314-V321 HydrophobicContact CG1-CB 4.19Å; V314-V321 HydrophobicContact CG1-CG2 4.3Å; V314-L324 HydrophobicContact CB-CD1 4.35Å; V314-L324 HydrophobicContact CG1-CD1 4.4Å; V314-L324 HydrophobicContact CG2-CD1 3.92Å
315K98.8Very high98.8Very high123 Ų12338.2 Ų38.254%0.53520%0.197SC..  trans-58.1145.5175.9-71.4178.5174-175.30110.2D317 L318 S319 N320K315-D317 WeakPolarHBondContact CB-OD1 3.47Å; K315-D317 PolarHBondContact O-N 2.93Å; K315-D317 VanDerWaalsContact O-N 3.12Å; K315-L318 PolarHBondContact O-N 3.37Å; K315-S319 VanDerWaalsContact CD-OG 3.27Å; K315-S319 WeakPolarHBondContact CD-OG 3.21Å; K315-N320 HydrophobicContact CD-CB 4.4Å; K315-N320 PolarHBondContact N-OD1 2.87Å
316T98.5Very high98.7Very high50 Ų5042.5 Ų42.531%0.30722%0.217SC..THydrogen-bonded Turntrans-53.1-35.3-178.4-50.20000113E217 L318E217-T316 HydrophobicContact CG-CG2 4.17Å; T316-L318 VanDerWaalsContact C-N 3.34Å
317D98.4Very high98.7Very high100 Ų10038.9 Ų38.954%0.53520%0.202SC..THydrogen-bonded Turntrans-84.7-1.3179.771-8.4000114.7K315 S319K315-D317 WeakPolarHBondContact CB-OD1 3.47Å; K315-D317 PolarHBondContact O-N 2.93Å; K315-D317 VanDerWaalsContact O-N 3.12Å; D317-S319 VanDerWaalsContact CG-OG 3.3Å; D317-S319 PolarHBondContact O-N 2.97Å; D317-S319 WeakPolarHBondContact OD1-CB 3.43Å; D317-S319 PolarHBondContact OD1-N 2.91Å; D317-S319 PolarHBondContact OD1-OG 3.36Å; D317-S319 WeakPolarHBondContact OD2-CB 3.42Å; D317-S319 PolarHBondContact OD2-OG 3.12Å
318L98.6Very high98.7Very high9 Ų936.5 Ų36.55%0.04719%0.186CC..  trans61.713.3-174.9-89.665.8000115.3P220 L221 F271 V293 V314 K315 T316 N320 V321P220-L318 HydrophobicContact CB-CB 4.04Å; P220-L318 HydrophobicContact CB-CD2 4.04Å; L221-L318 HydrophobicContact CB-CD2 3.57Å; L221-L318 HydrophobicContact CD1-CD2 4.01Å; L221-L318 HydrophobicContact CG-CD2 4.36Å; F271-L318 HydrophobicContact CE1-CD1 3.7Å; F271-L318 HydrophobicContact CE1-CD2 4.22Å; F271-L318 HydrophobicContact CZ-CD1 4.24Å; F271-L318 HydrophobicContact CZ-CD2 4.05Å; V293-L318 HydrophobicContact CB-CD1 4.25Å; V293-L318 HydrophobicContact CG1-CD1 3.39Å; V293-L318 HydrophobicContact CG2-CD1 3.81Å; V314-L318 HydrophobicContact CG1-CD1 4.31Å; V314-L318 HydrophobicContact CG1-CG 4.17Å; K315-L318 PolarHBondContact O-N 3.37Å; T316-L318 VanDerWaalsContact C-N 3.34Å; L318-N320 PolarHBondContact O-N 3.02Å; L318-N320 VanDerWaalsContact O-N 3.08Å; L318-V321 HydrophobicContact CB-CB 4.27Å; L318-V321 HydrophobicContact CB-CG1 4.17Å; L318-V321 HydrophobicContact CG-CB 4.25Å; L318-V321 HydrophobicContact CG-CG1 4.45Å; L318-V321 WeakPolarHBondContact O-CB 3.39Å; L318-V321 WeakPolarHBondContact O-CG1 3.3Å; L318-V321 PolarHBondContact O-N 3.3Å
319S98.6Very high98.7Very high75 Ų7539.2 Ų39.252%0.52420%0.199SC..THydrogen-bonded Turntrans-56.5-31.2-175.453.40000113.9K315 D317K315-S319 VanDerWaalsContact CD-OG 3.27Å; K315-S319 WeakPolarHBondContact CD-OG 3.21Å; D317-S319 VanDerWaalsContact CG-OG 3.3Å; D317-S319 PolarHBondContact O-N 2.97Å; D317-S319 WeakPolarHBondContact OD1-CB 3.43Å; D317-S319 PolarHBondContact OD1-N 2.91Å; D317-S319 PolarHBondContact OD1-OG 3.36Å; D317-S319 WeakPolarHBondContact OD2-CB 3.42Å; D317-S319 PolarHBondContact OD2-OG 3.12Å
320N98.3Very high98.7Very high24 Ų2442 Ų4213%0.12822%0.222CC..THydrogen-bonded Turntrans-98.63179.767.3-18.2000114.7K315 L318 Q322 E323 L324K315-N320 HydrophobicContact CD-CB 4.4Å; K315-N320 PolarHBondContact N-OD1 2.87Å; L318-N320 PolarHBondContact O-N 3.02Å; L318-N320 VanDerWaalsContact O-N 3.08Å; N320-Q322 PolarHBondContact O-N 3.23Å; N320-E323 PolarHBondContact O-N 3.43Å; N320-L324 WeakPolarHBondContact O-CG 3.44Å; N320-L324 PolarHBondContact O-N 3.03Å
321V98.7Very high98.7Very high7 Ų743.7 Ų43.74%0.04223%0.231CC..Hα-helixtrans-62.2-39-168.673.30000113.9L221 L224 F269 V314 L318 L324 L325L221-V321 HydrophobicContact CD1-CG2 4.46Å; L224-V321 HydrophobicContact CD2-CG1 3.67Å; F269-V321 HydrophobicContact CE1-CG2 3.53Å; F269-V321 HydrophobicContact CZ-CG2 3.48Å; F269-V321 VanDerWaalsContact CZ-CG2 3.48Å; V314-V321 HydrophobicContact CG1-CB 4.19Å; V314-V321 HydrophobicContact CG1-CG2 4.3Å; L318-V321 HydrophobicContact CB-CB 4.27Å; L318-V321 HydrophobicContact CB-CG1 4.17Å; L318-V321 HydrophobicContact CG-CB 4.25Å; L318-V321 HydrophobicContact CG-CG1 4.45Å; L318-V321 WeakPolarHBondContact O-CB 3.39Å; L318-V321 WeakPolarHBondContact O-CG1 3.3Å; L318-V321 PolarHBondContact O-N 3.3Å; V321-L324 PolarHBondContact O-N 3.34Å; V321-L325 HydrophobicContact CG2-CD1 4.31Å; V321-L325 WeakPolarHBondContact O-CB 3.46Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 2.65Å
322Q98.7Very high98.7Very high93 Ų9344.5 Ų44.544%0.43524%0.237SC..Hα-helixtrans-70.2-37.8-179.2-68.8-174.765.300111.6L224 L231 N320 L325 Q326L224-Q322 HydrophobicContact CD1-CG 4.11Å; L224-Q322 HydrophobicContact CD2-CG 3.94Å; L231-Q322 HydrophobicContact CD2-CG 4.13Å; N320-Q322 PolarHBondContact O-N 3.23Å; Q322-L325 PolarHBondContact O-N 2.87Å; Q322-Q326 WeakPolarHBondContact O-CG 3.29Å; Q322-Q326 PolarHBondContact O-N 3.42Å
323E98.6Very high98.6Very high97 Ų9750.1 Ų50.145%0.45327%0.267SS..Hα-helixtrans-65-45.5175.9-174.7-177.9-151.400110.6W32 F35 N320 L325 Q326 F327W32-E323 HydrophobicContact CZ3-CG 4.11Å; F35-E323 HydrophobicContact CE2-CG 3.86Å; F35-E323 HydrophobicContact CZ-CG 4.09Å; N320-E323 PolarHBondContact O-N 3.43Å; E323-L325 VanDerWaalsContact C-N 3.35Å; E323-L325 PolarHBondContact O-N 2.99Å; E323-Q326 WeakPolarHBondContact O-CB 3.28Å; E323-Q326 PolarHBondContact O-N 3.42Å; E323-Q326 VanDerWaalsContact O-N 3.16Å; E323-F327 WeakPolarHBondContact O-CB 3.4Å; E323-F327 PolarHBondContact O-N 2.87Å
324L98.9Very high98.6Very high0 Ų050.2 Ų50.20%027%0.267CS..Hα-helixtrans-60.6-42.1175.8-66.9173000112.3F35 F291 W308 I312 P313 V314 N320 V321 Q326 F327 V328F35-L324 HydrophobicContact CD1-CD2 4.16Å; F35-L324 HydrophobicContact CE1-CD2 3.6Å; F35-L324 HydrophobicContact CE2-CD2 4.5Å; F35-L324 HydrophobicContact CZ-CD2 3.8Å; F291-L324 HydrophobicContact CE1-CB 3.9Å; W308-L324 HydrophobicContact CH2-CD2 3.59Å; W308-L324 HydrophobicContact CZ3-CD2 4.34Å; I312-L324 HydrophobicContact CG2-CB 4.31Å; I312-L324 HydrophobicContact CG2-CD1 3.94Å; I312-L324 HydrophobicContact CG2-CD2 4.02Å; I312-L324 HydrophobicContact CG2-CG 4.33Å; P313-L324 WeakPolarHBondContact O-CD1 3.4Å; V314-L324 HydrophobicContact CB-CD1 4.35Å; V314-L324 HydrophobicContact CG1-CD1 4.4Å; V314-L324 HydrophobicContact CG2-CD1 3.92Å; N320-L324 WeakPolarHBondContact O-CG 3.44Å; N320-L324 PolarHBondContact O-N 3.03Å; V321-L324 PolarHBondContact O-N 3.34Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 3.13Å; L324-F327 WeakPolarHBondContact O-CB 2.82Å; L324-F327 PolarHBondContact O-N 2.71Å; L324-V328 PolarHBondContact O-N 3.47Å
325L98.8Very high98.6Very high0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-65.6-33.9176-75171.6000112.7A207 L231 V232 Y267 F269 F291 V321 Q322 E323 K329A207-L325 HydrophobicContact CB-CD1 4.36Å; A207-L325 HydrophobicContact CB-CD2 3.9Å; L231-L325 HydrophobicContact CD1-CB 4.13Å; L231-L325 HydrophobicContact CD1-CD1 3.97Å; L231-L325 HydrophobicContact CD2-CD1 4.38Å; L231-L325 HydrophobicContact CG-CD1 4Å; V232-L325 HydrophobicContact CG2-CD1 3.95Å; Y267-L325 HydrophobicContact CD2-CD2 4.16Å; Y267-L325 HydrophobicContact CG-CD2 4.31Å; F269-L325 HydrophobicContact CE2-CD2 4.29Å; F269-L325 HydrophobicContact CZ-CD1 4.45Å; F269-L325 HydrophobicContact CZ-CD2 4.43Å; F291-L325 HydrophobicContact CE1-CD2 4.05Å; F291-L325 HydrophobicContact CE1-CG 4.34Å; F291-L325 HydrophobicContact CE2-CD2 4.45Å; F291-L325 HydrophobicContact CZ-CD2 3.91Å; V321-L325 HydrophobicContact CG2-CD1 4.31Å; V321-L325 WeakPolarHBondContact O-CB 3.46Å; V321-L325 WeakPolarHBondContact O-CG 3.4Å; V321-L325 PolarHBondContact O-N 2.65Å; Q322-L325 PolarHBondContact O-N 2.87Å; E323-L325 VanDerWaalsContact C-N 3.35Å; E323-L325 PolarHBondContact O-N 2.99Å; L325-K329 WeakPolarHBondContact O-CD 3.36Å; L325-K329 VanDerWaalsContact O-CG 3.23Å; L325-K329 WeakPolarHBondContact O-CG 3.07Å; L325-K329 PolarHBondContact O-N 3.25Å
326Q98.5Very high98.6Very high94 Ų9447.6 Ų47.644%0.43926%0.257SS..Hα-helixtrans-70.3-41.3172.4-71.4174.825.600111.5W32 Q322 E323 L324 K329 A330W32-Q326 HydrophobicContact CH2-CB 3.63Å; W32-Q326 HydrophobicContact CZ2-CB 4.12Å; Q322-Q326 WeakPolarHBondContact O-CG 3.29Å; Q322-Q326 PolarHBondContact O-N 3.42Å; E323-Q326 WeakPolarHBondContact O-CB 3.28Å; E323-Q326 PolarHBondContact O-N 3.42Å; E323-Q326 VanDerWaalsContact O-N 3.16Å; L324-Q326 VanDerWaalsContact C-N 3.32Å; L324-Q326 PolarHBondContact O-N 3.13Å; Q326-K329 PolarHBondContact O-N 3.47Å; Q326-A330 WeakPolarHBondContact O-CB 3.21Å; Q326-A330 PolarHBondContact O-N 3.48Å
327F98.8Very high98.7Very high2 Ų250 Ų501%0.00926%0.264CS..Hα-helixtrans-56.8-53.9177.6164.3-108.6000111.4W32 F35 I36 I39 W308 E323 L324 K329 A330 N331W32-F327 HydrophobicContact CB-CD2 3.84Å; W32-F327 HydrophobicContact CB-CE2 4.06Å; W32-F327 HydrophobicContact CD2-CB 4.28Å; W32-F327 AromaticContact CD2-CD2 3.92Å; W32-F327 HydrophobicContact CD2-CD2 3.92Å; W32-F327 HydrophobicContact CE3-CB 3.79Å; W32-F327 AromaticContact CE3-CD2 3.94Å; W32-F327 HydrophobicContact CE3-CD2 3.94Å; W32-F327 HydrophobicContact CE3-CG 4.34Å; W32-F327 AromaticContact CG-CD2 3.9Å; W32-F327 HydrophobicContact CG-CD2 3.9Å; W32-F327 HydrophobicContact CH2-CB 4.29Å; W32-F327 HydrophobicContact CZ3-CB 3.8Å; F35-F327 HydrophobicContact CB-CD1 4.21Å; F35-F327 HydrophobicContact CB-CD2 3.86Å; F35-F327 HydrophobicContact CB-CE1 4.01Å; F35-F327 HydrophobicContact CB-CE2 3.64Å; F35-F327 HydrophobicContact CB-CG 4.15Å; F35-F327 HydrophobicContact CB-CZ 3.73Å; F35-F327 HydrophobicContact CD2-CB 3.93Å; F35-F327 HydrophobicContact CD2-CD1 4.3Å; F35-F327 AromaticContact CD2-CD2 3.8Å; F35-F327 HydrophobicContact CD2-CD2 3.8Å; F35-F327 HydrophobicContact CD2-CE2 4.45Å; F35-F327 AromaticContact CD2-CG 3.72Å; F35-F327 HydrophobicContact CD2-CG 3.72Å; F35-F327 HydrophobicContact CE2-CB 4.24Å; F35-F327 HydrophobicContact CE2-CG 4.48Å; F35-F327 HydrophobicContact CG-CD1 4.32Å; F35-F327 HydrophobicContact CG-CD2 4.21Å; F35-F327 HydrophobicContact CG-CE2 4.47Å; F35-F327 HydrophobicContact CG-CG 4.15Å; I36-F327 HydrophobicContact CD1-CE2 3.78Å; I36-F327 HydrophobicContact CD1-CZ 3.97Å; I36-F327 HydrophobicContact CG1-CE2 4.13Å; I39-F327 HydrophobicContact CD1-CE1 3.93Å; I39-F327 HydrophobicContact CD1-CZ 3.58Å; W308-F327 HydrophobicContact CZ3-CE1 4.41Å; E323-F327 WeakPolarHBondContact O-CB 3.4Å; E323-F327 PolarHBondContact O-N 2.87Å; L324-F327 WeakPolarHBondContact O-CB 2.82Å; L324-F327 PolarHBondContact O-N 2.71Å; F327-K329 VanDerWaalsContact C-N 3.26Å; F327-K329 PolarHBondContact O-N 3.26Å; F327-A330 PolarHBondContact O-N 2.94Å; F327-A330 VanDerWaalsContact O-N 3.12Å; F327-N331 WeakPolarHBondContact CD2-ND2 3.41Å; F327-N331 HydrophobicContact CE2-CB 4.1Å; F327-N331 WeakPolarHBondContact CE2-ND2 3.45Å; F327-N331 HydrophobicContact CZ-CB 4.42Å; F327-N331 PolarHBondContact O-N 2.72Å; F327-N331 PolarHBondContact O-ND2 2.82Å
328V98.8Very high98.7Very high0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-68.1-25.8-177.5-59.60000113.1Y267 L289 F291 I312 L324 N331 D332 A335Y267-V328 HydrophobicContact CD1-CG2 3.99Å; Y267-V328 HydrophobicContact CE1-CB 4.21Å; Y267-V328 HydrophobicContact CE1-CG2 3.56Å; Y267-V328 HydrophobicContact CE2-CG2 4.44Å; L289-V328 HydrophobicContact CD2-CB 4.18Å; L289-V328 HydrophobicContact CD2-CG1 3.75Å; F291-V328 HydrophobicContact CE2-CG2 4.36Å; F291-V328 HydrophobicContact CZ-CB 4.48Å; F291-V328 HydrophobicContact CZ-CG1 3.89Å; F291-V328 HydrophobicContact CZ-CG2 3.8Å; I312-V328 HydrophobicContact CD1-CG1 4.07Å; I312-V328 HydrophobicContact CG1-CG1 4.11Å; L324-V328 PolarHBondContact O-N 3.47Å; V328-N331 CarbonylContact O-C 3.49Å; V328-D332 WeakPolarHBondContact O-CA 3.45Å; V328-D332 PolarHBondContact O-N 3.48Å; V328-A335 HydrophobicContact CB-CB 3.89Å; V328-A335 HydrophobicContact CG1-CB 4.33Å
329K98.4Very high98.7Very high82 Ų8244.8 Ų44.836%0.35724%0.237SC..Hα-helixtrans-72.7-35.7173.1-76.1175.1-177.3-176.10112.1S205 Y267 L325 Q326 F327S205-K329 VanDerWaalsContact O-CE 3.24Å; S205-K329 WeakPolarHBondContact O-CE 3.28Å; S205-K329 PolarHBondContact O-NZ 2.61Å; Y267-K329 HydrophobicContact CE2-CG 4.19Å; L325-K329 WeakPolarHBondContact O-CD 3.36Å; L325-K329 VanDerWaalsContact O-CG 3.23Å; L325-K329 WeakPolarHBondContact O-CG 3.07Å; L325-K329 PolarHBondContact O-N 3.25Å; Q326-K329 PolarHBondContact O-N 3.47Å; F327-K329 VanDerWaalsContact C-N 3.26Å; F327-K329 PolarHBondContact O-N 3.26Å
330A98.4Very high98.7Very high60 Ų6045.6 Ų45.650%0.49623%0.232SC..Hα-helixtrans-81.2-17.1178.600000113.2W32 Q326 F327W32-A330 HydrophobicContact CZ2-CB 4.16Å; W32-A330 VanDerWaalsContact NE1-CB 3.3Å; Q326-A330 WeakPolarHBondContact O-CB 3.21Å; Q326-A330 PolarHBondContact O-N 3.48Å; F327-A330 PolarHBondContact O-N 2.94Å; F327-A330 VanDerWaalsContact O-N 3.12Å
331N98.6Very high98.8Very high38 Ų3847.3 Ų47.320%0.20324%0.237CC..SBendtrans-129.657-177.9-55.7-90.7000109.5W32 F327 V328 D333 V334 A335W32-N331 VanDerWaalsContact CD1-ND2 3.3Å; F327-N331 WeakPolarHBondContact CD2-ND2 3.41Å; F327-N331 HydrophobicContact CE2-CB 4.1Å; F327-N331 WeakPolarHBondContact CE2-ND2 3.45Å; F327-N331 HydrophobicContact CZ-CB 4.42Å; F327-N331 PolarHBondContact O-N 2.72Å; F327-N331 PolarHBondContact O-ND2 2.82Å; V328-N331 CarbonylContact O-C 3.49Å; N331-D333 VanDerWaalsContact C-N 3.32Å; N331-D333 PolarHBondContact O-N 3.11Å; N331-V334 HydrophobicContact CB-CB 4.26Å; N331-V334 HydrophobicContact CB-CG2 4.4Å; N331-V334 PolarHBondContact O-N 2.98Å; N331-A335 PolarHBondContact O-N 2.86Å
332D98.8Very high98.8Very high43 Ų4347 Ų4723%0.2324%0.235CC..Hα-helixtrans-63.6-33.7-169.7-163.466.9000113.2W200 K266 V328 A335 Q336W200-D332 PolarHBondContact NE1-OD1 3.49Å; W200-D332 PolarHBondContact NE1-OD2 2.77Å; K266-D332 IonicContact NZ-OD1 3.64Å; K266-D332 PolarHBondContact NZ-OD1 3.05Å; K266-D332 IonicContact NZ-OD2 2.72Å; K266-D332 PolarHBondContact NZ-OD2 3.27Å; V328-D332 WeakPolarHBondContact O-CA 3.45Å; V328-D332 PolarHBondContact O-N 3.48Å; D332-A335 WeakPolarHBondContact O-CB 3.48Å; D332-A335 PolarHBondContact O-N 3.42Å; D332-Q336 PolarHBondContact O-N 3.34Å
333D98.8Very high98.8Very high117 Ų11742.8 Ų42.863%0.62622%0.216SC*.Hα-helixtrans-65.7-46.8176.9-62.6-33.1000111N331 A335 Q336 E337N331-D333 VanDerWaalsContact C-N 3.32Å; N331-D333 PolarHBondContact O-N 3.11Å; D333-A335 VanDerWaalsContact C-N 3.28Å; D333-A335 PolarHBondContact O-N 3.14Å; D333-Q336 WeakPolarHBondContact O-CB 3.37Å; D333-Q336 PolarHBondContact O-N 3.02Å; D333-Q336 VanDerWaalsContact O-N 3.11Å; D333-E337 WeakPolarHBondContact O-CG 3.49Å; D333-E337 PolarHBondContact O-N 3.39Å
334V98.8Very high98.8Very high34 Ų3441.6 Ų41.621%0.20621%0.21CC..Hα-helixtrans-60.6-40.3174.7178.40000110.8I36 I39 N331 Q336 E337 I338I36-V334 HydrophobicContact CD1-CG2 4.28Å; I39-V334 HydrophobicContact CD1-CG1 3.71Å; N331-V334 HydrophobicContact CB-CB 4.26Å; N331-V334 HydrophobicContact CB-CG2 4.4Å; N331-V334 PolarHBondContact O-N 2.98Å; V334-Q336 VanDerWaalsContact C-N 3.34Å; V334-Q336 PolarHBondContact O-N 2.9Å; V334-E337 PolarHBondContact O-N 2.82Å; V334-I338 HydrophobicContact CG1-CD1 4.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.44Å; V334-I338 PolarHBondContact O-N 3.03Å; V334-I338 VanDerWaalsContact O-N 3.14Å
335A98.9Very high98.8Very high2 Ų241.9 Ų41.92%0.01721%0.212CC..Hα-helixtrans-62.4-40.7175.700000112.1W200 L289 V328 N331 D332 D333 A339W200-A335 HydrophobicContact CH2-CB 4.07Å; W200-A335 HydrophobicContact CZ2-CB 3.88Å; L289-A335 HydrophobicContact CD2-CB 3.74Å; V328-A335 HydrophobicContact CB-CB 3.89Å; V328-A335 HydrophobicContact CG1-CB 4.33Å; N331-A335 PolarHBondContact O-N 2.86Å; D332-A335 WeakPolarHBondContact O-CB 3.48Å; D332-A335 PolarHBondContact O-N 3.42Å; D333-A335 VanDerWaalsContact C-N 3.28Å; D333-A335 PolarHBondContact O-N 3.14Å; A335-A339 WeakPolarHBondContact O-CB 3.24Å; A335-A339 PolarHBondContact O-N 3.4Å; A335-A339 VanDerWaalsContact O-N 3.11Å
336Q98.9Very high98.8Very high72 Ų7241.9 Ų41.934%0.33621%0.212SC..Hα-helixtrans-64.7-42.6175.9-172.1176.8-9.400111.6W200 D332 D333 V334 I338 A339 E340W200-Q336 HydrophobicContact CB-CG 4.06Å; W200-Q336 HydrophobicContact CD2-CB 3.85Å; W200-Q336 HydrophobicContact CD2-CG 3.76Å; W200-Q336 HydrophobicContact CE3-CB 4.43Å; W200-Q336 HydrophobicContact CE3-CG 4.27Å; W200-Q336 HydrophobicContact CG-CB 4.06Å; W200-Q336 HydrophobicContact CG-CG 3.62Å; W200-Q336 HydrophobicContact CZ2-CB 4.09Å; D332-Q336 PolarHBondContact O-N 3.34Å; D333-Q336 WeakPolarHBondContact O-CB 3.37Å; D333-Q336 PolarHBondContact O-N 3.02Å; D333-Q336 VanDerWaalsContact O-N 3.11Å; V334-Q336 VanDerWaalsContact C-N 3.34Å; V334-Q336 PolarHBondContact O-N 2.9Å; Q336-I338 PolarHBondContact O-N 2.81Å; Q336-A339 WeakPolarHBondContact O-CB 3.23Å; Q336-A339 PolarHBondContact O-N 3.34Å; Q336-E340 WeakPolarHBondContact O-CB 3.25Å; Q336-E340 PolarHBondContact O-N 2.95Å
337E98.9Very high98.8Very high100 Ų10041.7 Ų41.747%0.46721%0.207SC..Hα-helixtrans-61.9-42.2178.4-71175.7-168.800112.7D333 V334 E340 R341D333-E337 WeakPolarHBondContact O-CG 3.49Å; D333-E337 PolarHBondContact O-N 3.39Å; V334-E337 PolarHBondContact O-N 2.82Å; E337-E340 PolarHBondContact O-N 3.21Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 3.32Å; E337-R341 IonicContact OE2-NH1 3.67Å
338I98.9Very high98.8Very high0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-63.2-44.8175.7-62.4167.8000110.1I39 L289 I312 V334 Q336 E340 R341 G342I39-I338 HydrophobicContact CD1-CD1 4.04Å; I39-I338 HydrophobicContact CG1-CD1 4.37Å; L289-I338 HydrophobicContact CD1-CB 3.78Å; L289-I338 HydrophobicContact CD1-CG2 3.49Å; L289-I338 VanDerWaalsContact CD1-CG2 3.49Å; I312-I338 HydrophobicContact CD1-CD1 3.79Å; V334-I338 HydrophobicContact CG1-CD1 4.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.44Å; V334-I338 PolarHBondContact O-N 3.03Å; V334-I338 VanDerWaalsContact O-N 3.14Å; Q336-I338 PolarHBondContact O-N 2.81Å; I338-E340 VanDerWaalsContact C-N 3.34Å; I338-E340 PolarHBondContact O-N 3.17Å; I338-R341 VanDerWaalsContact CG1-NH2 3.26Å; I338-R341 PolarHBondContact O-N 2.8Å; I338-G342 PolarHBondContact O-N 3.02Å
339A98.9Very high98.8Very high1 Ų146.1 Ų46.11%0.00823%0.23CC..Hα-helixtrans-60.7-43.5178.200000111.9W200 L289 A335 Q336 G342 S343W200-A339 HydrophobicContact CE3-CB 4.34Å; W200-A339 HydrophobicContact CH2-CB 4.41Å; W200-A339 HydrophobicContact CZ3-CB 3.72Å; L289-A339 HydrophobicContact CB-CB 4Å; L289-A339 HydrophobicContact CD1-CB 4.28Å; A335-A339 WeakPolarHBondContact O-CB 3.24Å; A335-A339 PolarHBondContact O-N 3.4Å; A335-A339 VanDerWaalsContact O-N 3.11Å; Q336-A339 WeakPolarHBondContact O-CB 3.23Å; Q336-A339 PolarHBondContact O-N 3.34Å; A339-G342 PolarHBondContact O-N 2.83Å; A339-S343 WeakPolarHBondContact O-CB 3.23Å; A339-S343 PolarHBondContact O-N 2.88Å
340E98.9Very high98.8Very high92 Ų9242.2 Ų42.243%0.4321%0.213SC..Hα-helixtrans-63.9-48.5178.2-176.758.9-153.700111.1Q336 E337 I338 G342 S343 Q344Q336-E340 WeakPolarHBondContact O-CB 3.25Å; Q336-E340 PolarHBondContact O-N 2.95Å; E337-E340 PolarHBondContact O-N 3.21Å; I338-E340 VanDerWaalsContact C-N 3.34Å; I338-E340 PolarHBondContact O-N 3.17Å; E340-G342 VanDerWaalsContact C-N 3.34Å; E340-G342 PolarHBondContact O-N 3.02Å; E340-S343 WeakPolarHBondContact O-CB 3.48Å; E340-S343 PolarHBondContact O-N 3.34Å; E340-S343 VanDerWaalsContact O-N 3.15Å; E340-Q344 HydrophobicContact CG-CG 4.36Å; E340-Q344 WeakPolarHBondContact O-CB 3.43Å; E340-Q344 VanDerWaalsContact O-CG 3.32Å; E340-Q344 WeakPolarHBondContact O-CG 3.36Å; E340-Q344 PolarHBondContact O-N 3.04Å; E340-Q344 WeakPolarHBondContact OE1-CG 3.22Å; E340-Q344 PolarHBondContact OE1-NE2 3.36Å
341R98.9Very high98.8Very high59 Ų5942.7 Ų42.722%0.22321%0.205CC..Hα-helixtrans-57.9-45.2176.4-74.7-173.2-64.1-96.23.4112V309 E337 I338 S343 Q344 F345V309-R341 WeakPolarHBondContact O-CB 3.4Å; V309-R341 PolarHBondContact O-NE 3.21Å; E337-R341 WeakPolarHBondContact O-CG 3.5Å; E337-R341 PolarHBondContact O-N 3.32Å; E337-R341 IonicContact OE2-NH1 3.67Å; I338-R341 VanDerWaalsContact CG1-NH2 3.26Å; I338-R341 PolarHBondContact O-N 2.8Å; R341-S343 PolarHBondContact O-N 3.34Å; R341-Q344 PolarHBondContact O-N 3.12Å; R341-F345 WeakPolarHBondContact O-CB 3.47Å; R341-F345 PolarHBondContact O-N 2.96Å
342G98.9Very high98.9Very high0 Ų042.1 Ų42.10%020%0.202CC..Hα-helixtrans-61.5-41.9175.900000112.9I338 A339 E340 I346I338-G342 PolarHBondContact O-N 3.02Å; A339-G342 PolarHBondContact O-N 2.83Å; E340-G342 VanDerWaalsContact C-N 3.34Å; E340-G342 PolarHBondContact O-N 3.02Å; G342-I346 PolarHBondContact O-N 3.35Å
343S98.9Very high98.9Very high6 Ų645.8 Ų45.84%0.04222%0.221CC..Hα-helixtrans-62.3-49.8175.1-158.30000111.6F284 A339 E340 R341 F345 I346 R347F284-S343 WeakPolarHBondContact O-CA 3.43Å; F284-S343 VanDerWaalsContact O-CB 3.25Å; F284-S343 WeakPolarHBondContact O-CB 3.43Å; F284-S343 PolarHBondContact O-OG 3.2Å; A339-S343 WeakPolarHBondContact O-CB 3.23Å; A339-S343 PolarHBondContact O-N 2.88Å; E340-S343 WeakPolarHBondContact O-CB 3.48Å; E340-S343 PolarHBondContact O-N 3.34Å; E340-S343 VanDerWaalsContact O-N 3.15Å; R341-S343 PolarHBondContact O-N 3.34Å; S343-F345 VanDerWaalsContact C-N 3.34Å; S343-F345 PolarHBondContact O-N 3.22Å; S343-I346 PolarHBondContact O-N 2.89Å; S343-R347 VanDerWaalsContact O-CG 3.24Å; S343-R347 WeakPolarHBondContact O-CG 3.28Å; S343-R347 PolarHBondContact O-N 2.89Å
344Q98.9Very high98.9Very high71 Ų7140.5 Ų40.533%0.33219%0.193SC..Hα-helixtrans-59.6-42.9179.6-71.1-63.5-16.600112.1E340 R341 I346 R347 N348E340-Q344 HydrophobicContact CG-CG 4.36Å; E340-Q344 WeakPolarHBondContact O-CB 3.43Å; E340-Q344 VanDerWaalsContact O-CG 3.32Å; E340-Q344 WeakPolarHBondContact O-CG 3.36Å; E340-Q344 PolarHBondContact O-N 3.04Å; E340-Q344 WeakPolarHBondContact OE1-CG 3.22Å; E340-Q344 PolarHBondContact OE1-NE2 3.36Å; R341-Q344 PolarHBondContact O-N 3.12Å; Q344-I346 PolarHBondContact O-N 3.11Å; Q344-R347 PolarHBondContact O-N 3.43Å; Q344-N348 WeakPolarHBondContact O-CB 3.5Å; Q344-N348 PolarHBondContact O-N 3.49Å; Q344-N348 PolarHBondContact O-ND2 3Å; Q344-N348 PolarHBondContact OE1-ND2 3.28Å
345F98.9Very high98.9Very high6 Ų638.9 Ų38.93%0.02618%0.183CC..Hα-helixtrans-57.6-48.9177.6-176.3-86.9000111.8Y57 Q304 L305 H310 R341 S343 R347 N348 H349Y57-F345 HydrophobicContact CE1-CZ 4.21Å; Q304-F345 HydrophobicContact CB-CE1 4.19Å; Q304-F345 HydrophobicContact CB-CE2 4.03Å; Q304-F345 HydrophobicContact CB-CZ 3.4Å; Q304-F345 HydrophobicContact CG-CZ 4.38Å; L305-F345 HydrophobicContact CD2-CD1 3.45Å; L305-F345 VanDerWaalsContact CD2-CD1 3.45Å; L305-F345 HydrophobicContact CD2-CE1 3.97Å; L305-F345 HydrophobicContact CD2-CG 4.13Å; L305-F345 HydrophobicContact CG-CD1 4.13Å; L305-F345 HydrophobicContact CG-CE1 4.14Å; H310-F345 AromaticContact NE2-CD2 3.77Å; H310-F345 AromaticContact NE2-CG 3.94Å; R341-F345 WeakPolarHBondContact O-CB 3.47Å; R341-F345 PolarHBondContact O-N 2.96Å; S343-F345 VanDerWaalsContact C-N 3.34Å; S343-F345 PolarHBondContact O-N 3.22Å; F345-R347 PolarHBondContact O-N 3.16Å; F345-N348 PolarHBondContact O-N 3.34Å; F345-H349 AromaticContact CD2-CD2 3.79Å; F345-H349 HydrophobicContact CE1-CB 4.41Å; F345-H349 HydrophobicContact CE2-CB 4.24Å; F345-H349 AromaticContact CE2-CD2 3.92Å; F345-H349 HydrophobicContact CZ-CB 4.1Å; F345-H349 WeakPolarHBondContact O-CB 3.45Å; F345-H349 PolarHBondContact O-N 2.9Å
346I98.9Very high98.9Very high0 Ų039.3 Ų39.30%019%0.185CC..Hα-helixtrans-68.7-35.5179.2-62.7-63.2000112W184 R188 F284 L285 F301 L305 G342 S343 Q344 N348 L350W184-I346 HydrophobicContact CH2-CG2 4Å; W184-I346 HydrophobicContact CZ2-CG2 3.76Å; R188-I346 PolarHBondContact NH1-O 3.04Å; F284-I346 HydrophobicContact CB-CB 4.14Å; F284-I346 HydrophobicContact CB-CG1 3.64Å; F284-I346 HydrophobicContact CD2-CD1 4.23Å; F284-I346 HydrophobicContact CD2-CG1 3.74Å; F284-I346 HydrophobicContact CG-CG1 3.76Å; L285-I346 HydrophobicContact CD1-CG2 4.21Å; L285-I346 HydrophobicContact CD2-CB 4.17Å; L285-I346 HydrophobicContact CD2-CG2 3.77Å; L285-I346 HydrophobicContact CG-CG2 3.79Å; F301-I346 HydrophobicContact CD2-CD1 4.49Å; F301-I346 HydrophobicContact CE2-CD1 4.42Å; L305-I346 HydrophobicContact CD1-CD1 4.2Å; L305-I346 HydrophobicContact CD2-CD1 4.19Å; G342-I346 PolarHBondContact O-N 3.35Å; S343-I346 PolarHBondContact O-N 2.89Å; Q344-I346 PolarHBondContact O-N 3.11Å; I346-N348 VanDerWaalsContact C-N 3.34Å; I346-L350 HydrophobicContact CD1-CB 4.25Å; I346-L350 HydrophobicContact CD1-CD2 3.85Å; I346-L350 HydrophobicContact CG2-CB 4.33Å; I346-L350 HydrophobicContact CG2-CD2 4.45Å; I346-L350 PolarHBondContact O-N 3.35Å
347R98.8Very high98.9Very high90 Ų9037.1 Ų37.134%0.3418%0.178SC..Hα-helixtrans-62-43.6175.2-72.4174.673104.410111.3R188 V192 L285 S343 Q344 F345 Q351R188-R347 PolarHBondContact NH2-O 2.9Å; V192-R347 VanDerWaalsContact CG1-NH1 3.34Å; L285-R347 HydrophobicContact CD2-CB 4.48Å; L285-R347 HydrophobicContact CD2-CG 3.46Å; L285-R347 VanDerWaalsContact CD2-CG 3.46Å; S343-R347 VanDerWaalsContact O-CG 3.24Å; S343-R347 WeakPolarHBondContact O-CG 3.28Å; S343-R347 PolarHBondContact O-N 2.89Å; Q344-R347 PolarHBondContact O-N 3.43Å; F345-R347 PolarHBondContact O-N 3.16Å; R347-Q351 WeakPolarHBondContact O-CG 3.48Å
348N98.7Very high98.9Very high73 Ų7332.4 Ų32.439%0.3916%0.156SC..Hα-helixtrans-95.7-28.3-167.2-59-20.3000113.5Q344 F345 I346 Q351Q344-N348 WeakPolarHBondContact O-CB 3.5Å; Q344-N348 PolarHBondContact O-N 3.49Å; Q344-N348 PolarHBondContact O-ND2 3Å; Q344-N348 PolarHBondContact OE1-ND2 3.28Å; F345-N348 PolarHBondContact O-N 3.34Å; I346-N348 VanDerWaalsContact C-N 3.34Å; N348-Q351 PolarHBondContact O-NE2 3.34Å
349H98.8Very high98.9Very high22 Ų2232.4 Ų32.410%0.10216%0.156CC..Hα-helixtrans-123.73.2-172.1-54.4-63.5000114.3C49 S51 Y57 F345 D354C49-H349 PolarHBondContact O-CE1 3.21Å; C49-H349 VanDerWaalsContact O-CE1 3.24Å; C49-H349 PolarHBondContact O-NE2 3.47Å; S51-H349 PolarHBondContact O-CE1 2.92Å; S51-H349 VanDerWaalsContact O-CE1 3.29Å; S51-H349 PolarHBondContact O-ND1 3.47Å; Y57-H349 WeakPolarHBondContact CE2-O 3.5Å; Y57-H349 VanDerWaalsContact CZ-O 3.23Å; Y57-H349 PolarHBondContact OH-O 3.41Å; F345-H349 AromaticContact CD2-CD2 3.79Å; F345-H349 HydrophobicContact CE1-CB 4.41Å; F345-H349 HydrophobicContact CE2-CB 4.24Å; F345-H349 AromaticContact CE2-CD2 3.92Å; F345-H349 HydrophobicContact CZ-CB 4.1Å; F345-H349 WeakPolarHBondContact O-CB 3.45Å; F345-H349 PolarHBondContact O-N 2.9Å; H349-D354 WeakPolarHBondContact CA-OD2 3.35Å
350L98.8Very high98.9Very high0 Ų034.4 Ų34.40%017%0.165CC..SBendtrans-126.946.5171.3-160.470.1000110.3F166 W184 R188 K281 F300 F301 I346 D354 I355F166-L350 HydrophobicContact CE1-CD2 4.32Å; F166-L350 HydrophobicContact CE1-CG 4.32Å; F166-L350 HydrophobicContact CZ-CD1 4.32Å; F166-L350 HydrophobicContact CZ-CD2 4.35Å; F166-L350 HydrophobicContact CZ-CG 4.47Å; W184-L350 HydrophobicContact CZ2-CD2 4.36Å; W184-L350 PolarHBondContact NE1-O 3.35Å; R188-L350 PolarHBondContact NH1-O 3.29Å; K281-L350 HydrophobicContact CB-CD2 3.87Å; K281-L350 HydrophobicContact CD-CD2 4.21Å; F300-L350 HydrophobicContact CE1-CD1 4.31Å; F300-L350 HydrophobicContact CZ-CD1 3.77Å; F301-L350 HydrophobicContact CB-CD1 3.76Å; F301-L350 HydrophobicContact CD1-CD1 4.04Å; F301-L350 HydrophobicContact CD1-CD2 4.15Å; F301-L350 HydrophobicContact CD2-CD1 4.47Å; F301-L350 HydrophobicContact CD2-CD2 3.95Å; F301-L350 HydrophobicContact CE1-CD2 4.21Å; F301-L350 HydrophobicContact CE2-CD2 4Å; F301-L350 HydrophobicContact CG-CD1 3.84Å; F301-L350 HydrophobicContact CG-CD2 4.02Å; F301-L350 HydrophobicContact CZ-CD2 4.13Å; I346-L350 HydrophobicContact CD1-CB 4.25Å; I346-L350 HydrophobicContact CD1-CD2 3.85Å; I346-L350 HydrophobicContact CG2-CB 4.33Å; I346-L350 HydrophobicContact CG2-CD2 4.45Å; I346-L350 PolarHBondContact O-N 3.35Å; L350-D354 PolarHBondContact N-OD2 3.27Å; L350-I355 HydrophobicContact CD1-CD1 3.81Å; L350-I355 HydrophobicContact CG-CD1 4.35Å
351Q98.8Very high98.9Very high70 Ų7032.6 Ų32.633%0.32716%0.158SC..SBendtrans-75.3169.1173.2-51.7-17150.300110.5R347 N348 D353 D354 I355R347-Q351 WeakPolarHBondContact O-CG 3.48Å; N348-Q351 PolarHBondContact O-NE2 3.34Å; Q351-D353 VanDerWaalsContact C-N 3.26Å; Q351-D353 PolarHBondContact O-N 3.02Å; Q351-D354 WeakPolarHBondContact CB-OD2 3.36Å; Q351-D354 WeakPolarHBondContact CG-OD2 3.43Å; Q351-D354 PolarHBondContact N-OD2 3.47Å; Q351-D354 WeakPolarHBondContact O-CB 3.48Å; Q351-D354 PolarHBondContact O-N 2.99Å; Q351-I355 WeakPolarHBondContact O-CG1 3.34Å; Q351-I355 PolarHBondContact O-N 3.29Å
352M98.8Very high98.9Very high27 Ų2729.8 Ų29.813%0.13315%0.148CC..Hα-helixtrans-62.8-37.7176.7-160.664.116600111.3F114 W167 D185 D354 I355 T356F114-M352 HydrophobicContact CE1-CE 3.44Å; F114-M352 VanDerWaalsContact CE1-CE 3.44Å; F114-M352 HydrophobicContact CE1-SD 4.02Å; F114-M352 HydrophobicContact CZ-CE 3.44Å; F114-M352 VanDerWaalsContact CZ-CE 3.44Å; F114-M352 HydrophobicContact CZ-SD 4.11Å; W167-M352 HydrophobicContact CE3-CE 3.56Å; W167-M352 HydrophobicContact CZ3-CE 4.15Å; D185-M352 HydrophobicContact CB-CB 4.38Å; D185-M352 HydrophobicContact CB-CG 4.4Å; M352-D354 VanDerWaalsContact C-N 3.29Å; M352-D354 PolarHBondContact O-N 3.45Å; M352-I355 WeakPolarHBondContact O-CA 3.43Å; M352-I355 VanDerWaalsContact O-CB 3.28Å; M352-I355 WeakPolarHBondContact O-CB 3.23Å; M352-I355 PolarHBondContact O-N 3.39Å; M352-T356 PolarHBondContact O-N 3.31Å; M352-T356 VanDerWaalsContact O-N 3.1Å
353D98.8Very high98.9Very high120 Ų12029.8 Ų29.864%0.64215%0.148SC*.Hα-helixtrans-62.3-34.5175.7-63.8-5.4000112.4Q351 I355 T356 C357Q351-D353 VanDerWaalsContact C-N 3.26Å; Q351-D353 PolarHBondContact O-N 3.02Å; D353-I355 VanDerWaalsContact C-N 3.27Å; D353-I355 PolarHBondContact O-N 3.21Å; D353-T356 PolarHBondContact O-N 3.16Å; D353-C357 WeakPolarHBondContact O-CB 3.35Å; D353-C357 PolarHBondContact O-N 3.43Å
354D98.8Very high98.8Very high5 Ų530.9 Ų30.93%0.02716%0.156CC..Hα-helixtrans-65.5-33.6174.8-63.9-58.2000111.7C54 H349 L350 Q351 M352 Y358C54-D354 HydrophobicContact CB-CB 4.45Å; H349-D354 WeakPolarHBondContact CA-OD2 3.35Å; L350-D354 PolarHBondContact N-OD2 3.27Å; Q351-D354 WeakPolarHBondContact CB-OD2 3.36Å; Q351-D354 WeakPolarHBondContact CG-OD2 3.43Å; Q351-D354 PolarHBondContact N-OD2 3.47Å; Q351-D354 WeakPolarHBondContact O-CB 3.48Å; Q351-D354 PolarHBondContact O-N 2.99Å; M352-D354 VanDerWaalsContact C-N 3.29Å; M352-D354 PolarHBondContact O-N 3.45Å; D354-Y358 VanDerWaalsContact O-CB 3.31Å; D354-Y358 WeakPolarHBondContact O-CB 3.41Å; D354-Y358 PolarHBondContact O-N 2.89Å
355I98.9Very high98.8Very high0 Ų030.2 Ų30.20%015%0.152CC..Hα-helixtrans-67.7-50.8176.5-53.9-46.5000110.2F114 P162 F166 F300 L350 Q351 M352 D353 Y358 W359F114-I355 HydrophobicContact CD1-CG2 3.91Å; F114-I355 HydrophobicContact CD2-CG2 4.45Å; F114-I355 HydrophobicContact CE1-CB 4.06Å; F114-I355 HydrophobicContact CE1-CG2 3.47Å; F114-I355 VanDerWaalsContact CE1-CG2 3.47Å; F114-I355 HydrophobicContact CE2-CG2 4.1Å; F114-I355 HydrophobicContact CG-CG2 4.37Å; F114-I355 HydrophobicContact CZ-CB 4.47Å; F114-I355 HydrophobicContact CZ-CG2 3.59Å; P162-I355 HydrophobicContact CB-CG2 3.56Å; P162-I355 HydrophobicContact CG-CG2 4.2Å; F166-I355 HydrophobicContact CB-CG1 4.41Å; F166-I355 HydrophobicContact CB-CG2 4.1Å; F166-I355 HydrophobicContact CD1-CD1 3.78Å; F166-I355 HydrophobicContact CD1-CG1 3.73Å; F166-I355 HydrophobicContact CD2-CD1 4.05Å; F166-I355 HydrophobicContact CD2-CG1 4.29Å; F166-I355 HydrophobicContact CD2-CG2 4.08Å; F166-I355 HydrophobicContact CE1-CD1 3.51Å; F166-I355 HydrophobicContact CE1-CG1 3.99Å; F166-I355 HydrophobicContact CE2-CD1 3.82Å; F166-I355 HydrophobicContact CG-CD1 4.06Å; F166-I355 HydrophobicContact CG-CG1 3.91Å; F166-I355 HydrophobicContact CG-CG2 4.07Å; F166-I355 HydrophobicContact CZ-CD1 3.54Å; F166-I355 HydrophobicContact CZ-CG1 4.4Å; F300-I355 HydrophobicContact CE1-CD1 4.09Å; F300-I355 HydrophobicContact CZ-CD1 3.79Å; L350-I355 HydrophobicContact CD1-CD1 3.81Å; L350-I355 HydrophobicContact CG-CD1 4.35Å; Q351-I355 WeakPolarHBondContact O-CG1 3.34Å; Q351-I355 PolarHBondContact O-N 3.29Å; M352-I355 WeakPolarHBondContact O-CA 3.43Å; M352-I355 VanDerWaalsContact O-CB 3.28Å; M352-I355 WeakPolarHBondContact O-CB 3.23Å; M352-I355 PolarHBondContact O-N 3.39Å; D353-I355 VanDerWaalsContact C-N 3.27Å; D353-I355 PolarHBondContact O-N 3.21Å; I355-Y358 PolarHBondContact O-N 3.01Å; I355-W359 PolarHBondContact O-N 3.23Å; I355-W359 VanDerWaalsContact O-N 3.15Å
356T98.8Very high98.9Very high11 Ų1130 Ų307%0.06715%0.151CC..Hα-helixtrans-59.5-47.6176.6-63.70000110.9E117 V118 M352 D353 Y358 W359 E360E117-T356 HydrophobicContact CG-CG2 4.07Å; E117-T356 WeakPolarHBondContact OE1-CG2 3.32Å; E117-T356 PolarHBondContact OE1-OG1 3.42Å; V118-T356 HydrophobicContact CG1-CG2 3.28Å; M352-T356 PolarHBondContact O-N 3.31Å; M352-T356 VanDerWaalsContact O-N 3.1Å; D353-T356 PolarHBondContact O-N 3.16Å; T356-Y358 PolarHBondContact O-N 3.45Å; T356-W359 PolarHBondContact O-N 2.97Å; T356-E360 PolarHBondContact O-N 2.85Å
357C98.9Very high98.9Very high27 Ų2730.8 Ų30.818%0.18216%0.157CC..Hα-helixtrans-58.8-44177.81730000112C54 D353 W359 E360 N361C54-C357 HydrophobicContact CB-CB 3.6Å; C54-C357 WeakPolarHBondContact CB-SG 3.49Å; C54-C357 PolarHBondContact N-SG 3.36Å; C54-C357 VanDerWaalsContact N-SG 3.35Å; C54-C357 WeakPolarHBondContact SG-CB 3.34Å; C54-C357 PolarHBondContact SG-O 3.18Å; C54-C357 VanDerWaalsContact SG-O 3.39Å; C54-C357 CovalentContact SG-SG 2.04Å; C54-C357 PolarHBondContact SG-SG 2.64Å; D353-C357 WeakPolarHBondContact O-CB 3.35Å; D353-C357 PolarHBondContact O-N 3.43Å; C357-W359 PolarHBondContact O-N 2.88Å; C357-E360 PolarHBondContact O-N 3.14Å; C357-N361 PolarHBondContact O-N 3.08Å
358Y98.9Very high98.9Very high0 Ų032.9 Ų32.90%017%0.169CC..Hα-helixtrans-65-41.6-179.5-172.1-87.4000111.5C54 Y57 I61 P162 F300 D354 I355 T356 N361 L362C54-Y358 PolarHBondContact SG-N 3.22Å; Y57-Y358 VanDerWaalsContact CB-CE2 3.49Å; Y57-Y358 HydrophobicContact CD2-CD2 4.48Å; Y57-Y358 HydrophobicContact CG-CD2 4.33Å; I61-Y358 HydrophobicContact CD1-CD2 4.03Å; I61-Y358 HydrophobicContact CD1-CE2 3.72Å; I61-Y358 HydrophobicContact CG1-CD2 4.32Å; I61-Y358 HydrophobicContact CG1-CE1 4.3Å; I61-Y358 HydrophobicContact CG1-CE2 3.5Å; I61-Y358 WeakPolarHBondContact CG1-OH 3.36Å; P162-Y358 HydrophobicContact CG-CD1 3.49Å; P162-Y358 VanDerWaalsContact CG-CD1 3.49Å; P162-Y358 HydrophobicContact CG-CE1 4.28Å; P162-Y358 HydrophobicContact CG-CG 4.14Å; F300-Y358 HydrophobicContact CB-CE1 4Å; F300-Y358 AromaticContact CD2-CD1 3.91Å; F300-Y358 HydrophobicContact CD2-CD1 3.91Å; F300-Y358 AromaticContact CD2-CD2 3.58Å; F300-Y358 HydrophobicContact CD2-CD2 3.58Å; F300-Y358 AromaticContact CD2-CE1 3.81Å; F300-Y358 HydrophobicContact CD2-CE1 3.81Å; F300-Y358 AromaticContact CD2-CE2 3.52Å; F300-Y358 HydrophobicContact CD2-CE2 3.52Å; F300-Y358 AromaticContact CD2-CG 3.76Å; F300-Y358 HydrophobicContact CD2-CG 3.76Å; F300-Y358 AromaticContact CD2-CZ 3.62Å; F300-Y358 HydrophobicContact CE2-CD1 4.23Å; F300-Y358 AromaticContact CE2-CD2 3.74Å; F300-Y358 HydrophobicContact CE2-CD2 3.74Å; F300-Y358 HydrophobicContact CE2-CE2 4.16Å; F300-Y358 AromaticContact CE2-CG 3.76Å; F300-Y358 HydrophobicContact CE2-CG 3.76Å; F300-Y358 HydrophobicContact CG-CD1 4.31Å; F300-Y358 HydrophobicContact CG-CE1 4Å; F300-Y358 HydrophobicContact CG-CE2 4.4Å; D354-Y358 VanDerWaalsContact O-CB 3.31Å; D354-Y358 WeakPolarHBondContact O-CB 3.41Å; D354-Y358 PolarHBondContact O-N 2.89Å; I355-Y358 PolarHBondContact O-N 3.01Å; T356-Y358 PolarHBondContact O-N 3.45Å; Y358-N361 PolarHBondContact O-N 2.92Å; Y358-L362 HydrophobicContact CD1-CB 4.36Å; Y358-L362 HydrophobicContact CD1-CD2 4.46Å; Y358-L362 HydrophobicContact CE1-CB 4.28Å; Y358-L362 HydrophobicContact CE1-CD2 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.2Å; Y358-L362 PolarHBondContact O-N 2.98Å
359W98.9Very high98.9Very high0 Ų031.6 Ų31.60%016%0.16CC..Hα-helixtrans-59.1-44.9173.5-88.4114000112.6V111 F114 I115 I129 Y161 P162 I355 T356 C357 L363V111-W359 HydrophobicContact CG1-CH2 3.89Å; V111-W359 HydrophobicContact CG1-CZ2 4.1Å; V111-W359 HydrophobicContact CG2-CZ2 4.34Å; F114-W359 HydrophobicContact CB-CB 4.5Å; F114-W359 VanDerWaalsContact CB-CD1 3.41Å; F114-W359 HydrophobicContact CB-CG 3.94Å; F114-W359 AromaticContact CD2-NE1 3.72Å; F114-W359 AromaticContact CG-CD1 3.69Å; F114-W359 AromaticContact CG-NE1 3.78Å; I115-W359 HydrophobicContact CG1-CE3 4.46Å; I115-W359 HydrophobicContact CG1-CZ3 4.5Å; I129-W359 HydrophobicContact CD1-CH2 4.31Å; I129-W359 HydrophobicContact CD1-CZ3 4.43Å; Y161-W359 HydrophobicContact CD1-CH2 4.46Å; Y161-W359 AromaticContact CD2-CH2 3.36Å; Y161-W359 HydrophobicContact CD2-CH2 3.36Å; Y161-W359 AromaticContact CD2-CZ2 3.18Å; Y161-W359 HydrophobicContact CD2-CZ2 3.18Å; Y161-W359 HydrophobicContact CE2-CH2 4.11Å; Y161-W359 AromaticContact CE2-CZ2 3.93Å; Y161-W359 HydrophobicContact CE2-CZ2 3.93Å; Y161-W359 AromaticContact CG-CH2 3.54Å; Y161-W359 HydrophobicContact CG-CH2 3.54Å; Y161-W359 AromaticContact CG-CZ2 3.81Å; Y161-W359 HydrophobicContact CG-CZ2 3.81Å; Y161-W359 HydrophobicContact CG-CZ3 4.37Å; P162-W359 HydrophobicContact CG-CG 4.28Å; P162-W359 PolarHBondContact O-NE1 3.49Å; I355-W359 PolarHBondContact O-N 3.23Å; I355-W359 VanDerWaalsContact O-N 3.15Å; T356-W359 PolarHBondContact O-N 2.97Å; C357-W359 PolarHBondContact O-N 2.88Å; W359-L363 HydrophobicContact CE3-CD1 3.94Å; W359-L363 HydrophobicContact CE3-CG 4.12Å; W359-L363 HydrophobicContact CZ3-CD1 4.4Å; W359-L363 HydrophobicContact CZ3-CD2 4.45Å; W359-L363 WeakPolarHBondContact O-CB 3.19Å; W359-L363 WeakPolarHBondContact O-CG 3.38Å; W359-L363 PolarHBondContact O-N 3.18Å
360E98.9Very high98.9Very high44 Ų4431.6 Ų31.621%0.20616%0.16CC..Hα-helixtrans-60.2-50.2177.6-175.4167.8167.600111.7V118 R121 T356 C357 S364V118-E360 HydrophobicContact CB-CB 4.02Å; V118-E360 HydrophobicContact CB-CG 4.27Å; V118-E360 HydrophobicContact CG1-CB 4.01Å; V118-E360 HydrophobicContact CG2-CB 4.24Å; R121-E360 VanDerWaalsContact CD-OE1 3.31Å; R121-E360 WeakPolarHBondContact CD-OE1 3.06Å; R121-E360 IonicContact CZ-OE1 3Å; R121-E360 IonicContact CZ-OE2 3.93Å; R121-E360 VanDerWaalsContact CZ-OE2 3.31Å; R121-E360 IonicContact NE-OE1 2.69Å; R121-E360 PolarHBondContact NE-OE1 3.32Å; R121-E360 IonicContact NE-OE2 3.32Å; R121-E360 PolarHBondContact NE-OE2 3.19Å; R121-E360 IonicContact NH2-OE2 3.2Å; R121-E360 PolarHBondContact NH2-OE2 3.07Å; T356-E360 PolarHBondContact O-N 2.85Å; C357-E360 PolarHBondContact O-N 3.14Å; E360-S364 WeakPolarHBondContact O-CB 3.42Å; E360-S364 PolarHBondContact O-N 3.34Å; E360-S364 PolarHBondContact O-OG 2.86Å
361N98.9Very high98.8Very high54 Ų5435.5 Ų35.529%0.28919%0.187SC..Hα-helixtrans-65.6-45.7-179.2-71.6-7000111.5C54 I61 C357 Y358 L363 S364 E365C54-N361 PolarHBondContact SG-ND2 3.07Å; I61-N361 HydrophobicContact CD1-CB 3.93Å; C357-N361 PolarHBondContact O-N 3.08Å; Y358-N361 PolarHBondContact O-N 2.92Å; N361-L363 PolarHBondContact O-N 2.98Å; N361-S364 PolarHBondContact O-N 3.12Å; N361-E365 WeakPolarHBondContact O-CG 3.27Å; N361-E365 PolarHBondContact O-N 2.89Å
362L98.9Very high98.8Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-58.5-50.7-179.8173.362.6000111.6I61 F148 I159 M160 Y358 Y366I61-L362 HydrophobicContact CD1-CB 4.18Å; I61-L362 HydrophobicContact CG1-CB 4.39Å; I61-L362 HydrophobicContact CG1-CD1 4.22Å; I61-L362 HydrophobicContact CG2-CD1 4.05Å; F148-L362 HydrophobicContact CD1-CD2 4.07Å; F148-L362 HydrophobicContact CE1-CD1 4.17Å; F148-L362 HydrophobicContact CE1-CD2 3.8Å; F148-L362 HydrophobicContact CE1-CG 3.93Å; I159-L362 HydrophobicContact CG2-CD1 3.69Å; I159-L362 HydrophobicContact CG2-CD2 4.48Å; M160-L362 VanDerWaalsContact O-CD2 3.31Å; M160-L362 WeakPolarHBondContact O-CD2 3.35Å; Y358-L362 HydrophobicContact CD1-CB 4.36Å; Y358-L362 HydrophobicContact CD1-CD2 4.46Å; Y358-L362 HydrophobicContact CE1-CB 4.28Å; Y358-L362 HydrophobicContact CE1-CD2 3.99Å; Y358-L362 WeakPolarHBondContact O-CB 3.2Å; Y358-L362 PolarHBondContact O-N 2.98Å; L362-Y366 WeakPolarHBondContact O-CB 3.37Å; L362-Y366 PolarHBondContact O-N 3.09Å
363L98.9Very high98.8Very high0 Ų039.1 Ų39.10%021%0.208CC..Hα-helixtrans-70.2-37.4-177.4-67.6177.4000111.4I115 L122 M125 F148 W359 N361 Y366 S367I115-L363 HydrophobicContact CG1-CD1 4.1Å; L122-L363 HydrophobicContact CD1-CB 4.1Å; L122-L363 HydrophobicContact CD1-CD1 3.68Å; L122-L363 HydrophobicContact CD2-CB 3.88Å; M125-L363 HydrophobicContact CE-CB 4.1Å; M125-L363 WeakPolarHBondContact CE-O 3.39Å; M125-L363 HydrophobicContact SD-CB 3.9Å; M125-L363 HydrophobicContact SD-CD2 4.2Å; F148-L363 HydrophobicContact CE1-CD2 4.37Å; F148-L363 HydrophobicContact CZ-CD2 4.41Å; W359-L363 HydrophobicContact CE3-CD1 3.94Å; W359-L363 HydrophobicContact CE3-CG 4.12Å; W359-L363 HydrophobicContact CZ3-CD1 4.4Å; W359-L363 HydrophobicContact CZ3-CD2 4.45Å; W359-L363 WeakPolarHBondContact O-CB 3.19Å; W359-L363 WeakPolarHBondContact O-CG 3.38Å; W359-L363 PolarHBondContact O-N 3.18Å; N361-L363 PolarHBondContact O-N 2.98Å; L363-Y366 PolarHBondContact O-N 3.48Å; L363-S367 WeakPolarHBondContact O-CB 3.37Å; L363-S367 PolarHBondContact O-N 3.02Å
364S98.9Very high98.8Very high29 Ų2934.2 Ų34.220%0.20318%0.182CC..Hα-helixtrans-61.6-47.4175.1-62.40000111.8L122 E360 N361 S367L122-S364 WeakPolarHBondContact CD2-OG 3.17Å; E360-S364 WeakPolarHBondContact O-CB 3.42Å; E360-S364 PolarHBondContact O-N 3.34Å; E360-S364 PolarHBondContact O-OG 2.86Å; N361-S364 PolarHBondContact O-N 3.12Å; S364-S367 PolarHBondContact O-OG 3.16Å
365E98.9Very high98.8Very high57 Ų5738.1 Ų38.127%0.26621%0.206SC..Hα-helixtrans-66.8-44.3176.6-69-50.8129.400112I61 L65 N361 S367 K368 F369I61-E365 HydrophobicContact CG2-CB 4.13Å; I61-E365 HydrophobicContact CG2-CG 4.35Å; L65-E365 HydrophobicContact CD1-CB 3.74Å; N361-E365 WeakPolarHBondContact O-CG 3.27Å; N361-E365 PolarHBondContact O-N 2.89Å; E365-S367 VanDerWaalsContact C-N 3.3Å; E365-S367 PolarHBondContact O-N 3.02Å; E365-K368 WeakPolarHBondContact O-CB 3.47Å; E365-K368 PolarHBondContact O-N 2.84Å; E365-K368 IonicContact OE1-NZ 2.84Å; E365-K368 PolarHBondContact OE1-NZ 3.03Å; E365-K368 WeakPolarHBondContact OE2-CE 3.44Å; E365-K368 IonicContact OE2-NZ 3.5Å; E365-K368 PolarHBondContact OE2-NZ 3.01Å; E365-F369 WeakPolarHBondContact O-CD2 3.45Å; E365-F369 WeakPolarHBondContact O-CE2 3.25Å
366Y98.9Very high98.8Very high0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-55.7-43.7177.2171.4-100.2000112.6L65 I72 M77 M125 E126 M127 P146 F148 I159 L362 L363 K368 F369 L370L65-Y366 HydrophobicContact CD2-CD2 3.93Å; I72-Y366 HydrophobicContact CD1-CD2 4.14Å; I72-Y366 HydrophobicContact CD1-CE2 3.35Å; M77-Y366 WeakPolarHBondContact CE-OH 3.48Å; M125-Y366 HydrophobicContact SD-CD1 4.27Å; E126-Y366 WeakPolarHBondContact O-CE1 3.36Å; E126-Y366 PolarHBondContact O-OH 2.85Å; M127-Y366 HydrophobicContact CB-CE1 4Å; P146-Y366 HydrophobicContact CB-CE2 3.94Å; F148-Y366 HydrophobicContact CE2-CD1 4.33Å; F148-Y366 AromaticContact CE2-CD2 3.95Å; F148-Y366 HydrophobicContact CE2-CD2 3.95Å; F148-Y366 HydrophobicContact CE2-CE1 4.17Å; F148-Y366 AromaticContact CE2-CE2 3.75Å; F148-Y366 HydrophobicContact CE2-CE2 3.75Å; F148-Y366 HydrophobicContact CE2-CG 4.23Å; F148-Y366 AromaticContact CE2-CZ 3.88Å; F148-Y366 AromaticContact CZ-CD1 4Å; F148-Y366 HydrophobicContact CZ-CD1 4Å; F148-Y366 AromaticContact CZ-CD2 3.58Å; F148-Y366 HydrophobicContact CZ-CD2 3.58Å; F148-Y366 HydrophobicContact CZ-CE1 4.31Å; F148-Y366 AromaticContact CZ-CE2 3.91Å; F148-Y366 HydrophobicContact CZ-CE2 3.91Å; F148-Y366 AromaticContact CZ-CG 3.63Å; F148-Y366 HydrophobicContact CZ-CG 3.63Å; I159-Y366 HydrophobicContact CD1-CD2 4.01Å; I159-Y366 HydrophobicContact CD1-CE2 4.06Å; L362-Y366 WeakPolarHBondContact O-CB 3.37Å; L362-Y366 PolarHBondContact O-N 3.09Å; L363-Y366 PolarHBondContact O-N 3.48Å; Y366-K368 PolarHBondContact O-N 3.49Å; Y366-K368 VanDerWaalsContact O-N 3.13Å; Y366-F369 PolarHBondContact O-N 3.24Å; Y366-L370 HydrophobicContact CE1-CD1 4.4Å; Y366-L370 HydrophobicContact CE1-CG 4.49Å
367S98.9Very high98.8Very high18 Ų1848 Ų4813%0.12624%0.242CC..Hα-helixtrans-57.9-30-176.474.40000113.6P123 L363 S364 E365 F369 L370P123-S367 WeakPolarHBondContact CG-OG 3.48Å; L363-S367 WeakPolarHBondContact O-CB 3.37Å; L363-S367 PolarHBondContact O-N 3.02Å; S364-S367 PolarHBondContact O-OG 3.16Å; E365-S367 VanDerWaalsContact C-N 3.3Å; E365-S367 PolarHBondContact O-N 3.02Å; S367-F369 PolarHBondContact O-N 3.36Å; S367-L370 PolarHBondContact O-N 3.32Å
368K98.8Very high98.7Very high134 Ų13457 Ų5758%0.58328%0.278SS*.THydrogen-bonded Turntrans-66.2-21.5179.7-58.3175.6-170.1169.90112.5E365 Y366E365-K368 WeakPolarHBondContact O-CB 3.47Å; E365-K368 PolarHBondContact O-N 2.84Å; E365-K368 IonicContact OE1-NZ 2.84Å; E365-K368 PolarHBondContact OE1-NZ 3.03Å; E365-K368 WeakPolarHBondContact OE2-CE 3.44Å; E365-K368 IonicContact OE2-NZ 3.5Å; E365-K368 PolarHBondContact OE2-NZ 3.01Å; Y366-K368 PolarHBondContact O-N 3.49Å; Y366-K368 VanDerWaalsContact O-N 3.13Å
369F98.8Very high98.6Very high45 Ų4559.1 Ų59.120%0.19730%0.3CS..THydrogen-bonded Turntrans-88.1-9.7-179.4-61.2-65.2000113.2L65 R69 G71 I72 E365 Y366 S367 S371L65-F369 HydrophobicContact CB-CD2 4.43Å; L65-F369 HydrophobicContact CB-CE2 3.87Å; L65-F369 HydrophobicContact CD1-CD2 4.35Å; L65-F369 HydrophobicContact CD1-CE2 3.9Å; L65-F369 HydrophobicContact CG-CE2 4.43Å; R69-F369 HydrophobicContact CB-CE1 4.26Å; R69-F369 HydrophobicContact CG-CE1 3.94Å; R69-F369 HydrophobicContact CG-CZ 4.21Å; G71-F369 CarbonylContact C-O 3.59Å; G71-F369 VanDerWaalsContact CA-O 3.31Å; G71-F369 WeakPolarHBondContact CA-O 3.47Å; I72-F369 HydrophobicContact CD1-CB 4.1Å; I72-F369 HydrophobicContact CG1-CB 4.45Å; I72-F369 PolarHBondContact N-O 3.21Å; E365-F369 WeakPolarHBondContact O-CD2 3.45Å; E365-F369 WeakPolarHBondContact O-CE2 3.25Å; Y366-F369 PolarHBondContact O-N 3.24Å; S367-F369 PolarHBondContact O-N 3.36Å; F369-S371 PolarHBondContact O-N 3.04Å
370L98.8Very high98.6Very high22 Ų2260.2 Ų60.212%0.11530%0.304CS..BIsolated β-bridgetrans-71.6119.5173.5-67.5170.5000110.2I72 M77 M125 Y366 S367 Y372 V374I72-L370 HydrophobicContact CB-CD2 4.02Å; I72-L370 HydrophobicContact CG2-CD2 3.79Å; M77-L370 HydrophobicContact CE-CD2 4.3Å; M125-L370 HydrophobicContact CB-CD1 3.64Å; Y366-L370 HydrophobicContact CE1-CD1 4.4Å; Y366-L370 HydrophobicContact CE1-CG 4.49Å; S367-L370 PolarHBondContact O-N 3.32Å; L370-Y372 HydrophobicContact CB-CE1 4.39Å; L370-Y372 HydrophobicContact CD2-CE1 3.71Å; L370-Y372 PolarHBondContact O-N 3.43Å; L370-V374 HydrophobicContact CD1-CG2 4.19Å
371S98.6Very high98.6Very high82 Ų8263 Ų6357%0.57332%0.321SS*.  trans-90.324.4-177.558.80000113.8I72 S73 F369I72-S371 PolarHBondContact O-N 3.37Å; I72-S371 PolarHBondContact O-OG 2.83Å; S73-S371 WeakPolarHBondContact CA-OG 3.04Å; F369-S371 PolarHBondContact O-N 3.04Å
372Y98.8Very high98.5Very high31 Ų3164.2 Ų64.212%0.12233%0.325CS..SBendtrans-159155.9-176.167-78.5000111.7I72 R74 M77 E126 L370 V374I72-Y372 WeakPolarHBondContact O-CD1 3.29Å; I72-Y372 WeakPolarHBondContact O-CE1 3.29Å; R74-Y372 HydrophobicContact CB-CD1 4.03Å; R74-Y372 HydrophobicContact CB-CD2 3.9Å; R74-Y372 HydrophobicContact CB-CE1 4.29Å; R74-Y372 HydrophobicContact CB-CE2 4.12Å; R74-Y372 HydrophobicContact CB-CG 3.84Å; R74-Y372 HydrophobicContact CG-CD2 4.13Å; R74-Y372 HydrophobicContact CG-CE2 4.14Å; R74-Y372 VanDerWaalsContact CZ-CD2 3.46Å; R74-Y372 VanDerWaalsContact N-CD1 3.26Å; M77-Y372 VanDerWaalsContact CB-OH 3.24Å; M77-Y372 WeakPolarHBondContact CB-OH 3.33Å; M77-Y372 WeakPolarHBondContact CG-OH 3.49Å; E126-Y372 VanDerWaalsContact CG-OH 3.32Å; E126-Y372 WeakPolarHBondContact CG-OH 3.45Å; E126-Y372 WeakPolarHBondContact OE1-CE2 3.42Å; E126-Y372 PolarHBondContact OE1-OH 3.4Å; L370-Y372 HydrophobicContact CB-CE1 4.39Å; L370-Y372 HydrophobicContact CD2-CE1 3.71Å; L370-Y372 PolarHBondContact O-N 3.43Å; Y372-V374 HydrophobicContact CE2-CG2 4.21Å
373N98.6Very high98.5Very high143 Ų14365.6 Ų65.677%0.76533%0.332SS*.  trans-79.2128172.9-67.6-23.2000111.1R74R74-N373 PolarHBondContact NH2-O 3.13Å
374V98.6Very high98.2Very high17 Ų1771 Ų7110%0.10336%0.359CS..  trans-70.2140.5180178.50000110.6Q90 I92 E126 L370 Y372Q90-V374 HydrophobicContact CB-CG1 4.44Å; I92-V374 HydrophobicContact CD1-CG1 4.1Å; I92-V374 HydrophobicContact CG1-CG1 4.15Å; E126-V374 HydrophobicContact CB-CG1 3.84Å; E126-V374 HydrophobicContact CB-CG2 4.21Å; E126-V374 HydrophobicContact CG-CG1 3.99Å; E126-V374 HydrophobicContact CG-CG2 3.86Å; L370-V374 HydrophobicContact CD1-CG2 4.19Å; Y372-V374 HydrophobicContact CE2-CG2 4.21Å
375T98.4Very high97.3Very high86 Ų8673.7 Ų73.753%0.52838%0.376SS..  trans-123.5129.9175.748.90000109.4Q90 R377Q90-T375 PolarHBondContact NE2-O 3.18Å; T375-R377 PolarHBondContact O-N 3.04Å
376R98.4Very high95.9Very high130 Ų13078.6 Ų78.649%0.49140%0.397SS..PPolyproline II helixtrans-58.5128.4-178.8-173.5-177.3163.4-163.2-0.4109.7I92 Y97 Y380I92-R376 VanDerWaalsContact CD1-CA 3.46Å; I92-R376 HydrophobicContact CD1-CB 3.54Å; I92-R376 HydrophobicContact CD1-CG 4.42Å; Y97-R376 HydrophobicContact CD1-CG 4.33Å; Y97-R376 VanDerWaalsContact CD1-NE 3.29Å; Y97-R376 HydrophobicContact CD2-CG 4.49Å; Y97-R376 VanDerWaalsContact CE1-CZ 3.47Å; Y97-R376 VanDerWaalsContact CE1-NE 3.34Å; Y97-R376 HydrophobicContact CG-CG 4.28Å; R376-Y380 PolarHBondContact NE-O 2.83Å; R376-Y380 PolarHBondContact NH2-O 3.3Å
377R98.4Very high93.7Very high90 Ų9087 Ų8734%0.3444%0.438SS..PPolyproline II helixtrans-71.6136.7171.9-70.9-165.8178.9-154.54.7110.7T375 G379 Y380T375-R377 PolarHBondContact O-N 3.04Å; R377-G379 PolarHBondContact O-N 3.44Å; R377-Y380 HydrophobicContact CB-CD1 3.83Å; R377-Y380 HydrophobicContact CB-CD2 4.11Å; R377-Y380 HydrophobicContact CB-CE1 3.93Å; R377-Y380 HydrophobicContact CB-CE2 4.2Å; R377-Y380 HydrophobicContact CB-CG 3.92Å; R377-Y380 PolarHBondContact O-N 3.31Å
378K97.8Very high91.3Very high215 Ų21593.7 Ų93.794%0.93547%0.472SS*.THydrogen-bonded Turntrans-62.8134.2174.5-172.6178.2179.5-178.70109.4Y380K378-Y380 VanDerWaalsContact C-N 3.34Å
379G96.9Very high88.4Confident45 Ų4596.6 Ų96.646%0.46448%0.484SS..THydrogen-bonded Turntrans84.32179.500000115N100 R377N100-G379 PolarHBondContact OD1-O 3.31Å; R377-G379 PolarHBondContact O-N 3.44Å
380Y98.4Very high85.4Confident22 Ų22100.3 Ų100.39%0.08651%0.511CS..PPolyproline II helixtrans-82.9117169.5-79.325.8000108.8H88 Q90 R98 E99 R376 R377 K378H88-Y380 HydrophobicContact CB-CE2 4.32Å; H88-Y380 AromaticContact CE1-CE2 3.9Å; H88-Y380 AromaticContact CG-CE2 3.99Å; H88-Y380 AromaticContact ND1-CE2 3.23Å; H88-Y380 WeakPolarHBondContact ND1-CE2 3.38Å; H88-Y380 AromaticContact ND1-CZ 3.44Å; H88-Y380 PolarHBondContact ND1-OH 2.82Å; Q90-Y380 HydrophobicContact CG-CD2 4.39Å; Q90-Y380 HydrophobicContact CG-CE2 4.45Å; R98-Y380 VanDerWaalsContact C-CD2 3.4Å; R98-Y380 WeakPolarHBondContact O-CA 3.29Å; R98-Y380 WeakPolarHBondContact O-CB 3.13Å; E99-Y380 HydrophobicContact CB-CD1 4.38Å; E99-Y380 HydrophobicContact CB-CE1 3.67Å; E99-Y380 HydrophobicContact CB-CE2 4.05Å; E99-Y380 VanDerWaalsContact CB-CZ 3.48Å; R376-Y380 PolarHBondContact NE-O 2.83Å; R376-Y380 PolarHBondContact NH2-O 3.3Å; R377-Y380 HydrophobicContact CB-CD1 3.83Å; R377-Y380 HydrophobicContact CB-CD2 4.11Å; R377-Y380 HydrophobicContact CB-CE1 3.93Å; R377-Y380 HydrophobicContact CB-CE2 4.2Å; R377-Y380 HydrophobicContact CB-CG 3.92Å; R377-Y380 PolarHBondContact O-N 3.31Å; K378-Y380 VanDerWaalsContact C-N 3.34Å
381D97.9Very high82.4Confident103 Ų103108.5 Ų108.555%0.55155%0.549SS*.EExtended strand (participates in β ladder)trans-72.6148.7177.4-70.1-30.3000110.7Y97 R98Y97-D381 WeakPolarHBondContact CA-O 3.27Å; R98-D381 PolarHBondContact N-O 2.7Å
382Q98.4Very high79.2Confident79 Ų79116 Ų11637%0.36958%0.581SS.*EExtended strand (participates in β ladder)trans-72.8129.5171.7-174.1-179.6-24.300108.4R95 L96 Y97 I384R95-Q382 HydrophobicContact CB-CG 4.49Å; L96-Q382 CarbonylContact O-C 3.19Å; L96-Q382 WeakPolarHBondContact O-CA 3.41Å; L96-Q382 WeakPolarHBondContact O-CG 3.28Å; Y97-Q382 HydrophobicContact CD1-CB 3.96Å; Y97-Q382 HydrophobicContact CD1-CG 4.45Å; Y97-Q382 HydrophobicContact CE1-CB 3.8Å; Y97-Q382 HydrophobicContact CE1-CG 4.15Å; Q382-I384 HydrophobicContact CG-CG1 4.23Å
383I98.3Very high78.2Confident29 Ų29120.2 Ų120.215%0.14960%0.604CS.*EExtended strand (participates in β ladder)trans-82124.8169.9-52.5-55.8000107.8L96 R98 E112 L116L96-I383 HydrophobicContact CB-CB 4.26Å; L96-I383 HydrophobicContact CD2-CB 4.06Å; L96-I383 HydrophobicContact CD2-CG1 4.38Å; L96-I383 HydrophobicContact CD2-CG2 4.33Å; L96-I383 HydrophobicContact CG-CB 4.16Å; L96-I383 HydrophobicContact CG-CG1 4.29Å; L96-I383 PolarHBondContact O-N 3.33Å; R98-I383 HydrophobicContact CB-CD1 3.92Å; R98-I383 HydrophobicContact CB-CG1 3.87Å; E112-I383 HydrophobicContact CB-CG2 4.17Å; E112-I383 HydrophobicContact CG-CG2 3.96Å; L116-I383 HydrophobicContact CD1-CG2 4.17Å
384I93.6Very high77.2Confident114 Ų114119 Ų11959%0.58560%0.595SS**  trans-116.6144.7-177.9-59175000107.1Q382 K386Q382-I384 HydrophobicContact CG-CG1 4.23Å; I384-K386 PolarHBondContact O-N 3.21Å
385P79.5Confident76Confident86 Ų86124.7 Ų124.756%0.55862%0.622SS**  trans-50.5131171.7-24.732.3000110.4L116 M387L116-P385 HydrophobicContact CD1-CG 4.27Å; P385-M387 PolarHBondContact O-N 3.31Å
386K69.4Low74.7Confident159 Ų159126.9 Ų126.969%0.69163%0.628SS**  trans-63.7110.7167-75.1178.5-176.5163.90106.5I384 L388I384-K386 PolarHBondContact O-N 3.21Å; K386-L388 PolarHBondContact O-N 2.98Å
387M52.3Low73.2Confident178 Ų178126.8 Ų126.888%0.87764%0.637SS**  trans-57.1112163.5-70.9-113.6-8100105.9P385 K389P385-M387 PolarHBondContact O-N 3.31Å; M387-K389 PolarHBondContact O-N 3.04Å
388L47.5Very low71.5Confident158 Ų158129.2 Ų129.283%0.82766%0.656SS**  trans-53.3109.8164.8-83155.6000104.9K386 T390K386-L388 PolarHBondContact O-N 2.98Å; L388-T390 VanDerWaalsContact C-N 3.25Å; L388-T390 PolarHBondContact O-N 2.88Å
389K37.9Very low69.6Low195 Ų195123.1 Ų123.185%0.84864%0.636SS**  trans-59.7104.3164.1-73.9-172.5177.7-177.30104.1M387 E391M387-K389 PolarHBondContact O-N 3.04Å; K389-E391 VanDerWaalsContact C-N 3.31Å; K389-E391 PolarHBondContact O-N 3.19Å
390T35.9Very low67.5Low122 Ų122129.1 Ų129.175%0.74865%0.65SS**  trans-56.9106.2162.238.10000104.9L388 L392L388-T390 VanDerWaalsContact C-N 3.25Å; L388-T390 PolarHBondContact O-N 2.88Å; T390-L392 PolarHBondContact O-N 3.45Å
391E37.3Very low64.9Low195 Ų195138 Ų13891%0.91170%0.697SS**  trans-58111169.4-68.2-176161.100106.2K389K389-E391 VanDerWaalsContact C-N 3.31Å; K389-E391 PolarHBondContact O-N 3.19Å
392L31.1Very low61.9Low238 Ų238141.2 Ų141.2100%1.24671%0.71SS**  trans-80.40167.3-93.3162.7000109.2T390T390-L392 PolarHBondContact O-N 3.45Å

Retrieved 392 of 392 residues in 76.9 ms (Link to these results)

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