A0A096NEQ5_PAPAN Loading...

DnaJ homolog subfamily C member 16

Plays an important role in regulating the size of autophagosomes during the formation process.

AlphaFold DB , UniProt , Accession A0A096NEQ5, Species PAPAN (Papio anubis, Olive baboon), Gene DNAJC16, Length 782 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
1M41.1Very low50.8Low239 Ų239163.7 Ų163.7100%1.17780%0.797SS**  0118.10-74.8160.662.600107.3
2E36.8Very low52.6Low189 Ų189163.1 Ų163.188%0.88379%0.787SS**  trans-126.6116.1174.7-68.5-167.1135.400109.6R4E2-R4 PolarHBondContact O-N 3.38Å
3V40.8Very low54.4Low135 Ų135157.5 Ų157.582%0.81876%0.763SS**  trans-86.8101.4177.6-178.80000108.2K5V3-K5 PolarHBondContact O-N 2.64Å
4R43Very low56.1Low231 Ų231152.4 Ų152.487%0.87274%0.74SS**  trans-62.9108.3172.7-74.1-174.2172.9-170.6-2.4109.5E2 L6E2-R4 PolarHBondContact O-N 3.38Å; R4-L6 PolarHBondContact O-N 3.07Å
5K49Very low57.7Low202 Ų202147.3 Ų147.388%0.87872%0.721SS**  trans-62.6119.7172-68.5-179.8177178.90109.3V3 S7V3-K5 PolarHBondContact O-N 2.64Å; K5-S7 PolarHBondContact O-N 3.25Å
6L43.3Very low58.9Low154 Ų154144.6 Ų144.681%0.80671%0.71SS**  trans-68.3114.9165.7-99.869.4000108.7R4 I8R4-L6 PolarHBondContact O-N 3.07Å; L6-I8 PolarHBondContact O-N 2.95Å
7S56.1Low59.9Low122 Ų122139.9 Ų139.985%0.85369%0.692SS**  trans-81.4101.3166.4-169.80000108.5K5 S9K5-S7 PolarHBondContact O-N 3.25Å; S7-S9 PolarHBondContact O-N 2.73Å
8I56.8Low60.6Low125 Ų125137.1 Ų137.164%0.64168%0.679SS**  trans-75.8116.3173.2-62.8174.4000107.3L6 W10 F12L6-I8 PolarHBondContact O-N 2.95Å; I8-W10 PolarHBondContact O-N 2.95Å; I8-F12 HydrophobicContact CG2-CB 4.39Å
9S67.1Low61.1Low55 Ų55134.5 Ų134.539%0.38567%0.667SS.*  trans-57.5134.4-179.7178.30000111S7 Q11 F12 L13S7-S9 PolarHBondContact O-N 2.73Å; S9-Q11 PolarHBondContact O-N 3.37Å; S9-Q11 VanDerWaalsContact O-N 3.1Å; S9-F12 WeakPolarHBondContact O-CB 3.24Å; S9-F12 PolarHBondContact O-N 3.13Å; S9-L13 PolarHBondContact O-N 3.12Å
10W59.7Low61Low205 Ų205132.9 Ų132.978%0.77766%0.661SS**Hα-helixtrans-56.6-30-180-138.345.7000112.3I8 F12 L13 I14I8-W10 PolarHBondContact O-N 2.95Å; W10-F12 PolarHBondContact O-N 3.36Å; W10-L13 WeakPolarHBondContact O-CB 3.47Å; W10-L13 PolarHBondContact O-N 3.44Å; W10-I14 HydrophobicContact CE3-CD1 4.35Å; W10-I14 WeakPolarHBondContact O-CG1 3.34Å; W10-I14 PolarHBondContact O-N 3.23Å
11Q65.4Low60.7Low144 Ų144132.5 Ų132.567%0.67366%0.657SS**Hα-helixtrans-62.3-38.6174.1-67172.8-25.500112.8S9 L13 I14 V15S9-Q11 PolarHBondContact O-N 3.37Å; S9-Q11 VanDerWaalsContact O-N 3.1Å; Q11-L13 VanDerWaalsContact C-N 3.29Å; Q11-L13 PolarHBondContact O-N 3.07Å; Q11-I14 PolarHBondContact O-N 2.77Å; Q11-V15 WeakPolarHBondContact O-CB 3.31Å; Q11-V15 WeakPolarHBondContact O-CG2 3.4Å; Q11-V15 PolarHBondContact O-N 3.26Å
12F72.7Confident61.5Low156 Ų156126.9 Ų126.968%0.68463%0.63SS**Hα-helixtrans-65.8-34.6175.1-103-88.9000111.8I8 S9 W10 L16I8-F12 HydrophobicContact CG2-CB 4.39Å; S9-F12 WeakPolarHBondContact O-CB 3.24Å; S9-F12 PolarHBondContact O-N 3.13Å; W10-F12 PolarHBondContact O-N 3.36Å; F12-L16 VanDerWaalsContact O-CB 3.27Å; F12-L16 WeakPolarHBondContact O-CB 3.35Å; F12-L16 PolarHBondContact O-N 3.41Å
13L75.7Confident62.1Low91 Ų91123.3 Ų123.348%0.47662%0.617SS.*Hα-helixtrans-71.3-40.9178.4-149.2160.3000110.8S9 W10 Q11 L16 V17S9-L13 PolarHBondContact O-N 3.12Å; W10-L13 WeakPolarHBondContact O-CB 3.47Å; W10-L13 PolarHBondContact O-N 3.44Å; Q11-L13 VanDerWaalsContact C-N 3.29Å; Q11-L13 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 2.93Å; L13-V17 HydrophobicContact CD2-CG2 4.16Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 3.03Å
14I78.1Confident62.4Low86 Ų86120.9 Ų120.944%0.44161%0.606SS.*Hα-helixtrans-62.6-45.8172.6-66.8163.8000111.2W10 Q11 L16 V17 L18W10-I14 HydrophobicContact CE3-CD1 4.35Å; W10-I14 WeakPolarHBondContact O-CG1 3.34Å; W10-I14 PolarHBondContact O-N 3.23Å; Q11-I14 PolarHBondContact O-N 2.77Å; I14-L16 PolarHBondContact O-N 2.96Å; I14-V17 PolarHBondContact O-N 2.83Å; I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CG 3.15Å; I14-L18 PolarHBondContact O-N 3.21Å
15V79.4Confident62.5Low75 Ų75113.8 Ų113.846%0.45560%0.597SS.*Hα-helixtrans-64-39.9176.9169.10000111.5Q11 V17 L18 I19Q11-V15 WeakPolarHBondContact O-CB 3.31Å; Q11-V15 WeakPolarHBondContact O-CG2 3.4Å; Q11-V15 PolarHBondContact O-N 3.26Å; V15-V17 PolarHBondContact O-N 2.92Å; V15-L18 PolarHBondContact O-N 3.4Å; V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.4Å; V15-I19 WeakPolarHBondContact O-CB 3.29Å; V15-I19 VanDerWaalsContact O-CG1 3.26Å; V15-I19 WeakPolarHBondContact O-CG1 3.35Å; V15-I19 PolarHBondContact O-N 3.25Å
16L77.1Confident62.5Low104 Ų104111.3 Ų111.355%0.54559%0.592SS.*Hα-helixtrans-62.7-41.4174.8-172.672.1000111.9F12 L13 I14 I19 L20F12-L16 VanDerWaalsContact O-CB 3.27Å; F12-L16 WeakPolarHBondContact O-CB 3.35Å; F12-L16 PolarHBondContact O-N 3.41Å; L13-L16 PolarHBondContact O-N 2.93Å; I14-L16 PolarHBondContact O-N 2.96Å; L16-I19 PolarHBondContact O-N 2.85Å; L16-L20 HydrophobicContact CG-CD1 4.25Å; L16-L20 WeakPolarHBondContact O-CB 3.43Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 2.84Å
17V76.5Confident63.1Low65 Ų65110.9 Ų110.939%0.39459%0.591SS.*Hα-helixtrans-66.7-40.9176.4168.40000111.6L13 I14 V15 L20 Q21L13-V17 HydrophobicContact CD2-CG2 4.16Å; L13-V17 WeakPolarHBondContact O-CG2 3.27Å; L13-V17 PolarHBondContact O-N 3.03Å; I14-V17 PolarHBondContact O-N 2.83Å; V15-V17 PolarHBondContact O-N 2.92Å; V17-L20 PolarHBondContact O-N 3.41Å; V17-Q21 WeakPolarHBondContact O-CG 3.41Å; V17-Q21 PolarHBondContact O-N 3.02Å
18L72.8Confident64Low90 Ų90107.5 Ų107.547%0.47156%0.561SS.*Hα-helixtrans-64.4-42.4174.3-74.1167.6000111.8I14 V15 Q21 I22I14-L18 HydrophobicContact CG2-CD1 4.05Å; I14-L18 WeakPolarHBondContact O-CG 3.15Å; I14-L18 PolarHBondContact O-N 3.21Å; V15-L18 PolarHBondContact O-N 3.4Å; L18-Q21 PolarHBondContact O-N 3.29Å; L18-I22 VanDerWaalsContact O-CG1 3.29Å; L18-I22 WeakPolarHBondContact O-CG1 3.47Å; L18-I22 PolarHBondContact O-N 3.28Å
19I70.2Confident65.2Low87 Ų87102.5 Ų102.545%0.44654%0.535SS..Hα-helixtrans-62.3-42174.6-72.5168.2000110.9V15 L16 I22 L23V15-I19 HydrophobicContact CG1-CD1 3.71Å; V15-I19 HydrophobicContact CG1-CG1 4.4Å; V15-I19 WeakPolarHBondContact O-CB 3.29Å; V15-I19 VanDerWaalsContact O-CG1 3.26Å; V15-I19 WeakPolarHBondContact O-CG1 3.35Å; V15-I19 PolarHBondContact O-N 3.25Å; L16-I19 PolarHBondContact O-N 2.85Å; I19-I22 PolarHBondContact O-N 3.3Å; I19-L23 HydrophobicContact CG2-CD1 3.92Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 PolarHBondContact O-N 2.93Å
20L59.5Low66Low103 Ų10399.9 Ų99.954%0.53952%0.517SS..Hα-helixtrans-63.4-39.6174.3-82.5162.7000112.6L16 V17 L23 S24L16-L20 HydrophobicContact CG-CD1 4.25Å; L16-L20 WeakPolarHBondContact O-CB 3.43Å; L16-L20 WeakPolarHBondContact O-CG 3.49Å; L16-L20 PolarHBondContact O-N 2.84Å; V17-L20 PolarHBondContact O-N 3.41Å; L20-L23 PolarHBondContact O-N 3.2Å; L20-S24 PolarHBondContact O-N 2.68Å; L20-S24 PolarHBondContact O-OG 3.4Å
21Q54.2Low67.4Low124 Ų12490.3 Ų90.358%0.57948%0.481SS*.Hα-helixtrans-67.5-40.5175.7-76.3-171.8-14.900112.2V17 L18 S24 A25V17-Q21 WeakPolarHBondContact O-CG 3.41Å; V17-Q21 PolarHBondContact O-N 3.02Å; L18-Q21 PolarHBondContact O-N 3.29Å; Q21-S24 WeakPolarHBondContact CA-OG 3.45Å; Q21-S24 PolarHBondContact O-N 3.24Å; Q21-S24 PolarHBondContact O-OG 3.14Å; Q21-A25 PolarHBondContact O-N 2.95Å
22I56.5Low68.3Low121 Ų12192.8 Ų92.862%0.62148%0.484SS*.Hα-helixtrans-64.9-40.7174.7-67.2163.8000111.1L18 I19 S24 A25L18-I22 VanDerWaalsContact O-CG1 3.29Å; L18-I22 WeakPolarHBondContact O-CG1 3.47Å; L18-I22 PolarHBondContact O-N 3.28Å; I19-I22 PolarHBondContact O-N 3.3Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 3.35Å; I22-A25 WeakPolarHBondContact O-CB 3.37Å; I22-A25 PolarHBondContact O-N 2.75Å; I22-A25 VanDerWaalsContact O-N 3.17Å
23L50.8Low69Low114 Ų11487.1 Ų87.160%0.59746%0.462SS*.Hα-helixtrans-62.2-36.7172.6-88.9155.8000112.4I19 L20 A25 L26I19-L23 HydrophobicContact CG2-CD1 3.92Å; I19-L23 WeakPolarHBondContact O-CB 3.49Å; I19-L23 PolarHBondContact O-N 2.93Å; L20-L23 PolarHBondContact O-N 3.2Å; L23-A25 PolarHBondContact O-N 3.33Å; L23-L26 PolarHBondContact O-N 2.97Å
24S46.3Very low69.5Low85 Ų8583 Ų8359%0.59444%0.441SS*.THydrogen-bonded Turntrans-73-3.1176.372.70000114.9L20 Q21 I22L20-S24 PolarHBondContact O-N 2.68Å; L20-S24 PolarHBondContact O-OG 3.4Å; Q21-S24 WeakPolarHBondContact CA-OG 3.45Å; Q21-S24 PolarHBondContact O-N 3.24Å; Q21-S24 PolarHBondContact O-OG 3.14Å; I22-S24 VanDerWaalsContact C-N 3.31Å; I22-S24 PolarHBondContact O-N 3.35Å
25A45.7Very low69.9Low82 Ų8282.1 Ų82.168%0.67845%0.453SS*.THydrogen-bonded Turntrans-97.24.917800000113.9Q21 I22 L23Q21-A25 PolarHBondContact O-N 2.95Å; I22-A25 WeakPolarHBondContact O-CB 3.37Å; I22-A25 PolarHBondContact O-N 2.75Å; I22-A25 VanDerWaalsContact O-N 3.17Å; L23-A25 PolarHBondContact O-N 3.33Å
26L47.9Very low70.4Confident149 Ų14979.8 Ų79.878%0.7844%0.439SS*.SBendtrans-88.2-17.7-179.2-127.676.9000114.6L23L23-L26 PolarHBondContact O-N 2.97Å
27D57.2Low70.9Confident145 Ų14578 Ų7878%0.77544%0.435SS*.  trans-99.9118-175.8-69.4-29.3000112.3D29D27-D29 PolarHBondContact O-N 3.24Å
28F74.3Confident71.3Confident52 Ų5281.5 Ų81.523%0.22844%0.441CS..  trans-81.495.1174.8-179.9-99.3000111.2P30 V33 Q72 K75 A76 I79 Y89F28-P30 HydrophobicContact CE1-CB 4.22Å; F28-P30 WeakPolarHBondContact O-CD 3.36Å; F28-V33 HydrophobicContact CD2-CG2 4.43Å; F28-V33 HydrophobicContact CE2-CG2 4Å; F28-Q72 HydrophobicContact CE2-CB 4.44Å; F28-K75 HydrophobicContact CD1-CD 4.19Å; F28-K75 HydrophobicContact CE1-CB 4.45Å; F28-K75 HydrophobicContact CE1-CD 3.57Å; F28-K75 HydrophobicContact CE1-CG 3.89Å; F28-K75 HydrophobicContact CE2-CD 4.34Å; F28-K75 HydrophobicContact CZ-CB 3.9Å; F28-K75 HydrophobicContact CZ-CD 3.67Å; F28-K75 HydrophobicContact CZ-CG 3.84Å; F28-A76 HydrophobicContact CZ-CB 4.17Å; F28-I79 HydrophobicContact CE1-CD1 3.95Å; F28-Y89 PolarHBondContact O-OH 3.12Å
29D82.5Confident71.8Confident19 Ų1983.2 Ų83.210%0.10246%0.455CS..  trans-95.8104.3174.7-172.1-21.1000110.8D27 Y31 R32 V33 R38D27-D29 PolarHBondContact O-N 3.24Å; D29-Y31 PolarHBondContact O-N 3.06Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.23Å; D29-Y31 PolarHBondContact OD1-N 2.84Å; D29-R32 HydrophobicContact CB-CB 4.26Å; D29-R32 HydrophobicContact CB-CG 3.9Å; D29-R32 WeakPolarHBondContact O-CB 3.27Å; D29-R32 PolarHBondContact O-N 3Å; D29-R32 VanDerWaalsContact O-N 3.09Å; D29-R32 IonicContact OD2-CZ 3Å; D29-R32 IonicContact OD2-NE 3.95Å; D29-R32 PolarHBondContact OD2-NE 3.33Å; D29-R32 VanDerWaalsContact OD2-NE 3.09Å; D29-V33 PolarHBondContact O-N 3.46Å; D29-V33 VanDerWaalsContact O-N 3.17Å; D29-R38 IonicContact OD1-NH2 3.48Å; D29-R38 IonicContact OD2-CZ 3.88Å; D29-R38 IonicContact OD2-NH2 3.33Å; D29-R38 PolarHBondContact OD2-NH2 3.48Å
30P84.1Confident72.5Confident0 Ų079.7 Ų79.70%044%0.439CS..Hα-helixtrans-66.7-25.8-173.529.7-36.2000112.6F28 R32 V33 L34 A76 I79 L80 Y89F28-P30 HydrophobicContact CE1-CB 4.22Å; F28-P30 WeakPolarHBondContact O-CD 3.36Å; P30-R32 VanDerWaalsContact C-N 3.32Å; P30-V33 PolarHBondContact O-N 2.85Å; P30-L34 PolarHBondContact O-N 2.87Å; P30-A76 HydrophobicContact CB-CB 3.65Å; P30-I79 HydrophobicContact CG-CD1 4.45Å; P30-I79 HydrophobicContact CG-CG2 4.24Å; P30-L80 HydrophobicContact CB-CD1 3.93Å; P30-L80 HydrophobicContact CB-CG 4.07Å; P30-L80 HydrophobicContact CG-CD1 4.21Å; P30-L80 HydrophobicContact CG-CD2 4.16Å; P30-L80 HydrophobicContact CG-CG 4.14Å; P30-Y89 WeakPolarHBondContact CD-OH 3.39Å; P30-Y89 HydrophobicContact CG-CD1 4.19Å; P30-Y89 HydrophobicContact CG-CE1 3.73Å; P30-Y89 HydrophobicContact CG-CE2 4.25Å
31Y88.3Confident73.7Confident5 Ų577.2 Ų77.22%0.0243%0.431CS..Hα-helixtrans-66.1-38.2175.3-65.7-80.5000111.1D29 G35 V36 R38 L80 R86 Y89 D90D29-Y31 PolarHBondContact O-N 3.06Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.23Å; D29-Y31 PolarHBondContact OD1-N 2.84Å; Y31-G35 PolarHBondContact O-N 2.95Å; Y31-V36 HydrophobicContact CD1-CG2 4.19Å; Y31-V36 PolarHBondContact O-N 3.1Å; Y31-R38 HydrophobicContact CD1-CB 4.41Å; Y31-R38 HydrophobicContact CD1-CG 4.06Å; Y31-R38 HydrophobicContact CD2-CG 3.7Å; Y31-R38 HydrophobicContact CE1-CB 4.26Å; Y31-R38 HydrophobicContact CE1-CG 4.24Å; Y31-R38 HydrophobicContact CE2-CB 4.47Å; Y31-R38 HydrophobicContact CE2-CG 3.85Å; Y31-R38 HydrophobicContact CG-CG 3.77Å; Y31-L80 HydrophobicContact CD1-CD1 3.69Å; Y31-L80 HydrophobicContact CD1-CD2 4.05Å; Y31-L80 HydrophobicContact CD2-CD1 4.49Å; Y31-L80 HydrophobicContact CD2-CD2 4.19Å; Y31-L80 HydrophobicContact CE1-CD1 3.96Å; Y31-L80 HydrophobicContact CE1-CD2 3.52Å; Y31-L80 HydrophobicContact CE1-CG 4.38Å; Y31-L80 HydrophobicContact CE2-CD2 3.72Å; Y31-L80 HydrophobicContact CG-CD1 3.99Å; Y31-L80 HydrophobicContact CG-CD2 4.37Å; Y31-R86 WeakPolarHBondContact OH-CG 3.4Å; Y31-R86 PolarHBondContact OH-NE 3.33Å; Y31-R86 VanDerWaalsContact OH-NE 3.08Å; Y31-Y89 HydrophobicContact CE2-CD1 4.37Å; Y31-Y89 HydrophobicContact CE2-CE1 4.39Å; Y31-D90 WeakPolarHBondContact CE2-OD1 3.43Å; Y31-D90 VanDerWaalsContact OH-CG 3.22Å; Y31-D90 PolarHBondContact OH-OD1 2.75Å; Y31-D90 PolarHBondContact OH-OD2 3.25Å
32R85.6Confident75Confident195 Ų19574 Ų7474%0.73642%0.416SS*.Hα-helixtrans-69.5-40.6174.6-61.1-178.2-165.9-160-4.2111.7D29 P30 L34 G35D29-R32 HydrophobicContact CB-CB 4.26Å; D29-R32 HydrophobicContact CB-CG 3.9Å; D29-R32 WeakPolarHBondContact O-CB 3.27Å; D29-R32 PolarHBondContact O-N 3Å; D29-R32 VanDerWaalsContact O-N 3.09Å; D29-R32 IonicContact OD2-CZ 3Å; D29-R32 IonicContact OD2-NE 3.95Å; D29-R32 PolarHBondContact OD2-NE 3.33Å; D29-R32 VanDerWaalsContact OD2-NE 3.09Å; P30-R32 VanDerWaalsContact C-N 3.32Å; R32-L34 VanDerWaalsContact C-N 3.35Å; R32-L34 PolarHBondContact O-N 2.74Å; R32-G35 PolarHBondContact O-N 2.93Å
33V86.5Confident76Confident38 Ų3871.7 Ų71.723%0.2341%0.414CS..Hα-helixtrans-64.1-37.6179.9175.20000112.1F28 D29 P30 Q72 I73 A76F28-V33 HydrophobicContact CD2-CG2 4.43Å; F28-V33 HydrophobicContact CE2-CG2 4Å; D29-V33 PolarHBondContact O-N 3.46Å; D29-V33 VanDerWaalsContact O-N 3.17Å; P30-V33 PolarHBondContact O-N 2.85Å; V33-Q72 HydrophobicContact CG1-CB 4.02Å; V33-Q72 WeakPolarHBondContact CG1-O 3.44Å; V33-I73 HydrophobicContact CG1-CG1 4.29Å; V33-A76 HydrophobicContact CB-CB 3.75Å; V33-A76 HydrophobicContact CG1-CB 3.64Å
34L86.2Confident77.4Confident4 Ų469.9 Ų69.92%0.02141%0.405CS..Hα-helixtrans-83.9-8.8171.3-68.9-172000114.3P30 R32 V36 I45 Y49 L52 I73 A76 Y77 L80P30-L34 PolarHBondContact O-N 2.87Å; R32-L34 VanDerWaalsContact C-N 3.35Å; R32-L34 PolarHBondContact O-N 2.74Å; L34-V36 HydrophobicContact CB-CG1 4.38Å; L34-V36 HydrophobicContact CB-CG2 3.91Å; L34-I45 HydrophobicContact CD1-CG2 3.91Å; L34-Y49 HydrophobicContact CD2-CD2 4.42Å; L34-L52 HydrophobicContact CD2-CD1 4.28Å; L34-L52 WeakPolarHBondContact O-CD1 3.28Å; L34-I73 HydrophobicContact CD2-CG2 4.04Å; L34-A76 HydrophobicContact CD2-CB 4.34Å; L34-A76 HydrophobicContact CG-CB 3.96Å; L34-Y77 HydrophobicContact CD1-CD2 4.37Å; L34-L80 HydrophobicContact CD1-CD1 4.18Å
35G87.2Confident79.3Confident68 Ų6865.9 Ų65.970%0.70138%0.377SS*.THydrogen-bonded Turntrans67.133.1-177.700000114.3Y31 R32Y31-G35 PolarHBondContact O-N 2.95Å; R32-G35 PolarHBondContact O-N 2.93Å
36V89.4Confident80.9Confident26 Ų2664.4 Ų64.416%0.15836%0.355CS..  trans-119.2155.1-175.2-64.30000112.3Y31 L34 A40 I45 A48Y31-V36 HydrophobicContact CD1-CG2 4.19Å; Y31-V36 PolarHBondContact O-N 3.1Å; L34-V36 HydrophobicContact CB-CG1 4.38Å; L34-V36 HydrophobicContact CB-CG2 3.91Å; V36-A40 HydrophobicContact CB-CB 3.99Å; V36-A40 HydrophobicContact CG2-CB 4.49Å; V36-I45 HydrophobicContact CG2-CG1 4.32Å; V36-A48 HydrophobicContact CG1-CB 3.46Å; V36-A48 VanDerWaalsContact CG1-CB 3.46Å
37S87.4Confident82.5Confident65 Ų6564.7 Ų64.746%0.45535%0.35SS..  trans-68.9152.5174.2-177.90000111.7T39 A40S37-T39 PolarHBondContact O-N 3.3Å; S37-T39 PolarHBondContact OG-N 3.17Å; S37-T39 VanDerWaalsContact OG-N 3.09Å; S37-T39 PolarHBondContact OG-OG1 3.23Å; S37-A40 WeakPolarHBondContact O-CB 3.25Å; S37-A40 PolarHBondContact O-N 2.88Å
38R83.8Confident83.8Confident139 Ų13958.7 Ų58.753%0.52532%0.321SS..THydrogen-bonded Turntrans-60.8-20.1165.6-61.5-160.7178.5-171.1-0.8113D29 Y31 R86D29-R38 IonicContact OD1-NH2 3.48Å; D29-R38 IonicContact OD2-CZ 3.88Å; D29-R38 IonicContact OD2-NH2 3.33Å; D29-R38 PolarHBondContact OD2-NH2 3.48Å; Y31-R38 HydrophobicContact CD1-CB 4.41Å; Y31-R38 HydrophobicContact CD1-CG 4.06Å; Y31-R38 HydrophobicContact CD2-CG 3.7Å; Y31-R38 HydrophobicContact CE1-CB 4.26Å; Y31-R38 HydrophobicContact CE1-CG 4.24Å; Y31-R38 HydrophobicContact CE2-CB 4.47Å; Y31-R38 HydrophobicContact CE2-CG 3.85Å; Y31-R38 HydrophobicContact CG-CG 3.77Å; R38-R86 PolarHBondContact O-NH2 3.13Å
39T83.4Confident84.3Confident126 Ų12657.6 Ų57.677%0.77332%0.316SS*.THydrogen-bonded Turntrans-92.47.3172.658.60000114.6S37S37-T39 PolarHBondContact O-N 3.3Å; S37-T39 PolarHBondContact OG-N 3.17Å; S37-T39 VanDerWaalsContact OG-N 3.09Å; S37-T39 PolarHBondContact OG-OG1 3.23Å
40A86.1Confident84Confident13 Ų1361.6 Ų61.611%0.10733%0.332CS..  trans-64.9146.8-178.900000112.4V36 S37 D44 I45 R86V36-A40 HydrophobicContact CB-CB 3.99Å; V36-A40 HydrophobicContact CG2-CB 4.49Å; S37-A40 WeakPolarHBondContact O-CB 3.25Å; S37-A40 PolarHBondContact O-N 2.88Å; A40-D44 HydrophobicContact CB-CB 4.23Å; A40-I45 HydrophobicContact CB-CG1 4.1Å; A40-R86 PolarHBondContact O-NH1 3.41Å; A40-R86 VanDerWaalsContact O-NH1 3.1Å; A40-R86 PolarHBondContact O-NH2 3.45Å
41S85.4Confident84Confident52 Ų5267.5 Ų67.536%0.36436%0.358SS..  trans-78160.6172.778.20000111.2A43 D44 I45S41-A43 PolarHBondContact O-N 2.94Å; S41-A43 PolarHBondContact OG-N 3.12Å; S41-D44 WeakPolarHBondContact CB-OD2 3.5Å; S41-D44 PolarHBondContact N-OD2 3.48Å; S41-D44 PolarHBondContact O-N 2.85Å; S41-D44 VanDerWaalsContact OG-CG 3.31Å; S41-D44 PolarHBondContact OG-N 3.04Å; S41-D44 PolarHBondContact OG-OD2 2.84Å; S41-I45 WeakPolarHBondContact O-CG1 3.36Å; S41-I45 PolarHBondContact O-N 3.49Å
42Q80.9Confident83.8Confident57 Ų5768.6 Ų68.627%0.26636%0.364SS..Hα-helixtrans-58.9-28.9173.4-71.1-62-10.700113K46 L80 S81 E83Q42-K46 VanDerWaalsContact O-CB 3.32Å; Q42-K46 WeakPolarHBondContact O-CB 3.21Å; Q42-K46 PolarHBondContact O-N 2.67Å; Q42-L80 PolarHBondContact NE2-O 3.09Å; Q42-L80 PolarHBondContact OE1-O 3.49Å; Q42-S81 PolarHBondContact OE1-O 3.46Å; Q42-E83 WeakPolarHBondContact CG-OE2 3.04Å; Q42-E83 PolarHBondContact NE2-OE2 3.02Å
43A76.4Confident83.3Confident71 Ų7160 Ų6059%0.58734%0.335SS*.Hα-helixtrans-67.5-39.8173.400000111.9S41 K47S41-A43 PolarHBondContact O-N 2.94Å; S41-A43 PolarHBondContact OG-N 3.12Å; A43-K47 WeakPolarHBondContact O-CB 3.31Å; A43-K47 PolarHBondContact O-N 2.9Å
44D80.9Confident82.7Confident77 Ų7767.3 Ų67.341%0.41236%0.358SS..Hα-helixtrans-71-42.5177.8-59.5-58.3000111.8A40 S41 K46 K47 A48A40-D44 HydrophobicContact CB-CB 4.23Å; S41-D44 WeakPolarHBondContact CB-OD2 3.5Å; S41-D44 PolarHBondContact N-OD2 3.48Å; S41-D44 PolarHBondContact O-N 2.85Å; S41-D44 VanDerWaalsContact OG-CG 3.31Å; S41-D44 PolarHBondContact OG-N 3.04Å; S41-D44 PolarHBondContact OG-OD2 2.84Å; D44-K46 PolarHBondContact O-N 2.96Å; D44-K47 PolarHBondContact O-N 3.11Å; D44-A48 WeakPolarHBondContact O-CB 3.43Å; D44-A48 PolarHBondContact O-N 3.02Å
45I86.1Confident82.3Confident0 Ų071.4 Ų71.40%038%0.377CS..Hα-helixtrans-56.9-49.7174.7-68.2162.9000110L34 V36 A40 S41 K47 A48 Y49 Y77 L80L34-I45 HydrophobicContact CD1-CG2 3.91Å; V36-I45 HydrophobicContact CG2-CG1 4.32Å; A40-I45 HydrophobicContact CB-CG1 4.1Å; S41-I45 WeakPolarHBondContact O-CG1 3.36Å; S41-I45 PolarHBondContact O-N 3.49Å; I45-K47 PolarHBondContact O-N 2.94Å; I45-A48 PolarHBondContact O-N 2.86Å; I45-Y49 WeakPolarHBondContact O-CB 3.5Å; I45-Y49 PolarHBondContact O-N 2.87Å; I45-Y77 HydrophobicContact CG2-CD2 3.97Å; I45-Y77 HydrophobicContact CG2-CE2 4.15Å; I45-L80 HydrophobicContact CD1-CB 4.36Å; I45-L80 HydrophobicContact CG2-CB 4.02Å
46K80.2Confident81.8Confident52 Ų5270.4 Ų70.423%0.22635%0.352CS..Hα-helixtrans-66.2-34.6177.4-171.5164.2-175163.40113.4Q42 D44 K50 Y77 F121Q42-K46 VanDerWaalsContact O-CB 3.32Å; Q42-K46 WeakPolarHBondContact O-CB 3.21Å; Q42-K46 PolarHBondContact O-N 2.67Å; D44-K46 PolarHBondContact O-N 2.96Å; K46-K50 VanDerWaalsContact O-CB 3.32Å; K46-K50 WeakPolarHBondContact O-CB 3.12Å; K46-K50 PolarHBondContact O-N 3.22Å; K46-Y77 HydrophobicContact CB-CE2 4.19Å; K46-Y77 HydrophobicContact CG-CE2 4.43Å; K46-F121 HydrophobicContact CD-CE1 3.91Å; K46-F121 HydrophobicContact CD-CE2 4.08Å; K46-F121 HydrophobicContact CD-CZ 3.62Å; K46-F121 VanDerWaalsContact NZ-CE1 3.26Å; K46-F121 VanDerWaalsContact NZ-CZ 3.32Å
47K81.3Confident81.2Confident154 Ų15471.9 Ų71.967%0.6736%0.357SS*.Hα-helixtrans-69.2-40.6176-176.3179.6179.6-176.40112.1A43 D44 I45 K51A43-K47 WeakPolarHBondContact O-CB 3.31Å; A43-K47 PolarHBondContact O-N 2.9Å; D44-K47 PolarHBondContact O-N 3.11Å; I45-K47 PolarHBondContact O-N 2.94Å; K47-K51 PolarHBondContact O-N 2.83Å; K47-K51 VanDerWaalsContact O-N 3.13Å
48A84.9Confident80.2Confident20 Ų2071.6 Ų71.617%0.16535%0.354CS..Hα-helixtrans-65.4-48.9174.800000111.3V36 D44 I45 K50 K51 L52V36-A48 HydrophobicContact CG1-CB 3.46Å; V36-A48 VanDerWaalsContact CG1-CB 3.46Å; D44-A48 WeakPolarHBondContact O-CB 3.43Å; D44-A48 PolarHBondContact O-N 3.02Å; I45-A48 PolarHBondContact O-N 2.86Å; A48-K50 PolarHBondContact O-N 2.99Å; A48-K51 WeakPolarHBondContact O-CB 3.34Å; A48-K51 PolarHBondContact O-N 3.02Å; A48-K51 VanDerWaalsContact O-N 3.13Å; A48-L52 WeakPolarHBondContact O-CG 3.35Å; A48-L52 PolarHBondContact O-N 2.83Å
49Y83.2Confident78.9Confident28 Ų2871.3 Ų71.311%0.1136%0.363CS..Hα-helixtrans-55.7-49.5173.8173.8-114.3000112.1L34 I45 K51 L52 A53 I73 Y77 F126L34-Y49 HydrophobicContact CD2-CD2 4.42Å; I45-Y49 WeakPolarHBondContact O-CB 3.5Å; I45-Y49 PolarHBondContact O-N 2.87Å; Y49-K51 PolarHBondContact O-N 2.89Å; Y49-L52 PolarHBondContact O-N 2.86Å; Y49-A53 HydrophobicContact CD2-CB 4.34Å; Y49-A53 HydrophobicContact CE2-CB 4.02Å; Y49-A53 VanDerWaalsContact O-CB 3.25Å; Y49-A53 WeakPolarHBondContact O-CB 3.4Å; Y49-A53 PolarHBondContact O-N 3.14Å; Y49-I73 HydrophobicContact CD2-CG2 3.72Å; Y49-I73 HydrophobicContact CE2-CG2 4.01Å; Y49-Y77 VanDerWaalsContact CB-CD2 3.47Å; Y49-Y77 AromaticContact CD1-CD1 3.79Å; Y49-Y77 HydrophobicContact CD1-CD1 3.79Å; Y49-Y77 AromaticContact CD1-CD2 3.81Å; Y49-Y77 HydrophobicContact CD1-CD2 3.81Å; Y49-Y77 AromaticContact CD1-CE1 3.89Å; Y49-Y77 HydrophobicContact CD1-CE1 3.89Å; Y49-Y77 AromaticContact CD1-CE2 3.9Å; Y49-Y77 HydrophobicContact CD1-CE2 3.9Å; Y49-Y77 AromaticContact CD1-CG 3.74Å; Y49-Y77 HydrophobicContact CD1-CG 3.74Å; Y49-Y77 AromaticContact CD1-CZ 3.95Å; Y49-Y77 HydrophobicContact CD2-CD1 4.29Å; Y49-Y77 HydrophobicContact CD2-CD2 4.21Å; Y49-Y77 AromaticContact CD2-CG 3.77Å; Y49-Y77 HydrophobicContact CD2-CG 3.77Å; Y49-Y77 AromaticContact CE1-CD1 3.79Å; Y49-Y77 HydrophobicContact CE1-CD1 3.79Å; Y49-Y77 AromaticContact CE1-CE1 3.93Å; Y49-Y77 HydrophobicContact CE1-CE1 3.93Å; Y49-Y77 HydrophobicContact CE1-CG 4.16Å; Y49-Y77 HydrophobicContact CE2-CD1 4.31Å; Y49-Y77 HydrophobicContact CE2-CG 4.2Å; Y49-Y77 HydrophobicContact CG-CD1 4.04Å; Y49-Y77 AromaticContact CG-CD2 3.57Å; Y49-Y77 HydrophobicContact CG-CD2 3.57Å; Y49-Y77 HydrophobicContact CG-CE2 4.09Å; Y49-Y77 AromaticContact CG-CG 3.53Å; Y49-Y77 HydrophobicContact CG-CG 3.53Å; Y49-F126 HydrophobicContact CE1-CE2 4.38Å; Y49-F126 AromaticContact CE1-CZ 3.85Å; Y49-F126 HydrophobicContact CE1-CZ 3.85Å
50K76.8Confident78.1Confident103 Ų10372.7 Ų72.745%0.44836%0.358SS..Hα-helixtrans-63.9-23.5178.8-171.8163.7-179.5160.20113.7K46 A48 F125K46-K50 VanDerWaalsContact O-CB 3.32Å; K46-K50 WeakPolarHBondContact O-CB 3.12Å; K46-K50 PolarHBondContact O-N 3.22Å; A48-K50 PolarHBondContact O-N 2.99Å; K50-F125 HydrophobicContact CD-CE1 4.13Å; K50-F125 HydrophobicContact CD-CZ 4.23Å; K50-F125 VanDerWaalsContact CE-CE2 3.5Å; K50-F125 VanDerWaalsContact CE-CZ 3.41Å; K50-F125 HydrophobicContact CG-CE1 4.21Å; K50-F125 HydrophobicContact CG-CZ 4.27Å; K50-F125 VanDerWaalsContact NZ-CD2 3.33Å
51K85Confident77.4Confident124 Ų12473.7 Ų73.754%0.53936%0.361SS..Hα-helixtrans-74-58.2168.6-172.5-160.1173.8-133.20110.5K47 A48 Y49 A53 R54 E55K47-K51 PolarHBondContact O-N 2.83Å; K47-K51 VanDerWaalsContact O-N 3.13Å; A48-K51 WeakPolarHBondContact O-CB 3.34Å; A48-K51 PolarHBondContact O-N 3.02Å; A48-K51 VanDerWaalsContact O-N 3.13Å; Y49-K51 PolarHBondContact O-N 2.89Å; K51-A53 PolarHBondContact O-N 3.36Å; K51-R54 WeakPolarHBondContact O-CB 3.45Å; K51-R54 PolarHBondContact O-N 2.88Å; K51-R54 VanDerWaalsContact O-N 3.08Å; K51-E55 WeakPolarHBondContact CE-OE2 3.35Å; K51-E55 IonicContact NZ-OE1 2.68Å; K51-E55 IonicContact NZ-OE2 2.77Å; K51-E55 PolarHBondContact NZ-OE2 3.46Å; K51-E55 PolarHBondContact O-N 3.46Å
52L82.8Confident76.8Confident28 Ų2880.7 Ų80.715%0.14739%0.385CS..Hα-helixtrans-63.9-41.8-172.4-70.1170.6000112.7L34 A48 Y49 R54 E55 W56 I73L34-L52 HydrophobicContact CD2-CD1 4.28Å; L34-L52 WeakPolarHBondContact O-CD1 3.28Å; A48-L52 WeakPolarHBondContact O-CG 3.35Å; A48-L52 PolarHBondContact O-N 2.83Å; Y49-L52 PolarHBondContact O-N 2.86Å; L52-R54 PolarHBondContact O-N 2.9Å; L52-E55 PolarHBondContact O-N 3.22Å; L52-W56 PolarHBondContact O-N 2.96Å; L52-I73 HydrophobicContact CB-CD1 3.96Å; L52-I73 HydrophobicContact CB-CG1 4.33Å; L52-I73 HydrophobicContact CB-CG2 4.02Å
53A74.4Confident76.6Confident15 Ų1582.1 Ų82.112%0.12440%0.395CS..Hα-helixtrans-65.2-17.6175.700000113.5Y49 K51 H57 F70Y49-A53 HydrophobicContact CD2-CB 4.34Å; Y49-A53 HydrophobicContact CE2-CB 4.02Å; Y49-A53 VanDerWaalsContact O-CB 3.25Å; Y49-A53 WeakPolarHBondContact O-CB 3.4Å; Y49-A53 PolarHBondContact O-N 3.14Å; K51-A53 PolarHBondContact O-N 3.36Å; A53-H57 WeakPolarHBondContact O-CB 3.27Å; A53-F70 HydrophobicContact CB-CE2 4Å
54R75.3Confident76.2Confident192 Ų19285.3 Ų85.373%0.72541%0.409SS*.Hα-helixtrans-89.7-22.9172-160.9-174.674.8169.33.5112.6K51 L52K51-R54 WeakPolarHBondContact O-CB 3.45Å; K51-R54 PolarHBondContact O-N 2.88Å; K51-R54 VanDerWaalsContact O-N 3.08Å; L52-R54 PolarHBondContact O-N 2.9Å
55E76.9Confident75.7Confident89 Ų8982.9 Ų82.942%0.41640%0.403SS..Hα-helixtrans-88.5-34.3-176.2-162.2170.814800111.4K51 L52K51-E55 WeakPolarHBondContact CE-OE2 3.35Å; K51-E55 IonicContact NZ-OE1 2.68Å; K51-E55 IonicContact NZ-OE2 2.77Å; K51-E55 PolarHBondContact NZ-OE2 3.46Å; K51-E55 PolarHBondContact O-N 3.46Å; L52-E55 PolarHBondContact O-N 3.22Å
56W76.9Confident74.9Confident48 Ų4883 Ų8318%0.18240%0.404CS..SBendtrans-109.318.5179.1-62.1100000113.9L52 N61 A66 K69 I73L52-W56 PolarHBondContact O-N 2.96Å; W56-N61 VanDerWaalsContact CZ3-ND2 3.28Å; W56-N61 WeakPolarHBondContact CZ3-ND2 3.48Å; W56-A66 HydrophobicContact CE3-CB 4.19Å; W56-K69 HydrophobicContact CD2-CB 4.22Å; W56-K69 HydrophobicContact CD2-CD 3.78Å; W56-K69 HydrophobicContact CE3-CB 4.32Å; W56-K69 HydrophobicContact CE3-CD 3.55Å; W56-K69 HydrophobicContact CG-CB 4.32Å; W56-K69 HydrophobicContact CH2-CD 3.83Å; W56-K69 HydrophobicContact CZ2-CD 3.99Å; W56-K69 HydrophobicContact CZ3-CD 3.58Å; W56-I73 HydrophobicContact CB-CD1 4.03Å; W56-I73 HydrophobicContact CG-CD1 3.93Å
57H76.3Confident74.2Confident56 Ų5686.9 Ų86.926%0.25942%0.423SS..  trans-67127.5178.1-162.8-76.1000111A53 D59 K60 N61A53-H57 WeakPolarHBondContact O-CB 3.27Å; H57-D59 IonicContact CE1-OD1 2.99Å; H57-D59 IonicContact CE1-OD2 3.77Å; H57-D59 PolarHBondContact CE1-OD2 2.86Å; H57-D59 VanDerWaalsContact CE1-OD2 3.3Å; H57-D59 PolarHBondContact ND1-N 2.82Å; H57-D59 IonicContact ND1-OD2 3.96Å; H57-D59 PolarHBondContact O-N 3.2Å; H57-K60 HydrophobicContact CB-CB 4.34Å; H57-K60 PolarHBondContact O-N 2.72Å; H57-N61 PolarHBondContact O-N 2.73Å
58P67.3Low73.7Confident59 Ų5984.4 Ų84.438%0.38342%0.417SS..THydrogen-bonded Turntrans-58.8-40.8-173.620.4-32.2000113.5K60 N61P58-K60 PolarHBondContact O-N 2.97Å; P58-N61 VanDerWaalsContact O-O 3.07Å
59D57.4Low73.4Confident134 Ų13487.7 Ų87.772%0.71743%0.428SS*.THydrogen-bonded Turntrans-61.9-17.7176.5-51.9-3.1000114.7H57H57-D59 IonicContact CE1-OD1 2.99Å; H57-D59 IonicContact CE1-OD2 3.77Å; H57-D59 PolarHBondContact CE1-OD2 2.86Å; H57-D59 VanDerWaalsContact CE1-OD2 3.3Å; H57-D59 PolarHBondContact ND1-N 2.82Å; H57-D59 IonicContact ND1-OD2 3.96Å; H57-D59 PolarHBondContact O-N 3.2Å
60K65.1Low72.9Confident155 Ų15588.9 Ų88.967%0.67443%0.433SS*.THydrogen-bonded Turntrans-117.6-31.2-171.2-65.6179-179.7168.20113.3H57 P58H57-K60 HydrophobicContact CB-CB 4.34Å; H57-K60 PolarHBondContact O-N 2.72Å; P58-K60 PolarHBondContact O-N 2.97Å
61N71.8Confident72.6Confident33 Ų3388.7 Ų88.718%0.17644%0.436CS..  trans-108.9119.2171.9-172.1-8.8000109.8W56 H57 P58 D63 A66W56-N61 VanDerWaalsContact CZ3-ND2 3.28Å; W56-N61 WeakPolarHBondContact CZ3-ND2 3.48Å; H57-N61 PolarHBondContact O-N 2.73Å; P58-N61 VanDerWaalsContact O-O 3.07Å; N61-D63 PolarHBondContact ND2-OD2 3.47Å; N61-D63 WeakPolarHBondContact OD1-CB 3.41Å; N61-D63 PolarHBondContact OD1-N 2.97Å; N61-D63 PolarHBondContact OD1-OD2 3.27Å; N61-A66 HydrophobicContact CB-CB 4.17Å
62K72.3Confident72.3Confident199 Ų19987.2 Ų87.287%0.86543%0.431SS*.  trans-917.5-179-58.7-172.6179.5-174.40113.8
63D76.9Confident72.1Confident87 Ų8786.3 Ų86.347%0.46543%0.426SS..  trans-60.6132.9173.5-72.9-29.7000110.5N61 G65 A66N61-D63 PolarHBondContact ND2-OD2 3.47Å; N61-D63 WeakPolarHBondContact OD1-CB 3.41Å; N61-D63 PolarHBondContact OD1-N 2.97Å; N61-D63 PolarHBondContact OD1-OD2 3.27Å; D63-G65 PolarHBondContact O-N 3.08Å; D63-A66 HydrophobicContact CB-CB 4.34Å; D63-A66 WeakPolarHBondContact O-CB 3.49Å; D63-A66 PolarHBondContact O-N 2.97Å
64P68.2Low72.2Confident138 Ų13887.3 Ų87.390%0.89643%0.433SS*.THydrogen-bonded Turntrans-68.40-178.128.7-36.3000114.6
65G70.4Confident72.2Confident27 Ų2782.1 Ų82.128%0.27842%0.415SS..THydrogen-bonded Turntrans-119.518.1171.400000113.5D63 K69D63-G65 PolarHBondContact O-N 3.08Å; G65-K69 WeakPolarHBondContact O-CG 3.2Å; G65-K69 PolarHBondContact O-N 2.99Å
66A69.8Low72.5Confident2 Ų277.9 Ų77.92%0.01740%0.395CS..Hα-helixtrans-70.5-40.9176.100000112W56 N61 D63 K69 F70W56-A66 HydrophobicContact CE3-CB 4.19Å; N61-A66 HydrophobicContact CB-CB 4.17Å; D63-A66 HydrophobicContact CB-CB 4.34Å; D63-A66 WeakPolarHBondContact O-CB 3.49Å; D63-A66 PolarHBondContact O-N 2.97Å; A66-K69 PolarHBondContact O-N 3.21Å; A66-F70 WeakPolarHBondContact O-CB 3.16Å; A66-F70 PolarHBondContact O-N 2.95Å
67E65.8Low72.8Confident134 Ų13477.6 Ų77.663%0.62640%0.395SS*.Hα-helixtrans-61.7-51.4179-172.5171.6-177.200112K69 F70 I71E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 3.01Å; E67-F70 WeakPolarHBondContact O-CB 3.49Å; E67-F70 PolarHBondContact O-N 3.2Å; E67-I71 HydrophobicContact CG-CD1 4.12Å; E67-I71 WeakPolarHBondContact O-CG1 3.46Å; E67-I71 PolarHBondContact O-N 3.17Å
68D71.4Confident73Confident102 Ų10280 Ų8055%0.54541%0.406SS..Hα-helixtrans-54.2-43.2175.6-71.1-38.5000112.5I71 Q72D68-I71 PolarHBondContact O-N 3.35Å; D68-Q72 VanDerWaalsContact O-CG 3.31Å; D68-Q72 WeakPolarHBondContact O-CG 3.48Å; D68-Q72 PolarHBondContact O-N 2.97Å
69K76.9Confident73.7Confident89 Ų8978.3 Ų78.339%0.38739%0.393SS..Hα-helixtrans-67.7-41.8177.2-74.7173.6179.3173.10111.7W56 G65 A66 E67 I71 Q72 I73W56-K69 HydrophobicContact CD2-CB 4.22Å; W56-K69 HydrophobicContact CD2-CD 3.78Å; W56-K69 HydrophobicContact CE3-CB 4.32Å; W56-K69 HydrophobicContact CE3-CD 3.55Å; W56-K69 HydrophobicContact CG-CB 4.32Å; W56-K69 HydrophobicContact CH2-CD 3.83Å; W56-K69 HydrophobicContact CZ2-CD 3.99Å; W56-K69 HydrophobicContact CZ3-CD 3.58Å; G65-K69 WeakPolarHBondContact O-CG 3.2Å; G65-K69 PolarHBondContact O-N 2.99Å; A66-K69 PolarHBondContact O-N 3.21Å; E67-K69 VanDerWaalsContact C-N 3.28Å; E67-K69 PolarHBondContact O-N 3.01Å; K69-I71 VanDerWaalsContact C-N 3.3Å; K69-I71 PolarHBondContact O-N 2.9Å; K69-Q72 PolarHBondContact O-N 2.97Å; K69-I73 HydrophobicContact CB-CD1 4.46Å; K69-I73 WeakPolarHBondContact O-CB 3.49Å; K69-I73 VanDerWaalsContact O-CD1 3.3Å; K69-I73 WeakPolarHBondContact O-CD1 3.36Å; K69-I73 WeakPolarHBondContact O-CG1 3.18Å; K69-I73 PolarHBondContact O-N 2.78Å
70F73.7Confident74.9Confident52 Ų5271.9 Ų71.923%0.22836%0.359CS..Hα-helixtrans-62-38.7177.5-171.2-90.1000111.8A53 A66 E67 S74A53-F70 HydrophobicContact CB-CE2 4Å; A66-F70 WeakPolarHBondContact O-CB 3.16Å; A66-F70 PolarHBondContact O-N 2.95Å; E67-F70 WeakPolarHBondContact O-CB 3.49Å; E67-F70 PolarHBondContact O-N 3.2Å; F70-S74 WeakPolarHBondContact O-CB 3.44Å; F70-S74 PolarHBondContact O-N 2.64Å; F70-S74 PolarHBondContact O-OG 3.17Å
71I71.1Confident75.7Confident99 Ų9966.4 Ų66.451%0.50834%0.34SS..Hα-helixtrans-63.4-47.8173.1-67.2164.5000110.5E67 D68 K69 S74 K75E67-I71 HydrophobicContact CG-CD1 4.12Å; E67-I71 WeakPolarHBondContact O-CG1 3.46Å; E67-I71 PolarHBondContact O-N 3.17Å; D68-I71 PolarHBondContact O-N 3.35Å; K69-I71 VanDerWaalsContact C-N 3.3Å; K69-I71 PolarHBondContact O-N 2.9Å; I71-S74 PolarHBondContact O-N 3.33Å; I71-K75 PolarHBondContact O-N 3.14Å
72Q77Confident76.1Confident94 Ų9467.8 Ų67.844%0.43935%0.347SS..Hα-helixtrans-61.3-46.3177.1-70.4171.126.400112.3F28 V33 D68 K69 S74 K75 A76F28-Q72 HydrophobicContact CE2-CB 4.44Å; V33-Q72 HydrophobicContact CG1-CB 4.02Å; V33-Q72 WeakPolarHBondContact CG1-O 3.44Å; D68-Q72 VanDerWaalsContact O-CG 3.31Å; D68-Q72 WeakPolarHBondContact O-CG 3.48Å; D68-Q72 PolarHBondContact O-N 2.97Å; K69-Q72 PolarHBondContact O-N 2.97Å; Q72-S74 VanDerWaalsContact C-N 3.25Å; Q72-S74 PolarHBondContact O-N 2.77Å; Q72-K75 PolarHBondContact O-N 2.92Å; Q72-A76 VanDerWaalsContact O-CB 3.32Å; Q72-A76 WeakPolarHBondContact O-CB 3.45Å; Q72-A76 PolarHBondContact O-N 2.93Å
73I80.3Confident76.3Confident8 Ų863.3 Ų63.34%0.04133%0.33CS..Hα-helixtrans-57.7-39.8176-71.8158000110.8V33 L34 Y49 L52 W56 K69 Y77V33-I73 HydrophobicContact CG1-CG1 4.29Å; L34-I73 HydrophobicContact CD2-CG2 4.04Å; Y49-I73 HydrophobicContact CD2-CG2 3.72Å; Y49-I73 HydrophobicContact CE2-CG2 4.01Å; L52-I73 HydrophobicContact CB-CD1 3.96Å; L52-I73 HydrophobicContact CB-CG1 4.33Å; L52-I73 HydrophobicContact CB-CG2 4.02Å; W56-I73 HydrophobicContact CB-CD1 4.03Å; W56-I73 HydrophobicContact CG-CD1 3.93Å; K69-I73 HydrophobicContact CB-CD1 4.46Å; K69-I73 WeakPolarHBondContact O-CB 3.49Å; K69-I73 VanDerWaalsContact O-CD1 3.3Å; K69-I73 WeakPolarHBondContact O-CD1 3.36Å; K69-I73 WeakPolarHBondContact O-CG1 3.18Å; K69-I73 PolarHBondContact O-N 2.78Å; I73-Y77 PolarHBondContact O-N 3.03Å; I73-Y77 VanDerWaalsContact O-N 3.08Å
74S75.9Confident76.3Confident37 Ų3765.5 Ų65.526%0.25934%0.337SS..Hα-helixtrans-68.3-50.1176.9-57.60000112.4F70 I71 Q72 A76 Y77 E78F70-S74 WeakPolarHBondContact O-CB 3.44Å; F70-S74 PolarHBondContact O-N 2.64Å; F70-S74 PolarHBondContact O-OG 3.17Å; I71-S74 PolarHBondContact O-N 3.33Å; Q72-S74 VanDerWaalsContact C-N 3.25Å; Q72-S74 PolarHBondContact O-N 2.77Å; S74-A76 VanDerWaalsContact C-N 3.26Å; S74-A76 PolarHBondContact O-N 3.19Å; S74-Y77 PolarHBondContact O-N 3.4Å; S74-E78 PolarHBondContact O-N 3.46Å
75K74.9Confident76.7Confident82 Ų8262.3 Ų62.336%0.35731%0.309SS..Hα-helixtrans-57.1-41.3175.5-173.9-171.6175.3-149.80110.9F28 I71 Q72 E78 I79 D94F28-K75 HydrophobicContact CD1-CD 4.19Å; F28-K75 HydrophobicContact CE1-CB 4.45Å; F28-K75 HydrophobicContact CE1-CD 3.57Å; F28-K75 HydrophobicContact CE1-CG 3.89Å; F28-K75 HydrophobicContact CE2-CD 4.34Å; F28-K75 HydrophobicContact CZ-CB 3.9Å; F28-K75 HydrophobicContact CZ-CD 3.67Å; F28-K75 HydrophobicContact CZ-CG 3.84Å; I71-K75 PolarHBondContact O-N 3.14Å; Q72-K75 PolarHBondContact O-N 2.92Å; K75-E78 PolarHBondContact O-N 3.43Å; K75-I79 PolarHBondContact O-N 2.96Å; K75-D94 IonicContact NZ-OD1 3.99Å; K75-D94 PolarHBondContact NZ-OD1 2.91Å; K75-D94 IonicContact NZ-OD2 3.16Å; K75-D94 PolarHBondContact NZ-OD2 2.8Å
76A83.4Confident77.3Confident0 Ų061.8 Ų61.80%030%0.299CS..Hα-helixtrans-66.4-37.7179.800000113.2F28 P30 V33 L34 Q72 S74 L80F28-A76 HydrophobicContact CZ-CB 4.17Å; P30-A76 HydrophobicContact CB-CB 3.65Å; V33-A76 HydrophobicContact CB-CB 3.75Å; V33-A76 HydrophobicContact CG1-CB 3.64Å; L34-A76 HydrophobicContact CD2-CB 4.34Å; L34-A76 HydrophobicContact CG-CB 3.96Å; Q72-A76 VanDerWaalsContact O-CB 3.32Å; Q72-A76 WeakPolarHBondContact O-CB 3.45Å; Q72-A76 PolarHBondContact O-N 2.93Å; S74-A76 VanDerWaalsContact C-N 3.26Å; S74-A76 PolarHBondContact O-N 3.19Å; A76-L80 WeakPolarHBondContact O-CB 3.46Å; A76-L80 WeakPolarHBondContact O-CG 3.39Å; A76-L80 PolarHBondContact O-N 2.93Å
77Y83Confident77.8Confident43 Ų4364.1 Ų64.117%0.16932%0.315CS..Hα-helixtrans-70.3-35.6173.6-178.2-104.4000112.7L34 I45 K46 Y49 I73 S74 I79 L80 S81L34-Y77 HydrophobicContact CD1-CD2 4.37Å; I45-Y77 HydrophobicContact CG2-CD2 3.97Å; I45-Y77 HydrophobicContact CG2-CE2 4.15Å; K46-Y77 HydrophobicContact CB-CE2 4.19Å; K46-Y77 HydrophobicContact CG-CE2 4.43Å; Y49-Y77 VanDerWaalsContact CB-CD2 3.47Å; Y49-Y77 AromaticContact CD1-CD1 3.79Å; Y49-Y77 HydrophobicContact CD1-CD1 3.79Å; Y49-Y77 AromaticContact CD1-CD2 3.81Å; Y49-Y77 HydrophobicContact CD1-CD2 3.81Å; Y49-Y77 AromaticContact CD1-CE1 3.89Å; Y49-Y77 HydrophobicContact CD1-CE1 3.89Å; Y49-Y77 AromaticContact CD1-CE2 3.9Å; Y49-Y77 HydrophobicContact CD1-CE2 3.9Å; Y49-Y77 AromaticContact CD1-CG 3.74Å; Y49-Y77 HydrophobicContact CD1-CG 3.74Å; Y49-Y77 AromaticContact CD1-CZ 3.95Å; Y49-Y77 HydrophobicContact CD2-CD1 4.29Å; Y49-Y77 HydrophobicContact CD2-CD2 4.21Å; Y49-Y77 AromaticContact CD2-CG 3.77Å; Y49-Y77 HydrophobicContact CD2-CG 3.77Å; Y49-Y77 AromaticContact CE1-CD1 3.79Å; Y49-Y77 HydrophobicContact CE1-CD1 3.79Å; Y49-Y77 AromaticContact CE1-CE1 3.93Å; Y49-Y77 HydrophobicContact CE1-CE1 3.93Å; Y49-Y77 HydrophobicContact CE1-CG 4.16Å; Y49-Y77 HydrophobicContact CE2-CD1 4.31Å; Y49-Y77 HydrophobicContact CE2-CG 4.2Å; Y49-Y77 HydrophobicContact CG-CD1 4.04Å; Y49-Y77 AromaticContact CG-CD2 3.57Å; Y49-Y77 HydrophobicContact CG-CD2 3.57Å; Y49-Y77 HydrophobicContact CG-CE2 4.09Å; Y49-Y77 AromaticContact CG-CG 3.53Å; Y49-Y77 HydrophobicContact CG-CG 3.53Å; I73-Y77 PolarHBondContact O-N 3.03Å; I73-Y77 VanDerWaalsContact O-N 3.08Å; S74-Y77 PolarHBondContact O-N 3.4Å; Y77-I79 PolarHBondContact O-N 3.3Å; Y77-L80 PolarHBondContact O-N 2.86Å; Y77-S81 WeakPolarHBondContact O-CB 3.34Å; Y77-S81 PolarHBondContact O-N 2.95Å; Y77-S81 PolarHBondContact O-OG 3.09Å
78E80.6Confident78.3Confident107 Ų10761.5 Ų61.550%0.531%0.305SS..Hα-helixtrans-61.3-43.9177.3-158.5-155.3136.500112.4S74 K75 K85S74-E78 PolarHBondContact O-N 3.46Å; K75-E78 PolarHBondContact O-N 3.43Å; E78-K85 IonicContact OE1-NZ 3.96Å; E78-K85 PolarHBondContact OE1-NZ 3.46Å
79I81.8Confident78.6Confident22 Ų2258.3 Ų58.311%0.11329%0.286CS..Hα-helixtrans-64.8-42.6177.4-63.9173.7000111.4F28 P30 K75 Y77 K85 R86 Y89F28-I79 HydrophobicContact CE1-CD1 3.95Å; P30-I79 HydrophobicContact CG-CD1 4.45Å; P30-I79 HydrophobicContact CG-CG2 4.24Å; K75-I79 PolarHBondContact O-N 2.96Å; Y77-I79 PolarHBondContact O-N 3.3Å; I79-K85 CarbonylContact O-C 3.48Å; I79-K85 WeakPolarHBondContact O-CB 3.32Å; I79-R86 PolarHBondContact O-N 3.42Å; I79-R86 VanDerWaalsContact O-N 3.15Å; I79-Y89 HydrophobicContact CD1-CD2 4.25Å; I79-Y89 HydrophobicContact CD1-CE2 4.43Å; I79-Y89 HydrophobicContact CG2-CD1 4.3Å; I79-Y89 HydrophobicContact CG2-CD2 3.8Å; I79-Y89 HydrophobicContact CG2-CG 3.61Å
80L83.6Confident78.8Confident0 Ų057.6 Ų57.60%029%0.286CS..Hα-helixtrans-91.2-19.5-168.9-64.1-179000114.8P30 Y31 L34 Q42 I45 A76 Y77 N82 R86P30-L80 HydrophobicContact CB-CD1 3.93Å; P30-L80 HydrophobicContact CB-CG 4.07Å; P30-L80 HydrophobicContact CG-CD1 4.21Å; P30-L80 HydrophobicContact CG-CD2 4.16Å; P30-L80 HydrophobicContact CG-CG 4.14Å; Y31-L80 HydrophobicContact CD1-CD1 3.69Å; Y31-L80 HydrophobicContact CD1-CD2 4.05Å; Y31-L80 HydrophobicContact CD2-CD1 4.49Å; Y31-L80 HydrophobicContact CD2-CD2 4.19Å; Y31-L80 HydrophobicContact CE1-CD1 3.96Å; Y31-L80 HydrophobicContact CE1-CD2 3.52Å; Y31-L80 HydrophobicContact CE1-CG 4.38Å; Y31-L80 HydrophobicContact CE2-CD2 3.72Å; Y31-L80 HydrophobicContact CG-CD1 3.99Å; Y31-L80 HydrophobicContact CG-CD2 4.37Å; L34-L80 HydrophobicContact CD1-CD1 4.18Å; Q42-L80 PolarHBondContact NE2-O 3.09Å; Q42-L80 PolarHBondContact OE1-O 3.49Å; I45-L80 HydrophobicContact CD1-CB 4.36Å; I45-L80 HydrophobicContact CG2-CB 4.02Å; A76-L80 WeakPolarHBondContact O-CB 3.46Å; A76-L80 WeakPolarHBondContact O-CG 3.39Å; A76-L80 PolarHBondContact O-N 2.93Å; Y77-L80 PolarHBondContact O-N 2.86Å; L80-N82 PolarHBondContact O-N 3.45Å; L80-R86 HydrophobicContact CD2-CG 4.01Å
81S80.1Confident78.8Confident39 Ų3960.7 Ų60.727%0.27330%0.301SS..SBendtrans-78.7-11.9-173.859.20000115.7Q42 Y77Q42-S81 PolarHBondContact OE1-O 3.46Å; Y77-S81 WeakPolarHBondContact O-CB 3.34Å; Y77-S81 PolarHBondContact O-N 2.95Å; Y77-S81 PolarHBondContact O-OG 3.09Å
82N80.7Confident78.8Confident62 Ų6263.2 Ų63.233%0.33231%0.306SS..SBendtrans-116.4125.6170.6178.2-10.7000108.7L80 E84 K85 R86L80-N82 PolarHBondContact O-N 3.45Å; N82-E84 PolarHBondContact O-N 2.03Å; N82-E84 WeakPolarHBondContact OD1-CB 3.03Å; N82-E84 PolarHBondContact OD1-N 2.76Å; N82-K85 HydrophobicContact CB-CB 4.25Å; N82-K85 HydrophobicContact CB-CG 4.38Å; N82-K85 PolarHBondContact O-N 2.84Å; N82-R86 VanDerWaalsContact O-CB 3.32Å; N82-R86 WeakPolarHBondContact O-CB 3.07Å; N82-R86 PolarHBondContact O-N 2.91Å
83E77.8Confident78.4Confident106 Ų10660.1 Ų60.150%0.49530%0.299SS..Hα-helixtrans-59.6-28.9-178.1-145.765.8-150.100112.9Q42 R86 S87Q42-E83 WeakPolarHBondContact CG-OE2 3.04Å; Q42-E83 PolarHBondContact NE2-OE2 3.02Å; E83-R86 IonicContact OE1-CZ 2.94Å; E83-R86 IonicContact OE1-NE 3.96Å; E83-R86 IonicContact OE1-NH1 3.74Å; E83-R86 PolarHBondContact OE1-NH1 3.08Å; E83-R86 VanDerWaalsContact OE1-NH1 3.16Å; E83-R86 IonicContact OE2-NH1 3.09Å; E83-S87 VanDerWaalsContact O-CB 3.27Å; E83-S87 WeakPolarHBondContact O-CB 3.39Å; E83-S87 PolarHBondContact O-N 2.9Å
84E75.9Confident77.1Confident132 Ų13264.5 Ų64.562%0.61732%0.323SS*.Hα-helixtrans-73.4-47.5175.5-173.4175.3-159.300111.9N82 R86 S87 N88N82-E84 PolarHBondContact O-N 2.03Å; N82-E84 WeakPolarHBondContact OD1-CB 3.03Å; N82-E84 PolarHBondContact OD1-N 2.76Å; E84-R86 VanDerWaalsContact C-N 3.3Å; E84-R86 PolarHBondContact O-N 2.94Å; E84-S87 PolarHBondContact O-N 3.17Å; E84-N88 WeakPolarHBondContact O-CB 3.27Å; E84-N88 VanDerWaalsContact O-CG 3.28Å; E84-N88 PolarHBondContact O-N 2.97Å; E84-N88 PolarHBondContact O-ND2 2.94Å
85K76.3Confident75.6Confident71 Ų7166.9 Ų66.931%0.30935%0.345SS..Hα-helixtrans-60.3-42.5173.3-76.2-154.8173.8-150.60111E78 I79 N82 N88 Y89 E97E78-K85 IonicContact OE1-NZ 3.96Å; E78-K85 PolarHBondContact OE1-NZ 3.46Å; I79-K85 CarbonylContact O-C 3.48Å; I79-K85 WeakPolarHBondContact O-CB 3.32Å; N82-K85 HydrophobicContact CB-CB 4.25Å; N82-K85 HydrophobicContact CB-CG 4.38Å; N82-K85 PolarHBondContact O-N 2.84Å; K85-N88 PolarHBondContact O-N 3.46Å; K85-Y89 WeakPolarHBondContact O-CB 3.35Å; K85-Y89 PolarHBondContact O-N 3.37Å; K85-E97 IonicContact NZ-OE1 3.87Å
86R83.9Confident74Confident16 Ų1664.8 Ų64.86%0.0635%0.347CS..Hα-helixtrans-60.7-50176.1-177.7-173.9-177.4174.99.7111.8Y31 R38 A40 I79 L80 N82 E83 E84 N88 Y89 D90Y31-R86 WeakPolarHBondContact OH-CG 3.4Å; Y31-R86 PolarHBondContact OH-NE 3.33Å; Y31-R86 VanDerWaalsContact OH-NE 3.08Å; R38-R86 PolarHBondContact O-NH2 3.13Å; A40-R86 PolarHBondContact O-NH1 3.41Å; A40-R86 VanDerWaalsContact O-NH1 3.1Å; A40-R86 PolarHBondContact O-NH2 3.45Å; I79-R86 PolarHBondContact O-N 3.42Å; I79-R86 VanDerWaalsContact O-N 3.15Å; L80-R86 HydrophobicContact CD2-CG 4.01Å; N82-R86 VanDerWaalsContact O-CB 3.32Å; N82-R86 WeakPolarHBondContact O-CB 3.07Å; N82-R86 PolarHBondContact O-N 2.91Å; E83-R86 IonicContact OE1-CZ 2.94Å; E83-R86 IonicContact OE1-NE 3.96Å; E83-R86 IonicContact OE1-NH1 3.74Å; E83-R86 PolarHBondContact OE1-NH1 3.08Å; E83-R86 VanDerWaalsContact OE1-NH1 3.16Å; E83-R86 IonicContact OE2-NH1 3.09Å; E84-R86 VanDerWaalsContact C-N 3.3Å; E84-R86 PolarHBondContact O-N 2.94Å; R86-N88 VanDerWaalsContact C-N 3.32Å; R86-N88 PolarHBondContact O-N 2.91Å; R86-Y89 PolarHBondContact O-N 3.05Å; R86-D90 WeakPolarHBondContact O-CB 3.37Å; R86-D90 PolarHBondContact O-N 3.17Å
87S78.9Confident71.9Confident51 Ų5172.7 Ų72.736%0.35738%0.383SS..Hα-helixtrans-64.3-38179.7-162.40000112E83 E84 D90 Q91E83-S87 VanDerWaalsContact O-CB 3.27Å; E83-S87 WeakPolarHBondContact O-CB 3.39Å; E83-S87 PolarHBondContact O-N 2.9Å; E84-S87 PolarHBondContact O-N 3.17Å; S87-D90 PolarHBondContact O-N 3.34Å; S87-Q91 WeakPolarHBondContact O-CB 3.45Å; S87-Q91 VanDerWaalsContact O-CG 3.24Å; S87-Q91 WeakPolarHBondContact O-CG 3.47Å; S87-Q91 PolarHBondContact O-N 3.19Å; S87-Q91 PolarHBondContact OG-NE2 2.91Å
88N77.4Confident69.8Low79 Ų7976.6 Ų76.642%0.42241%0.407SS..Hα-helixtrans-65.1-40.7173.6-71-26.2000111.9E84 K85 R86 Q91 Y92E84-N88 WeakPolarHBondContact O-CB 3.27Å; E84-N88 VanDerWaalsContact O-CG 3.28Å; E84-N88 PolarHBondContact O-N 2.97Å; E84-N88 PolarHBondContact O-ND2 2.94Å; K85-N88 PolarHBondContact O-N 3.46Å; R86-N88 VanDerWaalsContact C-N 3.32Å; R86-N88 PolarHBondContact O-N 2.91Å; N88-Q91 PolarHBondContact O-N 2.84Å; N88-Y92 WeakPolarHBondContact O-CB 3.42Å; N88-Y92 WeakPolarHBondContact O-CD2 3.33Å; N88-Y92 PolarHBondContact O-N 3.11Å
89Y77.5Confident67.6Low35 Ų3580.8 Ų80.814%0.13743%0.427CS..Hα-helixtrans-65.1-43.4173.6-178.8-88.9000112.3F28 P30 Y31 I79 K85 R86 Q91 G93 D94F28-Y89 PolarHBondContact O-OH 3.12Å; P30-Y89 WeakPolarHBondContact CD-OH 3.39Å; P30-Y89 HydrophobicContact CG-CD1 4.19Å; P30-Y89 HydrophobicContact CG-CE1 3.73Å; P30-Y89 HydrophobicContact CG-CE2 4.25Å; Y31-Y89 HydrophobicContact CE2-CD1 4.37Å; Y31-Y89 HydrophobicContact CE2-CE1 4.39Å; I79-Y89 HydrophobicContact CD1-CD2 4.25Å; I79-Y89 HydrophobicContact CD1-CE2 4.43Å; I79-Y89 HydrophobicContact CG2-CD1 4.3Å; I79-Y89 HydrophobicContact CG2-CD2 3.8Å; I79-Y89 HydrophobicContact CG2-CG 3.61Å; K85-Y89 WeakPolarHBondContact O-CB 3.35Å; K85-Y89 PolarHBondContact O-N 3.37Å; R86-Y89 PolarHBondContact O-N 3.05Å; Y89-Q91 VanDerWaalsContact C-N 3.26Å; Y89-Q91 PolarHBondContact O-N 2.97Å; Y89-G93 VanDerWaalsContact O-CA 3.29Å; Y89-G93 WeakPolarHBondContact O-CA 3.36Å; Y89-G93 PolarHBondContact O-N 3.43Å; Y89-D94 HydrophobicContact CE2-CB 4.23Å
90D81.1Confident65.5Low75 Ų7582.8 Ų82.840%0.40145%0.453SS..Hα-helixtrans-66.7-25.7178.3-72-27.2000112.9Y31 R86 S87Y31-D90 WeakPolarHBondContact CE2-OD1 3.43Å; Y31-D90 VanDerWaalsContact OH-CG 3.22Å; Y31-D90 PolarHBondContact OH-OD1 2.75Å; Y31-D90 PolarHBondContact OH-OD2 3.25Å; R86-D90 WeakPolarHBondContact O-CB 3.37Å; R86-D90 PolarHBondContact O-N 3.17Å; S87-D90 PolarHBondContact O-N 3.34Å
91Q73.9Confident63.2Low116 Ų11693.7 Ų93.754%0.54250%0.496SS..Hα-helixtrans-89.7-38.9177.1-72.8176.451.800114.1S87 N88 Y89S87-Q91 WeakPolarHBondContact O-CB 3.45Å; S87-Q91 VanDerWaalsContact O-CG 3.24Å; S87-Q91 WeakPolarHBondContact O-CG 3.47Å; S87-Q91 PolarHBondContact O-N 3.19Å; S87-Q91 PolarHBondContact OG-NE2 2.91Å; N88-Q91 PolarHBondContact O-N 2.84Å; Y89-Q91 VanDerWaalsContact C-N 3.26Å; Y89-Q91 PolarHBondContact O-N 2.97Å
92Y70.4Confident61Low152 Ų152100.9 Ų100.960%0.59653%0.525SS*.Hα-helixtrans-124.8-10-167.7-54.8-77.3000115.1N88N88-Y92 WeakPolarHBondContact O-CB 3.42Å; N88-Y92 WeakPolarHBondContact O-CD2 3.33Å; N88-Y92 PolarHBondContact O-N 3.11Å
93G68.8Low58.7Low30 Ų30108 Ų10831%0.30955%0.553SS.*G310 helixtrans67.9-170.9-177.400000114.9Y89 A95 G96Y89-G93 VanDerWaalsContact O-CA 3.29Å; Y89-G93 WeakPolarHBondContact O-CA 3.36Å; Y89-G93 PolarHBondContact O-N 3.43Å; G93-A95 PolarHBondContact O-N 2.82Å; G93-G96 PolarHBondContact O-N 2.87Å
94D53Low56.5Low99 Ų99111.8 Ų111.853%0.52957%0.571SS.*G310 helixtrans-66.46.7-177.2-146.246000113.5K75 Y89K75-D94 IonicContact NZ-OD1 3.99Å; K75-D94 PolarHBondContact NZ-OD1 2.91Å; K75-D94 IonicContact NZ-OD2 3.16Å; K75-D94 PolarHBondContact NZ-OD2 2.8Å; Y89-D94 HydrophobicContact CE2-CB 4.23Å
95A44.2Very low54.5Low88 Ų88114.8 Ų114.873%0.72759%0.585SS**G310 helixtrans-105-8.3178.600000114.4G93 E97G93-A95 PolarHBondContact O-N 2.82Å; A95-E97 PolarHBondContact O-N 3.06Å
96G40.9Very low52.4Low38 Ų38119.9 Ų119.939%0.39261%0.61SS.*  trans-76.8-16.6-165.600000117.8G93 N98G93-G96 PolarHBondContact O-N 2.87Å; G96-N98 PolarHBondContact O-N 2.73Å
97E40.2Very low50Low165 Ų165128.2 Ų128.277%0.77165%0.649SS**THydrogen-bonded Turntrans-74.69.2-161.1-149.9169-142.700115.9K85 A95K85-E97 IonicContact NZ-OE1 3.87Å; A95-E97 PolarHBondContact O-N 3.06Å
98N38.2Very low47.6Very low125 Ų125134 Ų13467%0.66866%0.663SS**THydrogen-bonded Turntrans-111.53.8-170.9-80.3-90.9000116.5G96G96-N98 PolarHBondContact O-N 2.73Å
99Q34.1Very low45.4Very low195 Ų195139.2 Ų139.291%0.91169%0.685SS**SBendtrans-131.328.6-172.5-63.1-166.8-4.400115.9
100G37.9Very low43.3Very low64 Ų64148.5 Ų148.566%0.6672%0.722SS**  trans-100.2-16.8-17100000119.1
101Y36.3Very low40.8Very low229 Ų229153.1 Ų153.190%0.89873%0.733SS**  trans-130.560.1-159.6-75.7-76.1000116.5
102Q34Very low38.7Very low191 Ų191157.1 Ų157.189%0.89375%0.749SS**  trans-14183.3160.5-78.6-161-11.700113.8
103K31.7Very low36.9Very low210 Ų210161 Ų16191%0.91376%0.763SS**SBendtrans-170154.3142.4-106.9152.1-171.6171.30112.4
104Q31.4Very low35Very low186 Ų186166.3 Ų166.387%0.86978%0.779SS**  trans80.746.8172.1-151.7159.649.400118Q106Q104-Q106 PolarHBondContact O-N 2.52Å; Q104-Q106 VanDerWaalsContact O-N 3.16Å
105Q34.3Very low33.9Very low195 Ų195170.8 Ų170.891%0.91179%0.794SS**  trans-71.294.6151.4-80.8-178-23.900110.4
106Q33.1Very low33.3Very low179 Ų179174.8 Ų174.884%0.83680%0.798SS**SBendtrans174.2147.6144.1-96.8165.717.400108.9Q104Q104-Q106 PolarHBondContact O-N 2.52Å; Q104-Q106 VanDerWaalsContact O-N 3.16Å
107Q32.4Very low32.9Very low191 Ų191179.3 Ų179.389%0.89381%0.809SS**SBendtrans6373.9-177.7-55-177.7-4.700116.9
108R28.4Very low32.3Very low171 Ų171179 Ų17965%0.64581%0.812SS**  trans-155.127155.7-120.7176-145.9-155.99.1118.1Y110 R111R108-Y110 PolarHBondContact O-N 3.32Å; R108-R111 HydrophobicContact CG-CB 3.9Å; R108-R111 PolarHBondContact O-N 3.3Å
109E30.7Very low32Very low190 Ų190180.6 Ų180.689%0.88881%0.814SS**THydrogen-bonded Turntrans-61.1-9.9-177.6-155.8162.6-158.200115.2
110Y34.2Very low32Very low229 Ų229181.8 Ų181.890%0.89881%0.811SS**THydrogen-bonded Turntrans-120.526.5178.6-80.6-85.6000114.5R108R108-Y110 PolarHBondContact O-N 3.32Å
111R28Very low31.6Very low173 Ų173185.4 Ų185.465%0.65381%0.809SS**  trans-132.212.1179.9-136.3177.9-168.3165.75.3118R108 R113R108-R111 HydrophobicContact CG-CB 3.9Å; R108-R111 PolarHBondContact O-N 3.3Å; R111-R113 VanDerWaalsContact C-N 3.34Å
112F29.8Very low31.4Very low199 Ų199180.2 Ų180.287%0.87380%0.797SS**THydrogen-bonded Turntrans-87.27.6174.3-92-81.4000115.1
113R33.8Very low31.2Very low233 Ų233179.1 Ų179.188%0.87979%0.792SS**THydrogen-bonded Turntrans-97.1-0.7-175.5-115.3179.4-173.5160.74.2116.8R111R111-R113 VanDerWaalsContact C-N 3.34Å
114H29.1Very low31.6Very low142 Ų142173.5 Ų173.566%0.65778%0.779SS**SBendtrans-135.128.1-171-76-74.2000114.7E117H114-E117 IonicContact CE1-OE2 3.94Å; H114-E117 IonicContact CG-OE2 2.74Å; H114-E117 IonicContact ND1-OE2 3.34Å; H114-E117 PolarHBondContact ND1-OE2 2.67Å
115F28.7Very low31.8Very low193 Ų193169.7 Ų169.785%0.84676%0.76SS**SBendtrans-98.84.2174-133.8-91000114.1
116H32.9Very low31.8Very low172 Ų172165.3 Ų165.380%0.79674%0.738SS**SBendtrans-1113.3-172.5-131.9-75.9000114.9
117E31.5Very low31.6Very low134 Ų134163.3 Ų163.363%0.62673%0.728SS**SBendtrans-91.6-12.8-174.3-69.5179.5110.200114.7H114H114-E117 IonicContact CE1-OE2 3.94Å; H114-E117 IonicContact CG-OE2 2.74Å; H114-E117 IonicContact ND1-OE2 3.34Å; H114-E117 PolarHBondContact ND1-OE2 2.67Å
118N27Very low31.6Very low158 Ų158161 Ų16185%0.84572%0.716SS**SBendtrans-94.2-1.3-174.1-82.717.4000115.6Y120N118-Y120 PolarHBondContact O-N 3.01Å
119F32.5Very low32Very low158 Ų158156.5 Ų156.569%0.69371%0.708SS**  trans-89.870.1177.3-86.5-76.4000112.5F121F119-F121 PolarHBondContact O-N 2.83Å
120Y34Very low32Very low220 Ų220152.6 Ų152.686%0.86369%0.688SS**  trans-78.586.1-179.6-148.9-82.2000112.1N118N118-Y120 PolarHBondContact O-N 3.01Å
121F29.3Very low32Very low140 Ų140147.1 Ų147.161%0.61468%0.675SS**  trans-140.2114.9172.4-89.9-60.9000113.6K46 F119 E123K46-F121 HydrophobicContact CD-CE1 3.91Å; K46-F121 HydrophobicContact CD-CE2 4.08Å; K46-F121 HydrophobicContact CD-CZ 3.62Å; K46-F121 VanDerWaalsContact NZ-CE1 3.26Å; K46-F121 VanDerWaalsContact NZ-CZ 3.32Å; F119-F121 PolarHBondContact O-N 2.83Å; F121-E123 PolarHBondContact O-N 2.93Å
122D32Very low32.6Very low120 Ų120143.9 Ų143.964%0.64268%0.679SS**  trans3.5102.4155.5-170.4-8.1000116.3S124D122-S124 VanDerWaalsContact CG-OG 3.26Å; D122-S124 PolarHBondContact O-N 2.76Å; D122-S124 VanDerWaalsContact OD1-CB 3.27Å; D122-S124 WeakPolarHBondContact OD1-CB 3.22Å; D122-S124 PolarHBondContact OD1-N 2.72Å; D122-S124 PolarHBondContact OD1-OG 3.3Å; D122-S124 PolarHBondContact OD2-OG 3.47Å
123E31Very low33Very low169 Ų169142.9 Ų142.979%0.7968%0.677SS**THydrogen-bonded Turntrans-57.3-14.5-177.9-67.4-115.3120.100114.8F121 F125F121-E123 PolarHBondContact O-N 2.93Å; E123-F125 PolarHBondContact O-N 3.13Å
124S39.3Very low33.4Very low91 Ų91139.9 Ų139.964%0.63667%0.665SS**THydrogen-bonded Turntrans-78.6-6.5-164.466.20000116.4D122D122-S124 VanDerWaalsContact CG-OG 3.26Å; D122-S124 PolarHBondContact O-N 2.76Å; D122-S124 VanDerWaalsContact OD1-CB 3.27Å; D122-S124 WeakPolarHBondContact OD1-CB 3.22Å; D122-S124 PolarHBondContact OD1-N 2.72Å; D122-S124 PolarHBondContact OD1-OG 3.3Å; D122-S124 PolarHBondContact OD2-OG 3.47Å
125F35.8Very low34.3Very low106 Ų106138.4 Ų138.447%0.46565%0.654SS.*SBendtrans-121.7-15.6-164.9-152.6-99.9000117.4K50 E123K50-F125 HydrophobicContact CD-CE1 4.13Å; K50-F125 HydrophobicContact CD-CZ 4.23Å; K50-F125 VanDerWaalsContact CE-CE2 3.5Å; K50-F125 VanDerWaalsContact CE-CZ 3.41Å; K50-F125 HydrophobicContact CG-CE1 4.21Å; K50-F125 HydrophobicContact CG-CZ 4.27Å; K50-F125 VanDerWaalsContact NZ-CD2 3.33Å; E123-F125 PolarHBondContact O-N 3.13Å
126F34.5Very low35.3Very low104 Ų104132.4 Ų132.446%0.45663%0.631SS.*  trans-143.164.6-177.2-71.3-57.6000113.6Y49 F128Y49-F126 HydrophobicContact CE1-CE2 4.38Å; Y49-F126 AromaticContact CE1-CZ 3.85Å; Y49-F126 HydrophobicContact CE1-CZ 3.85Å; F126-F128 VanDerWaalsContact C-N 3.34Å; F126-F128 HydrophobicContact CD1-CD2 4.19Å; F126-F128 AromaticContact CD1-CE2 3.8Å; F126-F128 HydrophobicContact CD1-CE2 3.8Å; F126-F128 HydrophobicContact CE1-CE2 4.35Å; F126-F128 PolarHBondContact O-N 3.17Å; F126-F128 VanDerWaalsContact O-N 3.16Å
127H29.3Very low36.4Very low137 Ų137128.7 Ų128.763%0.63462%0.624SS**  trans-85.873.4170.3-127.582.3000110.8R134H127-R134 PolarHBondContact NE2-NH1 3.49Å
128F32Very low37.7Very low143 Ų143125.6 Ų125.663%0.62761%0.611SS**  trans-92.9115.1171.6-78.8-65000110.1F126 F130F126-F128 VanDerWaalsContact C-N 3.34Å; F126-F128 HydrophobicContact CD1-CD2 4.19Å; F126-F128 AromaticContact CD1-CE2 3.8Å; F126-F128 HydrophobicContact CD1-CE2 3.8Å; F126-F128 HydrophobicContact CE1-CE2 4.35Å; F126-F128 PolarHBondContact O-N 3.17Å; F126-F128 VanDerWaalsContact O-N 3.16Å; F128-F130 HydrophobicContact CB-CD2 4.29Å; F128-F130 PolarHBondContact O-N 3.01Å
129P35.6Very low39.5Very low75 Ų75119.7 Ų119.749%0.48758%0.58SS.*  trans-86.750.4-170.437.2-38.1000112.9I175P129-I175 HydrophobicContact CG-CD1 3.6Å; P129-I175 HydrophobicContact CG-CG1 3.88Å; P129-I175 HydrophobicContact CG-CG2 3.8Å
130F32Very low41.4Very low108 Ų108118 Ų11847%0.47457%0.574SS.*  trans-972.8179.5-74-66.1000114.4F128 S132 F172F128-F130 HydrophobicContact CB-CD2 4.29Å; F128-F130 PolarHBondContact O-N 3.01Å; F130-S132 PolarHBondContact O-N 3.4Å; F130-F172 HydrophobicContact CE2-CE1 4.14Å; F130-F172 AromaticContact CZ-CE1 3.81Å; F130-F172 HydrophobicContact CZ-CE1 3.81Å; F130-F172 HydrophobicContact CZ-CZ 4.28Å
131N32.8Very low43.7Very low115 Ų115113.3 Ų113.362%0.61556%0.558SS**  trans-77.8111.2171.1-111.438.6000110.3E133 R134N131-E133 PolarHBondContact O-N 2.78Å; N131-R134 PolarHBondContact O-N 3.09Å
132S41.3Very low46.4Very low105 Ų105107.7 Ų107.773%0.73453%0.533SS*.G310 helixtrans-60.1-22.6177.447.50000114F130 R134 R135F130-S132 PolarHBondContact O-N 3.4Å; S132-R134 PolarHBondContact O-N 2.96Å; S132-R135 PolarHBondContact O-N 3.16Å
133E38.8Very low49.2Very low177 Ų177105 Ų10583%0.82752%0.518SS*.G310 helixtrans-68.6-3.8172.2-60.8-170.9144.300114N131N131-E133 PolarHBondContact O-N 2.78Å
134R41.5Very low52.1Low171 Ų17197 Ų9765%0.64548%0.481SS*.G310 helixtrans-120.742.4173.9-147.6-173.2-156.3176.210.1113H127 N131 S132 D136H127-R134 PolarHBondContact NE2-NH1 3.49Å; N131-R134 PolarHBondContact O-N 3.09Å; S132-R134 PolarHBondContact O-N 2.96Å; R134-D136 PolarHBondContact O-N 3.13Å
135R48Very low54.6Low110 Ų11096.8 Ų96.842%0.41547%0.469SS..  trans-62.4110.7146.3-77.8-168.6175.9153.19.7107S132 S137 D169 Y202S132-R135 PolarHBondContact O-N 3.16Å; R135-S137 PolarHBondContact O-N 2.7Å; R135-D169 IonicContact CZ-OD1 3.59Å; R135-D169 IonicContact NH2-OD1 2.74Å; R135-D169 PolarHBondContact NH2-OD1 3.26Å; R135-D169 IonicContact NH2-OD2 3.63Å; R135-Y202 VanDerWaalsContact NH2-CE2 3.31Å; R135-Y202 PolarHBondContact NH2-OH 2.88Å
136D50.8Low57.2Low68 Ų6894 Ų9436%0.36446%0.457SS..  trans-63.1129.9175.2-66.5-62.6000108.7R134 I138 D139 K182R134-D136 PolarHBondContact O-N 3.13Å; D136-I138 PolarHBondContact O-N 3.08Å; D136-D139 PolarHBondContact O-N 3.13Å; D136-K182 IonicContact OD2-NZ 2.98Å; D136-K182 PolarHBondContact OD2-NZ 3.32Å
137S55.8Low59.7Low93 Ų9392.5 Ų92.565%0.6546%0.46SS*.Hα-helixtrans-56.7-11.2-175.854.30000115.1R135 K141R135-S137 PolarHBondContact O-N 2.7Å; S137-K141 PolarHBondContact O-N 3.49Å
138I57.8Low62.6Low70 Ų7089.1 Ų89.136%0.35944%0.444SS..Hα-helixtrans-63.4-45.6170.3-60.3174.4000111.1D136 K141 Y142 K182D136-I138 PolarHBondContact O-N 3.08Å; I138-K141 WeakPolarHBondContact O-CB 3.27Å; I138-K141 PolarHBondContact O-N 2.88Å; I138-Y142 HydrophobicContact CG2-CD2 4.32Å; I138-Y142 HydrophobicContact CG2-CE2 3.75Å; I138-Y142 WeakPolarHBondContact O-CD2 3.3Å; I138-Y142 VanDerWaalsContact O-CE2 3.3Å; I138-Y142 WeakPolarHBondContact O-CE2 3.46Å; I138-K182 HydrophobicContact CD1-CD 4.45Å
139D64.4Low65.5Low34 Ų3482.5 Ų82.518%0.18242%0.415CS..Hα-helixtrans-75.4-31.6-175.9-9710.6000112.5D136 K141 Y142 L143 K165D136-D139 PolarHBondContact O-N 3.13Å; D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.33Å; D139-Y142 PolarHBondContact O-N 3.21Å; D139-L143 PolarHBondContact O-N 2.88Å; D139-K165 VanDerWaalsContact OD1-CE 3.29Å; D139-K165 WeakPolarHBondContact OD1-CE 3.4Å; D139-K165 IonicContact OD1-NZ 2.67Å; D139-K165 PolarHBondContact OD1-NZ 2.81Å; D139-K165 WeakPolarHBondContact OD2-CE 3.39Å; D139-K165 IonicContact OD2-NZ 3.78Å; D139-K165 PolarHBondContact OD2-NZ 2.6Å
140E72.8Confident68.2Low121 Ų12181.8 Ų81.857%0.56541%0.409SS*.Hα-helixtrans-65.5-35.6175.9-58.8-170.2145.200111.8Y142 L143E140-Y142 PolarHBondContact O-N 2.9Å; E140-L143 PolarHBondContact O-N 2.91Å
141K81.9Confident71Confident122 Ų12282 Ų8253%0.5342%0.415SS..Hα-helixtrans-58.4-33.3173.6177.5-169.6164.8-162.10112.8S137 I138 D139 E189S137-K141 PolarHBondContact O-N 3.49Å; I138-K141 WeakPolarHBondContact O-CB 3.27Å; I138-K141 PolarHBondContact O-N 2.88Å; D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.33Å; K141-E189 IonicContact NZ-OE1 2.62Å; K141-E189 PolarHBondContact NZ-OE1 3.01Å; K141-E189 IonicContact NZ-OE2 2.91Å; K141-E189 PolarHBondContact NZ-OE2 2.61Å
142Y87.6Confident73.9Confident22 Ų2282.1 Ų82.19%0.08641%0.412CS..THydrogen-bonded Turntrans-105.57.8-174.1-54.4-58.9000113.7I138 D139 E140 L144 V185 E189 I195 G196 V197I138-Y142 HydrophobicContact CG2-CD2 4.32Å; I138-Y142 HydrophobicContact CG2-CE2 3.75Å; I138-Y142 WeakPolarHBondContact O-CD2 3.3Å; I138-Y142 VanDerWaalsContact O-CE2 3.3Å; I138-Y142 WeakPolarHBondContact O-CE2 3.46Å; D139-Y142 PolarHBondContact O-N 3.21Å; E140-Y142 PolarHBondContact O-N 2.9Å; Y142-L144 PolarHBondContact O-N 2.95Å; Y142-V185 HydrophobicContact CE2-CG1 3.63Å; Y142-E189 PolarHBondContact OH-OE2 3.04Å; Y142-I195 HydrophobicContact CD1-CB 3.9Å; Y142-I195 HydrophobicContact CD1-CG2 3.89Å; Y142-I195 HydrophobicContact CD2-CG2 3.93Å; Y142-I195 HydrophobicContact CE1-CB 4.02Å; Y142-I195 HydrophobicContact CE1-CG2 4.18Å; Y142-I195 HydrophobicContact CE2-CG2 4.22Å; Y142-I195 HydrophobicContact CG-CB 4.32Å; Y142-I195 HydrophobicContact CG-CG2 3.78Å; Y142-G196 CarbonylContact O-C 3.46Å; Y142-V197 PolarHBondContact O-N 3.07Å
143L90.7Very high76.4Confident63 Ų6377.2 Ų77.233%0.3338%0.377SS..BIsolated β-bridgetrans-63.8121.2-177.9-169.370.9000110.6D139 E140 V197 H199D139-L143 PolarHBondContact O-N 2.88Å; E140-L143 PolarHBondContact O-N 2.91Å; L143-V197 WeakPolarHBondContact CA-O 3.41Å; L143-H199 HydrophobicContact CD1-CB 4.4Å
144L91.5Very high78.9Confident3 Ų370.6 Ų70.62%0.01635%0.349CS..PPolyproline II helixtrans-102.9121-178.9-63-176.2000111.1Y142 H148 V153 I164 V197 V198 L206Y142-L144 PolarHBondContact O-N 2.95Å; L144-H148 VanDerWaalsContact CD2-CE1 3.42Å; L144-H148 WeakPolarHBondContact CD2-CE1 3.16Å; L144-H148 VanDerWaalsContact CD2-ND1 3.31Å; L144-H148 WeakPolarHBondContact CD2-ND1 3.48Å; L144-V153 HydrophobicContact CD1-CG2 4.2Å; L144-V153 HydrophobicContact CD2-CG2 4Å; L144-I164 HydrophobicContact CD1-CD1 3.53Å; L144-I164 HydrophobicContact CD1-CG1 4.06Å; L144-V197 PolarHBondContact N-O 2.86Å; L144-V198 HydrophobicContact CB-CG2 4.07Å; L144-L206 HydrophobicContact CB-CD2 4.05Å; L144-L206 WeakPolarHBondContact O-CD2 3.5Å
145H90.8Very high81.4Confident85 Ų8565.6 Ų65.639%0.39434%0.339SS..PPolyproline II helixtrans-91.5153.6167-64.9-78.3000111.1S147 H148 Y149 E203H145-S147 PolarHBondContact O-N 2.85Å; H145-S147 VanDerWaalsContact O-N 3.14Å; H145-H148 PolarHBondContact O-N 3.43Å; H145-H148 VanDerWaalsContact O-N 3.13Å; H145-Y149 PolarHBondContact O-N 3.25Å; H145-E203 IonicContact CE1-OE1 2.71Å; H145-E203 IonicContact CG-OE1 3.46Å; H145-E203 IonicContact ND1-OE1 3.91Å; H145-E203 PolarHBondContact ND1-OE1 3.26Å
146F90.1Very high83.6Confident48 Ų4862.2 Ų62.221%0.21133%0.329CS..Hα-helixtrans-51-39.1179.8-175.8-93.6000114.1V150 E203 R205 L206 H209F146-V150 HydrophobicContact CD1-CG2 4.44Å; F146-V150 HydrophobicContact CE1-CG2 3.98Å; F146-V150 HydrophobicContact CE2-CG2 4.41Å; F146-V150 HydrophobicContact CZ-CG2 3.96Å; F146-V150 WeakPolarHBondContact O-CG2 2.99Å; F146-V150 PolarHBondContact O-N 2.96Å; F146-V150 VanDerWaalsContact O-N 3.16Å; F146-E203 PolarHBondContact N-OE2 3.38Å; F146-R205 HydrophobicContact CD2-CG 3.84Å; F146-R205 HydrophobicContact CE2-CG 4.17Å; F146-R205 HydrophobicContact CG-CG 4.17Å; F146-L206 HydrophobicContact CB-CB 4.27Å; F146-L206 HydrophobicContact CD2-CB 4.27Å; F146-L206 HydrophobicContact CD2-CD1 4.19Å; F146-H209 HydrophobicContact CE2-CB 4.01Å; F146-H209 AromaticContact CE2-CD2 3.79Å; F146-H209 AromaticContact CE2-CG 3.88Å
147S88.3Confident85.7Confident73 Ų7359 Ų5951%0.5131%0.312SS..Hα-helixtrans-67.2-47178.150.70000113H145 Y149 V150 N151H145-S147 PolarHBondContact O-N 2.85Å; H145-S147 VanDerWaalsContact O-N 3.14Å; S147-Y149 VanDerWaalsContact C-N 3.31Å; S147-Y149 PolarHBondContact O-N 2.94Å; S147-V150 PolarHBondContact O-N 3.26Å; S147-N151 WeakPolarHBondContact O-CB 3.49Å; S147-N151 VanDerWaalsContact O-CG 3.31Å; S147-N151 PolarHBondContact O-N 3.03Å; S147-N151 PolarHBondContact O-ND2 3.31Å
148H90.8Very high87.4Confident66 Ų6659.1 Ų59.131%0.30630%0.301SS..Hα-helixtrans-62.6-38.8176.6177.6-149.8000111.1L144 H145 E152 V153L144-H148 VanDerWaalsContact CD2-CE1 3.42Å; L144-H148 WeakPolarHBondContact CD2-CE1 3.16Å; L144-H148 VanDerWaalsContact CD2-ND1 3.31Å; L144-H148 WeakPolarHBondContact CD2-ND1 3.48Å; H145-H148 PolarHBondContact O-N 3.43Å; H145-H148 VanDerWaalsContact O-N 3.13Å; H148-E152 IonicContact CD2-OE1 3.29Å; H148-E152 PolarHBondContact O-N 3.07Å; H148-V153 PolarHBondContact O-N 3.18Å
149Y92.9Very high89Confident4 Ų461.2 Ų61.22%0.01631%0.307CS..Iπ-helixtrans-58.8-54.1174.3173.9-100.5000112.6H145 S147 V153 V154 L206 H209 L210 I221H145-Y149 PolarHBondContact O-N 3.25Å; S147-Y149 VanDerWaalsContact C-N 3.31Å; S147-Y149 PolarHBondContact O-N 2.94Å; Y149-V153 HydrophobicContact CD2-CB 4.02Å; Y149-V153 HydrophobicContact CD2-CG1 3.97Å; Y149-V153 HydrophobicContact CE2-CG1 4.19Å; Y149-V153 WeakPolarHBondContact O-CB 3.38Å; Y149-V153 PolarHBondContact O-N 2.96Å; Y149-V154 HydrophobicContact CD1-CG2 4.12Å; Y149-V154 HydrophobicContact CD2-CG2 4.42Å; Y149-V154 HydrophobicContact CE1-CG2 3.56Å; Y149-V154 HydrophobicContact CE2-CG2 3.91Å; Y149-V154 VanDerWaalsContact CZ-CG2 3.45Å; Y149-V154 PolarHBondContact O-N 3.1Å; Y149-L206 HydrophobicContact CD1-CD1 3.54Å; Y149-L206 HydrophobicContact CD2-CD1 4.09Å; Y149-L206 HydrophobicContact CE1-CD1 4.18Å; Y149-L206 HydrophobicContact CG-CD1 3.5Å; Y149-L206 VanDerWaalsContact CG-CD1 3.5Å; Y149-L206 HydrophobicContact CG-CD2 4.48Å; Y149-H209 AromaticContact CE1-CD2 3.56Å; Y149-H209 AromaticContact CE1-NE2 3.61Å; Y149-L210 HydrophobicContact CE1-CD2 4.45Å; Y149-L210 HydrophobicContact CE2-CD2 3.75Å; Y149-I221 HydrophobicContact CE2-CD1 3.8Å
150V91.4Very high90.4Very high59 Ų5962.1 Ų62.136%0.35831%0.309SS..Iπ-helixtrans-67.8-39.3-176.6174.90000112.2F146 S147 P155F146-V150 HydrophobicContact CD1-CG2 4.44Å; F146-V150 HydrophobicContact CE1-CG2 3.98Å; F146-V150 HydrophobicContact CE2-CG2 4.41Å; F146-V150 HydrophobicContact CZ-CG2 3.96Å; F146-V150 WeakPolarHBondContact O-CG2 2.99Å; F146-V150 PolarHBondContact O-N 2.96Å; F146-V150 VanDerWaalsContact O-N 3.16Å; S147-V150 PolarHBondContact O-N 3.26Å; V150-P155 WeakPolarHBondContact O-CD 3.37Å
151N91.4Very high91.6Very high113 Ų11356.3 Ų56.360%0.60428%0.283SS*.Iπ-helixtrans-86.3-27.7-171.1-66.4-23000114.3S147 P155S147-N151 WeakPolarHBondContact O-CB 3.49Å; S147-N151 VanDerWaalsContact O-CG 3.31Å; S147-N151 PolarHBondContact O-N 3.03Å; S147-N151 PolarHBondContact O-ND2 3.31Å; N151-P155 WeakPolarHBondContact O-CG 3.48Å
152E92.6Very high92.2Very high118 Ų11851.5 Ų51.555%0.55126%0.261SS*.Iπ-helixtrans-125.9-49.4-172.6-60.5-177.4-12500112.7H148 D156H148-E152 IonicContact CD2-OE1 3.29Å; H148-E152 PolarHBondContact O-N 3.07Å; E152-D156 WeakPolarHBondContact O-CB 3.07Å; E152-D156 PolarHBondContact O-N 2.84Å
153V93.9Very high92.6Very high1 Ų150.5 Ų50.51%0.00626%0.257CS..Iπ-helixtrans-64.5-49.3-178.3178.40000111.4L144 H148 Y149 D156 S157 Y162L144-V153 HydrophobicContact CD1-CG2 4.2Å; L144-V153 HydrophobicContact CD2-CG2 4Å; H148-V153 PolarHBondContact O-N 3.18Å; Y149-V153 HydrophobicContact CD2-CB 4.02Å; Y149-V153 HydrophobicContact CD2-CG1 3.97Å; Y149-V153 HydrophobicContact CE2-CG1 4.19Å; Y149-V153 WeakPolarHBondContact O-CB 3.38Å; Y149-V153 PolarHBondContact O-N 2.96Å; V153-D156 PolarHBondContact O-N 3.07Å; V153-S157 WeakPolarHBondContact O-CB 3.22Å; V153-S157 PolarHBondContact O-N 3.47Å; V153-Y162 HydrophobicContact CB-CE1 4.26Å; V153-Y162 HydrophobicContact CG1-CD1 3.65Å; V153-Y162 HydrophobicContact CG1-CD2 4.12Å; V153-Y162 HydrophobicContact CG1-CE1 3.82Å; V153-Y162 HydrophobicContact CG1-CE2 4.28Å; V153-Y162 HydrophobicContact CG1-CG 3.8Å; V153-Y162 HydrophobicContact CG2-CD1 4.42Å; V153-Y162 HydrophobicContact CG2-CE1 3.92Å
154V92.6Very high92.9Very high38 Ų3847.5 Ų47.523%0.2324%0.241CC..Hα-helixtrans-63.2-49.3-179.2171.20000111.9Y149 D156 S157 F158Y149-V154 HydrophobicContact CD1-CG2 4.12Å; Y149-V154 HydrophobicContact CD2-CG2 4.42Å; Y149-V154 HydrophobicContact CE1-CG2 3.56Å; Y149-V154 HydrophobicContact CE2-CG2 3.91Å; Y149-V154 VanDerWaalsContact CZ-CG2 3.45Å; Y149-V154 PolarHBondContact O-N 3.1Å; V154-D156 PolarHBondContact O-N 2.78Å; V154-S157 WeakPolarHBondContact O-CB 3.37Å; V154-S157 PolarHBondContact O-N 3.3Å; V154-S157 PolarHBondContact O-OG 3.38Å; V154-F158 WeakPolarHBondContact O-CD2 3.37Å
155P93.5Very high93Very high67 Ų6747.4 Ų47.444%0.43524%0.241SC..Hα-helixtrans-64-36.3176.9-27.338.3000114.8V150 N151V150-P155 WeakPolarHBondContact O-CD 3.37Å; N151-P155 WeakPolarHBondContact O-CG 3.48Å
156D94.3Very high93Very high39 Ų3943.3 Ų43.321%0.20922%0.222CC..Hα-helixtrans-81.8-15.8179.6-151.349.4000113.3E152 V153 V154 F158 K159 K160 Y162E152-D156 WeakPolarHBondContact O-CB 3.07Å; E152-D156 PolarHBondContact O-N 2.84Å; V153-D156 PolarHBondContact O-N 3.07Å; V154-D156 PolarHBondContact O-N 2.78Å; D156-F158 PolarHBondContact O-N 3.42Å; D156-F158 VanDerWaalsContact O-N 3.08Å; D156-K159 PolarHBondContact O-N 2.75Å; D156-K159 IonicContact OD1-NZ 2.76Å; D156-K159 PolarHBondContact OD1-NZ 3.36Å; D156-K160 PolarHBondContact O-N 3.45Å; D156-K160 VanDerWaalsContact O-N 3.08Å; D156-K160 WeakPolarHBondContact OD2-CE 3.33Å; D156-K160 IonicContact OD2-NZ 2.67Å; D156-K160 PolarHBondContact OD2-NZ 2.91Å; D156-Y162 HydrophobicContact CB-CE2 4.3Å
157S94.8Very high93.1Very high0 Ų041.7 Ų41.70%022%0.216CC..THydrogen-bonded Turntrans-60.7-15.8172.4780000114.5V153 V154 K159 K160 N223 G224V153-S157 WeakPolarHBondContact O-CB 3.22Å; V153-S157 PolarHBondContact O-N 3.47Å; V154-S157 WeakPolarHBondContact O-CB 3.37Å; V154-S157 PolarHBondContact O-N 3.3Å; V154-S157 PolarHBondContact O-OG 3.38Å; S157-K159 VanDerWaalsContact C-N 3.28Å; S157-K160 VanDerWaalsContact CA-O 3.27Å; S157-K160 WeakPolarHBondContact CA-O 3.26Å; S157-N223 PolarHBondContact O-N 2.81Å; S157-N223 PolarHBondContact OG-N 3.5Å; S157-G224 PolarHBondContact OG-N 2.92Å
158F91.9Very high93Very high96 Ų9639.7 Ų39.742%0.42120%0.202SC..THydrogen-bonded Turntrans-76-14.1171.7-70.9-94.4000113.1V154 D156 N223 F292 K295V154-F158 WeakPolarHBondContact O-CD2 3.37Å; D156-F158 PolarHBondContact O-N 3.42Å; D156-F158 VanDerWaalsContact O-N 3.08Å; F158-N223 HydrophobicContact CD1-CB 3.7Å; F158-N223 HydrophobicContact CE1-CB 3.62Å; F158-N223 HydrophobicContact CG-CB 4.36Å; F158-N223 VanDerWaalsContact CZ-C 3.47Å; F158-N223 HydrophobicContact CZ-CB 4.2Å; F158-N223 VanDerWaalsContact CZ-O 3.29Å; F158-N223 WeakPolarHBondContact CZ-O 3.2Å; F158-F292 WeakPolarHBondContact O-CZ 3.41Å; F158-K295 PolarHBondContact O-NZ 3.4Å
159K91.9Very high92.3Very high114 Ų11440.2 Ų40.250%0.49621%0.207SC..THydrogen-bonded Turntrans-115.9-30.7-179.2-51.5-173-149114.60113.7D156 S157 F292 A293D156-K159 PolarHBondContact O-N 2.75Å; D156-K159 IonicContact OD1-NZ 2.76Å; D156-K159 PolarHBondContact OD1-NZ 3.36Å; S157-K159 VanDerWaalsContact C-N 3.28Å; K159-F292 VanDerWaalsContact C-CD1 3.43Å; K159-F292 VanDerWaalsContact C-CE1 3.43Å; K159-F292 WeakPolarHBondContact O-CD1 3.41Å; K159-A293 WeakPolarHBondContact O-CA 3.49Å; K159-A293 WeakPolarHBondContact O-CB 3.39Å; K159-A293 PolarHBondContact O-N 2.86Å
160K93.8Very high91.4Very high52 Ų5250.7 Ų50.723%0.22625%0.247CC..SBendtrans-138.1140.4173.872.5-171.9-165.2-116.40110.1D156 S157 Y162D156-K160 PolarHBondContact O-N 3.45Å; D156-K160 VanDerWaalsContact O-N 3.08Å; D156-K160 WeakPolarHBondContact OD2-CE 3.33Å; D156-K160 IonicContact OD2-NZ 2.67Å; D156-K160 PolarHBondContact OD2-NZ 2.91Å; S157-K160 VanDerWaalsContact CA-O 3.27Å; S157-K160 WeakPolarHBondContact CA-O 3.26Å; K160-Y162 HydrophobicContact CD-CE2 4.32Å; K160-Y162 VanDerWaalsContact CE-CE2 3.46Å; K160-Y162 VanDerWaalsContact CE-CZ 3.46Å; K160-Y162 WeakPolarHBondContact CE-OH 3.44Å; K160-Y162 HydrophobicContact CG-CD2 4.24Å; K160-Y162 HydrophobicContact CG-CE2 3.88Å; K160-Y162 PolarHBondContact NZ-OH 2.93Å
161P96Very high90.8Very high0 Ų048.5 Ų48.50%023%0.234CC..  trans-64.2150.2170.229.7-34.8000109.8V193 G194 I221 V242 L245 L246 L289P161-V193 HydrophobicContact CG-CG1 4.41Å; P161-V193 HydrophobicContact CG-CG2 4.5Å; P161-V193 WeakPolarHBondContact O-CG1 3.31Å; P161-G194 PolarHBondContact O-N 3.32Å; P161-I221 WeakPolarHBondContact CA-O 3.44Å; P161-V242 HydrophobicContact CG-CG1 4.08Å; P161-L245 HydrophobicContact CB-CD1 4.15Å; P161-L246 HydrophobicContact CG-CD2 4.01Å; P161-L289 HydrophobicContact CG-CD2 3.47Å; P161-L289 VanDerWaalsContact CG-CD2 3.47Å
162Y96.3Very high90.2Very high21 Ų2149.7 Ų49.78%0.08223%0.234CC..EExtended strand (participates in β ladder)trans-111144169.5-85.7-106.6000110.6V153 D156 K160 G194 G220 I221V153-Y162 HydrophobicContact CB-CE1 4.26Å; V153-Y162 HydrophobicContact CG1-CD1 3.65Å; V153-Y162 HydrophobicContact CG1-CD2 4.12Å; V153-Y162 HydrophobicContact CG1-CE1 3.82Å; V153-Y162 HydrophobicContact CG1-CE2 4.28Å; V153-Y162 HydrophobicContact CG1-CG 3.8Å; V153-Y162 HydrophobicContact CG2-CD1 4.42Å; V153-Y162 HydrophobicContact CG2-CE1 3.92Å; D156-Y162 HydrophobicContact CB-CE2 4.3Å; K160-Y162 HydrophobicContact CD-CE2 4.32Å; K160-Y162 VanDerWaalsContact CE-CE2 3.46Å; K160-Y162 VanDerWaalsContact CE-CZ 3.46Å; K160-Y162 WeakPolarHBondContact CE-OH 3.44Å; K160-Y162 HydrophobicContact CG-CD2 4.24Å; K160-Y162 HydrophobicContact CG-CE2 3.88Å; K160-Y162 PolarHBondContact NZ-OH 2.93Å; Y162-G194 CarbonylContact C-O 3.59Å; Y162-G194 WeakPolarHBondContact CA-O 3.12Å; Y162-G220 CarbonylContact O-C 3.57Å; Y162-G220 VanDerWaalsContact O-CA 3.28Å; Y162-G220 WeakPolarHBondContact O-CA 3.49Å; Y162-I221 PolarHBondContact N-O 3.21Å; Y162-I221 PolarHBondContact O-N 3.43Å
163L96.1Very high89.7Confident0 Ų047.5 Ų47.50%023%0.232CC..EExtended strand (participates in β ladder)trans-118.9120.2171.4-173.670.6000108.5W181 L188 V193 G194 I195 G196 I218 F241 V242L163-W181 HydrophobicContact CD2-CH2 4.05Å; L163-W181 HydrophobicContact CD2-CZ3 3.78Å; L163-W181 HydrophobicContact CG-CH2 3.85Å; L163-W181 HydrophobicContact CG-CZ3 3.88Å; L163-L188 HydrophobicContact CD2-CD1 3.78Å; L163-V193 HydrophobicContact CB-CG1 4.36Å; L163-G194 PolarHBondContact N-O 2.91Å; L163-I195 HydrophobicContact CB-CD1 4.37Å; L163-I195 WeakPolarHBondContact O-CA 3.46Å; L163-G196 PolarHBondContact O-N 3.1Å; L163-I218 HydrophobicContact CD1-CG2 3.79Å; L163-I218 HydrophobicContact CG-CG2 4.44Å; L163-F241 HydrophobicContact CD1-CD1 3.85Å; L163-F241 HydrophobicContact CD1-CE1 3.78Å; L163-V242 HydrophobicContact CB-CG2 4.33Å; L163-V242 HydrophobicContact CD1-CG2 4.05Å; L163-V242 HydrophobicContact CD2-CG2 4.24Å; L163-V242 HydrophobicContact CG-CG2 4.44Å
164I95.3Very high89.3Confident0 Ų047.9 Ų47.90%023%0.234CC..EExtended strand (participates in β ladder)trans-119.7130.9-177.2-59-176.7000109.9L144 I166 G196 V198 I218 L219 I221L144-I164 HydrophobicContact CD1-CD1 3.53Å; L144-I164 HydrophobicContact CD1-CG1 4.06Å; I164-I166 HydrophobicContact CG2-CG1 4.14Å; I164-G196 VanDerWaalsContact CA-O 3.3Å; I164-G196 WeakPolarHBondContact CA-O 3.31Å; I164-V198 HydrophobicContact CG2-CG2 3.84Å; I164-I218 WeakPolarHBondContact O-CA 3.32Å; I164-L219 HydrophobicContact CB-CD1 3.82Å; I164-L219 HydrophobicContact CB-CG 4.17Å; I164-L219 HydrophobicContact CD1-CD1 4.16Å; I164-L219 HydrophobicContact CG1-CD1 4.23Å; I164-L219 PolarHBondContact N-O 2.71Å; I164-L219 PolarHBondContact O-N 3.32Å; I164-I221 HydrophobicContact CD1-CD1 3.32Å; I164-I221 HydrophobicContact CG1-CD1 4.1Å
165K93.6Very high88.7Confident1 Ų149.1 Ų49.10%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-95.6146.8161.869.6171177.2-174.80110.7D139 T167 E178 W181 G196 V197 V198 S217 I218D139-K165 VanDerWaalsContact OD1-CE 3.29Å; D139-K165 WeakPolarHBondContact OD1-CE 3.4Å; D139-K165 IonicContact OD1-NZ 2.67Å; D139-K165 PolarHBondContact OD1-NZ 2.81Å; D139-K165 WeakPolarHBondContact OD2-CE 3.39Å; D139-K165 IonicContact OD2-NZ 3.78Å; D139-K165 PolarHBondContact OD2-NZ 2.6Å; K165-T167 HydrophobicContact CD-CG2 3.81Å; K165-T167 HydrophobicContact CG-CG2 4.15Å; K165-E178 IonicContact NZ-OE1 3.89Å; K165-E178 PolarHBondContact NZ-OE1 2.95Å; K165-E178 IonicContact NZ-OE2 2.73Å; K165-E178 PolarHBondContact NZ-OE2 2.68Å; K165-W181 HydrophobicContact CB-CD2 4.18Å; K165-W181 HydrophobicContact CB-CE3 4.11Å; K165-W181 HydrophobicContact CB-CH2 3.75Å; K165-W181 HydrophobicContact CB-CZ2 3.81Å; K165-W181 HydrophobicContact CB-CZ3 3.9Å; K165-W181 HydrophobicContact CD-CD2 3.75Å; K165-W181 HydrophobicContact CD-CE3 4.47Å; K165-W181 HydrophobicContact CD-CG 3.86Å; K165-W181 HydrophobicContact CD-CZ2 4.08Å; K165-W181 VanDerWaalsContact CE-NE1 3.31Å; K165-W181 HydrophobicContact CG-CD2 4.13Å; K165-W181 HydrophobicContact CG-CH2 4.1Å; K165-W181 HydrophobicContact CG-CZ2 3.61Å; K165-W181 VanDerWaalsContact NZ-CD1 3.35Å; K165-G196 PolarHBondContact N-O 3.2Å; K165-G196 VanDerWaalsContact N-O 3.07Å; K165-V197 HydrophobicContact CD-CG2 4.35Å; K165-V197 VanDerWaalsContact CE-CG2 3.44Å; K165-V197 HydrophobicContact CG-CB 4.42Å; K165-V197 HydrophobicContact CG-CG1 4.2Å; K165-V197 HydrophobicContact CG-CG2 3.95Å; K165-V197 WeakPolarHBondContact O-CA 3.36Å; K165-V198 PolarHBondContact O-N 2.98Å; K165-S217 CarbonylContact C-O 3.48Å; K165-I218 HydrophobicContact CB-CG1 4.27Å
166I92.4Very high88.2Confident0 Ų053 Ų530%025%0.251CS..EExtended strand (participates in β ladder)trans-122.8117.2176.6-52.7-169.2000108.4I164 V198 A200 A207 L210 A212 T215 P216 S217 L219I164-I166 HydrophobicContact CG2-CG1 4.14Å; I166-V198 VanDerWaalsContact CA-O 3.28Å; I166-V198 WeakPolarHBondContact CA-O 3.37Å; I166-V198 HydrophobicContact CD1-CB 4.47Å; I166-V198 HydrophobicContact CG1-CB 4.11Å; I166-V198 HydrophobicContact CG2-CB 4.45Å; I166-A200 HydrophobicContact CG2-CB 4.14Å; I166-A207 HydrophobicContact CG2-CB 4.31Å; I166-L210 HydrophobicContact CD1-CB 4.18Å; I166-L210 HydrophobicContact CD1-CD1 3.85Å; I166-A212 HydrophobicContact CD1-CB 3.39Å; I166-A212 HydrophobicContact CG1-CB 4.46Å; I166-A212 HydrophobicContact CG2-CB 4.25Å; I166-T215 HydrophobicContact CG2-CG2 4.31Å; I166-P216 WeakPolarHBondContact O-CA 3.36Å; I166-S217 PolarHBondContact N-O 3.04Å; I166-S217 PolarHBondContact O-N 3Å; I166-S217 VanDerWaalsContact O-N 3.16Å; I166-L219 HydrophobicContact CD1-CD2 3.62Å; I166-L219 HydrophobicContact CG1-CD2 4.44Å
167T90.5Very high87.9Confident14 Ų1451.9 Ų51.99%0.08625%0.245CC..EExtended strand (participates in β ladder)trans-126.5169.1-168.457.70000111.9K165 C174 V198 A200K165-T167 HydrophobicContact CD-CG2 3.81Å; K165-T167 HydrophobicContact CG-CG2 4.15Å; T167-C174 HydrophobicContact CG2-CB 4.26Å; T167-V198 PolarHBondContact N-O 3.29Å; T167-A200 WeakPolarHBondContact O-CB 3.19Å; T167-A200 PolarHBondContact O-N 2.62Å
168S86.6Confident87.5Confident31 Ų3153.2 Ų53.222%0.21725%0.251CS..  trans-144.9143.8175.4178.50000109.1W170 C171 H199S168-W170 PolarHBondContact O-N 3.05Å; S168-W170 VanDerWaalsContact O-N 3.1Å; S168-W170 PolarHBondContact OG-N 3.3Å; S168-C171 WeakPolarHBondContact O-CB 3.47Å; S168-C171 PolarHBondContact O-N 3Å; S168-H199 VanDerWaalsContact C-NE2 3.34Å; S168-H199 VanDerWaalsContact CA-NE2 3.26Å; S168-H199 WeakPolarHBondContact CA-NE2 3.29Å
169D75.9Confident87.3Confident76 Ų7652.9 Ų52.941%0.40626%0.259SS..THydrogen-bonded Turntrans-57.3-24.7175.5-56.5-61000111.5R135 H199R135-D169 IonicContact CZ-OD1 3.59Å; R135-D169 IonicContact NH2-OD1 2.74Å; R135-D169 PolarHBondContact NH2-OD1 3.26Å; R135-D169 IonicContact NH2-OD2 3.63Å; D169-H199 VanDerWaalsContact CG-CE1 3.48Å; D169-H199 VanDerWaalsContact CG-NE2 3.32Å; D169-H199 PolarHBondContact N-NE2 3.44Å; D169-H199 IonicContact OD1-CE1 3.6Å; D169-H199 IonicContact OD1-NE2 2.67Å; D169-H199 PolarHBondContact OD1-NE2 2.95Å; D169-H199 IonicContact OD2-CE1 3.64Å; D169-H199 PolarHBondContact OD2-CE1 3.23Å; D169-H199 IonicContact OD2-NE2 2.68Å; D169-H199 PolarHBondContact OD2-NE2 2.94Å
170W74.8Confident87.2Confident224 Ų22449.4 Ų49.485%0.84825%0.247SC*.THydrogen-bonded Turntrans-103.153.4179.9-62.495.5000112.5S168S168-W170 PolarHBondContact O-N 3.05Å; S168-W170 VanDerWaalsContact O-N 3.1Å; S168-W170 PolarHBondContact OG-N 3.3Å
171C79.5Confident87.1Confident14 Ų1447 Ų4710%0.09524%0.236CC..  trans-141.594.1-171.5179.30000113.1S168 S173 C174S168-C171 WeakPolarHBondContact O-CB 3.47Å; S168-C171 PolarHBondContact O-N 3Å; C171-S173 VanDerWaalsContact C-N 3.33Å; C171-S173 PolarHBondContact O-N 3.44Å; C171-C174 HydrophobicContact CB-CB 3.63Å; C171-C174 WeakPolarHBondContact CB-SG 3.46Å; C171-C174 VanDerWaalsContact O-CB 3.29Å; C171-C174 WeakPolarHBondContact O-CB 3.39Å; C171-C174 PolarHBondContact O-N 3.03Å; C171-C174 WeakPolarHBondContact SG-CB 3.29Å; C171-C174 PolarHBondContact SG-N 3.37Å; C171-C174 CovalentContact SG-SG 2.04Å; C171-C174 PolarHBondContact SG-SG 2.79Å
172F77.9Confident86.8Confident138 Ų13849.3 Ų49.361%0.60525%0.246SC*.Hα-helixtrans-59.1-41.2178-64.1-72.6000113F130 C174 I175 H176F130-F172 HydrophobicContact CE2-CE1 4.14Å; F130-F172 AromaticContact CZ-CE1 3.81Å; F130-F172 HydrophobicContact CZ-CE1 3.81Å; F130-F172 HydrophobicContact CZ-CZ 4.28Å; F172-C174 PolarHBondContact O-N 2.99Å; F172-I175 HydrophobicContact CD1-CD1 4.34Å; F172-I175 WeakPolarHBondContact O-CB 3.42Å; F172-I175 PolarHBondContact O-N 2.98Å; F172-I175 VanDerWaalsContact O-N 3.1Å; F172-H176 PolarHBondContact O-CD2 2.89Å; F172-H176 VanDerWaalsContact O-CD2 3.26Å; F172-H176 PolarHBondContact O-N 2.95Å
173S81.8Confident86.5Confident71 Ų7152.9 Ų52.950%0.49726%0.264SS..Hα-helixtrans-63.2-24.9175.7-57.90000113.4C171 H176 I177C171-S173 VanDerWaalsContact C-N 3.33Å; C171-S173 PolarHBondContact O-N 3.44Å; S173-H176 PolarHBondContact O-N 3.4Å; S173-I177 PolarHBondContact O-N 3.25Å
174C84.9Confident86.3Confident9 Ų953 Ų536%0.06126%0.264CS..Hα-helixtrans-69.9-34.7175.1-60.50000111.3T167 C171 F172 H176 I177 E178T167-C174 HydrophobicContact CG2-CB 4.26Å; C171-C174 HydrophobicContact CB-CB 3.63Å; C171-C174 WeakPolarHBondContact CB-SG 3.46Å; C171-C174 VanDerWaalsContact O-CB 3.29Å; C171-C174 WeakPolarHBondContact O-CB 3.39Å; C171-C174 PolarHBondContact O-N 3.03Å; C171-C174 WeakPolarHBondContact SG-CB 3.29Å; C171-C174 PolarHBondContact SG-N 3.37Å; C171-C174 CovalentContact SG-SG 2.04Å; C171-C174 PolarHBondContact SG-SG 2.79Å; F172-C174 PolarHBondContact O-N 2.99Å; C174-H176 VanDerWaalsContact C-N 3.33Å; C174-H176 PolarHBondContact O-N 2.9Å; C174-I177 WeakPolarHBondContact O-CG1 3.44Å; C174-E178 PolarHBondContact O-N 2.77Å
175I81.2Confident86.1Confident65 Ų6553.1 Ų53.133%0.33327%0.265SS..Hα-helixtrans-62.7-41.6175.1-58.6166.1000110.6P129 F172 I177 E178P129-I175 HydrophobicContact CG-CD1 3.6Å; P129-I175 HydrophobicContact CG-CG1 3.88Å; P129-I175 HydrophobicContact CG-CG2 3.8Å; F172-I175 HydrophobicContact CD1-CD1 4.34Å; F172-I175 WeakPolarHBondContact O-CB 3.42Å; F172-I175 PolarHBondContact O-N 2.98Å; F172-I175 VanDerWaalsContact O-N 3.1Å; I175-I177 PolarHBondContact O-N 3.37Å; I175-E178 PolarHBondContact O-N 3.25Å
176H83.4Confident85.9Confident148 Ų14859 Ų5969%0.68529%0.293SS*.Hα-helixtrans-70.3-29.1-176.3-69.5-64.4000114.3F172 S173 C174F172-H176 PolarHBondContact O-CD2 2.89Å; F172-H176 VanDerWaalsContact O-CD2 3.26Å; F172-H176 PolarHBondContact O-N 2.95Å; S173-H176 PolarHBondContact O-N 3.4Å; C174-H176 VanDerWaalsContact C-N 3.33Å; C174-H176 PolarHBondContact O-N 2.9Å
177I87.8Confident85.9Confident15 Ų1561.2 Ų61.28%0.07730%0.303CS..Hα-helixtrans-81.1-19.6177.562.2166.9000112.8S173 C174 I175 V180 W181 P216 I218 V233S173-I177 PolarHBondContact O-N 3.25Å; C174-I177 WeakPolarHBondContact O-CG1 3.44Å; I175-I177 PolarHBondContact O-N 3.37Å; I177-V180 PolarHBondContact O-N 3.19Å; I177-W181 WeakPolarHBondContact O-CB 3.42Å; I177-W181 PolarHBondContact O-N 3.49Å; I177-P216 HydrophobicContact CD1-CB 3.68Å; I177-P216 HydrophobicContact CD1-CG 4.31Å; I177-I218 HydrophobicContact CD1-CD1 4.45Å; I177-V233 HydrophobicContact CB-CG1 4.07Å; I177-V233 HydrophobicContact CG2-CB 3.88Å; I177-V233 HydrophobicContact CG2-CG1 3.93Å; I177-V233 HydrophobicContact CG2-CG2 3.8Å
178E86.8Confident86.1Confident28 Ų2860.6 Ų60.613%0.13130%0.299CS..Hα-helixtrans-60.2-41.4-167.8-162.754.7-127.300115.3K165 C174 I175 W181 K182K165-E178 IonicContact NZ-OE1 3.89Å; K165-E178 PolarHBondContact NZ-OE1 2.95Å; K165-E178 IonicContact NZ-OE2 2.73Å; K165-E178 PolarHBondContact NZ-OE2 2.68Å; C174-E178 PolarHBondContact O-N 2.77Å; I175-E178 PolarHBondContact O-N 3.25Å; E178-W181 PolarHBondContact O-N 2.85Å; E178-K182 HydrophobicContact CG-CD 4.27Å; E178-K182 WeakPolarHBondContact O-CG 3.47Å; E178-K182 PolarHBondContact O-N 2.74Å; E178-K182 VanDerWaalsContact OE1-CE 3.25Å; E178-K182 WeakPolarHBondContact OE1-CE 3.43Å; E178-K182 IonicContact OE1-NZ 2.88Å
179P87.6Confident86.4Confident90 Ų9063 Ų6358%0.58431%0.307SS*.Hα-helixtrans-64.7-41.7177.4-20.734000112.3E183P179-E183 PolarHBondContact O-N 3.09Å
180V90.2Very high87.1Confident40 Ų4065.2 Ų65.224%0.24232%0.315CS..Hα-helixtrans-69.1-39.9179-1770000110.4I177 V184 V233I177-V180 PolarHBondContact O-N 3.19Å; V180-V184 HydrophobicContact CG1-CG2 4.38Å; V180-V184 WeakPolarHBondContact O-CB 3.28Å; V180-V184 VanDerWaalsContact O-CG2 3.22Å; V180-V184 WeakPolarHBondContact O-CG2 3.39Å; V180-V184 PolarHBondContact O-N 2.67Å; V180-V233 HydrophobicContact CG1-CG1 4.49Å
181W90.4Very high88Confident1 Ų156 Ų560%0.00428%0.282CS..Hα-helixtrans-59.2-48.5175.9178.9-99.7000111.5L163 K165 I177 E178 E183 V184 V185 I195 I218L163-W181 HydrophobicContact CD2-CH2 4.05Å; L163-W181 HydrophobicContact CD2-CZ3 3.78Å; L163-W181 HydrophobicContact CG-CH2 3.85Å; L163-W181 HydrophobicContact CG-CZ3 3.88Å; K165-W181 HydrophobicContact CB-CD2 4.18Å; K165-W181 HydrophobicContact CB-CE3 4.11Å; K165-W181 HydrophobicContact CB-CH2 3.75Å; K165-W181 HydrophobicContact CB-CZ2 3.81Å; K165-W181 HydrophobicContact CB-CZ3 3.9Å; K165-W181 HydrophobicContact CD-CD2 3.75Å; K165-W181 HydrophobicContact CD-CE3 4.47Å; K165-W181 HydrophobicContact CD-CG 3.86Å; K165-W181 HydrophobicContact CD-CZ2 4.08Å; K165-W181 VanDerWaalsContact CE-NE1 3.31Å; K165-W181 HydrophobicContact CG-CD2 4.13Å; K165-W181 HydrophobicContact CG-CH2 4.1Å; K165-W181 HydrophobicContact CG-CZ2 3.61Å; K165-W181 VanDerWaalsContact NZ-CD1 3.35Å; I177-W181 WeakPolarHBondContact O-CB 3.42Å; I177-W181 PolarHBondContact O-N 3.49Å; E178-W181 PolarHBondContact O-N 2.85Å; W181-E183 PolarHBondContact O-N 3.01Å; W181-V184 PolarHBondContact O-N 2.82Å; W181-V185 HydrophobicContact CD2-CG2 3.95Å; W181-V185 VanDerWaalsContact CE2-CG2 3.45Å; W181-V185 HydrophobicContact CG-CG2 4.19Å; W181-V185 HydrophobicContact CZ2-CG2 3.83Å; W181-V185 VanDerWaalsContact O-CB 3.32Å; W181-V185 WeakPolarHBondContact O-CB 3.46Å; W181-V185 VanDerWaalsContact O-CG2 3.28Å; W181-V185 WeakPolarHBondContact O-CG2 3.48Å; W181-V185 PolarHBondContact O-N 3.3Å; W181-I195 HydrophobicContact CZ2-CG2 4.09Å; W181-I218 HydrophobicContact CE3-CD1 4.21Å; W181-I218 HydrophobicContact CZ3-CD1 4.28Å; W181-I218 HydrophobicContact CZ3-CG1 4.41Å; W181-I218 HydrophobicContact CZ3-CG2 4.17Å
182K89.3Confident88.6Confident49 Ų4956.1 Ų56.121%0.21329%0.286CS..Hα-helixtrans-61.9-43.3180-74.9166.4176.91610113.2D136 I138 E178 V185 Q186D136-K182 IonicContact OD2-NZ 2.98Å; D136-K182 PolarHBondContact OD2-NZ 3.32Å; I138-K182 HydrophobicContact CD1-CD 4.45Å; E178-K182 HydrophobicContact CG-CD 4.27Å; E178-K182 WeakPolarHBondContact O-CG 3.47Å; E178-K182 PolarHBondContact O-N 2.74Å; E178-K182 VanDerWaalsContact OE1-CE 3.25Å; E178-K182 WeakPolarHBondContact OE1-CE 3.43Å; E178-K182 IonicContact OE1-NZ 2.88Å; K182-V185 PolarHBondContact O-N 3.43Å; K182-Q186 PolarHBondContact O-N 3.02Å
183E90.3Very high89.4Confident97 Ų9749.8 Ų49.845%0.45326%0.258SS..Hα-helixtrans-60.4-45175.5-171.7-171.5162.500111.5P179 W181 E187 R235P179-E183 PolarHBondContact O-N 3.09Å; W181-E183 PolarHBondContact O-N 3.01Å; E183-E187 PolarHBondContact O-N 3.02Å; E183-R235 WeakPolarHBondContact OE1-CD 3.49Å; E183-R235 IonicContact OE1-CZ 3.66Å; E183-R235 IonicContact OE1-NE 3.79Å; E183-R235 IonicContact OE1-NH1 2.67Å; E183-R235 PolarHBondContact OE1-NH1 3.28Å
184V91.9Very high90Very high2 Ų246.6 Ų46.61%0.01224%0.237CC..Hα-helixtrans-70.2-40.5-179.8170.50000112.1V180 W181 Q186 E187 L188 R235 L238V180-V184 HydrophobicContact CG1-CG2 4.38Å; V180-V184 WeakPolarHBondContact O-CB 3.28Å; V180-V184 VanDerWaalsContact O-CG2 3.22Å; V180-V184 WeakPolarHBondContact O-CG2 3.39Å; V180-V184 PolarHBondContact O-N 2.67Å; W181-V184 PolarHBondContact O-N 2.82Å; V184-Q186 VanDerWaalsContact C-N 3.31Å; V184-Q186 PolarHBondContact O-N 3.39Å; V184-E187 PolarHBondContact O-N 3.12Å; V184-L188 HydrophobicContact CG1-CD1 3.49Å; V184-L188 VanDerWaalsContact CG1-CD1 3.49Å; V184-L188 HydrophobicContact CG1-CG 3.94Å; V184-L188 WeakPolarHBondContact O-CB 3.33Å; V184-L188 VanDerWaalsContact O-CG 3.29Å; V184-L188 WeakPolarHBondContact O-CG 3.21Å; V184-L188 PolarHBondContact O-N 2.82Å; V184-R235 HydrophobicContact CG2-CB 3.8Å; V184-R235 HydrophobicContact CG2-CG 3.87Å; V184-L238 HydrophobicContact CB-CD1 4.31Å; V184-L238 HydrophobicContact CG1-CB 4.06Å; V184-L238 HydrophobicContact CG1-CD1 4.06Å; V184-L238 HydrophobicContact CG2-CD1 4.03Å
185V91.1Very high90.5Very high3 Ų346.9 Ų46.92%0.01824%0.237CC..Hα-helixtrans-58.8-43.5176.9157.60000111Y142 W181 K182 L188 E189 I195Y142-V185 HydrophobicContact CE2-CG1 3.63Å; W181-V185 HydrophobicContact CD2-CG2 3.95Å; W181-V185 VanDerWaalsContact CE2-CG2 3.45Å; W181-V185 HydrophobicContact CG-CG2 4.19Å; W181-V185 HydrophobicContact CZ2-CG2 3.83Å; W181-V185 VanDerWaalsContact O-CB 3.32Å; W181-V185 WeakPolarHBondContact O-CB 3.46Å; W181-V185 VanDerWaalsContact O-CG2 3.28Å; W181-V185 WeakPolarHBondContact O-CG2 3.48Å; W181-V185 PolarHBondContact O-N 3.3Å; K182-V185 PolarHBondContact O-N 3.43Å; V185-L188 PolarHBondContact O-N 3.43Å; V185-E189 VanDerWaalsContact O-CB 3.25Å; V185-E189 WeakPolarHBondContact O-CB 3.36Å; V185-E189 PolarHBondContact O-N 2.92Å; V185-I195 HydrophobicContact CB-CG2 4.47Å; V185-I195 HydrophobicContact CG1-CG1 4.27Å; V185-I195 HydrophobicContact CG1-CG2 4.02Å; V185-I195 HydrophobicContact CG2-CD1 4.23Å; V185-I195 HydrophobicContact CG2-CG1 4.41Å; V185-I195 HydrophobicContact CG2-CG2 3.65Å
186Q90.6Very high91.1Very high124 Ų12443.8 Ų43.858%0.57922%0.222SC*.Hα-helixtrans-64.7-46.1178.2-171.5179.2-15.200111.8K182 V184 E190K182-Q186 PolarHBondContact O-N 3.02Å; V184-Q186 VanDerWaalsContact C-N 3.31Å; V184-Q186 PolarHBondContact O-N 3.39Å; Q186-E190 PolarHBondContact NE2-OE1 2.93Å; Q186-E190 WeakPolarHBondContact O-CG 3.28Å; Q186-E190 PolarHBondContact O-N 3.42Å
187E91.8Very high91.6Very high47 Ų4736.9 Ų36.922%0.2219%0.19CC..Hα-helixtrans-60-49.3175.7-179.7179.5173.200111.3E183 V184 E190 L191 R235 R239E183-E187 PolarHBondContact O-N 3.02Å; V184-E187 PolarHBondContact O-N 3.12Å; E187-E190 PolarHBondContact O-N 3.17Å; E187-L191 HydrophobicContact CG-CD1 4.39Å; E187-L191 WeakPolarHBondContact O-CG 3.44Å; E187-L191 PolarHBondContact O-N 2.94Å; E187-L191 VanDerWaalsContact O-N 3.13Å; E187-R235 IonicContact OE2-CZ 2.96Å; E187-R235 IonicContact OE2-NE 2.69Å; E187-R235 PolarHBondContact OE2-NE 2.95Å; E187-R235 IonicContact OE2-NH2 3.43Å; E187-R235 PolarHBondContact OE2-NH2 3.36Å; E187-R239 IonicContact OE1-NE 3.3Å; E187-R239 PolarHBondContact OE1-NE 2.87Å
188L93.9Very high91.8Very high1 Ų136.2 Ų36.21%0.00519%0.186CC..Hα-helixtrans-73.7-31.4-173.1-65.4-175.3000113.1L163 V184 V185 L191 G192 V193 I195 V242 L285L163-L188 HydrophobicContact CD2-CD1 3.78Å; V184-L188 HydrophobicContact CG1-CD1 3.49Å; V184-L188 VanDerWaalsContact CG1-CD1 3.49Å; V184-L188 HydrophobicContact CG1-CG 3.94Å; V184-L188 WeakPolarHBondContact O-CB 3.33Å; V184-L188 VanDerWaalsContact O-CG 3.29Å; V184-L188 WeakPolarHBondContact O-CG 3.21Å; V184-L188 PolarHBondContact O-N 2.82Å; V185-L188 PolarHBondContact O-N 3.43Å; L188-L191 HydrophobicContact CD2-CD1 4.27Å; L188-L191 CarbonylContact O-C 3.39Å; L188-L191 PolarHBondContact O-N 3.32Å; L188-G192 PolarHBondContact O-N 3.44Å; L188-V193 HydrophobicContact CB-CB 4Å; L188-V193 HydrophobicContact CB-CG2 4.04Å; L188-V193 HydrophobicContact CD2-CG2 4.3Å; L188-V193 WeakPolarHBondContact O-CB 3.34Å; L188-V193 PolarHBondContact O-N 3.09Å; L188-I195 HydrophobicContact CB-CD1 4.31Å; L188-V242 HydrophobicContact CD1-CG2 4.04Å; L188-L285 HydrophobicContact CD2-CD2 4.33Å
189E92.6Very high91.9Very high81 Ų8135.5 Ų35.538%0.37918%0.183SC..Hα-helixtrans-69-37.1171.8-172.5177.8-138.200111.5K141 Y142 V185 L191 G192 I195K141-E189 IonicContact NZ-OE1 2.62Å; K141-E189 PolarHBondContact NZ-OE1 3.01Å; K141-E189 IonicContact NZ-OE2 2.91Å; K141-E189 PolarHBondContact NZ-OE2 2.61Å; Y142-E189 PolarHBondContact OH-OE2 3.04Å; V185-E189 VanDerWaalsContact O-CB 3.25Å; V185-E189 WeakPolarHBondContact O-CB 3.36Å; V185-E189 PolarHBondContact O-N 2.92Å; E189-L191 VanDerWaalsContact C-N 3.26Å; E189-L191 PolarHBondContact O-N 3.38Å; E189-G192 VanDerWaalsContact O-CA 3.24Å; E189-G192 WeakPolarHBondContact O-CA 3.4Å; E189-G192 PolarHBondContact O-N 2.89Å; E189-I195 HydrophobicContact CB-CG1 4.39Å
190E92.1Very high91.9Very high123 Ų12332.3 Ų32.358%0.57517%0.165SC*.Hα-helixtrans-66-28.2172.8-73.6-173.2-145.700112.5Q186 E187 G192Q186-E190 PolarHBondContact NE2-OE1 2.93Å; Q186-E190 WeakPolarHBondContact O-CG 3.28Å; Q186-E190 PolarHBondContact O-N 3.42Å; E187-E190 PolarHBondContact O-N 3.17Å; E190-G192 VanDerWaalsContact C-N 3.26Å
191L92.9Very high91.4Very high29 Ų2931.8 Ų31.815%0.15217%0.167CC..THydrogen-bonded Turntrans-80.2-5.4167-60.1-179000113.3E187 L188 E189 L285 L286 L289 K347E187-L191 HydrophobicContact CG-CD1 4.39Å; E187-L191 WeakPolarHBondContact O-CG 3.44Å; E187-L191 PolarHBondContact O-N 2.94Å; E187-L191 VanDerWaalsContact O-N 3.13Å; L188-L191 HydrophobicContact CD2-CD1 4.27Å; L188-L191 CarbonylContact O-C 3.39Å; L188-L191 PolarHBondContact O-N 3.32Å; E189-L191 VanDerWaalsContact C-N 3.26Å; E189-L191 PolarHBondContact O-N 3.38Å; L191-L285 HydrophobicContact CD1-CD2 4.05Å; L191-L285 HydrophobicContact CD1-CG 4.33Å; L191-L286 HydrophobicContact CD2-CB 3.8Å; L191-L286 HydrophobicContact CD2-CD1 3.9Å; L191-L286 HydrophobicContact CD2-CD2 4.4Å; L191-L286 HydrophobicContact CD2-CG 4.23Å; L191-L289 HydrophobicContact CB-CD1 3.76Å; L191-L289 HydrophobicContact CD1-CD1 4.49Å; L191-K347 VanDerWaalsContact O-CD 3.24Å; L191-K347 WeakPolarHBondContact O-CD 3.5Å; L191-K347 PolarHBondContact O-NZ 3.2Å
192G91.6Very high91.1Very high17 Ų1738.6 Ų38.618%0.17519%0.194CC..THydrogen-bonded Turntrans64.541.7178.900000114.3L188 E189 E190 K347L188-G192 PolarHBondContact O-N 3.44Å; E189-G192 VanDerWaalsContact O-CA 3.24Å; E189-G192 WeakPolarHBondContact O-CA 3.4Å; E189-G192 PolarHBondContact O-N 2.89Å; E190-G192 VanDerWaalsContact C-N 3.26Å; G192-K347 PolarHBondContact O-NZ 2.93Å
193V95.7Very high91Very high5 Ų538 Ų383%0.0319%0.192CC..  trans-74.1143.9156.4179.90000107.8P161 L163 L188 I195 V242 L289P161-V193 HydrophobicContact CG-CG1 4.41Å; P161-V193 HydrophobicContact CG-CG2 4.5Å; P161-V193 WeakPolarHBondContact O-CG1 3.31Å; L163-V193 HydrophobicContact CB-CG1 4.36Å; L188-V193 HydrophobicContact CB-CB 4Å; L188-V193 HydrophobicContact CB-CG2 4.04Å; L188-V193 HydrophobicContact CD2-CG2 4.3Å; L188-V193 WeakPolarHBondContact O-CB 3.34Å; L188-V193 PolarHBondContact O-N 3.09Å; V193-I195 HydrophobicContact CG1-CD1 4.4Å; V193-V242 HydrophobicContact CG1-CG1 4.22Å; V193-V242 HydrophobicContact CG2-CG1 3.92Å; V193-L289 HydrophobicContact CG2-CD1 3.78Å; V193-L289 HydrophobicContact CG2-CD2 4.08Å
194G94.6Very high90.7Very high4 Ų439.9 Ų39.94%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-75.5134.5172.500000111.4P161 Y162 L163P161-G194 PolarHBondContact O-N 3.32Å; Y162-G194 CarbonylContact C-O 3.59Å; Y162-G194 WeakPolarHBondContact CA-O 3.12Å; L163-G194 PolarHBondContact N-O 2.91Å
195I95.1Very high90.4Very high15 Ų1546.8 Ų46.88%0.07722%0.221CC..EExtended strand (participates in β ladder)trans-112.8141.5179.6-56.5-58.1000109.6Y142 L163 W181 V185 L188 E189 V193Y142-I195 HydrophobicContact CD1-CB 3.9Å; Y142-I195 HydrophobicContact CD1-CG2 3.89Å; Y142-I195 HydrophobicContact CD2-CG2 3.93Å; Y142-I195 HydrophobicContact CE1-CB 4.02Å; Y142-I195 HydrophobicContact CE1-CG2 4.18Å; Y142-I195 HydrophobicContact CE2-CG2 4.22Å; Y142-I195 HydrophobicContact CG-CB 4.32Å; Y142-I195 HydrophobicContact CG-CG2 3.78Å; L163-I195 HydrophobicContact CB-CD1 4.37Å; L163-I195 WeakPolarHBondContact O-CA 3.46Å; W181-I195 HydrophobicContact CZ2-CG2 4.09Å; V185-I195 HydrophobicContact CB-CG2 4.47Å; V185-I195 HydrophobicContact CG1-CG1 4.27Å; V185-I195 HydrophobicContact CG1-CG2 4.02Å; V185-I195 HydrophobicContact CG2-CD1 4.23Å; V185-I195 HydrophobicContact CG2-CG1 4.41Å; V185-I195 HydrophobicContact CG2-CG2 3.65Å; L188-I195 HydrophobicContact CB-CD1 4.31Å; E189-I195 HydrophobicContact CB-CG1 4.39Å; V193-I195 HydrophobicContact CG1-CD1 4.4Å
196G94Very high90.3Very high0 Ų046.6 Ų46.60%022%0.22CC..EExtended strand (participates in β ladder)trans-146154.7176.600000114.2Y142 L163 I164 K165Y142-G196 CarbonylContact O-C 3.46Å; L163-G196 PolarHBondContact O-N 3.1Å; I164-G196 VanDerWaalsContact CA-O 3.3Å; I164-G196 WeakPolarHBondContact CA-O 3.31Å; K165-G196 PolarHBondContact N-O 3.2Å; K165-G196 VanDerWaalsContact N-O 3.07Å
197V93Very high90.2Very high4 Ų441 Ų412%0.02419%0.194CC..EExtended strand (participates in β ladder)trans-134121.6176.5-1790000108.3Y142 L143 L144 K165Y142-V197 PolarHBondContact O-N 3.07Å; L143-V197 WeakPolarHBondContact CA-O 3.41Å; L144-V197 PolarHBondContact N-O 2.86Å; K165-V197 HydrophobicContact CD-CG2 4.35Å; K165-V197 VanDerWaalsContact CE-CG2 3.44Å; K165-V197 HydrophobicContact CG-CB 4.42Å; K165-V197 HydrophobicContact CG-CG1 4.2Å; K165-V197 HydrophobicContact CG-CG2 3.95Å; K165-V197 WeakPolarHBondContact O-CA 3.36Å
198V92.5Very high89.8Confident0 Ų045.1 Ų45.10%021%0.213CC..EExtended strand (participates in β ladder)trans-113.3117.7174.3-177.70000108.6L144 I164 K165 I166 T167 A200 E203 L206 A207 L210L144-V198 HydrophobicContact CB-CG2 4.07Å; I164-V198 HydrophobicContact CG2-CG2 3.84Å; K165-V198 PolarHBondContact O-N 2.98Å; I166-V198 VanDerWaalsContact CA-O 3.28Å; I166-V198 WeakPolarHBondContact CA-O 3.37Å; I166-V198 HydrophobicContact CD1-CB 4.47Å; I166-V198 HydrophobicContact CG1-CB 4.11Å; I166-V198 HydrophobicContact CG2-CB 4.45Å; T167-V198 PolarHBondContact N-O 3.29Å; V198-A200 PolarHBondContact O-N 3.04Å; V198-E203 HydrophobicContact CG1-CB 3.92Å; V198-L206 HydrophobicContact CG1-CB 4.19Å; V198-L206 HydrophobicContact CG1-CD2 4.1Å; V198-L206 HydrophobicContact CG1-CG 4.07Å; V198-L206 HydrophobicContact CG2-CD2 3.61Å; V198-L206 HydrophobicContact CG2-CG 4.05Å; V198-A207 HydrophobicContact CG1-CB 4.32Å; V198-L210 HydrophobicContact CG2-CD1 3.96Å
199H89.5Confident89.4Confident13 Ų1349.6 Ų49.66%0.0623%0.234CC..EExtended strand (participates in β ladder)trans-87.4107.3174.6-171.1-97.6000110.4L143 S168 D169 G201 Y202 E203L143-H199 HydrophobicContact CD1-CB 4.4Å; S168-H199 VanDerWaalsContact C-NE2 3.34Å; S168-H199 VanDerWaalsContact CA-NE2 3.26Å; S168-H199 WeakPolarHBondContact CA-NE2 3.29Å; D169-H199 VanDerWaalsContact CG-CE1 3.48Å; D169-H199 VanDerWaalsContact CG-NE2 3.32Å; D169-H199 PolarHBondContact N-NE2 3.44Å; D169-H199 IonicContact OD1-CE1 3.6Å; D169-H199 IonicContact OD1-NE2 2.67Å; D169-H199 PolarHBondContact OD1-NE2 2.95Å; D169-H199 IonicContact OD2-CE1 3.64Å; D169-H199 PolarHBondContact OD2-CE1 3.23Å; D169-H199 IonicContact OD2-NE2 2.68Å; D169-H199 PolarHBondContact OD2-NE2 2.94Å; H199-G201 PolarHBondContact ND1-N 3.2Å; H199-G201 PolarHBondContact O-N 3.11Å; H199-Y202 HydrophobicContact CB-CD2 3.88Å; H199-Y202 HydrophobicContact CB-CE2 4.49Å; H199-Y202 AromaticContact CE1-CD2 3.85Å; H199-Y202 AromaticContact CE1-CE2 3.62Å; H199-Y202 AromaticContact CG-CD2 3.62Å; H199-Y202 AromaticContact CG-CE2 3.87Å; H199-Y202 AromaticContact ND1-CD2 2.98Å; H199-Y202 WeakPolarHBondContact ND1-CD2 3.4Å; H199-Y202 AromaticContact ND1-CE2 3.19Å; H199-Y202 WeakPolarHBondContact ND1-CE2 3.33Å; H199-Y202 AromaticContact ND1-CG 3.9Å; H199-Y202 PolarHBondContact O-N 3.14Å; H199-E203 PolarHBondContact O-N 3.21Å
200A86.8Confident89.1Confident24 Ų2445.8 Ų45.820%0.19822%0.216CC..THydrogen-bonded Turntrans-59.2-21.5-175.300000113.5I166 T167 V198 R204 A207 T215I166-A200 HydrophobicContact CG2-CB 4.14Å; T167-A200 WeakPolarHBondContact O-CB 3.19Å; T167-A200 PolarHBondContact O-N 2.62Å; V198-A200 PolarHBondContact O-N 3.04Å; A200-R204 WeakPolarHBondContact O-CG 3.14Å; A200-A207 HydrophobicContact CB-CB 4.14Å; A200-T215 HydrophobicContact CB-CG2 3.86Å
201G80.8Confident88.7Confident29 Ų2941.4 Ų41.430%0.29920%0.204SC..THydrogen-bonded Turntrans-70.2-37.417500000114.6H199 R204H199-G201 PolarHBondContact ND1-N 3.2Å; H199-G201 PolarHBondContact O-N 3.11Å; G201-R204 PolarHBondContact O-NE 3.1Å
202Y83Confident88.2Confident144 Ų14440.4 Ų40.457%0.56520%0.2SC*.THydrogen-bonded Turntrans-99.2-54.3-179.1-52.8-73.9000110.9R135 H199 R204R135-Y202 VanDerWaalsContact NH2-CE2 3.31Å; R135-Y202 PolarHBondContact NH2-OH 2.88Å; H199-Y202 HydrophobicContact CB-CD2 3.88Å; H199-Y202 HydrophobicContact CB-CE2 4.49Å; H199-Y202 AromaticContact CE1-CD2 3.85Å; H199-Y202 AromaticContact CE1-CE2 3.62Å; H199-Y202 AromaticContact CG-CD2 3.62Å; H199-Y202 AromaticContact CG-CE2 3.87Å; H199-Y202 AromaticContact ND1-CD2 2.98Å; H199-Y202 WeakPolarHBondContact ND1-CD2 3.4Å; H199-Y202 AromaticContact ND1-CE2 3.19Å; H199-Y202 WeakPolarHBondContact ND1-CE2 3.33Å; H199-Y202 AromaticContact ND1-CG 3.9Å; H199-Y202 PolarHBondContact O-N 3.14Å; Y202-R204 PolarHBondContact O-N 3.42Å
203E86.6Confident87.6Confident36 Ų3646.1 Ų46.117%0.16822%0.222CC..  trans-89.749.7-176.2-77.9-70.3146.700111.5H145 F146 V198 H199 R205 L206 A207H145-E203 IonicContact CE1-OE1 2.71Å; H145-E203 IonicContact CG-OE1 3.46Å; H145-E203 IonicContact ND1-OE1 3.91Å; H145-E203 PolarHBondContact ND1-OE1 3.26Å; F146-E203 PolarHBondContact N-OE2 3.38Å; V198-E203 HydrophobicContact CG1-CB 3.92Å; H199-E203 PolarHBondContact O-N 3.21Å; E203-R205 PolarHBondContact O-N 3.18Å; E203-L206 HydrophobicContact CB-CB 4.23Å; E203-L206 PolarHBondContact O-N 3.48Å; E203-A207 PolarHBondContact O-N 3.4Å
204R84.6Confident86.9Confident137 Ų13749.7 Ų49.752%0.51725%0.247SC..Hα-helixtrans-52.3-41.3179.5-67.8175.7-171.3-173.50.7112.2A200 G201 Y202 A207 H208A200-R204 WeakPolarHBondContact O-CG 3.14Å; G201-R204 PolarHBondContact O-NE 3.1Å; Y202-R204 PolarHBondContact O-N 3.42Å; R204-A207 PolarHBondContact O-N 3.46Å; R204-H208 WeakPolarHBondContact O-CB 3.07Å; R204-H208 PolarHBondContact O-N 2.66Å
205R85.7Confident86.5Confident146 Ų14651.8 Ų51.855%0.55126%0.259SS*.Hα-helixtrans-59.9-44.4177.5179.7179.1173.2144.41.6111.9F146 E203 H209F146-R205 HydrophobicContact CD2-CG 3.84Å; F146-R205 HydrophobicContact CE2-CG 4.17Å; F146-R205 HydrophobicContact CG-CG 4.17Å; E203-R205 PolarHBondContact O-N 3.18Å; R205-H209 VanDerWaalsContact O-CB 3.25Å; R205-H209 WeakPolarHBondContact O-CB 3.34Å; R205-H209 PolarHBondContact O-N 3.11Å
206L88.6Confident86.2Confident0 Ų053 Ų530%027%0.268CS..Hα-helixtrans-73.2-42.6178.2-178.656.2000111.6L144 F146 Y149 V198 E203 H208 H209 L210L144-L206 HydrophobicContact CB-CD2 4.05Å; L144-L206 WeakPolarHBondContact O-CD2 3.5Å; F146-L206 HydrophobicContact CB-CB 4.27Å; F146-L206 HydrophobicContact CD2-CB 4.27Å; F146-L206 HydrophobicContact CD2-CD1 4.19Å; Y149-L206 HydrophobicContact CD1-CD1 3.54Å; Y149-L206 HydrophobicContact CD2-CD1 4.09Å; Y149-L206 HydrophobicContact CE1-CD1 4.18Å; Y149-L206 HydrophobicContact CG-CD1 3.5Å; Y149-L206 VanDerWaalsContact CG-CD1 3.5Å; Y149-L206 HydrophobicContact CG-CD2 4.48Å; V198-L206 HydrophobicContact CG1-CB 4.19Å; V198-L206 HydrophobicContact CG1-CD2 4.1Å; V198-L206 HydrophobicContact CG1-CG 4.07Å; V198-L206 HydrophobicContact CG2-CD2 3.61Å; V198-L206 HydrophobicContact CG2-CG 4.05Å; E203-L206 HydrophobicContact CB-CB 4.23Å; E203-L206 PolarHBondContact O-N 3.48Å; L206-H208 VanDerWaalsContact C-N 3.32Å; L206-H208 PolarHBondContact O-N 3.15Å; L206-H209 PolarHBondContact O-N 2.78Å; L206-L210 HydrophobicContact CD1-CD1 3.85Å; L206-L210 HydrophobicContact CD1-CG 3.93Å; L206-L210 HydrophobicContact CG-CD1 3.81Å; L206-L210 HydrophobicContact CG-CG 4.35Å; L206-L210 WeakPolarHBondContact O-CB 3.48Å; L206-L210 VanDerWaalsContact O-CG 3.28Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.09Å
207A88.1Confident86Confident5 Ų553.8 Ų53.84%0.04127%0.273CS..Hα-helixtrans-58.3-43.2175.500000112.2I166 V198 A200 E203 R204 L210 G211 A212I166-A207 HydrophobicContact CG2-CB 4.31Å; V198-A207 HydrophobicContact CG1-CB 4.32Å; A200-A207 HydrophobicContact CB-CB 4.14Å; E203-A207 PolarHBondContact O-N 3.4Å; R204-A207 PolarHBondContact O-N 3.46Å; A207-L210 PolarHBondContact O-N 2.93Å; A207-G211 PolarHBondContact O-N 3.34Å; A207-A212 PolarHBondContact O-N 3.13Å
208H84.8Confident86.1Confident134 Ų13453.9 Ų53.962%0.6227%0.274SS*.Hα-helixtrans-69.1-39.1174.6-169.5-56.3000112.6R204 L206 L210 G211R204-H208 WeakPolarHBondContact O-CB 3.07Å; R204-H208 PolarHBondContact O-N 2.66Å; L206-H208 VanDerWaalsContact C-N 3.32Å; L206-H208 PolarHBondContact O-N 3.15Å; H208-L210 VanDerWaalsContact C-N 3.26Å; H208-L210 PolarHBondContact O-N 2.97Å; H208-G211 PolarHBondContact O-N 3.3Å; H208-G211 VanDerWaalsContact O-N 3.08Å
209H85.9Confident86.1Confident96 Ų9653.9 Ų53.944%0.44427%0.274SS..Hα-helixtrans-64.4-32.5175.9179.755.1000112.4F146 Y149 R205 L206 G211F146-H209 HydrophobicContact CE2-CB 4.01Å; F146-H209 AromaticContact CE2-CD2 3.79Å; F146-H209 AromaticContact CE2-CG 3.88Å; Y149-H209 AromaticContact CE1-CD2 3.56Å; Y149-H209 AromaticContact CE1-NE2 3.61Å; R205-H209 VanDerWaalsContact O-CB 3.25Å; R205-H209 WeakPolarHBondContact O-CB 3.34Å; R205-H209 PolarHBondContact O-N 3.11Å; L206-H209 PolarHBondContact O-N 2.78Å; H209-G211 PolarHBondContact O-N 3.4Å
210L86.3Confident86.4Confident1 Ų153.3 Ų53.31%0.00527%0.271CS..THydrogen-bonded Turntrans-79.21.9173.6-69.4170.8000113.8Y149 I166 V198 L206 A207 H208 A212 L219 I221 I226 F228Y149-L210 HydrophobicContact CE1-CD2 4.45Å; Y149-L210 HydrophobicContact CE2-CD2 3.75Å; I166-L210 HydrophobicContact CD1-CB 4.18Å; I166-L210 HydrophobicContact CD1-CD1 3.85Å; V198-L210 HydrophobicContact CG2-CD1 3.96Å; L206-L210 HydrophobicContact CD1-CD1 3.85Å; L206-L210 HydrophobicContact CD1-CG 3.93Å; L206-L210 HydrophobicContact CG-CD1 3.81Å; L206-L210 HydrophobicContact CG-CG 4.35Å; L206-L210 WeakPolarHBondContact O-CB 3.48Å; L206-L210 VanDerWaalsContact O-CG 3.28Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.09Å; A207-L210 PolarHBondContact O-N 2.93Å; H208-L210 VanDerWaalsContact C-N 3.26Å; H208-L210 PolarHBondContact O-N 2.97Å; L210-A212 VanDerWaalsContact C-N 3.25Å; L210-A212 PolarHBondContact O-N 2.99Å; L210-L219 HydrophobicContact CB-CD2 3.93Å; L210-L219 HydrophobicContact CD1-CD2 4.32Å; L210-L219 HydrophobicContact CD2-CD1 4.36Å; L210-L219 HydrophobicContact CD2-CD2 4.34Å; L210-L219 HydrophobicContact CG-CD2 4.43Å; L210-I221 HydrophobicContact CD2-CD1 4.3Å; L210-I226 HydrophobicContact CD2-CD1 3.82Å; L210-I226 HydrophobicContact CD2-CG1 4.25Å; L210-F228 VanDerWaalsContact O-CZ 3.23Å; L210-F228 WeakPolarHBondContact O-CZ 3.45Å
211G82.6Confident86.7Confident30 Ų3052.1 Ų52.131%0.30926%0.262SS..THydrogen-bonded Turntrans70.813.2-178.700000115A207 H208 H209 H213A207-G211 PolarHBondContact O-N 3.34Å; H208-G211 PolarHBondContact O-N 3.3Å; H208-G211 VanDerWaalsContact O-N 3.08Å; H209-G211 PolarHBondContact O-N 3.4Å; G211-H213 PolarHBondContact O-CD2 2.96Å; G211-H213 PolarHBondContact O-N 2.9Å; G211-H213 VanDerWaalsContact O-N 3.12Å
212A82.8Confident87.3Confident9 Ų951.4 Ų51.47%0.07425%0.25CS..  trans-88.980.6-17100000112.1I166 A207 L210 S214I166-A212 HydrophobicContact CD1-CB 3.39Å; I166-A212 HydrophobicContact CG1-CB 4.46Å; I166-A212 HydrophobicContact CG2-CB 4.25Å; A207-A212 PolarHBondContact O-N 3.13Å; L210-A212 VanDerWaalsContact C-N 3.25Å; L210-A212 PolarHBondContact O-N 2.99Å; A212-S214 PolarHBondContact O-N 2.93Å
213H78.1Confident87.5Confident136 Ų13646.7 Ų46.763%0.6324%0.235SC*.  trans-77.5-0.5-179.2-58.2-66000114.7G211G211-H213 PolarHBondContact O-CD2 2.96Å; G211-H213 PolarHBondContact O-N 2.9Å; G211-H213 VanDerWaalsContact O-N 3.12Å
214S81.7Confident87.5Confident80 Ų8046.3 Ų46.356%0.55924%0.241SC*.SBendtrans-147.4157.7177.3690000113.1A212 S217A212-S214 PolarHBondContact O-N 2.93Å; S214-S217 PolarHBondContact O-OG 3.4Å
215T85.8Confident87.6Confident48 Ų4843 Ų4329%0.29423%0.23SC..SBendtrans-125.8138.4178.856.50000111.4I166 A200I166-T215 HydrophobicContact CG2-CG2 4.31Å; A200-T215 HydrophobicContact CB-CG2 3.86Å
216P88.9Confident87.7Confident42 Ų4238.3 Ų38.327%0.27322%0.215SC..SBendcis-76.5138.8-1.130.4-32.8000111.8I166 I177I166-P216 WeakPolarHBondContact O-CA 3.36Å; I177-P216 HydrophobicContact CD1-CB 3.68Å; I177-P216 HydrophobicContact CD1-CG 4.31Å
217S90.8Very high87.8Confident15 Ų1540.4 Ų40.411%0.10523%0.23CC..EExtended strand (participates in β ladder)trans-114.6140.3162.9-71.20000108.8K165 I166 S214K165-S217 CarbonylContact C-O 3.48Å; I166-S217 PolarHBondContact N-O 3.04Å; I166-S217 PolarHBondContact O-N 3Å; I166-S217 VanDerWaalsContact O-N 3.16Å; S214-S217 PolarHBondContact O-OG 3.4Å
218I93.7Very high87.9Confident7 Ų742.3 Ų42.34%0.03624%0.237CC..EExtended strand (participates in β ladder)trans-118134.6167.7-63.9174.7000107L163 I164 K165 I177 W181 F229 V233 L238L163-I218 HydrophobicContact CD1-CG2 3.79Å; L163-I218 HydrophobicContact CG-CG2 4.44Å; I164-I218 WeakPolarHBondContact O-CA 3.32Å; K165-I218 HydrophobicContact CB-CG1 4.27Å; I177-I218 HydrophobicContact CD1-CD1 4.45Å; W181-I218 HydrophobicContact CE3-CD1 4.21Å; W181-I218 HydrophobicContact CZ3-CD1 4.28Å; W181-I218 HydrophobicContact CZ3-CG1 4.41Å; W181-I218 HydrophobicContact CZ3-CG2 4.17Å; I218-F229 HydrophobicContact CB-CB 3.99Å; I218-F229 HydrophobicContact CB-CD1 4.26Å; I218-F229 HydrophobicContact CB-CG 4.48Å; I218-F229 HydrophobicContact CG2-CB 3.97Å; I218-F229 HydrophobicContact CG2-CG 4.4Å; I218-F229 WeakPolarHBondContact O-CB 3.36Å; I218-F229 PolarHBondContact O-N 3.29Å; I218-V233 HydrophobicContact CD1-CG1 3.95Å; I218-V233 HydrophobicContact CD1-CG2 4.02Å; I218-L238 HydrophobicContact CD1-CD2 4.09Å; I218-L238 HydrophobicContact CG2-CD2 4.07Å
219L94.1Very high88.2Confident0 Ų036.9 Ų36.90%021%0.212CC..EExtended strand (participates in β ladder)trans-138151.7-179.863.685.5000112I164 I166 L210 I221 I226 S227 F228I164-L219 HydrophobicContact CB-CD1 3.82Å; I164-L219 HydrophobicContact CB-CG 4.17Å; I164-L219 HydrophobicContact CD1-CD1 4.16Å; I164-L219 HydrophobicContact CG1-CD1 4.23Å; I164-L219 PolarHBondContact N-O 2.71Å; I164-L219 PolarHBondContact O-N 3.32Å; I166-L219 HydrophobicContact CD1-CD2 3.62Å; I166-L219 HydrophobicContact CG1-CD2 4.44Å; L210-L219 HydrophobicContact CB-CD2 3.93Å; L210-L219 HydrophobicContact CD1-CD2 4.32Å; L210-L219 HydrophobicContact CD2-CD1 4.36Å; L210-L219 HydrophobicContact CD2-CD2 4.34Å; L210-L219 HydrophobicContact CG-CD2 4.43Å; L219-I221 HydrophobicContact CD1-CD1 3.51Å; L219-I221 HydrophobicContact CD1-CG1 3.73Å; L219-I226 HydrophobicContact CB-CG2 4.33Å; L219-I226 HydrophobicContact CD1-CG2 4.29Å; L219-I226 HydrophobicContact CD2-CG2 4.26Å; L219-S227 CarbonylContact C-O 3.58Å; L219-S227 VanDerWaalsContact CA-O 3.27Å; L219-S227 WeakPolarHBondContact CA-O 2.99Å; L219-S227 WeakPolarHBondContact CB-O 3.25Å; L219-F228 HydrophobicContact CB-CD1 4.35Å; L219-F228 HydrophobicContact CD2-CE1 4.34Å
220G94.5Very high88.2Confident0 Ų038.2 Ų38.20%022%0.218CC..EExtended strand (participates in β ladder)trans-107.2143.9173.400000110.2Y162 S227Y162-G220 CarbonylContact O-C 3.57Å; Y162-G220 VanDerWaalsContact O-CA 3.28Å; Y162-G220 WeakPolarHBondContact O-CA 3.49Å; G220-S227 PolarHBondContact N-O 2.84Å; G220-S227 PolarHBondContact O-N 3.45Å
221I93.7Very high88.3Confident0 Ų043.3 Ų43.30%025%0.245CC..EExtended strand (participates in β ladder)trans-127.3133.6173.7-64.2142.3000110.4Y149 P161 Y162 I164 L210 L219 K225 I226Y149-I221 HydrophobicContact CE2-CD1 3.8Å; P161-I221 WeakPolarHBondContact CA-O 3.44Å; Y162-I221 PolarHBondContact N-O 3.21Å; Y162-I221 PolarHBondContact O-N 3.43Å; I164-I221 HydrophobicContact CD1-CD1 3.32Å; I164-I221 HydrophobicContact CG1-CD1 4.1Å; L210-I221 HydrophobicContact CD2-CD1 4.3Å; L219-I221 HydrophobicContact CD1-CD1 3.51Å; L219-I221 HydrophobicContact CD1-CG1 3.73Å; I221-K225 VanDerWaalsContact CA-O 3.25Å; I221-K225 WeakPolarHBondContact CA-O 3.47Å; I221-I226 HydrophobicContact CG1-CG1 4.02Å
222I92.6Very high88.5Confident13 Ų1345.1 Ų45.17%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-149.6134.6174.4-160.1177.9000110.4G224 K225 L245 L246 F292I222-G224 PolarHBondContact O-N 3.29Å; I222-G224 VanDerWaalsContact O-N 3.13Å; I222-K225 PolarHBondContact N-O 3.15Å; I222-K225 VanDerWaalsContact N-O 3.1Å; I222-K225 WeakPolarHBondContact O-CB 3.48Å; I222-K225 PolarHBondContact O-N 2.77Å; I222-L245 HydrophobicContact CD1-CB 4.46Å; I222-L245 WeakPolarHBondContact CD1-O 3.35Å; I222-L245 HydrophobicContact CG2-CB 4.4Å; I222-L246 HydrophobicContact CD1-CD2 3.98Å; I222-F292 HydrophobicContact CD1-CD1 4.41Å; I222-F292 HydrophobicContact CD1-CD2 4.4Å; I222-F292 HydrophobicContact CD1-CE1 3.81Å; I222-F292 HydrophobicContact CD1-CE2 3.79Å; I222-F292 HydrophobicContact CD1-CZ 3.48Å; I222-F292 VanDerWaalsContact CD1-CZ 3.48Å; I222-F292 HydrophobicContact CG1-CE1 3.73Å; I222-F292 HydrophobicContact CG1-CE2 4.16Å; I222-F292 HydrophobicContact CG1-CZ 3.4Å
223N88.7Confident88.8Confident46 Ų4646.8 Ų46.825%0.24627%0.267CS..THydrogen-bonded Turntrans49.933.8-173.9-44.9-69.2000113.7S157 F158 K225 K295S157-N223 PolarHBondContact O-N 2.81Å; S157-N223 PolarHBondContact OG-N 3.5Å; F158-N223 HydrophobicContact CD1-CB 3.7Å; F158-N223 HydrophobicContact CE1-CB 3.62Å; F158-N223 HydrophobicContact CG-CB 4.36Å; F158-N223 VanDerWaalsContact CZ-C 3.47Å; F158-N223 HydrophobicContact CZ-CB 4.2Å; F158-N223 VanDerWaalsContact CZ-O 3.29Å; F158-N223 WeakPolarHBondContact CZ-O 3.2Å; N223-K225 PolarHBondContact O-N 3.07Å; N223-K295 PolarHBondContact OD1-NZ 3.11Å
224G85.5Confident89.5Confident27 Ų2743.8 Ų43.828%0.27826%0.258SS..THydrogen-bonded Turntrans76.8-7.6-174.800000116.3S157 I222S157-G224 PolarHBondContact OG-N 2.92Å; I222-G224 PolarHBondContact O-N 3.29Å; I222-G224 VanDerWaalsContact O-N 3.13Å
225K86.1Confident89.9Confident67 Ų6745 Ų4529%0.29125%0.25SS..EExtended strand (participates in β ladder)trans-81.1141.6177.6-58.2-176.1173-160.60110.6I221 I222 N223 D519 D523I221-K225 VanDerWaalsContact CA-O 3.25Å; I221-K225 WeakPolarHBondContact CA-O 3.47Å; I222-K225 PolarHBondContact N-O 3.15Å; I222-K225 VanDerWaalsContact N-O 3.1Å; I222-K225 WeakPolarHBondContact O-CB 3.48Å; I222-K225 PolarHBondContact O-N 2.77Å; N223-K225 PolarHBondContact O-N 3.07Å; K225-D519 IonicContact NZ-OD1 3.28Å; K225-D519 PolarHBondContact NZ-OD1 3.24Å; K225-D523 VanDerWaalsContact CD-OD1 3.29Å; K225-D523 WeakPolarHBondContact CD-OD1 3.35Å; K225-D523 VanDerWaalsContact CE-OD1 3.23Å; K225-D523 WeakPolarHBondContact CE-OD1 3.46Å; K225-D523 WeakPolarHBondContact CE-OD2 3.38Å; K225-D523 IonicContact NZ-OD1 2.72Å; K225-D523 PolarHBondContact NZ-OD1 3Å; K225-D523 IonicContact NZ-OD2 3.35Å; K225-D523 PolarHBondContact NZ-OD2 2.94Å
226I89.4Confident90.2Very high48 Ų4846.5 Ų46.525%0.24625%0.254CS..EExtended strand (participates in β ladder)trans-105.6134.7-179.6-61.9157.9000109.7L210 L219 I221 F228L210-I226 HydrophobicContact CD2-CD1 3.82Å; L210-I226 HydrophobicContact CD2-CG1 4.25Å; L219-I226 HydrophobicContact CB-CG2 4.33Å; L219-I226 HydrophobicContact CD1-CG2 4.29Å; L219-I226 HydrophobicContact CD2-CG2 4.26Å; I221-I226 HydrophobicContact CG1-CG1 4.02Å; I226-F228 HydrophobicContact CG2-CE2 4.16Å; I226-F228 HydrophobicContact CG2-CZ 4.49Å
227S89.6Confident90.4Very high44 Ų4446.7 Ų46.731%0.30825%0.253SS..EExtended strand (participates in β ladder)trans-130.9135.7174.7-510000110.1L219 G220L219-S227 CarbonylContact C-O 3.58Å; L219-S227 VanDerWaalsContact CA-O 3.27Å; L219-S227 WeakPolarHBondContact CA-O 2.99Å; L219-S227 WeakPolarHBondContact CB-O 3.25Å; G220-S227 PolarHBondContact N-O 2.84Å; G220-S227 PolarHBondContact O-N 3.45Å
228F89.8Confident90.6Very high45 Ų4546 Ų4620%0.19725%0.248CC..EExtended strand (participates in β ladder)trans-92.4141.1-178.7-72.1-92000112.7L210 L219 I226 H230 N531L210-F228 VanDerWaalsContact O-CZ 3.23Å; L210-F228 WeakPolarHBondContact O-CZ 3.45Å; L219-F228 HydrophobicContact CB-CD1 4.35Å; L219-F228 HydrophobicContact CD2-CE1 4.34Å; I226-F228 HydrophobicContact CG2-CE2 4.16Å; I226-F228 HydrophobicContact CG2-CZ 4.49Å; F228-H230 PolarHBondContact O-ND1 2.82Å; F228-N531 HydrophobicContact CD2-CB 4.34Å
229F91.3Very high90.5Very high21 Ų2149 Ų499%0.09226%0.259CS..  trans-87.6113.8174.2179-102.5000110.6I218 N231 V233 N237 L238 F241I218-F229 HydrophobicContact CB-CB 3.99Å; I218-F229 HydrophobicContact CB-CD1 4.26Å; I218-F229 HydrophobicContact CB-CG 4.48Å; I218-F229 HydrophobicContact CG2-CB 3.97Å; I218-F229 HydrophobicContact CG2-CG 4.4Å; I218-F229 WeakPolarHBondContact O-CB 3.36Å; I218-F229 PolarHBondContact O-N 3.29Å; F229-N231 HydrophobicContact CE1-CB 4.32Å; F229-N231 WeakPolarHBondContact CE1-O 3.3Å; F229-N231 HydrophobicContact CE2-CB 3.86Å; F229-N231 HydrophobicContact CZ-CB 3.7Å; F229-V233 HydrophobicContact CE1-CG2 3.99Å; F229-N237 HydrophobicContact CE2-CB 4.14Å; F229-N237 HydrophobicContact CZ-CB 3.85Å; F229-L238 HydrophobicContact CD1-CD2 3.97Å; F229-L238 HydrophobicContact CD2-CD2 4.13Å; F229-L238 HydrophobicContact CE1-CD2 3.78Å; F229-L238 HydrophobicContact CE1-CG 4.45Å; F229-L238 HydrophobicContact CE2-CD2 3.94Å; F229-L238 HydrophobicContact CE2-CG 4.49Å; F229-L238 HydrophobicContact CG-CD2 4.12Å; F229-L238 HydrophobicContact CZ-CD2 3.75Å; F229-L238 HydrophobicContact CZ-CG 4.14Å; F229-F241 HydrophobicContact CB-CD1 4.19Å; F229-F241 HydrophobicContact CB-CD2 4.45Å; F229-F241 HydrophobicContact CB-CE1 4Å; F229-F241 HydrophobicContact CB-CE2 4.26Å; F229-F241 HydrophobicContact CB-CG 4.42Å; F229-F241 HydrophobicContact CB-CZ 4.03Å; F229-F241 HydrophobicContact CD2-CB 3.62Å; F229-F241 AromaticContact CD2-CD1 3.88Å; F229-F241 HydrophobicContact CD2-CD1 3.88Å; F229-F241 AromaticContact CD2-CD2 3.9Å; F229-F241 HydrophobicContact CD2-CD2 3.9Å; F229-F241 AromaticContact CD2-CG 3.53Å; F229-F241 HydrophobicContact CD2-CG 3.53Å; F229-F241 HydrophobicContact CE2-CB 3.85Å; F229-F241 HydrophobicContact CE2-CG 4.28Å; F229-F241 HydrophobicContact CG-CD1 4.41Å; F229-F241 HydrophobicContact CG-CG 4.42Å
230H86.6Confident90.5Very high123 Ų12353.8 Ų53.857%0.56928%0.281SS*.  trans-104.2-7.4-173.4-66.198.2000114.6F228F228-H230 PolarHBondContact O-ND1 2.82Å
231N87.3Confident90.4Very high108 Ų10854.8 Ų54.858%0.57829%0.285SS*.SBendtrans-86.8171.7-174.7-72.1-23.6000112.2F229 V233 N237F229-N231 HydrophobicContact CE1-CB 4.32Å; F229-N231 WeakPolarHBondContact CE1-O 3.3Å; F229-N231 HydrophobicContact CE2-CB 3.86Å; F229-N231 HydrophobicContact CZ-CB 3.7Å; N231-V233 PolarHBondContact O-N 2.69Å; N231-N237 HydrophobicContact CB-CB 4.46Å
232A87.7Confident90.5Very high68 Ų6854.8 Ų54.856%0.56229%0.285SS*.  trans-61134.5170.700000110.7V234 N237A232-V234 HydrophobicContact CB-CG2 4.33Å; A232-V234 PolarHBondContact O-N 3.13Å; A232-N237 PolarHBondContact O-ND2 2.83Å
233V89.5Confident90.5Very high44 Ų4456.6 Ų56.627%0.26729%0.294SS..  trans-7392.3-176.9-172.20000110.1I177 V180 I218 F229 N231 L238I177-V233 HydrophobicContact CB-CG1 4.07Å; I177-V233 HydrophobicContact CG2-CB 3.88Å; I177-V233 HydrophobicContact CG2-CG1 3.93Å; I177-V233 HydrophobicContact CG2-CG2 3.8Å; V180-V233 HydrophobicContact CG1-CG1 4.49Å; I218-V233 HydrophobicContact CD1-CG1 3.95Å; I218-V233 HydrophobicContact CD1-CG2 4.02Å; F229-V233 HydrophobicContact CE1-CG2 3.99Å; N231-V233 PolarHBondContact O-N 2.69Å; V233-L238 HydrophobicContact CG1-CD1 3.93Å
234V91.8Very high90.6Very high74 Ų7458.5 Ų58.545%0.44831%0.311SS..  trans-137.4143.7-178.1-178.30000107.8A232 E236 N237 L238A232-V234 HydrophobicContact CB-CG2 4.33Å; A232-V234 PolarHBondContact O-N 3.13Å; V234-E236 VanDerWaalsContact C-N 3.35Å; V234-E236 PolarHBondContact O-N 2.8Å; V234-N237 HydrophobicContact CB-CB 4.41Å; V234-N237 WeakPolarHBondContact O-CB 3.45Å; V234-N237 PolarHBondContact O-N 2.78Å; V234-L238 PolarHBondContact O-N 2.91Å
235R91.3Very high90.9Very high104 Ų10458 Ų5839%0.39230%0.301SS..Hα-helixtrans-45.8-52.2-176.4173.8164.9177.9-161.7-2.3114E183 V184 E187 N237 L238 R239E183-R235 WeakPolarHBondContact OE1-CD 3.49Å; E183-R235 IonicContact OE1-CZ 3.66Å; E183-R235 IonicContact OE1-NE 3.79Å; E183-R235 IonicContact OE1-NH1 2.67Å; E183-R235 PolarHBondContact OE1-NH1 3.28Å; V184-R235 HydrophobicContact CG2-CB 3.8Å; V184-R235 HydrophobicContact CG2-CG 3.87Å; E187-R235 IonicContact OE2-CZ 2.96Å; E187-R235 IonicContact OE2-NE 2.69Å; E187-R235 PolarHBondContact OE2-NE 2.95Å; E187-R235 IonicContact OE2-NH2 3.43Å; E187-R235 PolarHBondContact OE2-NH2 3.36Å; R235-N237 PolarHBondContact O-N 3.42Å; R235-L238 PolarHBondContact O-N 3.31Å; R235-R239 VanDerWaalsContact O-CB 3.3Å; R235-R239 WeakPolarHBondContact O-CB 3.39Å; R235-R239 PolarHBondContact O-N 3.48Å
236E92Very high91.2Very high81 Ų8155.6 Ų55.638%0.37929%0.291SS..Hα-helixtrans-68.9-33.6-178.8-17459.1-165.700112.7V234 R239 Q240V234-E236 VanDerWaalsContact C-N 3.35Å; V234-E236 PolarHBondContact O-N 2.8Å; E236-R239 PolarHBondContact O-N 3.39Å; E236-R239 IonicContact OE1-NH1 2.75Å; E236-R239 PolarHBondContact OE1-NH1 3.09Å; E236-R239 IonicContact OE2-CZ 3.81Å; E236-R239 IonicContact OE2-NH1 3.95Å; E236-R239 PolarHBondContact OE2-NH1 2.99Å; E236-Q240 WeakPolarHBondContact O-CB 3.06Å; E236-Q240 VanDerWaalsContact O-CG 3.26Å; E236-Q240 WeakPolarHBondContact O-CG 3.23Å; E236-Q240 PolarHBondContact O-N 3.27Å; E236-Q240 PolarHBondContact OE1-NE2 2.92Å
237N93.4Very high91.2Very high46 Ų4655.6 Ų55.625%0.24630%0.295CS..Hα-helixtrans-67.5-41.2175.6-67.1-8.6000111.9F229 N231 A232 V234 R235 F241F229-N237 HydrophobicContact CE2-CB 4.14Å; F229-N237 HydrophobicContact CZ-CB 3.85Å; N231-N237 HydrophobicContact CB-CB 4.46Å; A232-N237 PolarHBondContact O-ND2 2.83Å; V234-N237 HydrophobicContact CB-CB 4.41Å; V234-N237 WeakPolarHBondContact O-CB 3.45Å; V234-N237 PolarHBondContact O-N 2.78Å; R235-N237 PolarHBondContact O-N 3.42Å; N237-F241 WeakPolarHBondContact O-CB 3.41Å; N237-F241 PolarHBondContact O-N 3.46Å
238L93.2Very high90.7Very high0 Ų057.7 Ų57.70%032%0.323CS..Hα-helixtrans-67.7-37.8176.7-71.9172000111.6V184 I218 F229 V233 V234 R235 F241 V242V184-L238 HydrophobicContact CB-CD1 4.31Å; V184-L238 HydrophobicContact CG1-CB 4.06Å; V184-L238 HydrophobicContact CG1-CD1 4.06Å; V184-L238 HydrophobicContact CG2-CD1 4.03Å; I218-L238 HydrophobicContact CD1-CD2 4.09Å; I218-L238 HydrophobicContact CG2-CD2 4.07Å; F229-L238 HydrophobicContact CD1-CD2 3.97Å; F229-L238 HydrophobicContact CD2-CD2 4.13Å; F229-L238 HydrophobicContact CE1-CD2 3.78Å; F229-L238 HydrophobicContact CE1-CG 4.45Å; F229-L238 HydrophobicContact CE2-CD2 3.94Å; F229-L238 HydrophobicContact CE2-CG 4.49Å; F229-L238 HydrophobicContact CG-CD2 4.12Å; F229-L238 HydrophobicContact CZ-CD2 3.75Å; F229-L238 HydrophobicContact CZ-CG 4.14Å; V233-L238 HydrophobicContact CG1-CD1 3.93Å; V234-L238 PolarHBondContact O-N 2.91Å; R235-L238 PolarHBondContact O-N 3.31Å; L238-F241 WeakPolarHBondContact O-CB 3.29Å; L238-F241 PolarHBondContact O-N 3.19Å; L238-V242 PolarHBondContact O-N 3.04Å
239R93.3Very high90.5Very high71 Ų7162.3 Ų62.327%0.26835%0.35SS..Hα-helixtrans-64.3-46.3174.9-174.9169.4172.7-87-9.8111.8E187 R235 E236 F241 V242 E243 L285E187-R239 IonicContact OE1-NE 3.3Å; E187-R239 PolarHBondContact OE1-NE 2.87Å; R235-R239 VanDerWaalsContact O-CB 3.3Å; R235-R239 WeakPolarHBondContact O-CB 3.39Å; R235-R239 PolarHBondContact O-N 3.48Å; E236-R239 PolarHBondContact O-N 3.39Å; E236-R239 IonicContact OE1-NH1 2.75Å; E236-R239 PolarHBondContact OE1-NH1 3.09Å; E236-R239 IonicContact OE2-CZ 3.81Å; E236-R239 IonicContact OE2-NH1 3.95Å; E236-R239 PolarHBondContact OE2-NH1 2.99Å; R239-F241 VanDerWaalsContact C-N 3.34Å; R239-V242 PolarHBondContact O-N 3.14Å; R239-E243 PolarHBondContact O-N 3.44Å; R239-L285 HydrophobicContact CG-CD2 4.01Å
240Q92.6Very high90.4Very high100 Ų10062.6 Ų62.647%0.46735%0.352SS..Hα-helixtrans-65.2-35.2173.6-72.3175.214.600112.5E236 E243 S244E236-Q240 WeakPolarHBondContact O-CB 3.06Å; E236-Q240 VanDerWaalsContact O-CG 3.26Å; E236-Q240 WeakPolarHBondContact O-CG 3.23Å; E236-Q240 PolarHBondContact O-N 3.27Å; E236-Q240 PolarHBondContact OE1-NE2 2.92Å; Q240-E243 PolarHBondContact O-N 3.47Å; Q240-S244 WeakPolarHBondContact O-CB 3.34Å; Q240-S244 PolarHBondContact O-N 3.02Å
241F93.9Very high90.9Very high21 Ų2157.9 Ų57.99%0.09233%0.332CS..Hα-helixtrans-62-50.8173.7173.7-113.9000111.6L163 F229 N237 L238 R239 E243 S244 L245L163-F241 HydrophobicContact CD1-CD1 3.85Å; L163-F241 HydrophobicContact CD1-CE1 3.78Å; F229-F241 HydrophobicContact CB-CD1 4.19Å; F229-F241 HydrophobicContact CB-CD2 4.45Å; F229-F241 HydrophobicContact CB-CE1 4Å; F229-F241 HydrophobicContact CB-CE2 4.26Å; F229-F241 HydrophobicContact CB-CG 4.42Å; F229-F241 HydrophobicContact CB-CZ 4.03Å; F229-F241 HydrophobicContact CD2-CB 3.62Å; F229-F241 AromaticContact CD2-CD1 3.88Å; F229-F241 HydrophobicContact CD2-CD1 3.88Å; F229-F241 AromaticContact CD2-CD2 3.9Å; F229-F241 HydrophobicContact CD2-CD2 3.9Å; F229-F241 AromaticContact CD2-CG 3.53Å; F229-F241 HydrophobicContact CD2-CG 3.53Å; F229-F241 HydrophobicContact CE2-CB 3.85Å; F229-F241 HydrophobicContact CE2-CG 4.28Å; F229-F241 HydrophobicContact CG-CD1 4.41Å; F229-F241 HydrophobicContact CG-CG 4.42Å; N237-F241 WeakPolarHBondContact O-CB 3.41Å; N237-F241 PolarHBondContact O-N 3.46Å; L238-F241 WeakPolarHBondContact O-CB 3.29Å; L238-F241 PolarHBondContact O-N 3.19Å; R239-F241 VanDerWaalsContact C-N 3.34Å; F241-E243 VanDerWaalsContact C-N 3.26Å; F241-E243 PolarHBondContact O-N 3.46Å; F241-S244 WeakPolarHBondContact CA-OG 3.23Å; F241-S244 WeakPolarHBondContact O-CA 3.17Å; F241-S244 PolarHBondContact O-N 3.03Å; F241-S244 PolarHBondContact O-OG 3.41Å; F241-L245 HydrophobicContact CE1-CD1 4.47Å; F241-L245 HydrophobicContact CE2-CD2 4.23Å; F241-L245 HydrophobicContact CZ-CD2 4.1Å; F241-L245 PolarHBondContact O-N 2.9Å; F241-L245 VanDerWaalsContact O-N 3.12Å
242V94.3Very high91.2Very high0 Ų056.4 Ų56.40%032%0.322CS..Hα-helixtrans-61.6-35.1175.9172.30000111.9P161 L163 L188 V193 L238 R239 S244 L245P161-V242 HydrophobicContact CG-CG1 4.08Å; L163-V242 HydrophobicContact CB-CG2 4.33Å; L163-V242 HydrophobicContact CD1-CG2 4.05Å; L163-V242 HydrophobicContact CD2-CG2 4.24Å; L163-V242 HydrophobicContact CG-CG2 4.44Å; L188-V242 HydrophobicContact CD1-CG2 4.04Å; V193-V242 HydrophobicContact CG1-CG1 4.22Å; V193-V242 HydrophobicContact CG2-CG1 3.92Å; L238-V242 PolarHBondContact O-N 3.04Å; R239-V242 PolarHBondContact O-N 3.14Å; V242-S244 VanDerWaalsContact C-N 3.34Å; V242-L245 PolarHBondContact O-N 3.31Å
243E93.2Very high91.4Very high51 Ų5160 Ų6024%0.23832%0.324CS..Hα-helixtrans-65.2-35.1172.1-168.2171.7149.200112.7R239 Q240 F241 L246 L285 K288R239-E243 PolarHBondContact O-N 3.44Å; Q240-E243 PolarHBondContact O-N 3.47Å; F241-E243 VanDerWaalsContact C-N 3.26Å; F241-E243 PolarHBondContact O-N 3.46Å; E243-L246 PolarHBondContact O-N 3.44Å; E243-L285 HydrophobicContact CB-CD1 3.96Å; E243-L285 HydrophobicContact CG-CD1 4.07Å; E243-K288 HydrophobicContact CG-CD 4.14Å; E243-K288 IonicContact OE1-NZ 2.69Å; E243-K288 PolarHBondContact OE1-NZ 3.25Å
244S91.6Very high91.6Very high86 Ų8658 Ų5860%0.60131%0.313SS*.Hα-helixtrans-74.8-19.5177.973.60000114.7Q240 F241 V242 L246Q240-S244 WeakPolarHBondContact O-CB 3.34Å; Q240-S244 PolarHBondContact O-N 3.02Å; F241-S244 WeakPolarHBondContact CA-OG 3.23Å; F241-S244 WeakPolarHBondContact O-CA 3.17Å; F241-S244 PolarHBondContact O-N 3.03Å; F241-S244 PolarHBondContact O-OG 3.41Å; V242-S244 VanDerWaalsContact C-N 3.34Å; S244-L246 PolarHBondContact O-N 3.2Å
245L91.3Very high91.6Very high16 Ų1656.1 Ų56.18%0.08430%0.301CS..THydrogen-bonded Turntrans-67.9-25.4170.8-60.1173.5000111.7P161 I222 F241 V242P161-L245 HydrophobicContact CB-CD1 4.15Å; I222-L245 HydrophobicContact CD1-CB 4.46Å; I222-L245 WeakPolarHBondContact CD1-O 3.35Å; I222-L245 HydrophobicContact CG2-CB 4.4Å; F241-L245 HydrophobicContact CE1-CD1 4.47Å; F241-L245 HydrophobicContact CE2-CD2 4.23Å; F241-L245 HydrophobicContact CZ-CD2 4.1Å; F241-L245 PolarHBondContact O-N 2.9Å; F241-L245 VanDerWaalsContact O-N 3.12Å; V242-L245 PolarHBondContact O-N 3.31Å
246L92.3Very high91.6Very high16 Ų1653.1 Ų53.18%0.08429%0.293CS..SBendtrans-80.1135.4-172.5-62.6179.1000111.9P161 I222 E243 S244 G248 L250 L285 K288 L289 F292P161-L246 HydrophobicContact CG-CD2 4.01Å; I222-L246 HydrophobicContact CD1-CD2 3.98Å; E243-L246 PolarHBondContact O-N 3.44Å; S244-L246 PolarHBondContact O-N 3.2Å; L246-G248 PolarHBondContact O-N 3.34Å; L246-L250 HydrophobicContact CB-CD1 4.07Å; L246-L285 HydrophobicContact CD1-CD1 4.09Å; L246-K288 HydrophobicContact CD1-CB 3.75Å; L246-L289 HydrophobicContact CD1-CD2 4.06Å; L246-L289 HydrophobicContact CD1-CG 4.35Å; L246-L289 HydrophobicContact CD2-CD2 4.25Å; L246-F292 HydrophobicContact CD2-CB 4.11Å; L246-F292 HydrophobicContact CD2-CD1 4.2Å; L246-F292 HydrophobicContact CD2-CG 4.03Å
247P88.9Confident91.4Very high48 Ų4859 Ų5931%0.31232%0.317SS..  trans-54.6129.4175.2-27.233.7000113.2N249 L250 F292P247-N249 PolarHBondContact O-N 2.92Å; P247-L250 HydrophobicContact CB-CG 4.24Å; P247-L250 VanDerWaalsContact O-CG 3.32Å; P247-L250 WeakPolarHBondContact O-CG 3.47Å; P247-L250 PolarHBondContact O-N 2.84Å; P247-F292 HydrophobicContact CG-CE2 4.36Å
248G80Confident91.4Very high88 Ų8858.2 Ų58.291%0.90731%0.313SS*.THydrogen-bonded Turntrans-65.1-12.6-172.600000115.7L246L246-G248 PolarHBondContact O-N 3.34Å
249N84.3Confident91.4Very high143 Ų14359.2 Ų59.277%0.76532%0.317SS*.THydrogen-bonded Turntrans-1009-17865.3-29.4000114.6P247 V251P247-N249 PolarHBondContact O-N 2.92Å; N249-V251 VanDerWaalsContact C-N 3.3Å; N249-V251 PolarHBondContact O-N 2.92Å
250L91Very high91.3Very high27 Ų2759.5 Ų59.514%0.14133%0.326CS..SBendtrans-64.4-25-177.6-76172.8000115.6L246 P247 A291 F292 K295L246-L250 HydrophobicContact CB-CD1 4.07Å; P247-L250 HydrophobicContact CB-CG 4.24Å; P247-L250 VanDerWaalsContact O-CG 3.32Å; P247-L250 WeakPolarHBondContact O-CG 3.47Å; P247-L250 PolarHBondContact O-N 2.84Å; L250-A291 HydrophobicContact CB-CB 4.23Å; L250-F292 HydrophobicContact CD1-CB 3.74Å; L250-F292 HydrophobicContact CD1-CD2 4.06Å; L250-F292 HydrophobicContact CD1-CG 4.32Å; L250-F292 HydrophobicContact CD2-CB 4.39Å; L250-F292 HydrophobicContact CD2-CD2 4.17Å; L250-K295 HydrophobicContact CD2-CB 4.22Å
251V95.4Very high91.3Very high23 Ų2364.2 Ų64.214%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-139.4113.5-174.7-174.70000110.6N249 V283 Y287 A291 F300N249-V251 VanDerWaalsContact C-N 3.3Å; N249-V251 PolarHBondContact O-N 2.92Å; V251-V283 HydrophobicContact CG1-CG1 4.24Å; V251-Y287 HydrophobicContact CG1-CD1 4.14Å; V251-Y287 HydrophobicContact CG1-CE1 3.79Å; V251-Y287 HydrophobicContact CG2-CD1 4.32Å; V251-Y287 HydrophobicContact CG2-CE1 4.42Å; V251-A291 HydrophobicContact CG2-CB 3.72Å; V251-F300 WeakPolarHBondContact CA-O 3.46Å; V251-F300 HydrophobicContact CG2-CB 4.18Å
252E93.9Very high91.3Very high77 Ų7763.9 Ų63.936%0.3634%0.339SS..EExtended strand (participates in β ladder)trans-74140.9175.9-170.3177.4151.800111V254 N258 F262 F300 G301 Y302E252-V254 HydrophobicContact CB-CG2 4.37Å; E252-V254 HydrophobicContact CG-CG2 4.38Å; E252-V254 PolarHBondContact O-N 3.16Å; E252-N258 PolarHBondContact OE1-ND2 3.05Å; E252-F262 HydrophobicContact CB-CD2 4.13Å; E252-F262 HydrophobicContact CB-CE2 4.2Å; E252-F300 PolarHBondContact N-O 3.24Å; E252-G301 CarbonylContact O-C 3.45Å; E252-G301 VanDerWaalsContact O-CA 3.26Å; E252-G301 WeakPolarHBondContact O-CA 3.28Å; E252-Y302 PolarHBondContact O-N 3.25Å
253K92.7Very high91.3Very high143 Ų14364 Ų6462%0.62234%0.339SS*.EExtended strand (participates in β ladder)trans-83.3112.9169.8-71.6-176.4176.5-177.80109.9N258K253-N258 PolarHBondContact O-ND2 2.88Å
254V93.4Very high91.2Very high3 Ų363.7 Ų63.72%0.01834%0.343CS..  trans-104.7138-170.6-179.60000111.7E252 F262 L275 Y302 V303 M313E252-V254 HydrophobicContact CB-CG2 4.37Å; E252-V254 HydrophobicContact CG-CG2 4.38Å; E252-V254 PolarHBondContact O-N 3.16Å; V254-F262 HydrophobicContact CG2-CB 4.26Å; V254-F262 HydrophobicContact CG2-CD1 3.98Å; V254-F262 HydrophobicContact CG2-CD2 4.2Å; V254-F262 HydrophobicContact CG2-CE1 4.41Å; V254-F262 HydrophobicContact CG2-CG 3.87Å; V254-L275 HydrophobicContact CB-CD2 4.02Å; V254-L275 HydrophobicContact CG1-CD2 4.09Å; V254-L275 HydrophobicContact CG2-CD2 3.87Å; V254-Y302 PolarHBondContact N-O 3.47Å; V254-V303 HydrophobicContact CB-CG2 4.01Å; V254-V303 HydrophobicContact CG1-CG2 4.26Å; V254-M313 HydrophobicContact CG1-CE 4Å; V254-M313 HydrophobicContact CG1-SD 4.44Å
255T92.3Very high91.1Very high35 Ų3560.2 Ų60.222%0.21532%0.32CS..  trans-141170.4-175.672.70000110.6K257 N258 Y259 L307T255-K257 PolarHBondContact O-N 3.04Å; T255-K257 PolarHBondContact OG1-N 3.14Å; T255-N258 WeakPolarHBondContact CA-OD1 3.15Å; T255-N258 WeakPolarHBondContact CB-OD1 3.43Å; T255-N258 PolarHBondContact N-OD1 2.73Å; T255-N258 PolarHBondContact O-N 3.1Å; T255-N258 VanDerWaalsContact O-N 3.13Å; T255-N258 PolarHBondContact O-OD1 3.41Å; T255-N258 PolarHBondContact OG1-OD1 3.29Å; T255-Y259 PolarHBondContact O-N 3.46Å; T255-L307 HydrophobicContact CG2-CD2 4.18Å
256N90Very high91.1Very high40 Ų4060 Ų6021%0.21432%0.318CS..THydrogen-bonded Turntrans-55.7-15174.4-61.2-10000113.9Y259 G309 T310 E312 M313N256-Y259 WeakPolarHBondContact O-CD1 3.46Å; N256-Y259 VanDerWaalsContact O-CE1 3.27Å; N256-Y259 WeakPolarHBondContact O-CE1 3.41Å; N256-G309 VanDerWaalsContact CB-O 3.3Å; N256-G309 WeakPolarHBondContact CB-O 3.23Å; N256-G309 PolarHBondContact N-O 3.39Å; N256-G309 PolarHBondContact ND2-O 2.88Å; N256-G309 PolarHBondContact OD1-O 3.39Å; N256-T310 WeakPolarHBondContact OD1-CA 3.17Å; N256-T310 PolarHBondContact OD1-O 3.43Å; N256-E312 VanDerWaalsContact ND2-CB 3.35Å; N256-E312 WeakPolarHBondContact ND2-CB 3.34Å; N256-E312 PolarHBondContact ND2-N 2.85Å; N256-M313 WeakPolarHBondContact OD1-CG 3.41Å; N256-M313 PolarHBondContact OD1-N 2.89Å
257K89.7Confident90.8Very high205 Ų20563.2 Ų63.289%0.89133%0.333SS*.THydrogen-bonded Turntrans-90-34177.9-65.9-174.2178.6-177.90114.3T255T255-K257 PolarHBondContact O-N 3.04Å; T255-K257 PolarHBondContact OG1-N 3.14Å
258N93.1Very high90.7Very high30 Ų3068.4 Ų68.416%0.1635%0.353CS..THydrogen-bonded Turntrans-110.6-12-175.459.6-38.6000114.7E252 K253 T255 V260 R261 F262E252-N258 PolarHBondContact OE1-ND2 3.05Å; K253-N258 PolarHBondContact O-ND2 2.88Å; T255-N258 WeakPolarHBondContact CA-OD1 3.15Å; T255-N258 WeakPolarHBondContact CB-OD1 3.43Å; T255-N258 PolarHBondContact N-OD1 2.73Å; T255-N258 PolarHBondContact O-N 3.1Å; T255-N258 VanDerWaalsContact O-N 3.13Å; T255-N258 PolarHBondContact O-OD1 3.41Å; T255-N258 PolarHBondContact OG1-OD1 3.29Å; N258-V260 VanDerWaalsContact C-N 3.25Å; N258-V260 PolarHBondContact O-N 3.48Å; N258-V260 VanDerWaalsContact O-N 3.14Å; N258-R261 WeakPolarHBondContact O-CA 3.33Å; N258-R261 WeakPolarHBondContact O-CB 3.16Å; N258-R261 PolarHBondContact O-N 2.66Å; N258-F262 PolarHBondContact O-N 2.98Å
259Y91.9Very high91.1Very high21 Ų2168.4 Ų68.48%0.08233%0.329CS..Hα-helixtrans-55.8-35.1-177.481.6-78.1000114.2T255 N256 L263 M313 R316T255-Y259 PolarHBondContact O-N 3.46Å; N256-Y259 WeakPolarHBondContact O-CD1 3.46Å; N256-Y259 VanDerWaalsContact O-CE1 3.27Å; N256-Y259 WeakPolarHBondContact O-CE1 3.41Å; Y259-L263 HydrophobicContact CD2-CD1 4.31Å; Y259-L263 VanDerWaalsContact O-CB 3.26Å; Y259-L263 WeakPolarHBondContact O-CB 3.42Å; Y259-L263 VanDerWaalsContact O-CG 3.29Å; Y259-L263 WeakPolarHBondContact O-CG 3.4Å; Y259-L263 PolarHBondContact O-N 2.75Å; Y259-M313 VanDerWaalsContact CB-SD 3.55Å; Y259-M313 HydrophobicContact CD1-CG 4.24Å; Y259-M313 HydrophobicContact CD1-SD 3.99Å; Y259-M313 HydrophobicContact CD2-CG 4.47Å; Y259-M313 HydrophobicContact CG-CE 4.3Å; Y259-M313 HydrophobicContact CG-CG 4.15Å; Y259-M313 HydrophobicContact CG-SD 3.76Å; Y259-R316 VanDerWaalsContact OH-CZ 3.29Å; Y259-R316 PolarHBondContact OH-NH1 3.34Å; Y259-R316 PolarHBondContact OH-NH2 3.39Å
260V91.8Very high91.4Very high76 Ų7662.5 Ų62.546%0.46130%0.298SS..Hα-helixtrans-65.6-45.1175.6-173.70000110.8N258 S264N258-V260 VanDerWaalsContact C-N 3.25Å; N258-V260 PolarHBondContact O-N 3.48Å; N258-V260 VanDerWaalsContact O-N 3.14Å; V260-S264 WeakPolarHBondContact O-CB 3.43Å; V260-S264 PolarHBondContact O-N 3.28Å; V260-S264 PolarHBondContact O-OG 2.82Å
261R93.3Very high91.5Very high200 Ų20063.5 Ų63.576%0.75530%0.301SS*.Hα-helixtrans-60.8-52177.1175.4-177.3168.8-180-3.9110.3N258 S264 G265N258-R261 WeakPolarHBondContact O-CA 3.33Å; N258-R261 WeakPolarHBondContact O-CB 3.16Å; N258-R261 PolarHBondContact O-N 2.66Å; R261-S264 PolarHBondContact O-N 3.35Å; R261-S264 PolarHBondContact O-OG 3.18Å; R261-G265 PolarHBondContact O-N 3.31Å
262F94.1Very high91.6Very high14 Ų1462.4 Ų62.46%0.06130%0.295CS..Hα-helixtrans-55.9-58.7177.7177.4-100.8000110.5E252 V254 N258 S264 G265 H273 L275E252-F262 HydrophobicContact CB-CD2 4.13Å; E252-F262 HydrophobicContact CB-CE2 4.2Å; V254-F262 HydrophobicContact CG2-CB 4.26Å; V254-F262 HydrophobicContact CG2-CD1 3.98Å; V254-F262 HydrophobicContact CG2-CD2 4.2Å; V254-F262 HydrophobicContact CG2-CE1 4.41Å; V254-F262 HydrophobicContact CG2-CG 3.87Å; N258-F262 PolarHBondContact O-N 2.98Å; F262-S264 PolarHBondContact O-N 2.94Å; F262-S264 VanDerWaalsContact O-N 3.12Å; F262-G265 PolarHBondContact O-N 3.4Å; F262-H273 AromaticContact CD1-CD2 3.99Å; F262-H273 HydrophobicContact CE1-CB 3.9Å; F262-H273 AromaticContact CE1-CD2 3.77Å; F262-H273 AromaticContact CE2-CD2 3.88Å; F262-H273 HydrophobicContact CZ-CB 4.26Å; F262-H273 AromaticContact CZ-CD2 3.71Å; F262-H273 PolarHBondContact O-CD2 3.13Å; F262-H273 PolarHBondContact O-NE2 2.93Å; F262-H273 VanDerWaalsContact O-NE2 3.12Å; F262-L275 HydrophobicContact CD1-CD2 3.79Å; F262-L275 HydrophobicContact CD1-CG 4.5Å; F262-L275 HydrophobicContact CE1-CD2 3.41Å; F262-L275 VanDerWaalsContact CE1-CD2 3.41Å; F262-L275 HydrophobicContact CE1-CG 4.07Å; F262-L275 HydrophobicContact CZ-CD2 4.27Å
263L93.1Very high91.7Very high1 Ų158.9 Ų58.91%0.00528%0.278CS..Hα-helixtrans-68-13.9-177.8-62.7-179.6000114.3Y259 H273 L275 F329 I333Y259-L263 HydrophobicContact CD2-CD1 4.31Å; Y259-L263 VanDerWaalsContact O-CB 3.26Å; Y259-L263 WeakPolarHBondContact O-CB 3.42Å; Y259-L263 VanDerWaalsContact O-CG 3.29Å; Y259-L263 WeakPolarHBondContact O-CG 3.4Å; Y259-L263 PolarHBondContact O-N 2.75Å; L263-H273 HydrophobicContact CD2-CB 3.78Å; L263-L275 HydrophobicContact CD1-CD1 4.15Å; L263-L275 HydrophobicContact CD2-CD1 4.09Å; L263-L275 HydrophobicContact CD2-CG 4.24Å; L263-L275 HydrophobicContact CG-CD1 4.4Å; L263-F329 HydrophobicContact CD1-CD1 4.15Å; L263-F329 HydrophobicContact CD1-CD2 4.08Å; L263-F329 HydrophobicContact CD1-CE1 4.2Å; L263-F329 HydrophobicContact CD1-CE2 4.13Å; L263-F329 HydrophobicContact CD1-CG 4.09Å; L263-F329 HydrophobicContact CD1-CZ 4.19Å; L263-F329 HydrophobicContact CD2-CB 3.9Å; L263-F329 HydrophobicContact CD2-CD2 3.59Å; L263-F329 HydrophobicContact CD2-CE2 4.29Å; L263-F329 HydrophobicContact CD2-CG 3.78Å; L263-I333 HydrophobicContact CB-CB 4.41Å; L263-I333 HydrophobicContact CB-CD1 4.23Å; L263-I333 HydrophobicContact CB-CG1 4Å; L263-I333 HydrophobicContact CB-CG2 3.78Å; L263-I333 HydrophobicContact CD1-CG2 3.86Å; L263-I333 HydrophobicContact CG-CG2 4.48Å; L263-I333 WeakPolarHBondContact O-CD1 3.28Å; L263-I333 WeakPolarHBondContact O-CG1 3.46Å
264S90.6Very high91.9Very high46 Ų4652 Ų5232%0.32225%0.248SC..Hα-helixtrans-87.6-8.6169.270.70000114.2V260 R261 F262 W266 Q267V260-S264 WeakPolarHBondContact O-CB 3.43Å; V260-S264 PolarHBondContact O-N 3.28Å; V260-S264 PolarHBondContact O-OG 2.82Å; R261-S264 PolarHBondContact O-N 3.35Å; R261-S264 PolarHBondContact O-OG 3.18Å; F262-S264 PolarHBondContact O-N 2.94Å; F262-S264 VanDerWaalsContact O-N 3.12Å; S264-W266 PolarHBondContact O-N 2.73Å; S264-W266 VanDerWaalsContact O-N 3.13Å; S264-Q267 PolarHBondContact O-N 3.02Å
265G90.1Very high92Very high12 Ų1251.9 Ų51.912%0.12425%0.247CC..THydrogen-bonded Turntrans-59.8-22.4-179.700000114.1R261 F262 Q267 Q268 E269R261-G265 PolarHBondContact O-N 3.31Å; F262-G265 PolarHBondContact O-N 3.4Å; G265-Q267 PolarHBondContact O-N 2.75Å; G265-Q268 PolarHBondContact O-N 2.99Å; G265-E269 PolarHBondContact O-N 3.36Å
266W90.8Very high92.1Very high12 Ų1250.8 Ų50.85%0.04524%0.24CC..Hα-helixtrans-53-30.8178.973.8-109.5000113.6S264 N270 K271 H273 E331 L360 L398 F402S264-W266 PolarHBondContact O-N 2.73Å; S264-W266 VanDerWaalsContact O-N 3.13Å; W266-N270 VanDerWaalsContact O-CA 3.23Å; W266-N270 WeakPolarHBondContact O-CA 3.45Å; W266-N270 PolarHBondContact O-N 2.88Å; W266-K271 VanDerWaalsContact CB-O 3.3Å; W266-K271 WeakPolarHBondContact CB-O 3.42Å; W266-H273 PolarHBondContact N-CE1 3.07Å; W266-H273 VanDerWaalsContact N-CE1 3.27Å; W266-E331 HydrophobicContact CD2-CB 4.35Å; W266-E331 HydrophobicContact CD2-CG 4.15Å; W266-E331 HydrophobicContact CE3-CG 3.97Å; W266-E331 HydrophobicContact CH2-CB 4Å; W266-E331 HydrophobicContact CH2-CG 3.84Å; W266-E331 HydrophobicContact CZ2-CB 3.68Å; W266-E331 HydrophobicContact CZ2-CG 3.99Å; W266-E331 HydrophobicContact CZ3-CB 4.45Å; W266-E331 HydrophobicContact CZ3-CG 3.82Å; W266-E331 PolarHBondContact NE1-O 2.88Å; W266-E331 VanDerWaalsContact NE1-O 3.07Å; W266-L360 HydrophobicContact CB-CD1 4.43Å; W266-L360 HydrophobicContact CB-CD2 4.3Å; W266-L360 HydrophobicContact CE3-CD1 4.09Å; W266-L398 HydrophobicContact CH2-CD1 3.81Å; W266-L398 HydrophobicContact CZ2-CD1 4.13Å; W266-F402 AromaticContact CH2-CE1 3.98Å; W266-F402 HydrophobicContact CH2-CE1 3.98Å; W266-F402 HydrophobicContact CH2-CZ 4.23Å; W266-F402 HydrophobicContact CZ3-CZ 4.41Å
267Q87.1Confident92.3Very high83 Ų8349 Ų4939%0.38823%0.23SC..Hα-helixtrans-66-38.5179.5-65.5-175.5-10.600112.2S264 G265 R364S264-Q267 PolarHBondContact O-N 3.02Å; G265-Q267 PolarHBondContact O-N 2.75Å; Q267-R364 PolarHBondContact O-NH2 3.19Å
268Q86.3Confident92.5Very high158 Ų15840 Ų4074%0.73819%0.192SC*.Hα-helixtrans-85.3-49-179.5-63.3-178.6-4.500110.5G265 R364G265-Q268 PolarHBondContact O-N 2.99Å; Q268-R364 PolarHBondContact O-NH2 2.82Å
269E87.7Confident92.4Very high87 Ų8743.6 Ų43.641%0.40721%0.208SC..Hα-helixtrans-82.5-18.4-172.2-60.2-174177.100114.4G265 K271 H273 S299G265-E269 PolarHBondContact O-N 3.36Å; E269-K271 VanDerWaalsContact C-N 3.31Å; E269-K271 HydrophobicContact CB-CB 4.44Å; E269-K271 HydrophobicContact CB-CD 4.36Å; E269-K271 HydrophobicContact CB-CG 4.4Å; E269-K271 WeakPolarHBondContact O-CG 3.5Å; E269-K271 PolarHBondContact O-N 3.46Å; E269-H273 IonicContact OE2-CE1 2.84Å; E269-H273 IonicContact OE2-NE2 3.82Å; E269-S299 WeakPolarHBondContact OE2-CB 3.26Å; E269-S299 PolarHBondContact OE2-OG 3.05Å
270N92.1Very high92.3Very high19 Ų1945.2 Ų45.210%0.10222%0.22CC..  trans62.728.8-175.6-164.430.5000114.6W266 R364 T366 L370 L505W266-N270 VanDerWaalsContact O-CA 3.23Å; W266-N270 WeakPolarHBondContact O-CA 3.45Å; W266-N270 PolarHBondContact O-N 2.88Å; N270-R364 PolarHBondContact ND2-O 2.82Å; N270-R364 WeakPolarHBondContact OD1-CB 3.37Å; N270-R364 PolarHBondContact OD1-N 3.14Å; N270-T366 HydrophobicContact CB-CG2 4.43Å; N270-T366 PolarHBondContact ND2-OG1 3.23Å; N270-L370 VanDerWaalsContact ND2-CD2 3.33Å; N270-L370 WeakPolarHBondContact ND2-CD2 3.45Å; N270-L505 HydrophobicContact CB-CD1 4.4Å
271K93.3Very high92.1Very high48 Ų4845.4 Ų45.421%0.20922%0.223CC..  trans-123.1142.4-173.2-67175.9-171.1179.20113.1W266 E269 H273 K295 D296 Y297 S299W266-K271 VanDerWaalsContact CB-O 3.3Å; W266-K271 WeakPolarHBondContact CB-O 3.42Å; E269-K271 VanDerWaalsContact C-N 3.31Å; E269-K271 HydrophobicContact CB-CB 4.44Å; E269-K271 HydrophobicContact CB-CD 4.36Å; E269-K271 HydrophobicContact CB-CG 4.4Å; E269-K271 WeakPolarHBondContact O-CG 3.5Å; E269-K271 PolarHBondContact O-N 3.46Å; K271-H273 PolarHBondContact O-CE1 2.54Å; K271-H273 PolarHBondContact O-ND1 3.44Å; K271-K295 PolarHBondContact NZ-O 3.44Å; K271-D296 WeakPolarHBondContact CE-O 3.42Å; K271-Y297 WeakPolarHBondContact CB-O 3.29Å; K271-Y297 WeakPolarHBondContact CG-O 3.33Å; K271-S299 WeakPolarHBondContact CD-OG 3.36Å
272P95.9Very high92Very high1 Ų141.6 Ų41.61%0.00622%0.216CC..  trans-59.7149.2160.4-20.534.2000111.3Y297 L298 S299 I328 F329 K330 Y359 L360P272-Y297 VanDerWaalsContact CD-O 3.28Å; P272-Y297 WeakPolarHBondContact CD-O 3.48Å; P272-L298 HydrophobicContact CB-CD2 4.11Å; P272-L298 HydrophobicContact CB-CG 4.35Å; P272-L298 WeakPolarHBondContact O-CA 3.32Å; P272-S299 PolarHBondContact O-N 3.43Å; P272-I328 HydrophobicContact CB-CG2 4.18Å; P272-F329 CarbonylContact C-O 3.6Å; P272-F329 WeakPolarHBondContact CA-O 3.13Å; P272-K330 HydrophobicContact CB-CG 4.24Å; P272-K330 HydrophobicContact CG-CG 4.48Å; P272-Y359 VanDerWaalsContact CG-C 3.44Å; P272-L360 HydrophobicContact CB-CD2 4.38Å; P272-L360 HydrophobicContact CG-CD2 4.03Å; P272-L360 HydrophobicContact CG-CG 4.23Å
273H96.1Very high91.9Very high2 Ų241.5 Ų41.51%0.00922%0.217CC..EExtended strand (participates in β ladder)trans-113.9126.2-176.7-76.352.1000110.5F262 L263 W266 E269 K271 S299 F329F262-H273 AromaticContact CD1-CD2 3.99Å; F262-H273 HydrophobicContact CE1-CB 3.9Å; F262-H273 AromaticContact CE1-CD2 3.77Å; F262-H273 AromaticContact CE2-CD2 3.88Å; F262-H273 HydrophobicContact CZ-CB 4.26Å; F262-H273 AromaticContact CZ-CD2 3.71Å; F262-H273 PolarHBondContact O-CD2 3.13Å; F262-H273 PolarHBondContact O-NE2 2.93Å; F262-H273 VanDerWaalsContact O-NE2 3.12Å; L263-H273 HydrophobicContact CD2-CB 3.78Å; W266-H273 PolarHBondContact N-CE1 3.07Å; W266-H273 VanDerWaalsContact N-CE1 3.27Å; E269-H273 IonicContact OE2-CE1 2.84Å; E269-H273 IonicContact OE2-NE2 3.82Å; K271-H273 PolarHBondContact O-CE1 2.54Å; K271-H273 PolarHBondContact O-ND1 3.44Å; H273-S299 CarbonylContact C-O 3.5Å; H273-S299 WeakPolarHBondContact CA-O 3.29Å; H273-F329 PolarHBondContact N-O 3.43Å; H273-F329 PolarHBondContact O-N 3.27Å
274V96.6Very high91.9Very high0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-105.6132-175.2-169.20000109.4Y287 L298 S299 F300 G301 L326 L327 I328V274-Y287 HydrophobicContact CG1-CE2 4.37Å; V274-Y287 PolarHBondContact O-OH 2.88Å; V274-L298 HydrophobicContact CG2-CB 3.98Å; V274-L298 HydrophobicContact CG2-CD2 3.49Å; V274-L298 VanDerWaalsContact CG2-CD2 3.49Å; V274-L298 HydrophobicContact CG2-CG 4.38Å; V274-S299 PolarHBondContact N-O 3.48Å; V274-F300 HydrophobicContact CB-CD1 3.98Å; V274-F300 HydrophobicContact CB-CE1 4.19Å; V274-F300 HydrophobicContact CG1-CD1 4.28Å; V274-F300 HydrophobicContact CG1-CE1 4.32Å; V274-F300 HydrophobicContact CG2-CD1 4.23Å; V274-F300 HydrophobicContact CG2-CE1 4.03Å; V274-F300 HydrophobicContact CG2-CZ 4.3Å; V274-G301 PolarHBondContact O-N 3.13Å; V274-L326 HydrophobicContact CG1-CD1 3.48Å; V274-L326 VanDerWaalsContact CG1-CD1 3.48Å; V274-L326 HydrophobicContact CG1-CG 4.04Å; V274-L327 WeakPolarHBondContact CA-O 3.47Å; V274-I328 HydrophobicContact CG1-CG1 4.26Å; V274-I328 HydrophobicContact CG2-CG1 4.26Å
275L95.9Very high92Very high0 Ų041.8 Ų41.80%022%0.217CC..EExtended strand (participates in β ladder)trans-120.7115.2173-70.3-176.3000111.1V254 F262 L263 F277 G301 V303 M313 L327 F329V254-L275 HydrophobicContact CB-CD2 4.02Å; V254-L275 HydrophobicContact CG1-CD2 4.09Å; V254-L275 HydrophobicContact CG2-CD2 3.87Å; F262-L275 HydrophobicContact CD1-CD2 3.79Å; F262-L275 HydrophobicContact CD1-CG 4.5Å; F262-L275 HydrophobicContact CE1-CD2 3.41Å; F262-L275 VanDerWaalsContact CE1-CD2 3.41Å; F262-L275 HydrophobicContact CE1-CG 4.07Å; F262-L275 HydrophobicContact CZ-CD2 4.27Å; L263-L275 HydrophobicContact CD1-CD1 4.15Å; L263-L275 HydrophobicContact CD2-CD1 4.09Å; L263-L275 HydrophobicContact CD2-CG 4.24Å; L263-L275 HydrophobicContact CG-CD1 4.4Å; L275-F277 HydrophobicContact CB-CD2 4.26Å; L275-F277 HydrophobicContact CB-CE2 3.68Å; L275-F277 HydrophobicContact CD1-CE2 4.2Å; L275-F277 HydrophobicContact CD1-CZ 4.27Å; L275-G301 WeakPolarHBondContact CA-O 3.5Å; L275-V303 HydrophobicContact CD1-CG2 4.41Å; L275-V303 HydrophobicContact CD2-CG2 4.2Å; L275-M313 HydrophobicContact CD1-CE 3.89Å; L275-L327 PolarHBondContact N-O 2.88Å; L275-L327 PolarHBondContact O-N 3.39Å; L275-F329 HydrophobicContact CB-CE2 4.41Å; L275-F329 HydrophobicContact CD1-CD2 4.4Å; L275-F329 HydrophobicContact CD1-CE2 3.87Å; L275-F329 HydrophobicContact CG-CD2 4.48Å; L275-F329 HydrophobicContact CG-CE2 4.27Å
276L95.4Very high92.2Very high12 Ų1242.5 Ų42.56%0.06322%0.218CC..EExtended strand (participates in β ladder)trans-89.5121165.617859.1000109.8Y287 G301 Y302 V303 P324 L326 M345L276-Y287 HydrophobicContact CB-CD1 4.14Å; L276-Y287 HydrophobicContact CB-CD2 4.25Å; L276-Y287 HydrophobicContact CB-CE1 3.67Å; L276-Y287 HydrophobicContact CB-CE2 3.81Å; L276-Y287 HydrophobicContact CB-CG 4.4Å; L276-Y287 VanDerWaalsContact CB-CZ 3.49Å; L276-Y287 HydrophobicContact CD2-CD1 3.8Å; L276-Y287 HydrophobicContact CD2-CD2 3.84Å; L276-Y287 HydrophobicContact CD2-CE1 4.23Å; L276-Y287 HydrophobicContact CD2-CE2 4.28Å; L276-Y287 HydrophobicContact CD2-CG 3.58Å; L276-Y287 PolarHBondContact N-OH 2.87Å; L276-G301 PolarHBondContact N-O 2.88Å; L276-Y302 HydrophobicContact CB-CD2 4.12Å; L276-Y302 HydrophobicContact CD2-CD2 4.03Å; L276-Y302 HydrophobicContact CD2-CE2 3.86Å; L276-Y302 HydrophobicContact CG-CD2 4.12Å; L276-Y302 HydrophobicContact CG-CE2 4.06Å; L276-V303 PolarHBondContact O-N 3Å; L276-P324 HydrophobicContact CD1-CB 4.19Å; L276-L326 HydrophobicContact CB-CD1 3.82Å; L276-L326 HydrophobicContact CD1-CB 4.45Å; L276-L326 HydrophobicContact CD1-CD1 4.22Å; L276-M345 HydrophobicContact CD1-CE 4.46Å
277F94.3Very high92.4Very high1 Ų142.2 Ų42.20%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-99.2124.1170.1-67-108.2000108.7L275 V303 V305 M313 Y317 I319 P324 T325 L327L275-F277 HydrophobicContact CB-CD2 4.26Å; L275-F277 HydrophobicContact CB-CE2 3.68Å; L275-F277 HydrophobicContact CD1-CE2 4.2Å; L275-F277 HydrophobicContact CD1-CZ 4.27Å; F277-V303 WeakPolarHBondContact CA-O 3.42Å; F277-V303 HydrophobicContact CD1-CB 3.7Å; F277-V303 HydrophobicContact CD1-CG1 3.65Å; F277-V303 HydrophobicContact CD1-CG2 4.21Å; F277-V303 HydrophobicContact CE1-CB 3.92Å; F277-V303 HydrophobicContact CE1-CG1 3.69Å; F277-V303 HydrophobicContact CE1-CG2 3.98Å; F277-V303 HydrophobicContact CE2-CG2 4.29Å; F277-V303 HydrophobicContact CG-CB 4.05Å; F277-V303 HydrophobicContact CG-CG1 4.47Å; F277-V303 HydrophobicContact CG-CG2 4.48Å; F277-V303 HydrophobicContact CZ-CB 4.41Å; F277-V303 HydrophobicContact CZ-CG2 4.02Å; F277-V305 HydrophobicContact CB-CG2 3.91Å; F277-V305 HydrophobicContact CD1-CG2 4.26Å; F277-M313 HydrophobicContact CE1-CB 4.17Å; F277-M313 HydrophobicContact CE1-CE 4.08Å; F277-M313 HydrophobicContact CZ-CE 3.82Å; F277-Y317 HydrophobicContact CZ-CD2 4.24Å; F277-I319 HydrophobicContact CB-CG2 3.75Å; F277-I319 HydrophobicContact CD1-CB 4.43Å; F277-I319 HydrophobicContact CD1-CG1 3.95Å; F277-I319 HydrophobicContact CD1-CG2 4.04Å; F277-I319 HydrophobicContact CD2-CD1 4.34Å; F277-I319 HydrophobicContact CD2-CG1 4.46Å; F277-I319 HydrophobicContact CE1-CG1 4.05Å; F277-I319 HydrophobicContact CG-CD1 4.43Å; F277-I319 HydrophobicContact CG-CG1 4.16Å; F277-I319 HydrophobicContact CG-CG2 4Å; F277-I319 HydrophobicContact CZ-CG1 4.37Å; F277-P324 CarbonylContact O-C 3.6Å; F277-P324 VanDerWaalsContact O-CA 3.26Å; F277-P324 WeakPolarHBondContact O-CA 3.48Å; F277-T325 PolarHBondContact N-O 3.19Å; F277-T325 PolarHBondContact O-N 3.43Å; F277-L327 HydrophobicContact CD2-CD1 4.33Å; F277-L327 HydrophobicContact CD2-CG 4.22Å; F277-L327 HydrophobicContact CE2-CD1 3.54Å; F277-L327 HydrophobicContact CE2-CG 3.85Å; F277-L327 HydrophobicContact CZ-CD1 4.11Å
278D93.2Very high92.8Very high16 Ų1640.7 Ų40.79%0.08621%0.209CC..EExtended strand (participates in β ladder)trans-148.8161.4175.6-172.731.9000112.6T280 Y302 V303 V305 P324D278-T280 VanDerWaalsContact C-N 3.33Å; D278-T280 WeakPolarHBondContact OD2-CB 3.44Å; D278-T280 WeakPolarHBondContact OD2-CG2 3.34Å; D278-T280 PolarHBondContact OD2-N 2.81Å; D278-T280 PolarHBondContact OD2-OG1 3.19Å; D278-Y302 HydrophobicContact CB-CE2 4.31Å; D278-V303 PolarHBondContact N-O 2.82Å; D278-V305 PolarHBondContact O-N 3.41Å; D278-P324 HydrophobicContact CB-CB 4.16Å
279Q90.6Very high93.2Very high107 Ų10733.4 Ų33.450%0.518%0.175SC..SBendtrans-83.7-2.3177.462.8173.4900113.6Y304Q279-Y304 WeakPolarHBondContact O-CE2 3.47Å
280T90.6Very high93.5Very high54 Ų5429.2 Ų29.233%0.33116%0.156SC..  trans-91.3139175.263.80000111.4D278 I282 Y302 Y304D278-T280 VanDerWaalsContact C-N 3.33Å; D278-T280 WeakPolarHBondContact OD2-CB 3.44Å; D278-T280 WeakPolarHBondContact OD2-CG2 3.34Å; D278-T280 PolarHBondContact OD2-N 2.81Å; D278-T280 PolarHBondContact OD2-OG1 3.19Å; T280-I282 VanDerWaalsContact C-N 3.33Å; T280-I282 PolarHBondContact OG1-O 3.43Å; T280-Y302 PolarHBondContact O-OH 2.95Å; T280-Y302 PolarHBondContact OG1-OH 2.74Å; T280-Y304 WeakPolarHBondContact O-CD2 3.32Å
281P88Confident93.7Very high80 Ų8028.3 Ų28.352%0.51915%0.151SC..SBendtrans-81.2-13-18031.8-35.4000113.7Y304P281-Y304 HydrophobicContact CB-CD1 4.29Å; P281-Y304 HydrophobicContact CB-CE1 4.15Å; P281-Y304 HydrophobicContact CB-CE2 4.38Å
282I89.9Confident93.8Very high120 Ų12026.1 Ų26.162%0.61514%0.141SC*.SBendtrans-104.7131178.1-60.5171.9000107.8T280 P284 Y302T280-I282 VanDerWaalsContact C-N 3.33Å; T280-I282 PolarHBondContact OG1-O 3.43Å; I282-P284 WeakPolarHBondContact O-CD 3.37Å; I282-Y302 PolarHBondContact O-OH 3.43Å
283V92.9Very high93.7Very high12 Ų1227.6 Ų27.67%0.07315%0.153CC..  trans-66122.4178.5-173.70000109.6V251 Y287 K288 Y302V251-V283 HydrophobicContact CG1-CG1 4.24Å; V283-Y287 HydrophobicContact CG1-CD1 3.78Å; V283-K288 HydrophobicContact CG1-CG 4.03Å; V283-Y302 HydrophobicContact CB-CD2 4.38Å; V283-Y302 HydrophobicContact CB-CG 4.44Å; V283-Y302 HydrophobicContact CG1-CD2 3.93Å; V283-Y302 HydrophobicContact CG1-CE2 4.34Å; V283-Y302 HydrophobicContact CG1-CG 4.27Å; V283-Y302 HydrophobicContact CG2-CD1 3.8Å; V283-Y302 HydrophobicContact CG2-CD2 4.17Å; V283-Y302 HydrophobicContact CG2-CE1 4.24Å; V283-Y302 HydrophobicContact CG2-CG 3.74Å
284P92.9Very high93.6Very high46 Ų4629.5 Ų29.530%0.29916%0.16SC..  trans-58.3137.8-179.3-26.835.3000113.1I282 L286 Y287 K288I282-P284 WeakPolarHBondContact O-CD 3.37Å; P284-L286 PolarHBondContact O-N 3.22Å; P284-Y287 WeakPolarHBondContact O-CB 3.2Å; P284-Y287 PolarHBondContact O-N 2.89Å; P284-K288 PolarHBondContact O-N 3.24Å
285L92.7Very high93.4Very high7 Ų732.2 Ų32.24%0.03717%0.172CC..Hα-helixtrans-55.1-37.8180-179.858.7000112.5L188 L191 R239 E243 L246 Y287 K288 L289L188-L285 HydrophobicContact CD2-CD2 4.33Å; L191-L285 HydrophobicContact CD1-CD2 4.05Å; L191-L285 HydrophobicContact CD1-CG 4.33Å; R239-L285 HydrophobicContact CG-CD2 4.01Å; E243-L285 HydrophobicContact CB-CD1 3.96Å; E243-L285 HydrophobicContact CG-CD1 4.07Å; L246-L285 HydrophobicContact CD1-CD1 4.09Å; L285-Y287 VanDerWaalsContact C-N 3.28Å; L285-Y287 PolarHBondContact O-N 2.69Å; L285-K288 PolarHBondContact O-N 2.9Å; L285-L289 HydrophobicContact CD1-CD1 4.25Å; L285-L289 HydrophobicContact CD1-CG 4.19Å; L285-L289 HydrophobicContact CG-CD1 3.89Å; L285-L289 HydrophobicContact CG-CG 4.34Å; L285-L289 WeakPolarHBondContact O-CG 3.23Å; L285-L289 PolarHBondContact O-N 3.4Å
286L93.9Very high93.1Very high28 Ų2836.7 Ų36.715%0.14720%0.196CC..Hα-helixtrans-52.3-46.1172.9-177.152.4000112.1L191 P284 L289 T290 M345 K347 I350L191-L286 HydrophobicContact CD2-CB 3.8Å; L191-L286 HydrophobicContact CD2-CD1 3.9Å; L191-L286 HydrophobicContact CD2-CD2 4.4Å; L191-L286 HydrophobicContact CD2-CG 4.23Å; P284-L286 PolarHBondContact O-N 3.22Å; L286-L289 PolarHBondContact O-N 3Å; L286-T290 HydrophobicContact CD1-CG2 4.49Å; L286-T290 PolarHBondContact O-N 3.43Å; L286-T290 PolarHBondContact O-OG1 3.47Å; L286-M345 WeakPolarHBondContact CD2-O 3.14Å; L286-K347 HydrophobicContact CD1-CB 3.89Å; L286-K347 HydrophobicContact CD1-CD 4.29Å; L286-K347 HydrophobicContact CD1-CG 4.25Å; L286-I350 HydrophobicContact CD2-CD1 3.71Å; L286-I350 HydrophobicContact CG-CD1 4.06Å
287Y94.8Very high92.9Very high5 Ų538.7 Ų38.72%0.0220%0.203CC..Hα-helixtrans-70.4-34.3-177.8-168.2-122.3000112.1V251 V274 L276 V283 P284 L285 T290 A291 F300 G301 Y302 L326V251-Y287 HydrophobicContact CG1-CD1 4.14Å; V251-Y287 HydrophobicContact CG1-CE1 3.79Å; V251-Y287 HydrophobicContact CG2-CD1 4.32Å; V251-Y287 HydrophobicContact CG2-CE1 4.42Å; V274-Y287 HydrophobicContact CG1-CE2 4.37Å; V274-Y287 PolarHBondContact O-OH 2.88Å; L276-Y287 HydrophobicContact CB-CD1 4.14Å; L276-Y287 HydrophobicContact CB-CD2 4.25Å; L276-Y287 HydrophobicContact CB-CE1 3.67Å; L276-Y287 HydrophobicContact CB-CE2 3.81Å; L276-Y287 HydrophobicContact CB-CG 4.4Å; L276-Y287 VanDerWaalsContact CB-CZ 3.49Å; L276-Y287 HydrophobicContact CD2-CD1 3.8Å; L276-Y287 HydrophobicContact CD2-CD2 3.84Å; L276-Y287 HydrophobicContact CD2-CE1 4.23Å; L276-Y287 HydrophobicContact CD2-CE2 4.28Å; L276-Y287 HydrophobicContact CD2-CG 3.58Å; L276-Y287 PolarHBondContact N-OH 2.87Å; V283-Y287 HydrophobicContact CG1-CD1 3.78Å; P284-Y287 WeakPolarHBondContact O-CB 3.2Å; P284-Y287 PolarHBondContact O-N 2.89Å; L285-Y287 VanDerWaalsContact C-N 3.28Å; L285-Y287 PolarHBondContact O-N 2.69Å; Y287-T290 WeakPolarHBondContact CA-OG1 3.46Å; Y287-T290 PolarHBondContact O-OG1 2.99Å; Y287-A291 VanDerWaalsContact O-CB 3.27Å; Y287-A291 WeakPolarHBondContact O-CB 3.43Å; Y287-A291 PolarHBondContact O-N 3.36Å; Y287-F300 HydrophobicContact CD2-CD1 4.48Å; Y287-F300 AromaticContact CE2-CD1 3.69Å; Y287-F300 HydrophobicContact CE2-CD1 3.69Å; Y287-F300 HydrophobicContact CE2-CE1 4.2Å; Y287-F300 AromaticContact CZ-CD1 3.72Å; Y287-G301 PolarHBondContact OH-O 3.44Å; Y287-Y302 HydrophobicContact CD1-CD2 4.22Å; Y287-Y302 HydrophobicContact CE1-CD2 4.33Å; Y287-L326 HydrophobicContact CE2-CD1 3.68Å
288K95Very high92.9Very high52 Ų5238.8 Ų38.823%0.22620%0.204CC..Hα-helixtrans-65.9-40.6171.8-61.4-174.2174.1-170.20112E243 L246 V283 P284 L285 A291 F292E243-K288 HydrophobicContact CG-CD 4.14Å; E243-K288 IonicContact OE1-NZ 2.69Å; E243-K288 PolarHBondContact OE1-NZ 3.25Å; L246-K288 HydrophobicContact CD1-CB 3.75Å; V283-K288 HydrophobicContact CG1-CG 4.03Å; P284-K288 PolarHBondContact O-N 3.24Å; L285-K288 PolarHBondContact O-N 2.9Å; K288-A291 PolarHBondContact O-N 2.76Å; K288-F292 PolarHBondContact O-N 3.25Å
289L95.3Very high93Very high4 Ų438.7 Ų38.72%0.02121%0.205CC..Hα-helixtrans-67.6-40.7177.4-70.5166.4000111.8P161 L191 V193 L246 L285 L286 F292 A293P161-L289 HydrophobicContact CG-CD2 3.47Å; P161-L289 VanDerWaalsContact CG-CD2 3.47Å; L191-L289 HydrophobicContact CB-CD1 3.76Å; L191-L289 HydrophobicContact CD1-CD1 4.49Å; V193-L289 HydrophobicContact CG2-CD1 3.78Å; V193-L289 HydrophobicContact CG2-CD2 4.08Å; L246-L289 HydrophobicContact CD1-CD2 4.06Å; L246-L289 HydrophobicContact CD1-CG 4.35Å; L246-L289 HydrophobicContact CD2-CD2 4.25Å; L285-L289 HydrophobicContact CD1-CD1 4.25Å; L285-L289 HydrophobicContact CD1-CG 4.19Å; L285-L289 HydrophobicContact CG-CD1 3.89Å; L285-L289 HydrophobicContact CG-CG 4.34Å; L285-L289 WeakPolarHBondContact O-CG 3.23Å; L285-L289 PolarHBondContact O-N 3.4Å; L286-L289 PolarHBondContact O-N 3Å; L289-F292 PolarHBondContact O-N 3.07Å; L289-A293 PolarHBondContact O-N 2.93Å
290T94.8Very high93.3Very high0 Ų034 Ų340%018%0.183CC..Hα-helixtrans-66.6-37.7171.653.70000111.8L286 Y287 F292 A293 Y294 I350L286-T290 HydrophobicContact CD1-CG2 4.49Å; L286-T290 PolarHBondContact O-N 3.43Å; L286-T290 PolarHBondContact O-OG1 3.47Å; Y287-T290 WeakPolarHBondContact CA-OG1 3.46Å; Y287-T290 PolarHBondContact O-OG1 2.99Å; T290-F292 VanDerWaalsContact C-N 3.34Å; T290-F292 PolarHBondContact O-N 2.83Å; T290-A293 PolarHBondContact O-N 3.27Å; T290-Y294 WeakPolarHBondContact O-CD2 3.39Å; T290-Y294 PolarHBondContact O-N 3.4Å; T290-I350 HydrophobicContact CG2-CG2 3.99Å
291A95.4Very high93.6Very high0 Ų031.5 Ų31.50%017%0.167CC..Hα-helixtrans-63.3-38.3175.100000112.2L250 V251 Y287 K288 K295 F300L250-A291 HydrophobicContact CB-CB 4.23Å; V251-A291 HydrophobicContact CG2-CB 3.72Å; Y287-A291 VanDerWaalsContact O-CB 3.27Å; Y287-A291 WeakPolarHBondContact O-CB 3.43Å; Y287-A291 PolarHBondContact O-N 3.36Å; K288-A291 PolarHBondContact O-N 2.76Å; A291-K295 WeakPolarHBondContact O-CA 3.45Å; A291-K295 WeakPolarHBondContact O-CB 3.34Å; A291-K295 PolarHBondContact O-N 3.23Å; A291-F300 HydrophobicContact CB-CB 3.84Å; A291-F300 HydrophobicContact CB-CD1 3.99Å; A291-F300 HydrophobicContact CB-CD2 3.76Å; A291-F300 HydrophobicContact CB-CE2 4.32Å; A291-F300 HydrophobicContact CB-CG 3.58Å
292F95.3Very high94Very high2 Ų227.9 Ų27.91%0.00914%0.143CC..Hα-helixtrans-65.6-45.2173.1-172.4-117.5000112.2F158 K159 I222 L246 P247 L250 K288 L289 T290 Y294 K295F158-F292 WeakPolarHBondContact O-CZ 3.41Å; K159-F292 VanDerWaalsContact C-CD1 3.43Å; K159-F292 VanDerWaalsContact C-CE1 3.43Å; K159-F292 WeakPolarHBondContact O-CD1 3.41Å; I222-F292 HydrophobicContact CD1-CD1 4.41Å; I222-F292 HydrophobicContact CD1-CD2 4.4Å; I222-F292 HydrophobicContact CD1-CE1 3.81Å; I222-F292 HydrophobicContact CD1-CE2 3.79Å; I222-F292 HydrophobicContact CD1-CZ 3.48Å; I222-F292 VanDerWaalsContact CD1-CZ 3.48Å; I222-F292 HydrophobicContact CG1-CE1 3.73Å; I222-F292 HydrophobicContact CG1-CE2 4.16Å; I222-F292 HydrophobicContact CG1-CZ 3.4Å; L246-F292 HydrophobicContact CD2-CB 4.11Å; L246-F292 HydrophobicContact CD2-CD1 4.2Å; L246-F292 HydrophobicContact CD2-CG 4.03Å; P247-F292 HydrophobicContact CG-CE2 4.36Å; L250-F292 HydrophobicContact CD1-CB 3.74Å; L250-F292 HydrophobicContact CD1-CD2 4.06Å; L250-F292 HydrophobicContact CD1-CG 4.32Å; L250-F292 HydrophobicContact CD2-CB 4.39Å; L250-F292 HydrophobicContact CD2-CD2 4.17Å; K288-F292 PolarHBondContact O-N 3.25Å; L289-F292 PolarHBondContact O-N 3.07Å; T290-F292 VanDerWaalsContact C-N 3.34Å; T290-F292 PolarHBondContact O-N 2.83Å; F292-Y294 VanDerWaalsContact C-N 3.31Å; F292-Y294 PolarHBondContact O-N 3.29Å; F292-K295 HydrophobicContact CD2-CD 4.04Å; F292-K295 HydrophobicContact CE2-CD 4.09Å; F292-K295 WeakPolarHBondContact O-CD 3.48Å; F292-K295 WeakPolarHBondContact O-CG 3.41Å; F292-K295 PolarHBondContact O-N 3.42Å
293A94.4Very high94.2Very high31 Ų3122.2 Ų22.226%0.25611%0.114SC..Hα-helixtrans-64.5-32-178.500000114K159 L289 T290K159-A293 WeakPolarHBondContact O-CA 3.49Å; K159-A293 WeakPolarHBondContact O-CB 3.39Å; K159-A293 PolarHBondContact O-N 2.86Å; L289-A293 PolarHBondContact O-N 2.93Å; T290-A293 PolarHBondContact O-N 3.27Å
294Y94.5Very high94.2Very high42 Ų4225.1 Ų25.117%0.16512%0.124CC..THydrogen-bonded Turntrans-110.412-178-68.4-85000114.3T290 F292 D296 Y297 L298 D351 I354T290-Y294 WeakPolarHBondContact O-CD2 3.39Å; T290-Y294 PolarHBondContact O-N 3.4Å; F292-Y294 VanDerWaalsContact C-N 3.31Å; F292-Y294 PolarHBondContact O-N 3.29Å; Y294-D296 PolarHBondContact O-N 3.01Å; Y294-Y297 PolarHBondContact O-N 2.9Å; Y294-L298 HydrophobicContact CD1-CD1 4.16Å; Y294-L298 HydrophobicContact CG-CD1 4.35Å; Y294-L298 PolarHBondContact O-N 2.88Å; Y294-D351 PolarHBondContact OH-O 2.98Å; Y294-I354 HydrophobicContact CD1-CG2 3.58Å; Y294-I354 HydrophobicContact CD2-CD1 4.34Å; Y294-I354 HydrophobicContact CD2-CG2 3.88Å; Y294-I354 HydrophobicContact CE1-CG2 3.73Å; Y294-I354 HydrophobicContact CE2-CB 4.49Å; Y294-I354 HydrophobicContact CE2-CG2 4.03Å; Y294-I354 HydrophobicContact CG-CG2 3.66Å
295K91.8Very high94Very high57 Ų5723.7 Ų23.725%0.24811%0.114CC..THydrogen-bonded Turntrans-51-31.3-177.275.6-166.8-176.7-162.50114.5F158 N223 L250 K271 A291 F292 Y297F158-K295 PolarHBondContact O-NZ 3.4Å; N223-K295 PolarHBondContact OD1-NZ 3.11Å; L250-K295 HydrophobicContact CD2-CB 4.22Å; K271-K295 PolarHBondContact NZ-O 3.44Å; A291-K295 WeakPolarHBondContact O-CA 3.45Å; A291-K295 WeakPolarHBondContact O-CB 3.34Å; A291-K295 PolarHBondContact O-N 3.23Å; F292-K295 HydrophobicContact CD2-CD 4.04Å; F292-K295 HydrophobicContact CE2-CD 4.09Å; F292-K295 WeakPolarHBondContact O-CD 3.48Å; F292-K295 WeakPolarHBondContact O-CG 3.41Å; F292-K295 PolarHBondContact O-N 3.42Å; K295-Y297 VanDerWaalsContact C-N 3.32Å
296D88.9Confident93.4Very high94 Ų9425.8 Ų25.850%0.50314%0.138SC..THydrogen-bonded Turntrans-74.6-21.5-179.6-67.10.4000112.7K271 Y294K271-D296 WeakPolarHBondContact CE-O 3.42Å; Y294-D296 PolarHBondContact O-N 3.01Å
297Y91.7Very high92.8Very high55 Ų5528.2 Ų28.222%0.21615%0.15CC..THydrogen-bonded Turntrans-122.5-32.8-166.1-54.6-70.4000114.4K271 P272 Y294 K295 K358 K369K271-Y297 WeakPolarHBondContact CB-O 3.29Å; K271-Y297 WeakPolarHBondContact CG-O 3.33Å; P272-Y297 VanDerWaalsContact CD-O 3.28Å; P272-Y297 WeakPolarHBondContact CD-O 3.48Å; Y294-Y297 PolarHBondContact O-N 2.9Å; K295-Y297 VanDerWaalsContact C-N 3.32Å; Y297-K358 HydrophobicContact CD1-CD 4.45Å; Y297-K358 HydrophobicContact CD1-CG 4.44Å; Y297-K358 VanDerWaalsContact CE1-NZ 3.33Å; Y297-K358 HydrophobicContact CG-CD 4.35Å; Y297-K358 HydrophobicContact CG-CG 4.14Å; Y297-K369 PolarHBondContact OH-NZ 3.29Å; Y297-K369 VanDerWaalsContact OH-NZ 3.11Å
298L94.9Very high91.9Very high2 Ų239.5 Ų39.51%0.0119%0.193CC..  trans-130.9153.3177.8-57.592.7000111.1P272 V274 Y294 F300 I354P272-L298 HydrophobicContact CB-CD2 4.11Å; P272-L298 HydrophobicContact CB-CG 4.35Å; P272-L298 WeakPolarHBondContact O-CA 3.32Å; V274-L298 HydrophobicContact CG2-CB 3.98Å; V274-L298 HydrophobicContact CG2-CD2 3.49Å; V274-L298 VanDerWaalsContact CG2-CD2 3.49Å; V274-L298 HydrophobicContact CG2-CG 4.38Å; Y294-L298 HydrophobicContact CD1-CD1 4.16Å; Y294-L298 HydrophobicContact CG-CD1 4.35Å; Y294-L298 PolarHBondContact O-N 2.88Å; L298-F300 HydrophobicContact CB-CD2 4.45Å; L298-F300 HydrophobicContact CB-CE2 3.75Å; L298-F300 HydrophobicContact CB-CZ 4.09Å; L298-F300 WeakPolarHBondContact O-CD2 3.39Å; L298-F300 WeakPolarHBondContact O-CE2 3.46Å; L298-I354 HydrophobicContact CD1-CG2 3.53Å; L298-I354 HydrophobicContact CD2-CG2 4.09Å; L298-I354 HydrophobicContact CG-CG2 4.49Å
299S95.4Very high91.1Very high15 Ų1538.4 Ų38.411%0.10520%0.196CC..EExtended strand (participates in β ladder)trans-109128.5177.4-56.90000109.8E269 K271 P272 H273 V274E269-S299 WeakPolarHBondContact OE2-CB 3.26Å; E269-S299 PolarHBondContact OE2-OG 3.05Å; K271-S299 WeakPolarHBondContact CD-OG 3.36Å; P272-S299 PolarHBondContact O-N 3.43Å; H273-S299 CarbonylContact C-O 3.5Å; H273-S299 WeakPolarHBondContact CA-O 3.29Å; V274-S299 PolarHBondContact N-O 3.48Å
300F97Very high90.7Very high9 Ų938.2 Ų38.24%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-108.3135.8-166.1-69.5-101.1000112V251 E252 V274 Y287 A291 L298 I354V251-F300 WeakPolarHBondContact CA-O 3.46Å; V251-F300 HydrophobicContact CG2-CB 4.18Å; E252-F300 PolarHBondContact N-O 3.24Å; V274-F300 HydrophobicContact CB-CD1 3.98Å; V274-F300 HydrophobicContact CB-CE1 4.19Å; V274-F300 HydrophobicContact CG1-CD1 4.28Å; V274-F300 HydrophobicContact CG1-CE1 4.32Å; V274-F300 HydrophobicContact CG2-CD1 4.23Å; V274-F300 HydrophobicContact CG2-CE1 4.03Å; V274-F300 HydrophobicContact CG2-CZ 4.3Å; Y287-F300 HydrophobicContact CD2-CD1 4.48Å; Y287-F300 AromaticContact CE2-CD1 3.69Å; Y287-F300 HydrophobicContact CE2-CD1 3.69Å; Y287-F300 HydrophobicContact CE2-CE1 4.2Å; Y287-F300 AromaticContact CZ-CD1 3.72Å; A291-F300 HydrophobicContact CB-CB 3.84Å; A291-F300 HydrophobicContact CB-CD1 3.99Å; A291-F300 HydrophobicContact CB-CD2 3.76Å; A291-F300 HydrophobicContact CB-CE2 4.32Å; A291-F300 HydrophobicContact CB-CG 3.58Å; L298-F300 HydrophobicContact CB-CD2 4.45Å; L298-F300 HydrophobicContact CB-CE2 3.75Å; L298-F300 HydrophobicContact CB-CZ 4.09Å; L298-F300 WeakPolarHBondContact O-CD2 3.39Å; L298-F300 WeakPolarHBondContact O-CE2 3.46Å; F300-I354 HydrophobicContact CE1-CD1 3.9Å; F300-I354 HydrophobicContact CZ-CD1 4.06Å
301G96.1Very high90.3Very high0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-137.5152179.200000112.2E252 V274 L275 L276 Y287E252-G301 CarbonylContact O-C 3.45Å; E252-G301 VanDerWaalsContact O-CA 3.26Å; E252-G301 WeakPolarHBondContact O-CA 3.28Å; V274-G301 PolarHBondContact O-N 3.13Å; L275-G301 WeakPolarHBondContact CA-O 3.5Å; L276-G301 PolarHBondContact N-O 2.88Å; Y287-G301 PolarHBondContact OH-O 3.44Å
302Y95.6Very high89.9Confident5 Ų547 Ų472%0.0224%0.236CC..EExtended strand (participates in β ladder)trans-129128.2-173.2-173.2-95.6000111.8E252 V254 L276 D278 T280 I282 V283 Y287E252-Y302 PolarHBondContact O-N 3.25Å; V254-Y302 PolarHBondContact N-O 3.47Å; L276-Y302 HydrophobicContact CB-CD2 4.12Å; L276-Y302 HydrophobicContact CD2-CD2 4.03Å; L276-Y302 HydrophobicContact CD2-CE2 3.86Å; L276-Y302 HydrophobicContact CG-CD2 4.12Å; L276-Y302 HydrophobicContact CG-CE2 4.06Å; D278-Y302 HydrophobicContact CB-CE2 4.31Å; T280-Y302 PolarHBondContact O-OH 2.95Å; T280-Y302 PolarHBondContact OG1-OH 2.74Å; I282-Y302 PolarHBondContact O-OH 3.43Å; V283-Y302 HydrophobicContact CB-CD2 4.38Å; V283-Y302 HydrophobicContact CB-CG 4.44Å; V283-Y302 HydrophobicContact CG1-CD2 3.93Å; V283-Y302 HydrophobicContact CG1-CE2 4.34Å; V283-Y302 HydrophobicContact CG1-CG 4.27Å; V283-Y302 HydrophobicContact CG2-CD1 3.8Å; V283-Y302 HydrophobicContact CG2-CD2 4.17Å; V283-Y302 HydrophobicContact CG2-CE1 4.24Å; V283-Y302 HydrophobicContact CG2-CG 3.74Å; Y287-Y302 HydrophobicContact CD1-CD2 4.22Å; Y287-Y302 HydrophobicContact CE1-CD2 4.33Å
303V94.6Very high89.5Confident0 Ų047 Ų470%024%0.236CC..EExtended strand (participates in β ladder)trans-116.1107.3-177.4-172.90000109.3V254 L275 L276 F277 D278 V305 T310 M313V254-V303 HydrophobicContact CB-CG2 4.01Å; V254-V303 HydrophobicContact CG1-CG2 4.26Å; L275-V303 HydrophobicContact CD1-CG2 4.41Å; L275-V303 HydrophobicContact CD2-CG2 4.2Å; L276-V303 PolarHBondContact O-N 3Å; F277-V303 WeakPolarHBondContact CA-O 3.42Å; F277-V303 HydrophobicContact CD1-CB 3.7Å; F277-V303 HydrophobicContact CD1-CG1 3.65Å; F277-V303 HydrophobicContact CD1-CG2 4.21Å; F277-V303 HydrophobicContact CE1-CB 3.92Å; F277-V303 HydrophobicContact CE1-CG1 3.69Å; F277-V303 HydrophobicContact CE1-CG2 3.98Å; F277-V303 HydrophobicContact CE2-CG2 4.29Å; F277-V303 HydrophobicContact CG-CB 4.05Å; F277-V303 HydrophobicContact CG-CG1 4.47Å; F277-V303 HydrophobicContact CG-CG2 4.48Å; F277-V303 HydrophobicContact CZ-CB 4.41Å; F277-V303 HydrophobicContact CZ-CG2 4.02Å; D278-V303 PolarHBondContact N-O 2.82Å; V303-V305 PolarHBondContact O-N 3.33Å; V303-T310 HydrophobicContact CG1-CG2 3.55Å; V303-M313 HydrophobicContact CG1-CE 4.36Å; V303-M313 HydrophobicContact CG2-CE 3.73Å
304Y93Very high89.3Confident74 Ų7446.2 Ų46.229%0.2923%0.229SC..EExtended strand (participates in β ladder)trans-76.3111.1172172.7-139.1000109.7Q279 T280 P281 G306 L307 T310Q279-Y304 WeakPolarHBondContact O-CE2 3.47Å; T280-Y304 WeakPolarHBondContact O-CD2 3.32Å; P281-Y304 HydrophobicContact CB-CD1 4.29Å; P281-Y304 HydrophobicContact CB-CE1 4.15Å; P281-Y304 HydrophobicContact CB-CE2 4.38Å; Y304-G306 VanDerWaalsContact C-N 3.27Å; Y304-G306 PolarHBondContact O-N 2.76Å; Y304-L307 HydrophobicContact CD1-CB 3.73Å; Y304-L307 HydrophobicContact CD1-CD1 4.33Å; Y304-L307 HydrophobicContact CE1-CB 4.25Å; Y304-L307 HydrophobicContact CG-CB 4.38Å; Y304-L307 WeakPolarHBondContact O-CB 3.3Å; Y304-L307 PolarHBondContact O-N 2.78Å; Y304-T310 WeakPolarHBondContact O-CG2 3.02Å; Y304-T310 PolarHBondContact O-OG1 2.75Å
305V88.3Confident89Confident15 Ų1552.5 Ų52.59%0.09125%0.252CS..THydrogen-bonded Turntrans-71.2-23-172.6-175.80000112.4F277 D278 V303 L307 T314 V321F277-V305 HydrophobicContact CB-CG2 3.91Å; F277-V305 HydrophobicContact CD1-CG2 4.26Å; D278-V305 PolarHBondContact O-N 3.41Å; V303-V305 PolarHBondContact O-N 3.33Å; V305-L307 VanDerWaalsContact C-N 3.27Å; V305-L307 PolarHBondContact O-N 3.13Å; V305-T314 HydrophobicContact CG1-CG2 3.92Å; V305-V321 HydrophobicContact CG1-CB 4.2Å; V305-V321 HydrophobicContact CG1-CG1 3.93Å; V305-V321 HydrophobicContact CG1-CG2 3.89Å
306G80.4Confident88.9Confident51 Ų5155 Ų5553%0.52626%0.26SS..THydrogen-bonded Turntrans-80.76.1175.500000115.3Y304Y304-G306 VanDerWaalsContact C-N 3.27Å; Y304-G306 PolarHBondContact O-N 2.76Å
307L81.4Confident88.9Confident79 Ų7951.5 Ų51.541%0.41424%0.24SC..SBendtrans-89.4132.8-177.8-166.764.4000112.3T255 Y304 V305 G309 T310T255-L307 HydrophobicContact CG2-CD2 4.18Å; Y304-L307 HydrophobicContact CD1-CB 3.73Å; Y304-L307 HydrophobicContact CD1-CD1 4.33Å; Y304-L307 HydrophobicContact CE1-CB 4.25Å; Y304-L307 HydrophobicContact CG-CB 4.38Å; Y304-L307 WeakPolarHBondContact O-CB 3.3Å; Y304-L307 PolarHBondContact O-N 2.78Å; V305-L307 VanDerWaalsContact C-N 3.27Å; V305-L307 PolarHBondContact O-N 3.13Å; L307-G309 VanDerWaalsContact C-N 3.32Å; L307-G309 PolarHBondContact O-N 3.23Å; L307-T310 HydrophobicContact CB-CG2 4.26Å; L307-T310 PolarHBondContact O-N 3.07Å; L307-T310 VanDerWaalsContact O-N 3.14Å; L307-T310 PolarHBondContact O-OG1 2.92Å; L307-T310 VanDerWaalsContact O-OG1 3.09Å
308R76.7Confident88.8Confident243 Ų24356 Ų5692%0.91727%0.267SS*.THydrogen-bonded Turntrans-63.891.9166.2-71-174.7179.1-179.90.3109.6
309G78.6Confident88.7Confident28 Ų2856.6 Ų56.629%0.28927%0.271SS..THydrogen-bonded Turntrans137.67.9-171.100000115.7N256 L307N256-G309 VanDerWaalsContact CB-O 3.3Å; N256-G309 WeakPolarHBondContact CB-O 3.23Å; N256-G309 PolarHBondContact N-O 3.39Å; N256-G309 PolarHBondContact ND2-O 2.88Å; N256-G309 PolarHBondContact OD1-O 3.39Å; L307-G309 VanDerWaalsContact C-N 3.32Å; L307-G309 PolarHBondContact O-N 3.23Å
310T85.7Confident88.3Confident0 Ų058.9 Ų58.90%028%0.282CS..  trans-120.6-7.6171.451.60000114.1N256 V303 Y304 L307 E312 M313 T314N256-T310 WeakPolarHBondContact OD1-CA 3.17Å; N256-T310 PolarHBondContact OD1-O 3.43Å; V303-T310 HydrophobicContact CG1-CG2 3.55Å; Y304-T310 WeakPolarHBondContact O-CG2 3.02Å; Y304-T310 PolarHBondContact O-OG1 2.75Å; L307-T310 HydrophobicContact CB-CG2 4.26Å; L307-T310 PolarHBondContact O-N 3.07Å; L307-T310 VanDerWaalsContact O-N 3.14Å; L307-T310 PolarHBondContact O-OG1 2.92Å; L307-T310 VanDerWaalsContact O-OG1 3.09Å; T310-E312 VanDerWaalsContact C-N 3.33Å; T310-E312 PolarHBondContact O-N 2.9Å; T310-M313 PolarHBondContact O-N 3.21Å; T310-T314 PolarHBondContact O-N 2.91Å; T310-T314 PolarHBondContact O-OG1 2.97Å
311E86.1Confident87.8Confident92 Ų9261.5 Ų61.543%0.4330%0.298SS..Hα-helixtrans-54.6-40.8-175.7-64.6177.7-143.800114.8T314 R315E311-T314 PolarHBondContact O-N 2.95Å; E311-R315 WeakPolarHBondContact O-CG 3.44Å; E311-R315 PolarHBondContact O-N 3.31Å; E311-R315 IonicContact OE2-CZ 3.59Å; E311-R315 VanDerWaalsContact OE2-CZ 3.28Å; E311-R315 IonicContact OE2-NH1 3.87Å; E311-R315 PolarHBondContact OE2-NH1 2.96Å; E311-R315 IonicContact OE2-NH2 2.67Å; E311-R315 PolarHBondContact OE2-NH2 3.04Å
312E86.7Confident87.3Confident93 Ų9368.9 Ų68.944%0.43533%0.327SS..Hα-helixtrans-64-45.1-179.6-163.1-159.214300111.7N256 T310 R315 R316N256-E312 VanDerWaalsContact ND2-CB 3.35Å; N256-E312 WeakPolarHBondContact ND2-CB 3.34Å; N256-E312 PolarHBondContact ND2-N 2.85Å; T310-E312 VanDerWaalsContact C-N 3.33Å; T310-E312 PolarHBondContact O-N 2.9Å; E312-R315 PolarHBondContact O-N 3.31Å; E312-R316 WeakPolarHBondContact O-CB 3.16Å; E312-R316 PolarHBondContact O-N 2.67Å; E312-R316 IonicContact OE1-CZ 3.72Å; E312-R316 IonicContact OE1-NE 2.7Å; E312-R316 IonicContact OE1-NH2 3.67Å; E312-R316 PolarHBondContact OE1-NH2 2.82Å
313M88.3Confident87.1Confident1 Ų169.7 Ų69.71%0.00533%0.332CS..Hα-helixtrans-61.8-44.6173-71.5171.56400111.4V254 N256 Y259 L275 F277 V303 T310 R315 R316 Y317V254-M313 HydrophobicContact CG1-CE 4Å; V254-M313 HydrophobicContact CG1-SD 4.44Å; N256-M313 WeakPolarHBondContact OD1-CG 3.41Å; N256-M313 PolarHBondContact OD1-N 2.89Å; Y259-M313 VanDerWaalsContact CB-SD 3.55Å; Y259-M313 HydrophobicContact CD1-CG 4.24Å; Y259-M313 HydrophobicContact CD1-SD 3.99Å; Y259-M313 HydrophobicContact CD2-CG 4.47Å; Y259-M313 HydrophobicContact CG-CE 4.3Å; Y259-M313 HydrophobicContact CG-CG 4.15Å; Y259-M313 HydrophobicContact CG-SD 3.76Å; L275-M313 HydrophobicContact CD1-CE 3.89Å; F277-M313 HydrophobicContact CE1-CB 4.17Å; F277-M313 HydrophobicContact CE1-CE 4.08Å; F277-M313 HydrophobicContact CZ-CE 3.82Å; V303-M313 HydrophobicContact CG1-CE 4.36Å; V303-M313 HydrophobicContact CG2-CE 3.73Å; T310-M313 PolarHBondContact O-N 3.21Å; M313-R315 VanDerWaalsContact C-N 3.32Å; M313-R315 PolarHBondContact O-N 3.04Å; M313-R316 PolarHBondContact O-N 3.49Å; M313-Y317 HydrophobicContact CB-CD2 4.4Å; M313-Y317 WeakPolarHBondContact O-CD2 3.21Å; M313-Y317 PolarHBondContact O-N 3.12Å
314T89.7Confident87.1Confident16 Ų1670.9 Ų70.910%0.09834%0.34CS..Hα-helixtrans-57.6-43.9178-53.50000111.4V305 T310 E311 N318 I319 V321V305-T314 HydrophobicContact CG1-CG2 3.92Å; T310-T314 PolarHBondContact O-N 2.91Å; T310-T314 PolarHBondContact O-OG1 2.97Å; E311-T314 PolarHBondContact O-N 2.95Å; T314-N318 PolarHBondContact O-N 3.09Å; T314-I319 HydrophobicContact CG2-CB 4.01Å; T314-I319 HydrophobicContact CG2-CG2 4.49Å; T314-I319 PolarHBondContact O-N 3.27Å; T314-V321 HydrophobicContact CG2-CG2 4.36Å
315R89.1Confident87.1Confident174 Ų17467.5 Ų67.566%0.65733%0.327SS*.Hα-helixtrans-68.1-46.6174.3-70173-173.212413112.1E311 E312 M313 Y317 N318E311-R315 WeakPolarHBondContact O-CG 3.44Å; E311-R315 PolarHBondContact O-N 3.31Å; E311-R315 IonicContact OE2-CZ 3.59Å; E311-R315 VanDerWaalsContact OE2-CZ 3.28Å; E311-R315 IonicContact OE2-NH1 3.87Å; E311-R315 PolarHBondContact OE2-NH1 2.96Å; E311-R315 IonicContact OE2-NH2 2.67Å; E311-R315 PolarHBondContact OE2-NH2 3.04Å; E312-R315 PolarHBondContact O-N 3.31Å; M313-R315 VanDerWaalsContact C-N 3.32Å; M313-R315 PolarHBondContact O-N 3.04Å; R315-Y317 PolarHBondContact O-N 2.79Å; R315-N318 PolarHBondContact O-N 3.41Å
316R88.4Confident87.5Confident109 Ų10966.9 Ų66.941%0.41132%0.323SS..Hα-helixtrans-62.2-41.1-175.3-174.5-173.3-66-163.11.8112.9Y259 E312 M313Y259-R316 VanDerWaalsContact OH-CZ 3.29Å; Y259-R316 PolarHBondContact OH-NH1 3.34Å; Y259-R316 PolarHBondContact OH-NH2 3.39Å; E312-R316 WeakPolarHBondContact O-CB 3.16Å; E312-R316 PolarHBondContact O-N 2.67Å; E312-R316 IonicContact OE1-CZ 3.72Å; E312-R316 IonicContact OE1-NE 2.7Å; E312-R316 IonicContact OE1-NH2 3.67Å; E312-R316 PolarHBondContact OE1-NH2 2.82Å; M313-R316 PolarHBondContact O-N 3.49Å
317Y89.4Confident88.2Confident20 Ų2064.4 Ų64.48%0.07830%0.298CS..THydrogen-bonded Turntrans-98.111179.9-57.5-64.4000113.3F277 M313 R315 I319 L327 F329 I333F277-Y317 HydrophobicContact CZ-CD2 4.24Å; M313-Y317 HydrophobicContact CB-CD2 4.4Å; M313-Y317 WeakPolarHBondContact O-CD2 3.21Å; M313-Y317 PolarHBondContact O-N 3.12Å; R315-Y317 PolarHBondContact O-N 2.79Å; Y317-I319 VanDerWaalsContact C-N 3.34Å; Y317-I319 PolarHBondContact O-N 3.02Å; Y317-L327 HydrophobicContact CD1-CD1 4.42Å; Y317-L327 HydrophobicContact CD2-CD1 4.31Å; Y317-L327 HydrophobicContact CG-CD1 3.98Å; Y317-F329 HydrophobicContact CD1-CE1 4.34Å; Y317-F329 HydrophobicContact CD1-CZ 4.1Å; Y317-F329 AromaticContact CE1-CE1 3.6Å; Y317-F329 HydrophobicContact CE1-CE1 3.6Å; Y317-F329 AromaticContact CE1-CZ 3.66Å; Y317-F329 HydrophobicContact CE1-CZ 3.66Å; Y317-F329 HydrophobicContact CE2-CZ 4.11Å; Y317-F329 AromaticContact CZ-CE1 3.79Å; Y317-F329 AromaticContact CZ-CZ 3.66Å; Y317-I333 PolarHBondContact OH-O 2.88Å
318N90.3Very high88.9Confident150 Ų15060.7 Ų60.780%0.80228%0.279SS*.THydrogen-bonded Turntrans52.344.7178-166.649000114.2T314 R315T314-N318 PolarHBondContact O-N 3.09Å; R315-N318 PolarHBondContact O-N 3.41Å
319I91.6Very high89.8Confident15 Ų1549.1 Ų49.18%0.07724%0.235CC..  trans-81130-174.5-56.6-59.3000111.1F277 T314 Y317 T325 L327F277-I319 HydrophobicContact CB-CG2 3.75Å; F277-I319 HydrophobicContact CD1-CB 4.43Å; F277-I319 HydrophobicContact CD1-CG1 3.95Å; F277-I319 HydrophobicContact CD1-CG2 4.04Å; F277-I319 HydrophobicContact CD2-CD1 4.34Å; F277-I319 HydrophobicContact CD2-CG1 4.46Å; F277-I319 HydrophobicContact CE1-CG1 4.05Å; F277-I319 HydrophobicContact CG-CD1 4.43Å; F277-I319 HydrophobicContact CG-CG1 4.16Å; F277-I319 HydrophobicContact CG-CG2 4Å; F277-I319 HydrophobicContact CZ-CG1 4.37Å; T314-I319 HydrophobicContact CG2-CB 4.01Å; T314-I319 HydrophobicContact CG2-CG2 4.49Å; T314-I319 PolarHBondContact O-N 3.27Å; Y317-I319 VanDerWaalsContact C-N 3.34Å; Y317-I319 PolarHBondContact O-N 3.02Å; I319-T325 HydrophobicContact CD1-CG2 3.77Å; I319-L327 HydrophobicContact CD1-CD1 4.11Å; I319-L327 HydrophobicContact CD1-CD2 4.05Å; I319-L327 HydrophobicContact CD1-CG 4.28Å
320N88.1Confident90.5Very high63 Ų6349 Ų4934%0.33723%0.227SC..  trans-79.2119172.4179.7-2.8000110.7Y322 T323 Q341N320-Y322 PolarHBondContact O-N 3.21Å; N320-Y322 WeakPolarHBondContact OD1-CD2 3.26Å; N320-Y322 PolarHBondContact OD1-N 3.44Å; N320-T323 WeakPolarHBondContact CB-OG1 3.41Å; N320-T323 PolarHBondContact ND2-OG1 2.87Å; N320-T323 PolarHBondContact O-N 2.91Å; N320-T323 VanDerWaalsContact O-O 3.11Å; N320-Q341 VanDerWaalsContact CB-NE2 3.32Å
321V86.1Confident90.7Very high64 Ų6449.5 Ų49.539%0.38823%0.229SC..THydrogen-bonded Turntrans-58.4-30.9-179.3-175.50000113.1V305 T314V305-V321 HydrophobicContact CG1-CB 4.2Å; V305-V321 HydrophobicContact CG1-CG1 3.93Å; V305-V321 HydrophobicContact CG1-CG2 3.89Å; T314-V321 HydrophobicContact CG2-CG2 4.36Å
322Y86.3Confident90.9Very high155 Ų15549.3 Ų49.361%0.60823%0.228SC*.THydrogen-bonded Turntrans-92.67.8-170.2-53.7-71.1000114.7N320 R343N320-Y322 PolarHBondContact O-N 3.21Å; N320-Y322 WeakPolarHBondContact OD1-CD2 3.26Å; N320-Y322 PolarHBondContact OD1-N 3.44Å; Y322-R343 PolarHBondContact O-NE 3.01Å; Y322-R343 PolarHBondContact O-NH2 3.27Å
323T90.9Very high90.9Very high21 Ų2146.6 Ų46.613%0.12922%0.216CC..SBendtrans-146.6125.8-176.8530000110N320 T325 Q341 R343N320-T323 WeakPolarHBondContact CB-OG1 3.41Å; N320-T323 PolarHBondContact ND2-OG1 2.87Å; N320-T323 PolarHBondContact O-N 2.91Å; N320-T323 VanDerWaalsContact O-O 3.11Å; T323-T325 PolarHBondContact O-N 3.41Å; T323-T325 PolarHBondContact O-OG1 3.44Å; T323-T325 VanDerWaalsContact O-OG1 3.05Å; T323-Q341 PolarHBondContact OG1-NE2 2.96Å; T323-R343 HydrophobicContact CG2-CG 4.06Å
324P93.1Very high90.8Very high26 Ų2653.1 Ų53.117%0.16925%0.251CS..  trans-61.4132.3177.223.8-30.4000109.9L276 F277 D278 A342 M345L276-P324 HydrophobicContact CD1-CB 4.19Å; F277-P324 CarbonylContact O-C 3.6Å; F277-P324 VanDerWaalsContact O-CA 3.26Å; F277-P324 WeakPolarHBondContact O-CA 3.48Å; D278-P324 HydrophobicContact CB-CB 4.16Å; P324-A342 WeakPolarHBondContact CG-O 3.45Å; P324-M345 HydrophobicContact CB-CE 4.26Å; P324-M345 HydrophobicContact CG-CE 4.4Å
325T94.8Very high90.7Very high2 Ų260 Ų601%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-128.4126-172.9-53.20000108.8F277 I319 T323 L327 I339 Q341F277-T325 PolarHBondContact N-O 3.19Å; F277-T325 PolarHBondContact O-N 3.43Å; I319-T325 HydrophobicContact CD1-CG2 3.77Å; T323-T325 PolarHBondContact O-N 3.41Å; T323-T325 PolarHBondContact O-OG1 3.44Å; T323-T325 VanDerWaalsContact O-OG1 3.05Å; T325-L327 HydrophobicContact CG2-CD2 4.15Å; T325-I339 HydrophobicContact CG2-CG2 4.19Å; T325-Q341 HydrophobicContact CG2-CB 4.2Å; T325-Q341 HydrophobicContact CG2-CG 4.46Å
326L95.6Very high90.9Very high2 Ų252.5 Ų52.51%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-111.2118.3-176.2-172.971.2000108.9V274 L276 Y287 I340 I350 F353V274-L326 HydrophobicContact CG1-CD1 3.48Å; V274-L326 VanDerWaalsContact CG1-CD1 3.48Å; V274-L326 HydrophobicContact CG1-CG 4.04Å; L276-L326 HydrophobicContact CB-CD1 3.82Å; L276-L326 HydrophobicContact CD1-CB 4.45Å; L276-L326 HydrophobicContact CD1-CD1 4.22Å; Y287-L326 HydrophobicContact CE2-CD1 3.68Å; L326-I340 HydrophobicContact CB-CG2 3.76Å; L326-I340 HydrophobicContact CD2-CG2 4.04Å; L326-I340 HydrophobicContact CG-CG2 4.38Å; L326-I340 PolarHBondContact N-O 2.77Å; L326-I340 PolarHBondContact O-N 2.96Å; L326-I350 HydrophobicContact CD2-CG2 4.21Å; L326-F353 HydrophobicContact CB-CE1 4.4Å; L326-F353 HydrophobicContact CD2-CD1 3.67Å; L326-F353 HydrophobicContact CD2-CE1 3.68Å; L326-F353 HydrophobicContact CG-CD1 4.4Å; L326-F353 HydrophobicContact CG-CE1 3.89Å
327L95.8Very high91.1Very high0 Ų049.9 Ų49.90%026%0.255CS..EExtended strand (participates in β ladder)trans-105.8141.9176.4-54.1-172.2000110V274 L275 F277 Y317 I319 T325 F329 P336 I339V274-L327 WeakPolarHBondContact CA-O 3.47Å; L275-L327 PolarHBondContact N-O 2.88Å; L275-L327 PolarHBondContact O-N 3.39Å; F277-L327 HydrophobicContact CD2-CD1 4.33Å; F277-L327 HydrophobicContact CD2-CG 4.22Å; F277-L327 HydrophobicContact CE2-CD1 3.54Å; F277-L327 HydrophobicContact CE2-CG 3.85Å; F277-L327 HydrophobicContact CZ-CD1 4.11Å; Y317-L327 HydrophobicContact CD1-CD1 4.42Å; Y317-L327 HydrophobicContact CD2-CD1 4.31Å; Y317-L327 HydrophobicContact CG-CD1 3.98Å; I319-L327 HydrophobicContact CD1-CD1 4.11Å; I319-L327 HydrophobicContact CD1-CD2 4.05Å; I319-L327 HydrophobicContact CD1-CG 4.28Å; T325-L327 HydrophobicContact CG2-CD2 4.15Å; L327-F329 HydrophobicContact CB-CD2 4.29Å; L327-F329 HydrophobicContact CB-CE2 3.6Å; L327-F329 HydrophobicContact CB-CZ 4.21Å; L327-F329 HydrophobicContact CD1-CE2 3.72Å; L327-F329 HydrophobicContact CD1-CZ 3.61Å; L327-F329 HydrophobicContact CG-CE2 4.34Å; L327-P336 HydrophobicContact CB-CB 4.2Å; L327-P336 HydrophobicContact CD2-CB 4.49Å; L327-P336 HydrophobicContact CD2-CG 4.39Å; L327-I339 HydrophobicContact CD2-CB 4.21Å; L327-I339 HydrophobicContact CD2-CD1 4.07Å; L327-I339 HydrophobicContact CD2-CG1 3.79Å; L327-I339 HydrophobicContact CD2-CG2 3.82Å
328I96.2Very high91.3Very high0 Ų051.4 Ų51.40%026%0.264CS..EExtended strand (participates in β ladder)trans-113.5127.1165.5-60.2178000109.6P272 V274 P336 A337 D338 F353 N357P272-I328 HydrophobicContact CB-CG2 4.18Å; V274-I328 HydrophobicContact CG1-CG1 4.26Å; V274-I328 HydrophobicContact CG2-CG1 4.26Å; I328-P336 CarbonylContact O-C 3.42Å; I328-P336 WeakPolarHBondContact O-CA 3.25Å; I328-A337 PolarHBondContact O-N 3.36Å; I328-D338 PolarHBondContact N-O 3.36Å; I328-D338 PolarHBondContact O-N 3.06Å; I328-F353 HydrophobicContact CD1-CD1 3.76Å; I328-F353 HydrophobicContact CD1-CE1 3.41Å; I328-F353 VanDerWaalsContact CD1-CE1 3.41Å; I328-F353 HydrophobicContact CD1-CZ 3.99Å; I328-F353 HydrophobicContact CG1-CD1 4.4Å; I328-F353 HydrophobicContact CG1-CE1 3.59Å; I328-F353 HydrophobicContact CG1-CZ 4.03Å; I328-N357 HydrophobicContact CD1-CB 3.5Å; I328-N357 HydrophobicContact CG2-CB 4.17Å
329F95.1Very high91.5Very high0 Ų048.5 Ų48.50%025%0.248CC..EExtended strand (participates in β ladder)trans-105.6138.6170.4-62.7-91.6000108.9L263 P272 H273 L275 Y317 L327 I333 P336L263-F329 HydrophobicContact CD1-CD1 4.15Å; L263-F329 HydrophobicContact CD1-CD2 4.08Å; L263-F329 HydrophobicContact CD1-CE1 4.2Å; L263-F329 HydrophobicContact CD1-CE2 4.13Å; L263-F329 HydrophobicContact CD1-CG 4.09Å; L263-F329 HydrophobicContact CD1-CZ 4.19Å; L263-F329 HydrophobicContact CD2-CB 3.9Å; L263-F329 HydrophobicContact CD2-CD2 3.59Å; L263-F329 HydrophobicContact CD2-CE2 4.29Å; L263-F329 HydrophobicContact CD2-CG 3.78Å; P272-F329 CarbonylContact C-O 3.6Å; P272-F329 WeakPolarHBondContact CA-O 3.13Å; H273-F329 PolarHBondContact N-O 3.43Å; H273-F329 PolarHBondContact O-N 3.27Å; L275-F329 HydrophobicContact CB-CE2 4.41Å; L275-F329 HydrophobicContact CD1-CD2 4.4Å; L275-F329 HydrophobicContact CD1-CE2 3.87Å; L275-F329 HydrophobicContact CG-CD2 4.48Å; L275-F329 HydrophobicContact CG-CE2 4.27Å; Y317-F329 HydrophobicContact CD1-CE1 4.34Å; Y317-F329 HydrophobicContact CD1-CZ 4.1Å; Y317-F329 AromaticContact CE1-CE1 3.6Å; Y317-F329 HydrophobicContact CE1-CE1 3.6Å; Y317-F329 AromaticContact CE1-CZ 3.66Å; Y317-F329 HydrophobicContact CE1-CZ 3.66Å; Y317-F329 HydrophobicContact CE2-CZ 4.11Å; Y317-F329 AromaticContact CZ-CE1 3.79Å; Y317-F329 AromaticContact CZ-CZ 3.66Å; L327-F329 HydrophobicContact CB-CD2 4.29Å; L327-F329 HydrophobicContact CB-CE2 3.6Å; L327-F329 HydrophobicContact CB-CZ 4.21Å; L327-F329 HydrophobicContact CD1-CE2 3.72Å; L327-F329 HydrophobicContact CD1-CZ 3.61Å; L327-F329 HydrophobicContact CG-CE2 4.34Å; F329-I333 WeakPolarHBondContact CE1-O 3.34Å; F329-P336 HydrophobicContact CD1-CB 4.32Å; F329-P336 HydrophobicContact CE1-CB 3.97Å; F329-P336 HydrophobicContact CE2-CB 4.48Å; F329-P336 HydrophobicContact CZ-CB 4.06Å
330K93.3Very high91.7Very high26 Ų2649.5 Ų49.511%0.11325%0.253CS..SBendtrans-107.7-128.1169.5-60.4176.7-176.7166.10106.5P272 H332 A337 N357 Y359 L360 L361P272-K330 HydrophobicContact CB-CG 4.24Å; P272-K330 HydrophobicContact CG-CG 4.48Å; K330-H332 VanDerWaalsContact C-N 3.34Å; K330-H332 PolarHBondContact O-N 2.94Å; K330-A337 HydrophobicContact CB-CB 4.49Å; K330-A337 HydrophobicContact CD-CB 3.87Å; K330-A337 HydrophobicContact CG-CB 3.92Å; K330-N357 VanDerWaalsContact CE-OD1 3.29Å; K330-N357 WeakPolarHBondContact CE-OD1 3.27Å; K330-N357 PolarHBondContact NZ-OD1 3.08Å; K330-Y359 WeakPolarHBondContact CE-O 3.45Å; K330-L360 HydrophobicContact CB-CD2 3.88Å; K330-L360 HydrophobicContact CG-CD2 4.48Å; K330-L361 HydrophobicContact CD-CD2 4.35Å; K330-L361 HydrophobicContact CD-CG 3.99Å
331E90.6Very high91.9Very high11 Ų1151.1 Ų51.15%0.05126%0.258CS..SBendtrans-71.9-27.3-178.1-59.194142.800113.7W266 L360 L361 A362 L406W266-E331 HydrophobicContact CD2-CB 4.35Å; W266-E331 HydrophobicContact CD2-CG 4.15Å; W266-E331 HydrophobicContact CE3-CG 3.97Å; W266-E331 HydrophobicContact CH2-CB 4Å; W266-E331 HydrophobicContact CH2-CG 3.84Å; W266-E331 HydrophobicContact CZ2-CB 3.68Å; W266-E331 HydrophobicContact CZ2-CG 3.99Å; W266-E331 HydrophobicContact CZ3-CB 4.45Å; W266-E331 HydrophobicContact CZ3-CG 3.82Å; W266-E331 PolarHBondContact NE1-O 2.88Å; W266-E331 VanDerWaalsContact NE1-O 3.07Å; E331-L360 HydrophobicContact CG-CD2 4.26Å; E331-L361 PolarHBondContact OE1-N 3.12Å; E331-L361 WeakPolarHBondContact OE2-CB 3.36Å; E331-L361 PolarHBondContact OE2-N 2.92Å; E331-L361 VanDerWaalsContact OE2-N 3.09Å; E331-A362 PolarHBondContact OE1-N 3.28Å; E331-L406 HydrophobicContact CB-CD1 3.41Å; E331-L406 VanDerWaalsContact CB-CD1 3.41Å; E331-L406 HydrophobicContact CG-CD1 3.47Å; E331-L406 VanDerWaalsContact CG-CD1 3.47Å
332H89Confident92Very high87 Ų8749.9 Ų49.940%0.40326%0.255SS..  trans-88.2118.7176.7-73.8-31.9000112.3K330 L406 L410K330-H332 VanDerWaalsContact C-N 3.34Å; K330-H332 PolarHBondContact O-N 2.94Å; H332-L406 WeakPolarHBondContact NE2-CD2 3.44Å; H332-L410 VanDerWaalsContact NE2-CD1 3.33Å; H332-L410 WeakPolarHBondContact NE2-CD1 3.33Å
333I86.9Confident92Very high37 Ų3751.2 Ų51.219%0.1926%0.259CS..SBendtrans-83.7-29.1-180-58.3178.3000112.1L263 Y317 F329 K335L263-I333 HydrophobicContact CB-CB 4.41Å; L263-I333 HydrophobicContact CB-CD1 4.23Å; L263-I333 HydrophobicContact CB-CG1 4Å; L263-I333 HydrophobicContact CB-CG2 3.78Å; L263-I333 HydrophobicContact CD1-CG2 3.86Å; L263-I333 HydrophobicContact CG-CG2 4.48Å; L263-I333 WeakPolarHBondContact O-CD1 3.28Å; L263-I333 WeakPolarHBondContact O-CG1 3.46Å; Y317-I333 PolarHBondContact OH-O 2.88Å; F329-I333 WeakPolarHBondContact CE1-O 3.34Å; I333-K335 PolarHBondContact O-N 3.08Å
334N86.3Confident91.7Very high137 Ų13753.6 Ų53.673%0.73329%0.288SS*.SBendtrans-75.9-23.9-172.3-67.4-18000113.9
335K88.9Confident91.4Very high161 Ų16153.4 Ų53.470%0.729%0.285SS*.SBendtrans-138.9127.6179.7-174.2-167.8172.8-173.10108.2I333I333-K335 PolarHBondContact O-N 3.08Å
336P93.3Very high91.2Very high17 Ų1759.8 Ų59.811%0.1131%0.313CS..  trans-61.8147.1172.328.5-35.5000110.5L327 I328 F329 I339L327-P336 HydrophobicContact CB-CB 4.2Å; L327-P336 HydrophobicContact CD2-CB 4.49Å; L327-P336 HydrophobicContact CD2-CG 4.39Å; I328-P336 CarbonylContact O-C 3.42Å; I328-P336 WeakPolarHBondContact O-CA 3.25Å; F329-P336 HydrophobicContact CD1-CB 4.32Å; F329-P336 HydrophobicContact CE1-CB 3.97Å; F329-P336 HydrophobicContact CE2-CB 4.48Å; F329-P336 HydrophobicContact CZ-CB 4.06Å; P336-I339 HydrophobicContact CB-CG1 4.24Å; P336-I339 HydrophobicContact CG-CD1 3.7Å; P336-I339 HydrophobicContact CG-CG1 3.8Å
337A91.9Very high91Very high53 Ų5361.3 Ų61.344%0.43832%0.319SS..SBendtrans-72.6-34.4173.100000111.4I328 K330I328-A337 PolarHBondContact O-N 3.36Å; K330-A337 HydrophobicContact CB-CB 4.49Å; K330-A337 HydrophobicContact CD-CB 3.87Å; K330-A337 HydrophobicContact CG-CB 3.92Å
338D93.4Very high90.9Very high53 Ų5368 Ų6828%0.28335%0.351SS..EExtended strand (participates in β ladder)trans-151.7156-179.1-149.4-18000111.9I328 F353 N357I328-D338 PolarHBondContact N-O 3.36Å; I328-D338 PolarHBondContact O-N 3.06Å; D338-F353 HydrophobicContact CB-CE2 3.84Å; D338-F353 HydrophobicContact CB-CZ 4.03Å; D338-F353 VanDerWaalsContact CG-CE2 3.43Å; D338-N357 PolarHBondContact OD2-ND2 2.88Å
339I94.8Very high90.7Very high88 Ų8871.8 Ų71.845%0.45137%0.37SS..EExtended strand (participates in β ladder)trans-142.9129.3-173.6-52.5-172.5000110.4T325 L327 P336T325-I339 HydrophobicContact CG2-CG2 4.19Å; L327-I339 HydrophobicContact CD2-CB 4.21Å; L327-I339 HydrophobicContact CD2-CD1 4.07Å; L327-I339 HydrophobicContact CD2-CG1 3.79Å; L327-I339 HydrophobicContact CD2-CG2 3.82Å; P336-I339 HydrophobicContact CB-CG1 4.24Å; P336-I339 HydrophobicContact CG-CD1 3.7Å; P336-I339 HydrophobicContact CG-CG1 3.8Å
340I94.6Very high90.6Very high37 Ų3772.3 Ų72.319%0.1937%0.373CS..EExtended strand (participates in β ladder)trans-130.2139.7165.8-168.8168.4000111.7L326 M345 I349 F353L326-I340 HydrophobicContact CB-CG2 3.76Å; L326-I340 HydrophobicContact CD2-CG2 4.04Å; L326-I340 HydrophobicContact CG-CG2 4.38Å; L326-I340 PolarHBondContact N-O 2.77Å; L326-I340 PolarHBondContact O-N 2.96Å; I340-M345 HydrophobicContact CG1-SD 4.42Å; I340-M345 HydrophobicContact CG2-SD 4.11Å; I340-I349 HydrophobicContact CD1-CG2 3.45Å; I340-I349 VanDerWaalsContact CD1-CG2 3.45Å; I340-F353 HydrophobicContact CB-CD2 3.91Å; I340-F353 HydrophobicContact CB-CE1 4.48Å; I340-F353 HydrophobicContact CB-CE2 3.77Å; I340-F353 HydrophobicContact CB-CG 4.33Å; I340-F353 HydrophobicContact CB-CZ 4.07Å; I340-F353 HydrophobicContact CG2-CD1 3.67Å; I340-F353 HydrophobicContact CG2-CD2 3.85Å; I340-F353 HydrophobicContact CG2-CE1 3.59Å; I340-F353 HydrophobicContact CG2-CE2 3.78Å; I340-F353 HydrophobicContact CG2-CG 3.79Å; I340-F353 HydrophobicContact CG2-CZ 3.66Å
341Q92.4Very high90.7Very high96 Ų9672.8 Ų72.845%0.44938%0.376SS..EExtended strand (participates in β ladder)trans-141.8105.7-173.2-179.5-176.2-4.600109.7N320 T323 T325N320-Q341 VanDerWaalsContact CB-NE2 3.32Å; T323-Q341 PolarHBondContact OG1-NE2 2.96Å; T325-Q341 HydrophobicContact CG2-CB 4.2Å; T325-Q341 HydrophobicContact CG2-CG 4.46Å
342A89.3Confident90.9Very high39 Ų3977 Ų7732%0.32240%0.4SS..  trans-154.2145.4177.800000111.3P324 M345P324-A342 WeakPolarHBondContact CG-O 3.45Å; A342-M345 HydrophobicContact CB-CG 3.75Å
343R86.8Confident91.1Very high182 Ų18273.5 Ų73.569%0.68738%0.383SS*.THydrogen-bonded Turntrans-78.9132.9171.5-70.5-179.2173.3164.1-1.4109.4Y322 T323Y322-R343 PolarHBondContact O-NE 3.01Å; Y322-R343 PolarHBondContact O-NH2 3.27Å; T323-R343 HydrophobicContact CG2-CG 4.06Å
344G83.3Confident91.5Very high72 Ų7271.8 Ų71.874%0.74237%0.374SS*.THydrogen-bonded Turntrans6543.9179.100000113.5K346G344-K346 PolarHBondContact O-N 3.08Å; G344-K346 VanDerWaalsContact O-N 3.09Å
345M87.9Confident91.8Very high22 Ų2267.8 Ų67.811%0.10836%0.361CS..  trans-53.4115.6174.7-75.1-179.5-74.800110.7L276 L286 P324 I340 A342 I350L276-M345 HydrophobicContact CD1-CE 4.46Å; L286-M345 WeakPolarHBondContact CD2-O 3.14Å; P324-M345 HydrophobicContact CB-CE 4.26Å; P324-M345 HydrophobicContact CG-CE 4.4Å; I340-M345 HydrophobicContact CG1-SD 4.42Å; I340-M345 HydrophobicContact CG2-SD 4.11Å; A342-M345 HydrophobicContact CB-CG 3.75Å; M345-I350 HydrophobicContact CB-CD1 3.91Å; M345-I350 HydrophobicContact CB-CG1 3.91Å
346K90.8Very high91.9Very high136 Ų13667.1 Ų67.159%0.59136%0.36SS*.  trans-68150.3173.1-65.6-166.2175.2-162.70110.3G344 Q348 I349 I350G344-K346 PolarHBondContact O-N 3.08Å; G344-K346 VanDerWaalsContact O-N 3.09Å; K346-Q348 VanDerWaalsContact C-N 3.32Å; K346-Q348 PolarHBondContact O-N 2.68Å; K346-I349 HydrophobicContact CB-CD1 4.32Å; K346-I349 WeakPolarHBondContact O-CB 3.31Å; K346-I349 PolarHBondContact O-N 3.42Å; K346-I350 PolarHBondContact O-N 3.08Å
347K91.4Very high91.9Very high33 Ų3366.8 Ų66.814%0.14336%0.357CS..Hα-helixtrans-46.8-51.3179178.2157.5-169.5167.20113.4L191 G192 L286 I349 I350 D351L191-K347 VanDerWaalsContact O-CD 3.24Å; L191-K347 WeakPolarHBondContact O-CD 3.5Å; L191-K347 PolarHBondContact O-NZ 3.2Å; G192-K347 PolarHBondContact O-NZ 2.93Å; L286-K347 HydrophobicContact CD1-CB 3.89Å; L286-K347 HydrophobicContact CD1-CD 4.29Å; L286-K347 HydrophobicContact CD1-CG 4.25Å; K347-I349 VanDerWaalsContact C-N 3.27Å; K347-I349 PolarHBondContact O-N 3.35Å; K347-I350 WeakPolarHBondContact O-CA 3.43Å; K347-I350 WeakPolarHBondContact O-CB 3.5Å; K347-I350 PolarHBondContact O-N 2.93Å; K347-D351 WeakPolarHBondContact CE-OD2 3.48Å; K347-D351 WeakPolarHBondContact CG-OD2 3.31Å; K347-D351 PolarHBondContact O-N 3.1Å
348Q92.5Very high91.9Very high142 Ų14266 Ų6666%0.66434%0.344SS*.Hα-helixtrans-49.3-45.1179-68.3168.4-26.200113K346 I350 D351 D352K346-Q348 VanDerWaalsContact C-N 3.32Å; K346-Q348 PolarHBondContact O-N 2.68Å; Q348-I350 VanDerWaalsContact C-N 3.32Å; Q348-I350 PolarHBondContact O-N 2.92Å; Q348-D351 PolarHBondContact O-N 2.92Å; Q348-D352 WeakPolarHBondContact O-CB 3.15Å; Q348-D352 VanDerWaalsContact O-CG 3.28Å; Q348-D352 PolarHBondContact O-N 3.13Å
349I93.1Very high91.9Very high79 Ų7966 Ų6641%0.40534%0.34SS..Hα-helixtrans-67.1-35.8-178.3-58.6172.3000111.1I340 K346 K347 F353I340-I349 HydrophobicContact CD1-CG2 3.45Å; I340-I349 VanDerWaalsContact CD1-CG2 3.45Å; K346-I349 HydrophobicContact CB-CD1 4.32Å; K346-I349 WeakPolarHBondContact O-CB 3.31Å; K346-I349 PolarHBondContact O-N 3.42Å; K347-I349 VanDerWaalsContact C-N 3.27Å; K347-I349 PolarHBondContact O-N 3.35Å; I349-F353 VanDerWaalsContact O-CB 3.27Å; I349-F353 WeakPolarHBondContact O-CB 3.33Å; I349-F353 PolarHBondContact O-N 3.3Å
350I93.3Very high91.8Very high10 Ų1062.4 Ų62.45%0.05132%0.322CS..Hα-helixtrans-73.6-45.3177.2-57.7174.4000110.1L286 T290 L326 M345 K346 K347 Q348 D352 F353 I354L286-I350 HydrophobicContact CD2-CD1 3.71Å; L286-I350 HydrophobicContact CG-CD1 4.06Å; T290-I350 HydrophobicContact CG2-CG2 3.99Å; L326-I350 HydrophobicContact CD2-CG2 4.21Å; M345-I350 HydrophobicContact CB-CD1 3.91Å; M345-I350 HydrophobicContact CB-CG1 3.91Å; K346-I350 PolarHBondContact O-N 3.08Å; K347-I350 WeakPolarHBondContact O-CA 3.43Å; K347-I350 WeakPolarHBondContact O-CB 3.5Å; K347-I350 PolarHBondContact O-N 2.93Å; Q348-I350 VanDerWaalsContact C-N 3.32Å; Q348-I350 PolarHBondContact O-N 2.92Å; I350-D352 PolarHBondContact O-N 2.93Å; I350-F353 PolarHBondContact O-N 3.46Å; I350-I354 HydrophobicContact CG2-CD1 3.63Å; I350-I354 HydrophobicContact CG2-CG1 4.33Å; I350-I354 WeakPolarHBondContact O-CB 3.42Å; I350-I354 VanDerWaalsContact O-CG1 3.25Å; I350-I354 WeakPolarHBondContact O-CG1 3.31Å; I350-I354 PolarHBondContact O-N 3.02Å
351D93.8Very high91.6Very high36 Ų3662.3 Ų62.319%0.19332%0.322CS..Hα-helixtrans-62.9-41.5178.9-69.9-14.8000111.2Y294 K347 Q348 A355Y294-D351 PolarHBondContact OH-O 2.98Å; K347-D351 WeakPolarHBondContact CE-OD2 3.48Å; K347-D351 WeakPolarHBondContact CG-OD2 3.31Å; K347-D351 PolarHBondContact O-N 3.1Å; Q348-D351 PolarHBondContact O-N 2.92Å; D351-A355 WeakPolarHBondContact O-CB 3.13Å; D351-A355 PolarHBondContact O-N 2.97Å
352D94.4Very high91.6Very high101 Ų10157.8 Ų57.854%0.5430%0.301SS..Hα-helixtrans-62.8-45.7174.6-77.2-29.4000112.3Q348 I350 A355 Q356Q348-D352 WeakPolarHBondContact O-CB 3.15Å; Q348-D352 VanDerWaalsContact O-CG 3.28Å; Q348-D352 PolarHBondContact O-N 3.13Å; I350-D352 PolarHBondContact O-N 2.93Å; D352-A355 PolarHBondContact O-N 2.84Å; D352-Q356 VanDerWaalsContact O-CG 3.31Å; D352-Q356 WeakPolarHBondContact O-CG 3.36Å; D352-Q356 PolarHBondContact O-N 2.83Å; D352-Q356 VanDerWaalsContact O-N 3.09Å; D352-Q356 PolarHBondContact O-NE2 3.12Å; D352-Q356 VanDerWaalsContact O-NE2 3.14Å
353F94.3Very high91.8Very high13 Ų1356.1 Ų56.16%0.05729%0.286CS..Hα-helixtrans-65.6-39.5179.4175.5-103000112.2L326 I328 D338 I340 I349 I350 N357L326-F353 HydrophobicContact CB-CE1 4.4Å; L326-F353 HydrophobicContact CD2-CD1 3.67Å; L326-F353 HydrophobicContact CD2-CE1 3.68Å; L326-F353 HydrophobicContact CG-CD1 4.4Å; L326-F353 HydrophobicContact CG-CE1 3.89Å; I328-F353 HydrophobicContact CD1-CD1 3.76Å; I328-F353 HydrophobicContact CD1-CE1 3.41Å; I328-F353 VanDerWaalsContact CD1-CE1 3.41Å; I328-F353 HydrophobicContact CD1-CZ 3.99Å; I328-F353 HydrophobicContact CG1-CD1 4.4Å; I328-F353 HydrophobicContact CG1-CE1 3.59Å; I328-F353 HydrophobicContact CG1-CZ 4.03Å; D338-F353 HydrophobicContact CB-CE2 3.84Å; D338-F353 HydrophobicContact CB-CZ 4.03Å; D338-F353 VanDerWaalsContact CG-CE2 3.43Å; I340-F353 HydrophobicContact CB-CD2 3.91Å; I340-F353 HydrophobicContact CB-CE1 4.48Å; I340-F353 HydrophobicContact CB-CE2 3.77Å; I340-F353 HydrophobicContact CB-CG 4.33Å; I340-F353 HydrophobicContact CB-CZ 4.07Å; I340-F353 HydrophobicContact CG2-CD1 3.67Å; I340-F353 HydrophobicContact CG2-CD2 3.85Å; I340-F353 HydrophobicContact CG2-CE1 3.59Å; I340-F353 HydrophobicContact CG2-CE2 3.78Å; I340-F353 HydrophobicContact CG2-CG 3.79Å; I340-F353 HydrophobicContact CG2-CZ 3.66Å; I349-F353 VanDerWaalsContact O-CB 3.27Å; I349-F353 WeakPolarHBondContact O-CB 3.33Å; I349-F353 PolarHBondContact O-N 3.3Å; I350-F353 PolarHBondContact O-N 3.46Å; F353-N357 PolarHBondContact O-ND2 2.91Å; F353-N357 VanDerWaalsContact O-ND2 3.12Å
354I94.7Very high92.1Very high0 Ų048.5 Ų48.50%026%0.258CS..Hα-helixtrans-69-44.2173.7-70.1171.7000110.8Y294 L298 F300 I350 Q356 N357 K358Y294-I354 HydrophobicContact CD1-CG2 3.58Å; Y294-I354 HydrophobicContact CD2-CD1 4.34Å; Y294-I354 HydrophobicContact CD2-CG2 3.88Å; Y294-I354 HydrophobicContact CE1-CG2 3.73Å; Y294-I354 HydrophobicContact CE2-CB 4.49Å; Y294-I354 HydrophobicContact CE2-CG2 4.03Å; Y294-I354 HydrophobicContact CG-CG2 3.66Å; L298-I354 HydrophobicContact CD1-CG2 3.53Å; L298-I354 HydrophobicContact CD2-CG2 4.09Å; L298-I354 HydrophobicContact CG-CG2 4.49Å; F300-I354 HydrophobicContact CE1-CD1 3.9Å; F300-I354 HydrophobicContact CZ-CD1 4.06Å; I350-I354 HydrophobicContact CG2-CD1 3.63Å; I350-I354 HydrophobicContact CG2-CG1 4.33Å; I350-I354 WeakPolarHBondContact O-CB 3.42Å; I350-I354 VanDerWaalsContact O-CG1 3.25Å; I350-I354 WeakPolarHBondContact O-CG1 3.31Å; I350-I354 PolarHBondContact O-N 3.02Å; I354-Q356 PolarHBondContact O-N 3.5Å; I354-N357 CarbonylContact O-C 3.55Å; I354-N357 VanDerWaalsContact O-C 3.32Å; I354-N357 PolarHBondContact O-N 2.95Å; I354-K358 PolarHBondContact O-N 3.46Å
355A93.1Very high92.5Very high54 Ų5445 Ų4545%0.44622%0.222SC..Hα-helixtrans-61.9-40-178.300000112.8D351 D352 N357 K358D351-A355 WeakPolarHBondContact O-CB 3.13Å; D351-A355 PolarHBondContact O-N 2.97Å; D352-A355 PolarHBondContact O-N 2.84Å; A355-N357 PolarHBondContact O-N 2.85Å; A355-K358 WeakPolarHBondContact O-CB 3.48Å
356Q92.1Very high92.7Very high147 Ų14744.2 Ų44.269%0.68722%0.218SC*.Hα-helixtrans-61.6-31.1173.4-72.3170.161.800112.7D352 I354D352-Q356 VanDerWaalsContact O-CG 3.31Å; D352-Q356 WeakPolarHBondContact O-CG 3.36Å; D352-Q356 PolarHBondContact O-N 2.83Å; D352-Q356 VanDerWaalsContact O-N 3.09Å; D352-Q356 PolarHBondContact O-NE2 3.12Å; D352-Q356 VanDerWaalsContact O-NE2 3.14Å; I354-Q356 PolarHBondContact O-N 3.5Å
357N92.6Very high92.7Very high10 Ų1038.5 Ų38.55%0.05320%0.196CC..THydrogen-bonded Turntrans-109.216.3-174.5-73.7-70.3000114.4I328 K330 D338 F353 I354 A355 Y359I328-N357 HydrophobicContact CD1-CB 3.5Å; I328-N357 HydrophobicContact CG2-CB 4.17Å; K330-N357 VanDerWaalsContact CE-OD1 3.29Å; K330-N357 WeakPolarHBondContact CE-OD1 3.27Å; K330-N357 PolarHBondContact NZ-OD1 3.08Å; D338-N357 PolarHBondContact OD2-ND2 2.88Å; F353-N357 PolarHBondContact O-ND2 2.91Å; F353-N357 VanDerWaalsContact O-ND2 3.12Å; I354-N357 CarbonylContact O-C 3.55Å; I354-N357 VanDerWaalsContact O-C 3.32Å; I354-N357 PolarHBondContact O-N 2.95Å; A355-N357 PolarHBondContact O-N 2.85Å; N357-Y359 PolarHBondContact O-N 2.84Å
358K91.7Very high92.7Very high35 Ų3538.5 Ų38.515%0.15220%0.196CC..  trans-53.5-24.3-172.8-175-176.2170-155.40115.7Y297 I354 A355 E373Y297-K358 HydrophobicContact CD1-CD 4.45Å; Y297-K358 HydrophobicContact CD1-CG 4.44Å; Y297-K358 VanDerWaalsContact CE1-NZ 3.33Å; Y297-K358 HydrophobicContact CG-CD 4.35Å; Y297-K358 HydrophobicContact CG-CG 4.14Å; I354-K358 PolarHBondContact O-N 3.46Å; A355-K358 WeakPolarHBondContact O-CB 3.48Å; K358-E373 IonicContact NZ-OE2 3.16Å; K358-E373 PolarHBondContact NZ-OE2 2.88Å
359Y92.6Very high92.5Very high55 Ų5536.9 Ų36.922%0.21619%0.187CC..SBendtrans-127.5156.3-175.6-44.9-75.4000112.9P272 K330 N357 L370 E373 L374P272-Y359 VanDerWaalsContact CG-C 3.44Å; K330-Y359 WeakPolarHBondContact CE-O 3.45Å; N357-Y359 PolarHBondContact O-N 2.84Å; Y359-L370 HydrophobicContact CD1-CD1 4.25Å; Y359-L370 HydrophobicContact CE1-CD1 4.19Å; Y359-E373 PolarHBondContact OH-OE2 2.87Å; Y359-E373 VanDerWaalsContact OH-OE2 3.04Å; Y359-L374 HydrophobicContact CD1-CD2 3.84Å; Y359-L374 HydrophobicContact CD2-CD2 3.89Å; Y359-L374 HydrophobicContact CE1-CD2 4.19Å; Y359-L374 HydrophobicContact CE2-CD2 4.23Å; Y359-L374 HydrophobicContact CG-CD2 3.67Å
360L92.8Very high92.4Very high12 Ų1234.3 Ų34.36%0.06317%0.174CC..  trans-62161.3166.1-66.3177.3000111.1W266 P272 K330 E331 A363W266-L360 HydrophobicContact CB-CD1 4.43Å; W266-L360 HydrophobicContact CB-CD2 4.3Å; W266-L360 HydrophobicContact CE3-CD1 4.09Å; P272-L360 HydrophobicContact CB-CD2 4.38Å; P272-L360 HydrophobicContact CG-CD2 4.03Å; P272-L360 HydrophobicContact CG-CG 4.23Å; K330-L360 HydrophobicContact CB-CD2 3.88Å; K330-L360 HydrophobicContact CG-CD2 4.48Å; E331-L360 HydrophobicContact CG-CD2 4.26Å; L360-A363 HydrophobicContact CB-CB 4.09Å
361L91.4Very high92.3Very high35 Ų3533.9 Ų33.918%0.18317%0.172CC..THydrogen-bonded Turntrans-70.3-38.5-178.1-66.3160.2000112K330 E331 L410 T413K330-L361 HydrophobicContact CD-CD2 4.35Å; K330-L361 HydrophobicContact CD-CG 3.99Å; E331-L361 PolarHBondContact OE1-N 3.12Å; E331-L361 WeakPolarHBondContact OE2-CB 3.36Å; E331-L361 PolarHBondContact OE2-N 2.92Å; E331-L361 VanDerWaalsContact OE2-N 3.09Å; L361-L410 HydrophobicContact CD1-CD2 3.48Å; L361-L410 VanDerWaalsContact CD1-CD2 3.48Å; L361-L410 HydrophobicContact CD1-CG 3.9Å; L361-L410 HydrophobicContact CD2-CD2 4.22Å; L361-L410 HydrophobicContact CG-CD2 4.49Å; L361-T413 HydrophobicContact CD2-CG2 4.23Å
362A92.5Very high92.2Very high1 Ų136 Ų361%0.00818%0.18CC..EExtended strand (participates in β ladder)trans-129.762.4176.500000109.6E331 F402 F405 F419 H421E331-A362 PolarHBondContact OE1-N 3.28Å; A362-F402 HydrophobicContact CB-CZ 4.43Å; A362-F405 HydrophobicContact CB-CD1 4.21Å; A362-F405 HydrophobicContact CB-CE1 4.01Å; A362-F419 WeakPolarHBondContact CA-O 3.44Å; A362-F419 HydrophobicContact CB-CB 4.39Å; A362-H421 PolarHBondContact O-CE1 3.37Å; A362-H421 PolarHBondContact O-ND1 2.93Å
363A93.1Very high92Very high3 Ų334.1 Ų34.13%0.02517%0.168CC..EExtended strand (participates in β ladder)trans-58.3147.3-175.900000113.5L360 L374 V420 H421L360-A363 HydrophobicContact CB-CB 4.09Å; A363-L374 HydrophobicContact CB-CD1 3.81Å; A363-V420 CarbonylContact O-C 3.52Å; A363-V420 VanDerWaalsContact O-CA 3.29Å; A363-V420 WeakPolarHBondContact O-CA 3.46Å; A363-H421 PolarHBondContact O-N 2.91Å
364R92.8Very high91.7Very high22 Ų2234.1 Ų34.18%0.08317%0.169CC..EExtended strand (participates in β ladder)trans-74.2136.2173.6-173.7166.740.1136.4-10109.5Q267 Q268 N270 T366 L370 H421 Y423 E504Q267-R364 PolarHBondContact O-NH2 3.19Å; Q268-R364 PolarHBondContact O-NH2 2.82Å; N270-R364 PolarHBondContact ND2-O 2.82Å; N270-R364 WeakPolarHBondContact OD1-CB 3.37Å; N270-R364 PolarHBondContact OD1-N 3.14Å; R364-T366 VanDerWaalsContact C-N 3.33Å; R364-T366 HydrophobicContact CB-CG2 3.99Å; R364-T366 HydrophobicContact CG-CG2 3.62Å; R364-T366 PolarHBondContact O-N 2.98Å; R364-L370 WeakPolarHBondContact O-CD2 3.36Å; R364-H421 CarbonylContact C-O 3.59Å; R364-H421 WeakPolarHBondContact CA-O 3.44Å; R364-H421 VanDerWaalsContact CB-CE1 3.46Å; R364-H421 WeakPolarHBondContact CB-CE1 3.49Å; R364-H421 PolarHBondContact N-CE1 2.98Å; R364-H421 PolarHBondContact N-ND1 3.27Å; R364-Y423 VanDerWaalsContact CD-CE2 3.42Å; R364-E504 IonicContact CZ-OE2 2.7Å; R364-E504 IonicContact NH1-OE2 3.9Å; R364-E504 PolarHBondContact NH1-OE2 3.17Å
365L92.8Very high91.5Very high0 Ų034.3 Ų34.30%017%0.17CC..  trans-82.478.4171.9-60.1-176.4000110.7F371 L374 V420 H421 V422 F430 L501L365-F371 HydrophobicContact CD1-CD2 3.6Å; L365-F371 HydrophobicContact CD1-CE2 4.04Å; L365-F371 HydrophobicContact CD1-CG 4.36Å; L365-F371 HydrophobicContact CD2-CB 4.24Å; L365-F371 HydrophobicContact CD2-CD2 4.1Å; L365-F371 HydrophobicContact CG-CD2 4.48Å; L365-L374 HydrophobicContact CD2-CD1 4Å; L365-V420 HydrophobicContact CD1-CB 4.48Å; L365-V420 HydrophobicContact CD1-CG2 4.01Å; L365-V420 HydrophobicContact CD2-CB 4.01Å; L365-V420 HydrophobicContact CD2-CG1 4Å; L365-V420 HydrophobicContact CD2-CG2 4.32Å; L365-V420 HydrophobicContact CG-CB 4.08Å; L365-V420 HydrophobicContact CG-CG2 4.16Å; L365-H421 PolarHBondContact N-O 3.43Å; L365-V422 HydrophobicContact CB-CG2 4.11Å; L365-V422 HydrophobicContact CD1-CG2 3.89Å; L365-V422 HydrophobicContact CG-CG2 4.18Å; L365-F430 HydrophobicContact CD1-CZ 4.08Å; L365-L501 HydrophobicContact CB-CD1 3.85Å; L365-L501 HydrophobicContact CD1-CD1 4.45Å
366T91.3Very high91.4Very high4 Ų433.8 Ų33.83%0.02516%0.162CC..  trans-84.3-12.9-177.653.40000115N270 R364 T502 D503 E504 L505N270-T366 HydrophobicContact CB-CG2 4.43Å; N270-T366 PolarHBondContact ND2-OG1 3.23Å; R364-T366 VanDerWaalsContact C-N 3.33Å; R364-T366 HydrophobicContact CB-CG2 3.99Å; R364-T366 HydrophobicContact CG-CG2 3.62Å; R364-T366 PolarHBondContact O-N 2.98Å; T366-T502 VanDerWaalsContact O-O 3.13Å; T366-D503 WeakPolarHBondContact O-CA 3.48Å; T366-E504 HydrophobicContact CG2-CB 4.25Å; T366-E504 PolarHBondContact O-N 3.5Å; T366-L505 HydrophobicContact CG2-CD1 4.05Å; T366-L505 HydrophobicContact CG2-CG 4.16Å
367S90.8Very high91.1Very high17 Ų1728.5 Ų28.512%0.11914%0.14CC..SBendtrans-161157.1179.672.80000112.9K369 L370 F371 D503S367-K369 VanDerWaalsContact C-N 3.3Å; S367-K369 PolarHBondContact O-N 3.27Å; S367-L370 PolarHBondContact O-N 3.32Å; S367-L370 VanDerWaalsContact O-N 3.1Å; S367-F371 PolarHBondContact O-N 2.94Å; S367-F371 VanDerWaalsContact O-N 3.07Å; S367-D503 VanDerWaalsContact CB-OD2 3.28Å; S367-D503 WeakPolarHBondContact CB-OD2 3.34Å
368Q90.8Very high90.4Very high32 Ų3231.2 Ų31.215%0.1515%0.151CC..Hα-helixtrans-64.1-31.5-175.9-162.866-17.700113.3F371 H372 D500Q368-F371 PolarHBondContact O-N 2.88Å; Q368-H372 WeakPolarHBondContact O-CB 3.28Å; Q368-H372 PolarHBondContact O-CD2 2.9Å; Q368-H372 VanDerWaalsContact O-CG 3.27Å; Q368-H372 PolarHBondContact O-N 2.85Å; Q368-D500 PolarHBondContact NE2-OD1 2.89Å
369K89.8Confident89.6Confident108 Ų10839.6 Ų39.647%0.4718%0.182SC..Hα-helixtrans-60.2-47.6171.7179.1-173.8166.8-166.50111.2Y297 S367 H372 E373Y297-K369 PolarHBondContact OH-NZ 3.29Å; Y297-K369 VanDerWaalsContact OH-NZ 3.11Å; S367-K369 VanDerWaalsContact C-N 3.3Å; S367-K369 PolarHBondContact O-N 3.27Å; K369-H372 WeakPolarHBondContact O-CB 3.37Å; K369-H372 PolarHBondContact O-N 3.41Å; K369-E373 WeakPolarHBondContact CE-OE1 3.34Å; K369-E373 PolarHBondContact O-N 3.33Å
370L90.4Very high88.6Confident25 Ų2539.7 Ų39.713%0.13119%0.19CC..Hα-helixtrans-66.8-39.4-178.9-176.959.2000111.5N270 Y359 R364 S367 H372 E373 L374N270-L370 VanDerWaalsContact ND2-CD2 3.33Å; N270-L370 WeakPolarHBondContact ND2-CD2 3.45Å; Y359-L370 HydrophobicContact CD1-CD1 4.25Å; Y359-L370 HydrophobicContact CE1-CD1 4.19Å; R364-L370 WeakPolarHBondContact O-CD2 3.36Å; S367-L370 PolarHBondContact O-N 3.32Å; S367-L370 VanDerWaalsContact O-N 3.1Å; L370-H372 VanDerWaalsContact C-N 3.31Å; L370-H372 PolarHBondContact O-N 3.48Å; L370-E373 PolarHBondContact O-N 2.86Å; L370-L374 HydrophobicContact CD1-CD1 3.76Å; L370-L374 HydrophobicContact CD1-CG 3.97Å; L370-L374 HydrophobicContact CD2-CD1 4.47Å; L370-L374 HydrophobicContact CG-CD1 3.78Å; L370-L374 HydrophobicContact CG-CG 4.37Å; L370-L374 WeakPolarHBondContact O-CB 3.27Å; L370-L374 WeakPolarHBondContact O-CG 3.16Å; L370-L374 PolarHBondContact O-N 3.32Å
371F91.4Very high87.4Confident1 Ų145.3 Ų45.30%0.00422%0.216CC..Hα-helixtrans-62-36.9172.2-179.8-132.7000112.4L365 S367 Q368 C375 F430 R452 L498 L501L365-F371 HydrophobicContact CD1-CD2 3.6Å; L365-F371 HydrophobicContact CD1-CE2 4.04Å; L365-F371 HydrophobicContact CD1-CG 4.36Å; L365-F371 HydrophobicContact CD2-CB 4.24Å; L365-F371 HydrophobicContact CD2-CD2 4.1Å; L365-F371 HydrophobicContact CG-CD2 4.48Å; S367-F371 PolarHBondContact O-N 2.94Å; S367-F371 VanDerWaalsContact O-N 3.07Å; Q368-F371 PolarHBondContact O-N 2.88Å; F371-C375 HydrophobicContact CD2-CB 3.71Å; F371-C375 HydrophobicContact CE2-CB 3.6Å; F371-C375 CarbonylContact O-C 3.48Å; F371-C375 WeakPolarHBondContact O-CA 3.25Å; F371-C375 VanDerWaalsContact O-CB 3.32Å; F371-C375 WeakPolarHBondContact O-CB 3.45Å; F371-C375 PolarHBondContact O-N 2.81Å; F371-F430 HydrophobicContact CE1-CE2 4.22Å; F371-F430 HydrophobicContact CE2-CZ 4.4Å; F371-F430 HydrophobicContact CZ-CE2 4.14Å; F371-F430 HydrophobicContact CZ-CZ 4.3Å; F371-R452 HydrophobicContact CZ-CG 4.35Å; F371-L498 HydrophobicContact CE1-CD1 4.26Å; F371-L498 HydrophobicContact CZ-CD1 3.84Å; F371-L501 HydrophobicContact CB-CD1 3.56Å; F371-L501 HydrophobicContact CD1-CD1 4.12Å; F371-L501 HydrophobicContact CG-CD1 3.91Å
372H90.4Very high86.3Confident81 Ų8155.2 Ų55.238%0.37525%0.251SS..Hα-helixtrans-69.3-32.8175.7-75.7-153.5000113.4Q368 K369 L370 R452Q368-H372 WeakPolarHBondContact O-CB 3.28Å; Q368-H372 PolarHBondContact O-CD2 2.9Å; Q368-H372 VanDerWaalsContact O-CG 3.27Å; Q368-H372 PolarHBondContact O-N 2.85Å; K369-H372 WeakPolarHBondContact O-CB 3.37Å; K369-H372 PolarHBondContact O-N 3.41Å; L370-H372 VanDerWaalsContact C-N 3.31Å; L370-H372 PolarHBondContact O-N 3.48Å; H372-R452 PolarHBondContact CD2-NH1 3.35Å; H372-R452 PolarHBondContact CD2-NH2 3Å; H372-R452 PolarHBondContact NE2-NH1 3.42Å; H372-R452 PolarHBondContact NE2-NH2 2.9Å
373E89.9Confident85.3Confident61 Ų6161.2 Ų61.229%0.28528%0.279SS..Hα-helixtrans-77.7-40177-72.8-178.3-152.600113K358 Y359 K369 L370K358-E373 IonicContact NZ-OE2 3.16Å; K358-E373 PolarHBondContact NZ-OE2 2.88Å; Y359-E373 PolarHBondContact OH-OE2 2.87Å; Y359-E373 VanDerWaalsContact OH-OE2 3.04Å; K369-E373 WeakPolarHBondContact CE-OE1 3.34Å; K369-E373 PolarHBondContact O-N 3.33Å; L370-E373 PolarHBondContact O-N 2.86Å
374L89.8Confident84.6Confident13 Ų1363.8 Ų63.87%0.06829%0.288CS..Hα-helixtrans-81.2-41.4180-65.7173.8000112.9Y359 A363 L365 L370 P376 V420Y359-L374 HydrophobicContact CD1-CD2 3.84Å; Y359-L374 HydrophobicContact CD2-CD2 3.89Å; Y359-L374 HydrophobicContact CE1-CD2 4.19Å; Y359-L374 HydrophobicContact CE2-CD2 4.23Å; Y359-L374 HydrophobicContact CG-CD2 3.67Å; A363-L374 HydrophobicContact CB-CD1 3.81Å; L365-L374 HydrophobicContact CD2-CD1 4Å; L370-L374 HydrophobicContact CD1-CD1 3.76Å; L370-L374 HydrophobicContact CD1-CG 3.97Å; L370-L374 HydrophobicContact CD2-CD1 4.47Å; L370-L374 HydrophobicContact CG-CD1 3.78Å; L370-L374 HydrophobicContact CG-CG 4.37Å; L370-L374 WeakPolarHBondContact O-CB 3.27Å; L370-L374 WeakPolarHBondContact O-CG 3.16Å; L370-L374 PolarHBondContact O-N 3.32Å; L374-P376 VanDerWaalsContact C-CD 3.45Å; L374-P376 VanDerWaalsContact O-CD 3.22Å; L374-P376 WeakPolarHBondContact O-CD 3.14Å; L374-V420 HydrophobicContact CB-CG1 4.28Å; L374-V420 HydrophobicContact CD1-CG1 3.9Å
375C90.2Very high84.3Confident4 Ų466.6 Ų66.63%0.02730%0.301CS..SBendtrans-116.778.2-178.9-55.30000109.6F371 C387 R452F371-C375 HydrophobicContact CD2-CB 3.71Å; F371-C375 HydrophobicContact CE2-CB 3.6Å; F371-C375 CarbonylContact O-C 3.48Å; F371-C375 WeakPolarHBondContact O-CA 3.25Å; F371-C375 VanDerWaalsContact O-CB 3.32Å; F371-C375 WeakPolarHBondContact O-CB 3.45Å; F371-C375 PolarHBondContact O-N 2.81Å; C375-C387 WeakPolarHBondContact CA-SG 3.38Å; C375-C387 HydrophobicContact CB-CB 4.1Å; C375-C387 WeakPolarHBondContact CB-SG 3.14Å; C375-C387 WeakPolarHBondContact SG-CB 3.42Å; C375-C387 CovalentContact SG-SG 2.03Å; C375-C387 PolarHBondContact SG-SG 2.89Å; C375-R452 WeakPolarHBondContact O-CD 3.48Å; C375-R452 PolarHBondContact O-NH1 3.34Å
376P89.6Confident84.2Confident43 Ų4367.3 Ų67.328%0.27930%0.304SS..  trans-71.9151.1178.130.4-35.9000111.6L374 K385L374-P376 VanDerWaalsContact C-CD 3.45Å; L374-P376 VanDerWaalsContact O-CD 3.22Å; L374-P376 WeakPolarHBondContact O-CD 3.14Å; P376-K385 HydrophobicContact CG-CD 4.07Å
377V85.4Confident84.3Confident37 Ų3767.2 Ų67.222%0.22430%0.303CS..  trans-64.2140.9173.4-178.20000110.8R379 N454 T455V377-R379 PolarHBondContact O-N 3.32Å; V377-N454 VanDerWaalsContact CG2-O 3.31Å; V377-N454 WeakPolarHBondContact CG2-O 3.5Å; V377-T455 HydrophobicContact CG2-CG2 4.19Å
378K79.3Confident84.5Confident66 Ų6666.4 Ų66.429%0.28730%0.298SS..  trans-52.4105177-176.8-156.4-173.8-173.60112.2H381 E451 R452K378-H381 PolarHBondContact NZ-CD2 2.9Å; K378-H381 PolarHBondContact NZ-NE2 3.09Å; K378-E451 WeakPolarHBondContact CD-OE1 3.39Å; K378-E451 WeakPolarHBondContact CE-OE1 3.25Å; K378-E451 WeakPolarHBondContact CG-OE1 3.11Å; K378-R452 WeakPolarHBondContact CB-O 3.42Å; K378-R452 PolarHBondContact N-O 3.4Å
379R74.4Confident84.7Confident212 Ų21264.9 Ų64.980%0.829%0.291SS*.  trans-82.6-32.8176.8-64.1-173.9180-173.3-1.2113.8V377V377-R379 PolarHBondContact O-N 3.32Å
380S71.4Confident85Confident56 Ų5659.8 Ų59.839%0.39227%0.268SS..  trans-161.5157.1-178.6178.10000110.6R382 Q383S380-R382 PolarHBondContact O-N 3.1Å; S380-Q383 CarbonylContact O-C 3.59Å; S380-Q383 PolarHBondContact O-N 2.68Å
381H68.6Low85.1Confident131 Ų13158.7 Ų58.761%0.60626%0.263SS*.THydrogen-bonded Turntrans-59.8-26175.2-78.8-119.8000113.2K378K378-H381 PolarHBondContact NZ-CD2 2.9Å; K378-H381 PolarHBondContact NZ-NE2 3.09Å
382R68.3Low85Confident242 Ų24259 Ų5991%0.91326%0.264SS*.THydrogen-bonded Turntrans-85.9-6.5174.6-66.4-175179.6177.30.1114.2S380S380-R382 PolarHBondContact O-N 3.1Å
383Q71.6Confident84.8Confident128 Ų12856.7 Ų56.760%0.59826%0.26SS*.SBendtrans-127.744.3-178.9-69.1-174.2-16.900110.8S380S380-Q383 CarbonylContact O-C 3.59Å; S380-Q383 PolarHBondContact O-N 2.68Å
384R77.9Confident84.5Confident57 Ų5757.6 Ų57.622%0.21526%0.264CS..  trans-68.2137.5167.3-77.4-174.2162.6123.8-12.6110E451 P489R384-E451 IonicContact CZ-OE2 2.84Å; R384-E451 IonicContact NE-OE1 2.8Å; R384-E451 PolarHBondContact NE-OE1 3.08Å; R384-E451 IonicContact NE-OE2 2.79Å; R384-E451 PolarHBondContact NE-OE2 3.47Å; R384-E451 VanDerWaalsContact NE-OE2 3.13Å; R384-E451 IonicContact NH2-OE2 2.77Å; R384-P489 VanDerWaalsContact NH2-CB 3.27Å
385K86.4Confident83.8Confident80 Ų8060.4 Ų60.435%0.34828%0.282SS..  trans-127.8127.2163.6-66.6-164.6175.8-164.80108.2P376 D415 T416P376-K385 HydrophobicContact CG-CD 4.07Å; K385-D415 WeakPolarHBondContact CE-O 3.36Å; K385-T416 WeakPolarHBondContact CA-O 3.43Å
386Y90.5Very high82.3Confident15 Ų1565.8 Ų65.86%0.05933%0.327CS..EExtended strand (participates in β ladder)trans-96.6134.6173.5-56.1-58.2000108.8T416 V417 R418 L450 E451 L485 L492Y386-T416 PolarHBondContact N-O 2.88Å; Y386-V417 WeakPolarHBondContact O-CA 3.36Å; Y386-R418 PolarHBondContact O-N 2.75Å; Y386-L450 WeakPolarHBondContact CA-O 3.28Å; Y386-E451 HydrophobicContact CD1-CB 4.09Å; Y386-E451 HydrophobicContact CE1-CB 4.25Å; Y386-L485 HydrophobicContact CE2-CB 4.21Å; Y386-L485 PolarHBondContact OH-O 3.4Å; Y386-L492 HydrophobicContact CD1-CD1 4.35Å; Y386-L492 HydrophobicContact CE1-CD1 4.22Å
387C93.3Very high81.2Confident3 Ų372.1 Ų72.12%0.0235%0.35CS..EExtended strand (participates in β ladder)trans-100.8122.5170-84.40000109.8C375 R418 I449 L450C375-C387 WeakPolarHBondContact CA-SG 3.38Å; C375-C387 HydrophobicContact CB-CB 4.1Å; C375-C387 WeakPolarHBondContact CB-SG 3.14Å; C375-C387 WeakPolarHBondContact SG-CB 3.42Å; C375-C387 CovalentContact SG-SG 2.03Å; C375-C387 PolarHBondContact SG-SG 2.89Å; C387-R418 CarbonylContact C-O 3.58Å; C387-R418 WeakPolarHBondContact CA-O 3.4Å; C387-I449 CarbonylContact O-C 3.49Å; C387-I449 WeakPolarHBondContact O-CA 3.39Å; C387-L450 HydrophobicContact CB-CD1 3.95Å; C387-L450 HydrophobicContact CB-CG 4.23Å; C387-L450 PolarHBondContact N-O 3.15Å; C387-L450 PolarHBondContact O-N 2.94Å
388V95Very high80.4Confident0 Ų074 Ų740%036%0.358CS..EExtended strand (participates in β ladder)trans-94.6110.7171.7-174.40000107F405 V417 R418 F419 V420 V447 I449 L478 L482V388-F405 HydrophobicContact CG1-CE2 3.75Å; V388-F405 HydrophobicContact CG1-CZ 4.01Å; V388-V417 HydrophobicContact CG2-CG1 3.66Å; V388-R418 PolarHBondContact N-O 2.82Å; V388-F419 HydrophobicContact CB-CD1 3.7Å; V388-F419 HydrophobicContact CB-CE1 3.95Å; V388-F419 HydrophobicContact CG1-CD1 4Å; V388-F419 HydrophobicContact CG1-CE1 4.13Å; V388-F419 HydrophobicContact CG2-CD1 4.2Å; V388-F419 HydrophobicContact CG2-CE1 3.97Å; V388-F419 WeakPolarHBondContact O-CA 3.37Å; V388-V420 PolarHBondContact O-N 3.13Å; V388-V447 HydrophobicContact CG1-CG1 3.53Å; V388-I449 HydrophobicContact CG2-CG1 4.36Å; V388-I449 HydrophobicContact CG2-CG2 4.34Å; V388-L478 HydrophobicContact CG1-CD1 4.43Å; V388-L482 HydrophobicContact CG2-CD2 4Å
389V95.4Very high80.5Confident0 Ų072 Ų720%035%0.352CS..EExtended strand (participates in β ladder)trans-103116.8-174.6-170.10000109.2L391 V420 V422 F430 V447 S448 L450V389-L391 HydrophobicContact CG1-CD2 3.8Å; V389-L391 HydrophobicContact CG1-CG 4.48Å; V389-V420 WeakPolarHBondContact CA-O 3.44Å; V389-V420 HydrophobicContact CB-CG2 4.22Å; V389-V420 HydrophobicContact CG1-CG2 4.28Å; V389-V420 HydrophobicContact CG2-CG2 3.79Å; V389-V422 HydrophobicContact CG1-CG2 3.71Å; V389-F430 HydrophobicContact CG1-CE1 4.5Å; V389-V447 WeakPolarHBondContact O-CA 3.27Å; V389-S448 PolarHBondContact N-O 3.04Å; V389-S448 PolarHBondContact O-N 3.48Å; V389-L450 HydrophobicContact CG2-CD2 3.68Å; V389-L450 HydrophobicContact CG2-CG 4.14Å
390L94.9Very high81Confident0 Ų070.1 Ų70.10%035%0.35CS..EExtended strand (participates in β ladder)trans-84112.1164.6177.369.6000109.2T392 F402 F405 V420 H421 V422 V447 W468L390-T392 HydrophobicContact CD2-CG2 4.43Å; L390-T392 HydrophobicContact CG-CG2 4.45Å; L390-F402 HydrophobicContact CD2-CB 4.19Å; L390-F402 HydrophobicContact CD2-CD2 3.72Å; L390-F402 HydrophobicContact CD2-CG 4.35Å; L390-F405 HydrophobicContact CB-CD1 3.86Å; L390-F405 HydrophobicContact CB-CD2 4.12Å; L390-F405 HydrophobicContact CB-CE1 3.7Å; L390-F405 HydrophobicContact CB-CE2 3.98Å; L390-F405 HydrophobicContact CB-CG 4.05Å; L390-F405 HydrophobicContact CB-CZ 3.76Å; L390-F405 HydrophobicContact CD1-CD2 4.42Å; L390-F405 HydrophobicContact CD1-CG 4.46Å; L390-F405 HydrophobicContact CD2-CB 3.91Å; L390-F405 HydrophobicContact CD2-CD1 3.84Å; L390-F405 HydrophobicContact CD2-CE1 4.49Å; L390-F405 HydrophobicContact CD2-CG 3.88Å; L390-F405 HydrophobicContact CG-CD1 4.42Å; L390-F405 HydrophobicContact CG-CG 4.36Å; L390-V420 PolarHBondContact N-O 3.42Å; L390-H421 HydrophobicContact CB-CB 4.03Å; L390-H421 HydrophobicContact CD2-CB 4.48Å; L390-H421 CarbonylContact O-C 3.59Å; L390-H421 VanDerWaalsContact O-CA 3.22Å; L390-H421 WeakPolarHBondContact O-CA 3.5Å; L390-H421 WeakPolarHBondContact O-CB 3.45Å; L390-V422 PolarHBondContact O-N 2.88Å; L390-V447 HydrophobicContact CD1-CG2 3.82Å; L390-W468 HydrophobicContact CD1-CG 4.27Å
391L92.5Very high81.9Confident3 Ų368.6 Ų68.62%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-86.2127.2166.7-54.5177.7000107.6V389 V422 A431 L434 L435 S445 A446V389-L391 HydrophobicContact CG1-CD2 3.8Å; V389-L391 HydrophobicContact CG1-CG 4.48Å; L391-V422 HydrophobicContact CD2-CB 3.97Å; L391-V422 HydrophobicContact CD2-CG2 4.27Å; L391-A431 HydrophobicContact CD2-CB 4.31Å; L391-L434 HydrophobicContact CD1-CB 3.9Å; L391-L434 HydrophobicContact CD2-CD1 4.48Å; L391-L435 HydrophobicContact CD1-CD2 3.83Å; L391-L435 HydrophobicContact CD1-CG 3.81Å; L391-S445 CarbonylContact O-C 3.5Å; L391-S445 WeakPolarHBondContact O-CA 3.4Å; L391-S445 WeakPolarHBondContact O-CB 3.45Å; L391-A446 HydrophobicContact CB-CB 4.45Å; L391-A446 PolarHBondContact N-O 2.93Å; L391-A446 PolarHBondContact O-N 3.08Å
392T91.1Very high82.9Confident6 Ų662.8 Ų62.84%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-152.6153.9179.4-173.20000111.2L390 V422 Y423 S424 S445L390-T392 HydrophobicContact CD2-CG2 4.43Å; L390-T392 HydrophobicContact CG-CG2 4.45Å; T392-V422 PolarHBondContact N-O 2.9Å; T392-V422 VanDerWaalsContact N-O 3.11Å; T392-Y423 HydrophobicContact CG2-CD1 4.08Å; T392-Y423 HydrophobicContact CG2-CE1 4.23Å; T392-Y423 CarbonylContact O-C 3.32Å; T392-Y423 VanDerWaalsContact O-CA 3.27Å; T392-Y423 WeakPolarHBondContact O-CA 3.32Å; T392-S424 PolarHBondContact O-N 3.26Å; T392-S424 PolarHBondContact O-OG 2.93Å; T392-S445 PolarHBondContact OG1-OG 3.07Å
393A85.9Confident84Confident34 Ų3456.5 Ų56.528%0.28129%0.293SS..  trans-67.7147.1165.600000110.8
394E83Confident84.9Confident79 Ų7951 Ų5137%0.36927%0.269SS..  trans-66.7124.2169.7-177.8-179.5-178.900110.5Y423 N425 R426E394-Y423 HydrophobicContact CB-CD1 4.04Å; E394-Y423 HydrophobicContact CB-CD2 4.19Å; E394-Y423 HydrophobicContact CB-CE1 4.46Å; E394-Y423 HydrophobicContact CB-CG 3.93Å; E394-Y423 HydrophobicContact CG-CD2 4.19Å; E394-Y423 HydrophobicContact CG-CE2 4.24Å; E394-Y423 HydrophobicContact CG-CG 4.43Å; E394-N425 WeakPolarHBondContact CB-OD1 3.45Å; E394-N425 PolarHBondContact N-OD1 3.26Å; E394-N425 PolarHBondContact OE2-ND2 3.05Å; E394-R426 IonicContact OE1-CZ 4Å; E394-R426 IonicContact OE1-NE 3.84Å; E394-R426 IonicContact OE1-NH2 2.73Å; E394-R426 PolarHBondContact OE1-NH2 3.45Å; E394-R426 IonicContact OE2-CZ 3.13Å; E394-R426 IonicContact OE2-NE 3.73Å; E394-R426 PolarHBondContact OE2-NE 3.02Å; E394-R426 IonicContact OE2-NH2 2.72Å; E394-R426 PolarHBondContact OE2-NH2 3.28Å; E394-R426 VanDerWaalsContact OE2-NH2 3.13Å
395T74.4Confident85.7Confident73 Ų7348.2 Ų48.245%0.44826%0.258SS..  trans-129.2136179.9550000111.3K397T395-K397 PolarHBondContact O-N 2.75Å; T395-K397 VanDerWaalsContact O-O 3.12Å; T395-K397 PolarHBondContact OG1-O 2.92Å
396A59.5Low86Confident117 Ų11744.6 Ų44.697%0.96724%0.243SC*.SBendtrans-66.54.8-178.200000115.4
397K66.4Low86Confident176 Ų17646.3 Ų46.377%0.76526%0.257SS*.SBendtrans-139.6154.8168.2-69.1-176.4178.8177.60107.9T395 S399T395-K397 PolarHBondContact O-N 2.75Å; T395-K397 VanDerWaalsContact O-O 3.12Å; T395-K397 PolarHBondContact OG1-O 2.92Å; K397-S399 PolarHBondContact O-N 3.48Å
398L69Low86Confident77 Ų7746.6 Ų46.640%0.40326%0.258SS..  trans-54.6121.6172.5-156.474.8000109.4W266 F402 E403W266-L398 HydrophobicContact CH2-CD1 3.81Å; W266-L398 HydrophobicContact CZ2-CD1 4.13Å; L398-F402 HydrophobicContact CD1-CD1 3.46Å; L398-F402 VanDerWaalsContact CD1-CD1 3.46Å; L398-F402 HydrophobicContact CD1-CE1 3.74Å; L398-F402 HydrophobicContact CD1-CG 4.35Å; L398-F402 HydrophobicContact CD2-CD1 4.47Å; L398-F402 HydrophobicContact CG-CD1 3.94Å; L398-E403 HydrophobicContact CD2-CB 4.17Å; L398-E403 HydrophobicContact CD2-CG 4.47Å
399S80.4Confident85.9Confident22 Ų2246.6 Ų46.615%0.15426%0.258CS..  trans-79.5145.1-177.974.40000110.3K397 P401 F402 E403K397-S399 PolarHBondContact O-N 3.48Å; S399-P401 VanDerWaalsContact C-CD 3.46Å; S399-P401 VanDerWaalsContact C-N 3.31Å; S399-F402 WeakPolarHBondContact O-CB 3.44Å; S399-F402 PolarHBondContact O-N 2.6Å; S399-F402 WeakPolarHBondContact OG-CB 3.29Å; S399-F402 PolarHBondContact OG-N 2.87Å; S399-E403 PolarHBondContact O-N 2.97Å
400K86.1Confident85.7Confident173 Ų17349.9 Ų49.975%0.75228%0.275SS*.Hα-helixtrans-54.5-40.6175.8-67.6-176.8176.6-176.50113F402 E403 A404K400-F402 VanDerWaalsContact C-N 3.33Å; K400-F402 PolarHBondContact O-N 2.95Å; K400-E403 PolarHBondContact O-N 2.84Å; K400-A404 WeakPolarHBondContact O-CB 3.48Å; K400-A404 PolarHBondContact O-N 3.13Å
401P89.3Confident85.5Confident25 Ų2553.7 Ų53.716%0.16231%0.306CS..Hα-helixtrans-63.2-35.9175-2233.8000113.1S399 F405 W468S399-P401 VanDerWaalsContact C-CD 3.46Å; S399-P401 VanDerWaalsContact C-N 3.31Å; P401-F405 VanDerWaalsContact O-CB 3.28Å; P401-F405 WeakPolarHBondContact O-CB 3.47Å; P401-F405 PolarHBondContact O-N 3.45Å; P401-W468 PolarHBondContact O-NE1 2.88Å
402F90.6Very high85.4Confident9 Ų954.7 Ų54.74%0.03931%0.312CS..Hα-helixtrans-68.4-45.3174.5-176.4-82000112.2W266 A362 L390 L398 S399 K400 A404 F405 L406 H421W266-F402 AromaticContact CH2-CE1 3.98Å; W266-F402 HydrophobicContact CH2-CE1 3.98Å; W266-F402 HydrophobicContact CH2-CZ 4.23Å; W266-F402 HydrophobicContact CZ3-CZ 4.41Å; A362-F402 HydrophobicContact CB-CZ 4.43Å; L390-F402 HydrophobicContact CD2-CB 4.19Å; L390-F402 HydrophobicContact CD2-CD2 3.72Å; L390-F402 HydrophobicContact CD2-CG 4.35Å; L398-F402 HydrophobicContact CD1-CD1 3.46Å; L398-F402 VanDerWaalsContact CD1-CD1 3.46Å; L398-F402 HydrophobicContact CD1-CE1 3.74Å; L398-F402 HydrophobicContact CD1-CG 4.35Å; L398-F402 HydrophobicContact CD2-CD1 4.47Å; L398-F402 HydrophobicContact CG-CD1 3.94Å; S399-F402 WeakPolarHBondContact O-CB 3.44Å; S399-F402 PolarHBondContact O-N 2.6Å; S399-F402 WeakPolarHBondContact OG-CB 3.29Å; S399-F402 PolarHBondContact OG-N 2.87Å; K400-F402 VanDerWaalsContact C-N 3.33Å; K400-F402 PolarHBondContact O-N 2.95Å; F402-A404 VanDerWaalsContact C-N 3.32Å; F402-A404 PolarHBondContact O-N 3.1Å; F402-F405 WeakPolarHBondContact O-CB 3.26Å; F402-F405 PolarHBondContact O-N 2.91Å; F402-L406 HydrophobicContact CE1-CB 4.38Å; F402-L406 HydrophobicContact CE1-CD1 3.76Å; F402-L406 HydrophobicContact CZ-CD1 4.16Å; F402-L406 WeakPolarHBondContact O-CB 3.39Å; F402-L406 PolarHBondContact O-N 3.06Å; F402-H421 HydrophobicContact CE2-CB 4.2Å; F402-H421 AromaticContact CE2-CE1 3.77Å; F402-H421 AromaticContact CE2-CG 3.74Å; F402-H421 AromaticContact CE2-ND1 3.55Å
403E90.6Very high84.9Confident110 Ų11058.7 Ų58.751%0.51434%0.336SS..Hα-helixtrans-61.3-41.7177.4-175172.4-153.200111.4L398 S399 K400 L406 S407L398-E403 HydrophobicContact CD2-CB 4.17Å; L398-E403 HydrophobicContact CD2-CG 4.47Å; S399-E403 PolarHBondContact O-N 2.97Å; K400-E403 PolarHBondContact O-N 2.84Å; E403-L406 PolarHBondContact O-N 3.06Å; E403-S407 PolarHBondContact O-N 3.22Å
404A91.8Very high84.6Confident11 Ų1160.7 Ų60.79%0.09134%0.34CS..Hα-helixtrans-63.5-43.8173.100000112.5K400 F402 L406 S407 F408 W468 G470K400-A404 WeakPolarHBondContact O-CB 3.48Å; K400-A404 PolarHBondContact O-N 3.13Å; F402-A404 VanDerWaalsContact C-N 3.32Å; F402-A404 PolarHBondContact O-N 3.1Å; A404-L406 VanDerWaalsContact C-N 3.31Å; A404-L406 PolarHBondContact O-N 3.3Å; A404-S407 PolarHBondContact O-N 2.97Å; A404-S407 PolarHBondContact O-OG 3.49Å; A404-F408 PolarHBondContact O-N 3.14Å; A404-W468 HydrophobicContact CB-CZ2 4.47Å; A404-G470 WeakPolarHBondContact CB-O 3.29Å
405F93.8Very high84.4Confident0 Ų062.4 Ų62.40%035%0.352CS..Hα-helixtrans-60.8-39.6175.3-177-104.6000112A362 V388 L390 P401 F402 F408 A409 F419 V447 W468A362-F405 HydrophobicContact CB-CD1 4.21Å; A362-F405 HydrophobicContact CB-CE1 4.01Å; V388-F405 HydrophobicContact CG1-CE2 3.75Å; V388-F405 HydrophobicContact CG1-CZ 4.01Å; L390-F405 HydrophobicContact CB-CD1 3.86Å; L390-F405 HydrophobicContact CB-CD2 4.12Å; L390-F405 HydrophobicContact CB-CE1 3.7Å; L390-F405 HydrophobicContact CB-CE2 3.98Å; L390-F405 HydrophobicContact CB-CG 4.05Å; L390-F405 HydrophobicContact CB-CZ 3.76Å; L390-F405 HydrophobicContact CD1-CD2 4.42Å; L390-F405 HydrophobicContact CD1-CG 4.46Å; L390-F405 HydrophobicContact CD2-CB 3.91Å; L390-F405 HydrophobicContact CD2-CD1 3.84Å; L390-F405 HydrophobicContact CD2-CE1 4.49Å; L390-F405 HydrophobicContact CD2-CG 3.88Å; L390-F405 HydrophobicContact CG-CD1 4.42Å; L390-F405 HydrophobicContact CG-CG 4.36Å; P401-F405 VanDerWaalsContact O-CB 3.28Å; P401-F405 WeakPolarHBondContact O-CB 3.47Å; P401-F405 PolarHBondContact O-N 3.45Å; F402-F405 WeakPolarHBondContact O-CB 3.26Å; F402-F405 PolarHBondContact O-N 2.91Å; F405-F408 WeakPolarHBondContact O-CB 3.36Å; F405-F408 PolarHBondContact O-N 3.42Å; F405-A409 WeakPolarHBondContact O-CB 3.14Å; F405-A409 PolarHBondContact O-N 2.94Å; F405-F419 HydrophobicContact CE1-CB 4.06Å; F405-F419 HydrophobicContact CE1-CD1 4.4Å; F405-F419 HydrophobicContact CE2-CD1 4.17Å; F405-F419 HydrophobicContact CZ-CB 4.11Å; F405-F419 AromaticContact CZ-CD1 3.81Å; F405-F419 HydrophobicContact CZ-CD1 3.81Å; F405-F419 HydrophobicContact CZ-CG 4.46Å; F405-V447 HydrophobicContact CD2-CG2 4.02Å; F405-V447 HydrophobicContact CE2-CG1 4.26Å; F405-V447 HydrophobicContact CE2-CG2 4.03Å; F405-W468 HydrophobicContact CB-CZ2 4.16Å; F405-W468 HydrophobicContact CD2-CZ2 4.35Å
406L92.1Very high84.9Confident4 Ų462 Ų622%0.02135%0.349CS..Hα-helixtrans-71-38.4177.8-165.6140.3000112.3E331 H332 F402 E403 A404 F408 A409 L410E331-L406 HydrophobicContact CB-CD1 3.41Å; E331-L406 VanDerWaalsContact CB-CD1 3.41Å; E331-L406 HydrophobicContact CG-CD1 3.47Å; E331-L406 VanDerWaalsContact CG-CD1 3.47Å; H332-L406 WeakPolarHBondContact NE2-CD2 3.44Å; F402-L406 HydrophobicContact CE1-CB 4.38Å; F402-L406 HydrophobicContact CE1-CD1 3.76Å; F402-L406 HydrophobicContact CZ-CD1 4.16Å; F402-L406 WeakPolarHBondContact O-CB 3.39Å; F402-L406 PolarHBondContact O-N 3.06Å; E403-L406 PolarHBondContact O-N 3.06Å; A404-L406 VanDerWaalsContact C-N 3.31Å; A404-L406 PolarHBondContact O-N 3.3Å; L406-F408 VanDerWaalsContact C-N 3.25Å; L406-F408 PolarHBondContact O-N 2.86Å; L406-A409 PolarHBondContact O-N 3.05Å; L406-L410 HydrophobicContact CD2-CD1 3.82Å; L406-L410 HydrophobicContact CD2-CG 4.33Å; L406-L410 PolarHBondContact O-N 2.9Å
407S91.9Very high86.3Confident50 Ų5056.7 Ų56.735%0.3531%0.305SS..Hα-helixtrans-60.7-36.9171.378.30000112E403 A404 A411E403-S407 PolarHBondContact O-N 3.22Å; A404-S407 PolarHBondContact O-N 2.97Å; A404-S407 PolarHBondContact O-OG 3.49Å; S407-A411 PolarHBondContact O-N 3.28Å
408F93.4Very high87.5Confident10 Ų1052.6 Ų52.64%0.04428%0.284CS..Hα-helixtrans-69.9-45.2175-177.4-89.4000111.9A404 F405 L406 L410 A411 N412 F419 K475 L478 L479 L482A404-F408 PolarHBondContact O-N 3.14Å; F405-F408 WeakPolarHBondContact O-CB 3.36Å; F405-F408 PolarHBondContact O-N 3.42Å; L406-F408 VanDerWaalsContact C-N 3.25Å; L406-F408 PolarHBondContact O-N 2.86Å; F408-L410 PolarHBondContact O-N 3.23Å; F408-A411 PolarHBondContact O-N 2.92Å; F408-N412 HydrophobicContact CE1-CB 4.35Å; F408-N412 WeakPolarHBondContact O-CB 3.36Å; F408-N412 PolarHBondContact O-N 2.91Å; F408-N412 PolarHBondContact O-ND2 2.91Å; F408-F419 AromaticContact CD1-CE1 3.81Å; F408-F419 HydrophobicContact CD1-CE1 3.81Å; F408-F419 HydrophobicContact CD1-CZ 4.2Å; F408-F419 AromaticContact CE1-CE1 3.82Å; F408-F419 HydrophobicContact CE1-CE1 3.82Å; F408-F419 HydrophobicContact CE1-CZ 4.07Å; F408-K475 HydrophobicContact CD2-CB 3.9Å; F408-K475 HydrophobicContact CD2-CG 4.03Å; F408-K475 HydrophobicContact CE2-CB 4.33Å; F408-K475 VanDerWaalsContact CE2-O 3.27Å; F408-K475 WeakPolarHBondContact CE2-O 3.2Å; F408-L478 HydrophobicContact CD1-CD2 3.76Å; F408-L478 HydrophobicContact CD1-CG 4.47Å; F408-L478 HydrophobicContact CE1-CD2 3.52Å; F408-L478 HydrophobicContact CE1-CG 3.75Å; F408-L478 HydrophobicContact CE2-CB 4.36Å; F408-L478 HydrophobicContact CE2-CD2 4.43Å; F408-L478 HydrophobicContact CE2-CG 4.41Å; F408-L478 HydrophobicContact CG-CD2 4.33Å; F408-L478 HydrophobicContact CZ-CB 4.07Å; F408-L478 HydrophobicContact CZ-CD2 3.88Å; F408-L478 HydrophobicContact CZ-CG 3.71Å; F408-L479 HydrophobicContact CE2-CB 4.01Å; F408-L479 HydrophobicContact CZ-CB 4.18Å; F408-L482 HydrophobicContact CE1-CD1 3.85Å; F408-L482 HydrophobicContact CZ-CD1 4.01Å
409A92.9Very high88.8Confident0 Ų049.4 Ų49.40%027%0.267CS..Hα-helixtrans-58.7-45.5178.100000111.5F405 L406 A411 N412 T413 F419F405-A409 WeakPolarHBondContact O-CB 3.14Å; F405-A409 PolarHBondContact O-N 2.94Å; L406-A409 PolarHBondContact O-N 3.05Å; A409-A411 PolarHBondContact O-N 3.13Å; A409-N412 CarbonylContact O-C 3.54Å; A409-N412 PolarHBondContact O-N 2.78Å; A409-N412 VanDerWaalsContact O-N 3.14Å; A409-T413 VanDerWaalsContact O-CG2 3.25Å; A409-T413 WeakPolarHBondContact O-CG2 3.2Å; A409-T413 PolarHBondContact O-N 3.34Å; A409-T413 VanDerWaalsContact O-N 3.1Å; A409-F419 HydrophobicContact CB-CB 3.86Å; A409-F419 HydrophobicContact CB-CD1 3.93Å; A409-F419 HydrophobicContact CB-CD2 3.56Å; A409-F419 HydrophobicContact CB-CE1 4.41Å; A409-F419 HydrophobicContact CB-CE2 4.08Å; A409-F419 HydrophobicContact CB-CG 3.49Å; A409-F419 VanDerWaalsContact CB-CG 3.49Å; A409-F419 HydrophobicContact CB-CZ 4.48Å
410L91.1Very high89.5Confident68 Ų6848.3 Ų48.336%0.35626%0.26SS..Hα-helixtrans-56.2-44.5175.4-85.8169.6000113.5H332 L361 L406 F408 N412H332-L410 VanDerWaalsContact NE2-CD1 3.33Å; H332-L410 WeakPolarHBondContact NE2-CD1 3.33Å; L361-L410 HydrophobicContact CD1-CD2 3.48Å; L361-L410 VanDerWaalsContact CD1-CD2 3.48Å; L361-L410 HydrophobicContact CD1-CG 3.9Å; L361-L410 HydrophobicContact CD2-CD2 4.22Å; L361-L410 HydrophobicContact CG-CD2 4.49Å; L406-L410 HydrophobicContact CD2-CD1 3.82Å; L406-L410 HydrophobicContact CD2-CG 4.33Å; L406-L410 PolarHBondContact O-N 2.9Å; F408-L410 PolarHBondContact O-N 3.23Å; L410-N412 PolarHBondContact O-N 3.04Å
411A90.3Very high89.8Confident80 Ų8040.3 Ų40.366%0.66123%0.225SC*.Hα-helixtrans-72.5-16.6-179.700000113.3S407 F408 A409S407-A411 PolarHBondContact O-N 3.28Å; F408-A411 PolarHBondContact O-N 2.92Å; A409-A411 PolarHBondContact O-N 3.13Å
412N89.2Confident90Very high25 Ų2539.1 Ų39.113%0.13422%0.217CC..THydrogen-bonded Turntrans-127.423.4-169.6-66.4-78.6000113.8F408 A409 L410 Q414 F419 L479F408-N412 HydrophobicContact CE1-CB 4.35Å; F408-N412 WeakPolarHBondContact O-CB 3.36Å; F408-N412 PolarHBondContact O-N 2.91Å; F408-N412 PolarHBondContact O-ND2 2.91Å; A409-N412 CarbonylContact O-C 3.54Å; A409-N412 PolarHBondContact O-N 2.78Å; A409-N412 VanDerWaalsContact O-N 3.14Å; L410-N412 PolarHBondContact O-N 3.04Å; N412-Q414 PolarHBondContact O-N 3.21Å; N412-F419 HydrophobicContact CB-CE2 4.45Å; N412-F419 HydrophobicContact CB-CZ 4.04Å; N412-L479 VanDerWaalsContact OD1-CD1 3.31Å; N412-L479 WeakPolarHBondContact OD1-CD1 3.22Å
413T81.4Confident90.1Very high89 Ų8940.5 Ų40.555%0.54622%0.222SC..  trans-63.7116.5175.948.80000111.2L361 A409L361-T413 HydrophobicContact CD2-CG2 4.23Å; A409-T413 VanDerWaalsContact O-CG2 3.25Å; A409-T413 WeakPolarHBondContact O-CG2 3.2Å; A409-T413 PolarHBondContact O-N 3.34Å; A409-T413 VanDerWaalsContact O-N 3.1Å
414Q80.3Confident90Very high77 Ų7736.8 Ų36.836%0.3621%0.209SC..BIsolated β-bridgetrans-143.7150.6177.1-65.3-175.5-4.700109.7N412 T416 V417 R486N412-Q414 PolarHBondContact O-N 3.21Å; Q414-T416 PolarHBondContact O-N 3.5Å; Q414-T416 VanDerWaalsContact O-N 3.1Å; Q414-V417 CarbonylContact O-C 3.53Å; Q414-V417 PolarHBondContact O-N 3.38Å; Q414-R486 VanDerWaalsContact OE1-CZ 3.23Å; Q414-R486 VanDerWaalsContact OE1-NE 3.17Å; Q414-R486 VanDerWaalsContact OE1-NH2 3.09Å
415D77Confident89.8Confident115 Ų11539.5 Ų39.562%0.61522%0.222SC*.THydrogen-bonded Turntrans-66.6-16.4-177.8-80.4-50.1000115.5K385 R418K385-D415 WeakPolarHBondContact CE-O 3.36Å; D415-R418 IonicContact OD1-NH2 3.66Å; D415-R418 PolarHBondContact OD1-NH2 2.86Å
416T85Confident89.5Confident63 Ų6345.8 Ų45.839%0.38725%0.245SC..THydrogen-bonded Turntrans-83.2-15.3174.649.30000113.8K385 Y386 Q414K385-T416 WeakPolarHBondContact CA-O 3.43Å; Y386-T416 PolarHBondContact N-O 2.88Å; Q414-T416 PolarHBondContact O-N 3.5Å; Q414-T416 VanDerWaalsContact O-N 3.1Å
417V89.8Confident89.5Confident7 Ų746 Ų464%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-131.5126.4-174.6-174.20000110.1Y386 V388 Q414 F419 L482Y386-V417 WeakPolarHBondContact O-CA 3.36Å; V388-V417 HydrophobicContact CG2-CG1 3.66Å; Q414-V417 CarbonylContact O-C 3.53Å; Q414-V417 PolarHBondContact O-N 3.38Å; V417-F419 HydrophobicContact CG1-CE1 4.33Å; V417-F419 HydrophobicContact CG1-CE2 4.01Å; V417-F419 HydrophobicContact CG1-CZ 3.84Å; V417-L482 HydrophobicContact CG1-CD2 4.28Å; V417-L482 HydrophobicContact CG2-CD2 4.38Å
418R92.4Very high89.3Confident89 Ų8949.5 Ų49.534%0.33626%0.257SS..EExtended strand (participates in β ladder)trans-120.7133.8174-66.8-69.9164148.3-6.1109.9Y386 C387 V388 D415Y386-R418 PolarHBondContact O-N 2.75Å; C387-R418 CarbonylContact C-O 3.58Å; C387-R418 WeakPolarHBondContact CA-O 3.4Å; V388-R418 PolarHBondContact N-O 2.82Å; D415-R418 IonicContact OD1-NH2 3.66Å; D415-R418 PolarHBondContact OD1-NH2 2.86Å
419F94.7Very high89.2Confident10 Ų1055.9 Ų55.94%0.04429%0.287CS..EExtended strand (participates in β ladder)trans-96.7136178.4-59-88.1000108.6A362 V388 F405 F408 A409 N412 V417A362-F419 WeakPolarHBondContact CA-O 3.44Å; A362-F419 HydrophobicContact CB-CB 4.39Å; V388-F419 HydrophobicContact CB-CD1 3.7Å; V388-F419 HydrophobicContact CB-CE1 3.95Å; V388-F419 HydrophobicContact CG1-CD1 4Å; V388-F419 HydrophobicContact CG1-CE1 4.13Å; V388-F419 HydrophobicContact CG2-CD1 4.2Å; V388-F419 HydrophobicContact CG2-CE1 3.97Å; V388-F419 WeakPolarHBondContact O-CA 3.37Å; F405-F419 HydrophobicContact CE1-CB 4.06Å; F405-F419 HydrophobicContact CE1-CD1 4.4Å; F405-F419 HydrophobicContact CE2-CD1 4.17Å; F405-F419 HydrophobicContact CZ-CB 4.11Å; F405-F419 AromaticContact CZ-CD1 3.81Å; F405-F419 HydrophobicContact CZ-CD1 3.81Å; F405-F419 HydrophobicContact CZ-CG 4.46Å; F408-F419 AromaticContact CD1-CE1 3.81Å; F408-F419 HydrophobicContact CD1-CE1 3.81Å; F408-F419 HydrophobicContact CD1-CZ 4.2Å; F408-F419 AromaticContact CE1-CE1 3.82Å; F408-F419 HydrophobicContact CE1-CE1 3.82Å; F408-F419 HydrophobicContact CE1-CZ 4.07Å; A409-F419 HydrophobicContact CB-CB 3.86Å; A409-F419 HydrophobicContact CB-CD1 3.93Å; A409-F419 HydrophobicContact CB-CD2 3.56Å; A409-F419 HydrophobicContact CB-CE1 4.41Å; A409-F419 HydrophobicContact CB-CE2 4.08Å; A409-F419 HydrophobicContact CB-CG 3.49Å; A409-F419 VanDerWaalsContact CB-CG 3.49Å; A409-F419 HydrophobicContact CB-CZ 4.48Å; N412-F419 HydrophobicContact CB-CE2 4.45Å; N412-F419 HydrophobicContact CB-CZ 4.04Å; V417-F419 HydrophobicContact CG1-CE1 4.33Å; V417-F419 HydrophobicContact CG1-CE2 4.01Å; V417-F419 HydrophobicContact CG1-CZ 3.84Å
420V95.1Very high89.1Confident0 Ų056.1 Ų56.10%029%0.288CS..EExtended strand (participates in β ladder)trans-146.2162.4179.8-62.70000109.2A363 L365 L374 V388 V389 L390A363-V420 CarbonylContact O-C 3.52Å; A363-V420 VanDerWaalsContact O-CA 3.29Å; A363-V420 WeakPolarHBondContact O-CA 3.46Å; L365-V420 HydrophobicContact CD1-CB 4.48Å; L365-V420 HydrophobicContact CD1-CG2 4.01Å; L365-V420 HydrophobicContact CD2-CB 4.01Å; L365-V420 HydrophobicContact CD2-CG1 4Å; L365-V420 HydrophobicContact CD2-CG2 4.32Å; L365-V420 HydrophobicContact CG-CB 4.08Å; L365-V420 HydrophobicContact CG-CG2 4.16Å; L374-V420 HydrophobicContact CB-CG1 4.28Å; L374-V420 HydrophobicContact CD1-CG1 3.9Å; V388-V420 PolarHBondContact O-N 3.13Å; V389-V420 WeakPolarHBondContact CA-O 3.44Å; V389-V420 HydrophobicContact CB-CG2 4.22Å; V389-V420 HydrophobicContact CG1-CG2 4.28Å; V389-V420 HydrophobicContact CG2-CG2 3.79Å; L390-V420 PolarHBondContact N-O 3.42Å
421H94.1Very high89Confident4 Ų452.9 Ų52.92%0.01927%0.271CS..EExtended strand (participates in β ladder)trans-133.9159.1173.476.4-85000112.8A362 A363 R364 L365 L390 F402 Y423A362-H421 PolarHBondContact O-CE1 3.37Å; A362-H421 PolarHBondContact O-ND1 2.93Å; A363-H421 PolarHBondContact O-N 2.91Å; R364-H421 CarbonylContact C-O 3.59Å; R364-H421 WeakPolarHBondContact CA-O 3.44Å; R364-H421 VanDerWaalsContact CB-CE1 3.46Å; R364-H421 WeakPolarHBondContact CB-CE1 3.49Å; R364-H421 PolarHBondContact N-CE1 2.98Å; R364-H421 PolarHBondContact N-ND1 3.27Å; L365-H421 PolarHBondContact N-O 3.43Å; L390-H421 HydrophobicContact CB-CB 4.03Å; L390-H421 HydrophobicContact CD2-CB 4.48Å; L390-H421 CarbonylContact O-C 3.59Å; L390-H421 VanDerWaalsContact O-CA 3.22Å; L390-H421 WeakPolarHBondContact O-CA 3.5Å; L390-H421 WeakPolarHBondContact O-CB 3.45Å; F402-H421 HydrophobicContact CE2-CB 4.2Å; F402-H421 AromaticContact CE2-CE1 3.77Å; F402-H421 AromaticContact CE2-CG 3.74Å; F402-H421 AromaticContact CE2-ND1 3.55Å; H421-Y423 AromaticContact CD2-CE1 3.94Å; H421-Y423 AromaticContact NE2-CZ 3.83Å
422V93.2Very high89Confident0 Ų053.8 Ų53.80%027%0.265CS..EExtended strand (participates in β ladder)trans-136.6134.9178.9-172.30000108.8L365 V389 L390 L391 T392 S424 Q427 F430L365-V422 HydrophobicContact CB-CG2 4.11Å; L365-V422 HydrophobicContact CD1-CG2 3.89Å; L365-V422 HydrophobicContact CG-CG2 4.18Å; V389-V422 HydrophobicContact CG1-CG2 3.71Å; L390-V422 PolarHBondContact O-N 2.88Å; L391-V422 HydrophobicContact CD2-CB 3.97Å; L391-V422 HydrophobicContact CD2-CG2 4.27Å; T392-V422 PolarHBondContact N-O 2.9Å; T392-V422 VanDerWaalsContact N-O 3.11Å; V422-S424 PolarHBondContact O-N 2.89Å; V422-Q427 HydrophobicContact CG1-CB 3.64Å; V422-Q427 HydrophobicContact CG1-CG 3.77Å; V422-F430 HydrophobicContact CG1-CD1 4.22Å; V422-F430 HydrophobicContact CG2-CD1 4.19Å; V422-F430 HydrophobicContact CG2-CE1 3.81Å
423Y91.4Very high89Confident38 Ų3854.7 Ų54.715%0.14927%0.271CS..EExtended strand (participates in β ladder)trans-81.6109.2168.8-66.5-38.4000109.6R364 T392 E394 H421 N425 R426 Q427R364-Y423 VanDerWaalsContact CD-CE2 3.42Å; T392-Y423 HydrophobicContact CG2-CD1 4.08Å; T392-Y423 HydrophobicContact CG2-CE1 4.23Å; T392-Y423 CarbonylContact O-C 3.32Å; T392-Y423 VanDerWaalsContact O-CA 3.27Å; T392-Y423 WeakPolarHBondContact O-CA 3.32Å; E394-Y423 HydrophobicContact CB-CD1 4.04Å; E394-Y423 HydrophobicContact CB-CD2 4.19Å; E394-Y423 HydrophobicContact CB-CE1 4.46Å; E394-Y423 HydrophobicContact CB-CG 3.93Å; E394-Y423 HydrophobicContact CG-CD2 4.19Å; E394-Y423 HydrophobicContact CG-CE2 4.24Å; E394-Y423 HydrophobicContact CG-CG 4.43Å; H421-Y423 AromaticContact CD2-CE1 3.94Å; H421-Y423 AromaticContact NE2-CZ 3.83Å; Y423-N425 PolarHBondContact O-N 3.39Å; Y423-R426 HydrophobicContact CD2-CG 4.47Å; Y423-R426 PolarHBondContact O-N 2.95Å; Y423-Q427 PolarHBondContact O-N 3.2Å
424S88.9Confident89.4Confident33 Ų3350.4 Ų50.423%0.23125%0.245CC..THydrogen-bonded Turntrans-63.1-26.6-17652.90000112.8T392 V422 R426 Q428T392-S424 PolarHBondContact O-N 3.26Å; T392-S424 PolarHBondContact O-OG 2.93Å; V422-S424 PolarHBondContact O-N 2.89Å; S424-R426 VanDerWaalsContact C-N 3.29Å; S424-R426 PolarHBondContact O-N 2.95Å; S424-Q428 WeakPolarHBondContact O-CA 3.35Å; S424-Q428 VanDerWaalsContact O-CG 3.23Å; S424-Q428 WeakPolarHBondContact O-CG 3.45Å; S424-Q428 PolarHBondContact O-N 3.33Å
425N87.3Confident89.7Confident68 Ų6848.5 Ų48.536%0.36424%0.237SC..THydrogen-bonded Turntrans-77.8-6.9172.767.1-77.4000114.4E394 Y423E394-N425 WeakPolarHBondContact CB-OD1 3.45Å; E394-N425 PolarHBondContact N-OD1 3.26Å; E394-N425 PolarHBondContact OE2-ND2 3.05Å; Y423-N425 PolarHBondContact O-N 3.39Å
426R88.4Confident89.7Confident131 Ų13146.1 Ų46.149%0.49423%0.228SC..THydrogen-bonded Turntrans-105-44.2174.7-63.1-64.9-176.81465.3111.7E394 Y423 S424 E504E394-R426 IonicContact OE1-CZ 4Å; E394-R426 IonicContact OE1-NE 3.84Å; E394-R426 IonicContact OE1-NH2 2.73Å; E394-R426 PolarHBondContact OE1-NH2 3.45Å; E394-R426 IonicContact OE2-CZ 3.13Å; E394-R426 IonicContact OE2-NE 3.73Å; E394-R426 PolarHBondContact OE2-NE 3.02Å; E394-R426 IonicContact OE2-NH2 2.72Å; E394-R426 PolarHBondContact OE2-NH2 3.28Å; E394-R426 VanDerWaalsContact OE2-NH2 3.13Å; Y423-R426 HydrophobicContact CD2-CG 4.47Å; Y423-R426 PolarHBondContact O-N 2.95Å; S424-R426 VanDerWaalsContact C-N 3.29Å; S424-R426 PolarHBondContact O-N 2.95Å; R426-E504 HydrophobicContact CB-CG 4.37Å
427Q91.5Very high88.8Confident8 Ų851.7 Ų51.74%0.03726%0.255CS..SBendtrans-11363-178.5-50.7-70-12.100109.8V422 Y423 F430 A431 L501 T502 E504V422-Q427 HydrophobicContact CG1-CB 3.64Å; V422-Q427 HydrophobicContact CG1-CG 3.77Å; Y423-Q427 PolarHBondContact O-N 3.2Å; Q427-F430 HydrophobicContact CB-CB 4.04Å; Q427-F430 PolarHBondContact O-N 2.82Å; Q427-A431 PolarHBondContact O-N 2.93Å; Q427-L501 HydrophobicContact CB-CD2 4.17Å; Q427-L501 HydrophobicContact CG-CD2 3.84Å; Q427-T502 VanDerWaalsContact CD-OG1 3.31Å; Q427-T502 PolarHBondContact NE2-O 3.01Å; Q427-T502 PolarHBondContact NE2-OG1 3.44Å; Q427-T502 PolarHBondContact OE1-OG1 3.12Å; Q427-E504 PolarHBondContact NE2-OE1 3.2Å
428Q88.9Confident87.7Confident124 Ų12454.2 Ų54.258%0.57927%0.274SS*.Hα-helixtrans-56-59.1-174-72.4176.7-18.400111.6S424 F430 A431 D432S424-Q428 WeakPolarHBondContact O-CA 3.35Å; S424-Q428 VanDerWaalsContact O-CG 3.23Å; S424-Q428 WeakPolarHBondContact O-CG 3.45Å; S424-Q428 PolarHBondContact O-N 3.33Å; Q428-F430 PolarHBondContact O-N 2.88Å; Q428-A431 PolarHBondContact O-N 3.35Å; Q428-D432 WeakPolarHBondContact O-CB 3.47Å; Q428-D432 PolarHBondContact O-N 3.46Å
429E89.6Confident86.8Confident145 Ų14558.4 Ų58.468%0.67830%0.297SS*.Hα-helixtrans-53.6-35.9-179.1-54.5-179177.100113.4T433 P499E429-T433 WeakPolarHBondContact O-CB 3.25Å; E429-T433 PolarHBondContact O-N 3.33Å; E429-T433 PolarHBondContact O-OG1 2.99Å; E429-P499 HydrophobicContact CB-CB 4.43Å; E429-P499 HydrophobicContact CB-CG 3.81Å
430F91.4Very high85.8Confident4 Ų459.7 Ų59.72%0.01831%0.31CS..Hα-helixtrans-72-42.4177.1-176.9-78.6000112.3L365 F371 V389 V422 Q427 Q428 L434 L498 P499 L501L365-F430 HydrophobicContact CD1-CZ 4.08Å; F371-F430 HydrophobicContact CE1-CE2 4.22Å; F371-F430 HydrophobicContact CE2-CZ 4.4Å; F371-F430 HydrophobicContact CZ-CE2 4.14Å; F371-F430 HydrophobicContact CZ-CZ 4.3Å; V389-F430 HydrophobicContact CG1-CE1 4.5Å; V422-F430 HydrophobicContact CG1-CD1 4.22Å; V422-F430 HydrophobicContact CG2-CD1 4.19Å; V422-F430 HydrophobicContact CG2-CE1 3.81Å; Q427-F430 HydrophobicContact CB-CB 4.04Å; Q427-F430 PolarHBondContact O-N 2.82Å; Q428-F430 PolarHBondContact O-N 2.88Å; F430-L434 HydrophobicContact CD1-CD1 4.09Å; F430-L434 HydrophobicContact CE1-CD1 3.55Å; F430-L434 HydrophobicContact CZ-CD1 4.15Å; F430-L498 HydrophobicContact CD2-CB 4.44Å; F430-L498 HydrophobicContact CD2-CD1 4.48Å; F430-L498 HydrophobicContact CD2-CD2 4.33Å; F430-L498 HydrophobicContact CE2-CB 4.4Å; F430-L498 HydrophobicContact CE2-CD1 3.74Å; F430-L498 HydrophobicContact CE2-CD2 4.28Å; F430-L498 HydrophobicContact CE2-CG 4.38Å; F430-L498 HydrophobicContact CZ-CD1 4.03Å; F430-P499 HydrophobicContact CB-CG 4.33Å; F430-L501 HydrophobicContact CB-CD2 4.14Å; F430-L501 HydrophobicContact CD1-CD2 4.45Å; F430-L501 HydrophobicContact CD2-CD2 3.52Å; F430-L501 HydrophobicContact CD2-CG 3.96Å; F430-L501 HydrophobicContact CE2-CD1 4.36Å; F430-L501 HydrophobicContact CE2-CD2 3.96Å; F430-L501 HydrophobicContact CE2-CG 4.14Å; F430-L501 HydrophobicContact CG-CD2 3.8Å
431A90.2Very high85Confident0 Ų060.4 Ų60.40%031%0.313CS..Hα-helixtrans-70.1-44.8179.100000111.2L391 Q427 Q428 T433 L434 L435L391-A431 HydrophobicContact CD2-CB 4.31Å; Q427-A431 PolarHBondContact O-N 2.93Å; Q428-A431 PolarHBondContact O-N 3.35Å; A431-T433 VanDerWaalsContact C-N 3.26Å; A431-T433 PolarHBondContact O-N 2.91Å; A431-L434 PolarHBondContact O-N 3.39Å; A431-L435 WeakPolarHBondContact O-CG 3.48Å; A431-L435 PolarHBondContact O-N 3.32Å
432D89.2Confident84.2Confident99 Ų9968 Ų6853%0.52935%0.348SS..Hα-helixtrans-64.2-32.1-179.3-59.3-24.8000111.3Q428 L434Q428-D432 WeakPolarHBondContact O-CB 3.47Å; Q428-D432 PolarHBondContact O-N 3.46Å; D432-L434 PolarHBondContact O-N 3.38Å
433T90Very high83.3Confident44 Ų4471.5 Ų71.527%0.2739%0.385SS..THydrogen-bonded Turntrans-66.6-22172.4-57.90000113.5E429 A431 Y461 A496 L498E429-T433 WeakPolarHBondContact O-CB 3.25Å; E429-T433 PolarHBondContact O-N 3.33Å; E429-T433 PolarHBondContact O-OG1 2.99Å; A431-T433 VanDerWaalsContact C-N 3.26Å; A431-T433 PolarHBondContact O-N 2.91Å; T433-Y461 PolarHBondContact O-OH 3.49Å; T433-A496 HydrophobicContact CG2-CB 3.86Å; T433-L498 HydrophobicContact CG2-CD2 3.86Å
434L89Confident83Confident0 Ų075.1 Ų75.10%040%0.401CS..THydrogen-bonded Turntrans-106.2-17.2-177.4-71.1174.4000113.8L391 F430 A431 D432 L450 Y461 T463 L498L391-L434 HydrophobicContact CD1-CB 3.9Å; L391-L434 HydrophobicContact CD2-CD1 4.48Å; F430-L434 HydrophobicContact CD1-CD1 4.09Å; F430-L434 HydrophobicContact CE1-CD1 3.55Å; F430-L434 HydrophobicContact CZ-CD1 4.15Å; A431-L434 PolarHBondContact O-N 3.39Å; D432-L434 PolarHBondContact O-N 3.38Å; L434-L450 HydrophobicContact CD1-CD2 4.18Å; L434-L450 HydrophobicContact CD2-CD2 4.34Å; L434-Y461 HydrophobicContact CD2-CD1 4.28Å; L434-Y461 HydrophobicContact CD2-CD2 3.51Å; L434-Y461 HydrophobicContact CD2-CE2 3.88Å; L434-Y461 HydrophobicContact CD2-CG 3.73Å; L434-Y461 WeakPolarHBondContact O-CE2 3.47Å; L434-T463 PolarHBondContact O-OG1 2.89Å; L434-L498 HydrophobicContact CD1-CD2 4.16Å; L434-L498 HydrophobicContact CD2-CD2 3.99Å; L434-L498 HydrophobicContact CG-CD2 3.84Å
435L86.9Confident83.1Confident37 Ų3774 Ų7419%0.19439%0.393CS..SBendtrans-85141.4174.1-68.7169.4000110.1L391 A431 F441 A446L391-L435 HydrophobicContact CD1-CD2 3.83Å; L391-L435 HydrophobicContact CD1-CG 3.81Å; A431-L435 WeakPolarHBondContact O-CG 3.48Å; A431-L435 PolarHBondContact O-N 3.32Å; L435-F441 HydrophobicContact CD2-CB 4.21Å; L435-F441 HydrophobicContact CD2-CD1 4.28Å; L435-F441 HydrophobicContact CD2-CG 4.25Å; L435-A446 HydrophobicContact CD2-CB 3.59Å
436P75.9Confident83.3Confident64 Ų6470.8 Ų70.842%0.41638%0.376SS..  trans-73.9149.3165.832.4-33.9000110.3S438 F441P436-S438 PolarHBondContact O-N 3.44Å; P436-F441 HydrophobicContact CG-CD2 3.84Å; P436-F441 HydrophobicContact CG-CE2 3.47Å; P436-F441 VanDerWaalsContact CG-CE2 3.47Å; P436-F441 HydrophobicContact CG-CZ 4.26Å
437D66.4Low83.6Confident180 Ų18064.6 Ų64.696%0.96335%0.353SS*.SBendtrans-66.168.7178.8-67.6-53.5000113
438S66.9Low83.7Confident61 Ų6164.2 Ų64.243%0.42735%0.351SS..  trans-137.2127.7-177.9-172.30000111.9P436 A440 F441P436-S438 PolarHBondContact O-N 3.44Å; S438-A440 PolarHBondContact O-N 3.32Å; S438-A440 WeakPolarHBondContact OG-CB 3.41Å; S438-A440 PolarHBondContact OG-N 3.29Å; S438-F441 PolarHBondContact O-N 3.04Å; S438-F441 VanDerWaalsContact O-N 3.07Å
439E73.6Confident83.9Confident176 Ų17658.6 Ų58.682%0.82233%0.325SS*.G310 helixtrans-50.8-23.9170.6-59.5-177.1162.600112.4F441 Q442E439-F441 PolarHBondContact O-N 3.31Å; E439-F441 VanDerWaalsContact O-N 3.12Å; E439-Q442 PolarHBondContact O-N 2.83Å; E439-Q442 VanDerWaalsContact O-N 3.13Å
440A73.9Confident84Confident38 Ų3851.7 Ų51.731%0.31429%0.293SS..G310 helixtrans-53.5-29.9175.800000113.9S438 K444 P467S438-A440 PolarHBondContact O-N 3.32Å; S438-A440 WeakPolarHBondContact OG-CB 3.41Å; S438-A440 PolarHBondContact OG-N 3.29Å; A440-K444 VanDerWaalsContact O-CD 3.28Å; A440-K444 WeakPolarHBondContact O-CD 3.29Å; A440-K444 VanDerWaalsContact O-CE 3.27Å; A440-K444 WeakPolarHBondContact O-CE 3.41Å; A440-K444 PolarHBondContact O-NZ 2.87Å; A440-P467 WeakPolarHBondContact O-CG 3.49Å
441F77.8Confident84Confident14 Ų1452 Ų526%0.06130%0.295CS..G310 helixtrans-96.3-7.3-178.6-67.2-80.9000114.5L435 P436 S438 E439 G443 K444 A446 L464 E465 P467L435-F441 HydrophobicContact CD2-CB 4.21Å; L435-F441 HydrophobicContact CD2-CD1 4.28Å; L435-F441 HydrophobicContact CD2-CG 4.25Å; P436-F441 HydrophobicContact CG-CD2 3.84Å; P436-F441 HydrophobicContact CG-CE2 3.47Å; P436-F441 VanDerWaalsContact CG-CE2 3.47Å; P436-F441 HydrophobicContact CG-CZ 4.26Å; S438-F441 PolarHBondContact O-N 3.04Å; S438-F441 VanDerWaalsContact O-N 3.07Å; E439-F441 PolarHBondContact O-N 3.31Å; E439-F441 VanDerWaalsContact O-N 3.12Å; F441-G443 PolarHBondContact O-N 3.07Å; F441-G443 VanDerWaalsContact O-N 3.1Å; F441-K444 PolarHBondContact O-N 3.01Å; F441-A446 HydrophobicContact CD1-CB 3.81Å; F441-A446 HydrophobicContact CE1-CB 3.99Å; F441-L464 WeakPolarHBondContact CZ-O 3.46Å; F441-E465 WeakPolarHBondContact CZ-O 3.36Å; F441-P467 HydrophobicContact CD1-CB 4.26Å; F441-P467 HydrophobicContact CD1-CG 4.03Å; F441-P467 HydrophobicContact CE1-CB 4.27Å; F441-P467 HydrophobicContact CE1-CG 3.98Å
442Q77.1Confident84Confident163 Ų16352.3 Ų52.376%0.76230%0.296SS*.THydrogen-bonded Turntrans-60.8117.6-173.9-162.4179.837.400111.3E439 K444E439-Q442 PolarHBondContact O-N 2.83Å; E439-Q442 VanDerWaalsContact O-N 3.13Å; Q442-K444 VanDerWaalsContact C-N 3.26Å; Q442-K444 PolarHBondContact O-N 2.83Å
443G74.8Confident83.9Confident75 Ų7553.3 Ų53.377%0.77329%0.292SS*.THydrogen-bonded Turntrans71.58.8-178.300000115.9F441F441-G443 PolarHBondContact O-N 3.07Å; F441-G443 VanDerWaalsContact O-N 3.1Å
444K85.4Confident83.5Confident113 Ų11353.5 Ų53.549%0.49129%0.291SS..SBendtrans-108164.2178.6-57.2-178.5-158.3156.50111.2A440 F441 Q442 P467A440-K444 VanDerWaalsContact O-CD 3.28Å; A440-K444 WeakPolarHBondContact O-CD 3.29Å; A440-K444 VanDerWaalsContact O-CE 3.27Å; A440-K444 WeakPolarHBondContact O-CE 3.41Å; A440-K444 PolarHBondContact O-NZ 2.87Å; F441-K444 PolarHBondContact O-N 3.01Å; Q442-K444 VanDerWaalsContact C-N 3.26Å; Q442-K444 PolarHBondContact O-N 2.83Å; K444-P467 HydrophobicContact CB-CB 3.98Å; K444-P467 HydrophobicContact CD-CB 3.76Å; K444-P467 HydrophobicContact CD-CG 3.84Å
445S90.5Very high83.1Confident10 Ų1058.9 Ų58.97%0.0732%0.324CS..  trans-81.1150.5171.3-50.10000111L391 T392 P467 W468L391-S445 CarbonylContact O-C 3.5Å; L391-S445 WeakPolarHBondContact O-CA 3.4Å; L391-S445 WeakPolarHBondContact O-CB 3.45Å; T392-S445 PolarHBondContact OG1-OG 3.07Å; S445-P467 CarbonylContact O-C 3.51Å; S445-W468 PolarHBondContact O-N 2.89Å
446A91.8Very high82.8Confident1 Ų160.3 Ų60.31%0.00834%0.342CS..EExtended strand (participates in β ladder)trans-138.7153.2175.100000110.3L391 L435 F441 T463L391-A446 HydrophobicContact CB-CB 4.45Å; L391-A446 PolarHBondContact N-O 2.93Å; L391-A446 PolarHBondContact O-N 3.08Å; L435-A446 HydrophobicContact CD2-CB 3.59Å; F441-A446 HydrophobicContact CD1-CB 3.81Å; F441-A446 HydrophobicContact CE1-CB 3.99Å; A446-T463 HydrophobicContact CB-CG2 4.48Å
447V94.3Very high83Confident0 Ų057.7 Ų57.70%033%0.326CS..EExtended strand (participates in β ladder)trans-117.6126.9174.9174.20000109.8V388 V389 L390 F405 L464 W468 L478V388-V447 HydrophobicContact CG1-CG1 3.53Å; V389-V447 WeakPolarHBondContact O-CA 3.27Å; L390-V447 HydrophobicContact CD1-CG2 3.82Å; F405-V447 HydrophobicContact CD2-CG2 4.02Å; F405-V447 HydrophobicContact CE2-CG1 4.26Å; F405-V447 HydrophobicContact CE2-CG2 4.03Å; V447-L464 HydrophobicContact CB-CD1 3.98Å; V447-L464 HydrophobicContact CB-CG 4.31Å; V447-L464 PolarHBondContact O-N 3.31Å; V447-W468 HydrophobicContact CG2-CB 3.93Å; V447-W468 HydrophobicContact CG2-CD2 3.65Å; V447-W468 HydrophobicContact CG2-CE3 3.83Å; V447-W468 HydrophobicContact CG2-CG 3.68Å; V447-L478 HydrophobicContact CG1-CD1 3.93Å; V447-L478 HydrophobicContact CG1-CD2 4.15Å
448S93.6Very high84.1Confident0 Ų055.4 Ų55.40%030%0.304CS..EExtended strand (participates in β ladder)trans-119.4133.7177.9-51.70000110.2V389 T463V389-S448 PolarHBondContact N-O 3.04Å; V389-S448 PolarHBondContact O-N 3.48Å; S448-T463 PolarHBondContact OG-OG1 2.86Å
449I93.6Very high85.3Confident6 Ų652.5 Ų52.53%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-104.9127.8173.5-47.7174.6000108.1C387 V388 Y461 K462 L478 L482 L485 L492C387-I449 CarbonylContact O-C 3.49Å; C387-I449 WeakPolarHBondContact O-CA 3.39Å; V388-I449 HydrophobicContact CG2-CG1 4.36Å; V388-I449 HydrophobicContact CG2-CG2 4.34Å; I449-Y461 CarbonylContact O-C 3.5Å; I449-Y461 WeakPolarHBondContact O-CA 3.39Å; I449-Y461 WeakPolarHBondContact O-CB 3.45Å; I449-K462 PolarHBondContact N-O 2.67Å; I449-K462 PolarHBondContact O-N 3.48Å; I449-L478 HydrophobicContact CD1-CD1 3.96Å; I449-L478 HydrophobicContact CG1-CD1 4.32Å; I449-L482 HydrophobicContact CD1-CD2 4.02Å; I449-L482 HydrophobicContact CD1-CG 4.38Å; I449-L482 HydrophobicContact CG2-CD2 4.49Å; I449-L485 HydrophobicContact CB-CD1 4.37Å; I449-L485 HydrophobicContact CD1-CD1 3.71Å; I449-L485 HydrophobicContact CG2-CD1 3.85Å; I449-L492 HydrophobicContact CB-CD2 4.49Å
450L92.4Very high86.1Confident1 Ų144.4 Ų44.41%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-133.1147.8-177.967.482.9000115.5Y386 C387 V389 L434 R452 V459 V460 L498Y386-L450 WeakPolarHBondContact CA-O 3.28Å; C387-L450 HydrophobicContact CB-CD1 3.95Å; C387-L450 HydrophobicContact CB-CG 4.23Å; C387-L450 PolarHBondContact N-O 3.15Å; C387-L450 PolarHBondContact O-N 2.94Å; V389-L450 HydrophobicContact CG2-CD2 3.68Å; V389-L450 HydrophobicContact CG2-CG 4.14Å; L434-L450 HydrophobicContact CD1-CD2 4.18Å; L434-L450 HydrophobicContact CD2-CD2 4.34Å; L450-R452 HydrophobicContact CD1-CG 4Å; L450-V459 HydrophobicContact CD1-CG1 4.4Å; L450-V460 CarbonylContact C-O 3.5Å; L450-V460 WeakPolarHBondContact CA-O 3.42Å; L450-V460 WeakPolarHBondContact CB-O 3.48Å; L450-L498 HydrophobicContact CD2-CD1 4.3Å
451E91Very high87Confident11 Ų1144.2 Ų44.25%0.05124%0.238CC..EExtended strand (participates in β ladder)trans-117.5120.5168.5-175-179.9168.500108.7K378 R384 Y386 R453 V459 V460 L492K378-E451 WeakPolarHBondContact CD-OE1 3.39Å; K378-E451 WeakPolarHBondContact CE-OE1 3.25Å; K378-E451 WeakPolarHBondContact CG-OE1 3.11Å; R384-E451 IonicContact CZ-OE2 2.84Å; R384-E451 IonicContact NE-OE1 2.8Å; R384-E451 PolarHBondContact NE-OE1 3.08Å; R384-E451 IonicContact NE-OE2 2.79Å; R384-E451 PolarHBondContact NE-OE2 3.47Å; R384-E451 VanDerWaalsContact NE-OE2 3.13Å; R384-E451 IonicContact NH2-OE2 2.77Å; Y386-E451 HydrophobicContact CD1-CB 4.09Å; Y386-E451 HydrophobicContact CE1-CB 4.25Å; E451-R453 PolarHBondContact O-N 2.74Å; E451-V459 WeakPolarHBondContact O-CA 3.42Å; E451-V460 PolarHBondContact N-O 2.84Å; E451-V460 PolarHBondContact O-N 2.91Å; E451-L492 HydrophobicContact CB-CD1 3.82Å
452R90Very high87.7Confident5 Ų545.7 Ų45.72%0.01924%0.244CC..EExtended strand (participates in β ladder)trans-80118.6177-63.5-175.376.9-165.35.5111.1F371 H372 C375 K378 L450 V459F371-R452 HydrophobicContact CZ-CG 4.35Å; H372-R452 PolarHBondContact CD2-NH1 3.35Å; H372-R452 PolarHBondContact CD2-NH2 3Å; H372-R452 PolarHBondContact NE2-NH1 3.42Å; H372-R452 PolarHBondContact NE2-NH2 2.9Å; C375-R452 WeakPolarHBondContact O-CD 3.48Å; C375-R452 PolarHBondContact O-NH1 3.34Å; K378-R452 WeakPolarHBondContact CB-O 3.42Å; K378-R452 PolarHBondContact N-O 3.4Å; L450-R452 HydrophobicContact CD1-CG 4Å; R452-V459 HydrophobicContact CB-CG1 4.48Å; R452-V459 HydrophobicContact CG-CG1 3.88Å
453R86.3Confident88.4Confident121 Ų12138.8 Ų38.846%0.45721%0.213SC..  trans-83.8-37.1-177.9-75.9-170.6176.1167.912.9113.8E451 R458 V460 E495E451-R453 PolarHBondContact O-N 2.74Å; R453-R458 PolarHBondContact N-O 2.91Å; R453-V460 HydrophobicContact CG-CG2 3.72Å; R453-E495 IonicContact CZ-OE1 3.51Å; R453-E495 IonicContact CZ-OE2 2.62Å; R453-E495 IonicContact NE-OE1 2.64Å; R453-E495 IonicContact NH1-OE1 3.85Å; R453-E495 PolarHBondContact NH1-OE1 2.72Å; R453-E495 IonicContact NH1-OE2 3.67Å; R453-E495 PolarHBondContact NH1-OE2 2.99Å; R453-E495 IonicContact NH2-OE2 3.87Å
454N83.4Confident89.1Confident48 Ų4835.9 Ų35.926%0.25718%0.18SC..  trans-141.9176.3-179.174.24.6000112.2V377 A456 R458V377-N454 VanDerWaalsContact CG2-O 3.31Å; V377-N454 WeakPolarHBondContact CG2-O 3.5Å; N454-A456 PolarHBondContact OD1-N 3.25Å; N454-A456 VanDerWaalsContact OD1-N 3.17Å; N454-A456 PolarHBondContact OD1-O 2.7Å; N454-R458 VanDerWaalsContact OD1-CB 3.31Å; N454-R458 WeakPolarHBondContact OD1-CB 3.13Å; N454-R458 PolarHBondContact OD1-N 3.13Å
455T79.7Confident89.2Confident112 Ų11237 Ų3769%0.68719%0.187SC*.SBendtrans-73.3-30.717443.90000112.8V377 G457V377-T455 HydrophobicContact CG2-CG2 4.19Å; T455-G457 PolarHBondContact O-N 2.9Å
456A79.6Confident89.1Confident68 Ų6842.1 Ų42.156%0.56221%0.213SC*.SBendtrans-82.254178.700000112.8N454 R458N454-A456 PolarHBondContact OD1-N 3.25Å; N454-A456 VanDerWaalsContact OD1-N 3.17Å; N454-A456 PolarHBondContact OD1-O 2.7Å; A456-R458 PolarHBondContact O-N 2.98Å
457G81.8Confident88.9Confident9 Ų943.2 Ų43.29%0.09322%0.221CC..SBendtrans69.5-10168.200000118.2T455 V459 L498T455-G457 PolarHBondContact O-N 2.9Å; G457-V459 PolarHBondContact O-N 2.93Å; G457-L498 PolarHBondContact O-N 2.72Å
458R88.9Confident88.7Confident131 Ų13143.5 Ų43.549%0.49422%0.222SC..EExtended strand (participates in β ladder)trans-72126.9-173.1-60.9-166.9-177.1-171.11.5112.8R453 N454 A456 A496 V497R453-R458 PolarHBondContact N-O 2.91Å; N454-R458 VanDerWaalsContact OD1-CB 3.31Å; N454-R458 WeakPolarHBondContact OD1-CB 3.13Å; N454-R458 PolarHBondContact OD1-N 3.13Å; A456-R458 PolarHBondContact O-N 2.98Å; R458-A496 WeakPolarHBondContact CA-O 3.38Å; R458-V497 HydrophobicContact CG-CG2 4.27Å
459V91.3Very high88.5Confident0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-127.3148.6177.2-56.90000111.4L450 E451 R452 G457 Y461 E495 A496 L498L450-V459 HydrophobicContact CD1-CG1 4.4Å; E451-V459 WeakPolarHBondContact O-CA 3.42Å; R452-V459 HydrophobicContact CB-CG1 4.48Å; R452-V459 HydrophobicContact CG-CG1 3.88Å; G457-V459 PolarHBondContact O-N 2.93Å; V459-Y461 HydrophobicContact CG2-CD1 4.27Å; V459-E495 WeakPolarHBondContact O-CA 3.49Å; V459-A496 HydrophobicContact CG2-CB 4.43Å; V459-A496 PolarHBondContact N-O 3.42Å; V459-A496 PolarHBondContact O-N 3.4Å; V459-L498 HydrophobicContact CB-CD1 4.35Å; V459-L498 HydrophobicContact CG1-CD1 3.46Å; V459-L498 VanDerWaalsContact CG1-CD1 3.46Å; V459-L498 HydrophobicContact CG1-CG 3.98Å; V459-L498 HydrophobicContact CG2-CD1 3.97Å; V459-L498 HydrophobicContact CG2-CD2 4.38Å; V459-L498 HydrophobicContact CG2-CG 3.84Å
460V92Very high88.2Confident6 Ų647.9 Ų47.94%0.03625%0.251CS..EExtended strand (participates in β ladder)trans-98.3138.7156.7-139.20000107.4L450 E451 R453 L492 S494L450-V460 CarbonylContact C-O 3.5Å; L450-V460 WeakPolarHBondContact CA-O 3.42Å; L450-V460 WeakPolarHBondContact CB-O 3.48Å; E451-V460 PolarHBondContact N-O 2.84Å; E451-V460 PolarHBondContact O-N 2.91Å; R453-V460 HydrophobicContact CG-CG2 3.72Å; V460-L492 HydrophobicContact CB-CB 3.9Å; V460-L492 HydrophobicContact CB-CD1 4.23Å; V460-L492 HydrophobicContact CG1-CB 3.68Å; V460-L492 WeakPolarHBondContact CG1-O 3.37Å; V460-S494 CarbonylContact C-O 3.5Å; V460-S494 VanDerWaalsContact CA-O 3.27Å; V460-S494 WeakPolarHBondContact CA-O 3.18Å; V460-S494 VanDerWaalsContact CG1-O 3.29Å; V460-S494 WeakPolarHBondContact CG1-O 3.41Å
461Y92.7Very high88.1Confident34 Ų3449.5 Ų49.513%0.13326%0.262CS..EExtended strand (participates in β ladder)trans-145.9162.8-179.972.1-67.1000112.6T433 L434 I449 V459 S494 A496T433-Y461 PolarHBondContact O-OH 3.49Å; L434-Y461 HydrophobicContact CD2-CD1 4.28Å; L434-Y461 HydrophobicContact CD2-CD2 3.51Å; L434-Y461 HydrophobicContact CD2-CE2 3.88Å; L434-Y461 HydrophobicContact CD2-CG 3.73Å; L434-Y461 WeakPolarHBondContact O-CE2 3.47Å; I449-Y461 CarbonylContact O-C 3.5Å; I449-Y461 WeakPolarHBondContact O-CA 3.39Å; I449-Y461 WeakPolarHBondContact O-CB 3.45Å; V459-Y461 HydrophobicContact CG2-CD1 4.27Å; Y461-S494 WeakPolarHBondContact CD1-O 3.26Å; Y461-S494 VanDerWaalsContact CE1-CB 3.44Å; Y461-S494 PolarHBondContact N-O 2.83Å; Y461-S494 WeakPolarHBondContact O-CB 3.49Å; Y461-S494 PolarHBondContact O-N 3.29Å; Y461-A496 HydrophobicContact CD1-CB 4.28Å; Y461-A496 HydrophobicContact CE1-CB 3.6Å
462K91.8Very high88.1Confident45 Ų4555.3 Ų55.320%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-139.2131159.3-177.6171.6-178.7-179.80108.9I449 E465 Y481 L492I449-K462 PolarHBondContact N-O 2.67Å; I449-K462 PolarHBondContact O-N 3.48Å; K462-E465 IonicContact NZ-OE1 3.57Å; K462-E465 PolarHBondContact NZ-OE1 3.07Å; K462-Y481 HydrophobicContact CD-CE1 4.4Å; K462-Y481 PolarHBondContact NZ-OH 3.47Å; K462-L492 HydrophobicContact CB-CD2 4.1Å
463T91.3Very high88.2Confident18 Ų1858.6 Ų58.611%0.1131%0.313CS..EExtended strand (participates in β ladder)trans-95.6146.8174-49.60000109L434 A446 S448L434-T463 PolarHBondContact O-OG1 2.89Å; A446-T463 HydrophobicContact CB-CG2 4.48Å; S448-T463 PolarHBondContact OG-OG1 2.86Å
464L90.7Very high88.4Confident15 Ų1553.9 Ų53.98%0.07930%0.297CS..  trans-64142.8172.2-65.4-176.2000110.3F441 V447 W468 I477 Y481F441-L464 WeakPolarHBondContact CZ-O 3.46Å; V447-L464 HydrophobicContact CB-CD1 3.98Å; V447-L464 HydrophobicContact CB-CG 4.31Å; V447-L464 PolarHBondContact O-N 3.31Å; L464-W468 HydrophobicContact CD1-CE3 4Å; L464-W468 HydrophobicContact CD1-CZ3 4.44Å; L464-I477 HydrophobicContact CD2-CG2 4.21Å; L464-Y481 HydrophobicContact CD2-CD2 3.78Å; L464-Y481 HydrophobicContact CD2-CE2 4.03Å
465E86Confident88.8Confident136 Ų13653.2 Ų53.264%0.63629%0.292SS*.SBendtrans-71.9-32.5-176.4-70.8153.7-135.600111.8F441 K462 Y481F441-E465 WeakPolarHBondContact CZ-O 3.36Å; K462-E465 IonicContact NZ-OE1 3.57Å; K462-E465 PolarHBondContact NZ-OE1 3.07Å; E465-Y481 PolarHBondContact OE1-OH 3.42Å
466D88Confident89.5Confident117 Ų11755.5 Ų55.563%0.62629%0.292SS*.SBendtrans-98.1146.2173-73.2-61000112.5
467P89.1Confident90.1Very high25 Ų2555.8 Ų55.816%0.16228%0.284CS..  trans-59.3135.6170.2-23.333.8000112.6A440 F441 K444 S445 T469A440-P467 WeakPolarHBondContact O-CG 3.49Å; F441-P467 HydrophobicContact CD1-CB 4.26Å; F441-P467 HydrophobicContact CD1-CG 4.03Å; F441-P467 HydrophobicContact CE1-CB 4.27Å; F441-P467 HydrophobicContact CE1-CG 3.98Å; K444-P467 HydrophobicContact CB-CB 3.98Å; K444-P467 HydrophobicContact CD-CB 3.76Å; K444-P467 HydrophobicContact CD-CG 3.84Å; S445-P467 CarbonylContact O-C 3.51Å; P467-T469 PolarHBondContact O-N 3.37Å; P467-T469 VanDerWaalsContact O-N 3.14Å
468W90.3Very high90.6Very high6 Ų655.4 Ų55.42%0.02328%0.279CS..  trans-72.6107.5-177.7177.6-98.4000110.8L390 P401 A404 F405 S445 V447 L464 D474 K475 L478L390-W468 HydrophobicContact CD1-CG 4.27Å; P401-W468 PolarHBondContact O-NE1 2.88Å; A404-W468 HydrophobicContact CB-CZ2 4.47Å; F405-W468 HydrophobicContact CB-CZ2 4.16Å; F405-W468 HydrophobicContact CD2-CZ2 4.35Å; S445-W468 PolarHBondContact O-N 2.89Å; V447-W468 HydrophobicContact CG2-CB 3.93Å; V447-W468 HydrophobicContact CG2-CD2 3.65Å; V447-W468 HydrophobicContact CG2-CE3 3.83Å; V447-W468 HydrophobicContact CG2-CG 3.68Å; L464-W468 HydrophobicContact CD1-CE3 4Å; L464-W468 HydrophobicContact CD1-CZ3 4.44Å; W468-D474 HydrophobicContact CD2-CB 4.36Å; W468-D474 HydrophobicContact CE3-CB 3.6Å; W468-D474 HydrophobicContact CH2-CB 4.21Å; W468-D474 HydrophobicContact CZ3-CB 3.52Å; W468-K475 HydrophobicContact CH2-CG 3.89Å; W468-K475 HydrophobicContact CZ2-CG 4.48Å; W468-L478 HydrophobicContact CH2-CD2 3.92Å; W468-L478 HydrophobicContact CZ3-CB 4.16Å; W468-L478 HydrophobicContact CZ3-CD2 3.75Å
469T88.7Confident90.8Very high87 Ų8751.8 Ų51.853%0.53427%0.27SS..  trans-91-24.3174.268.90000112.1P467 S471 D474P467-T469 PolarHBondContact O-N 3.37Å; P467-T469 VanDerWaalsContact O-N 3.14Å; T469-S471 PolarHBondContact OG1-N 3.45Å; T469-D474 WeakPolarHBondContact CA-OD2 3.5Å; T469-D474 PolarHBondContact N-OD2 3.49Å; T469-D474 PolarHBondContact OG1-OD2 3.5Å
470G87.3Confident90.8Very high10 Ų1053.1 Ų53.110%0.10328%0.284CS..  trans91.815.4-171.400000114.2A404 D474 K475A404-G470 WeakPolarHBondContact CB-O 3.29Å; G470-D474 PolarHBondContact N-OD2 2.98Å; G470-K475 WeakPolarHBondContact O-CE 3.16Å
471S91.4Very high90.7Very high35 Ų3555.1 Ų55.125%0.24529%0.291CS..  trans-68161.3179.391.80000112.2T469 S473 D474 K475T469-S471 PolarHBondContact OG1-N 3.45Å; S471-S473 PolarHBondContact O-N 3.49Å; S471-S473 PolarHBondContact OG-N 3.48Å; S471-S473 PolarHBondContact OG-OG 3.4Å; S471-D474 WeakPolarHBondContact CB-OD1 3.47Å; S471-D474 PolarHBondContact N-OD2 2.79Å; S471-D474 WeakPolarHBondContact O-CB 3.45Å; S471-D474 PolarHBondContact O-N 3.29Å; S471-D474 VanDerWaalsContact O-N 3.12Å; S471-D474 VanDerWaalsContact OG-CG 3.25Å; S471-D474 PolarHBondContact OG-N 3.43Å; S471-D474 VanDerWaalsContact OG-N 3.17Å; S471-D474 PolarHBondContact OG-OD1 3.31Å; S471-K475 WeakPolarHBondContact O-CG 3.41Å; S471-K475 PolarHBondContact O-N 2.99Å
472E90.6Very high90.6Very high134 Ų13453.7 Ų53.763%0.62629%0.285SS*.Hα-helixtrans-64.6-27.8175.5-59.1-52.4131.400112.4K475 F476E472-K475 IonicContact OE1-NZ 3.69Å; E472-K475 PolarHBondContact OE1-NZ 3.48Å; E472-K475 WeakPolarHBondContact OE2-CD 3.16Å; E472-K475 IonicContact OE2-NZ 3.62Å; E472-F476 WeakPolarHBondContact O-CB 3.14Å; E472-F476 PolarHBondContact O-N 2.89Å
473S91.4Very high90.5Very high74 Ų7454.7 Ų54.752%0.51729%0.293SS..Hα-helixtrans-64.7-46.3168.913.10000111.8S471 K475 F476 I477S471-S473 PolarHBondContact O-N 3.49Å; S471-S473 PolarHBondContact OG-N 3.48Å; S471-S473 PolarHBondContact OG-OG 3.4Å; S473-K475 VanDerWaalsContact C-N 3.29Å; S473-K475 PolarHBondContact O-N 3.33Å; S473-F476 PolarHBondContact O-N 3.31Å; S473-F476 VanDerWaalsContact O-N 3.17Å; S473-I477 WeakPolarHBondContact O-CB 3.25Å; S473-I477 WeakPolarHBondContact O-CD1 3.27Å; S473-I477 VanDerWaalsContact O-CG1 3.27Å; S473-I477 WeakPolarHBondContact O-CG1 3.38Å; S473-I477 PolarHBondContact O-N 3.21Å
474D90.8Very high90.4Very high22 Ų2258.5 Ų58.512%0.11831%0.309CS..Hα-helixtrans-58.7-44.8178.7-46.84.6000110W468 T469 G470 S471 I477 L478W468-D474 HydrophobicContact CD2-CB 4.36Å; W468-D474 HydrophobicContact CE3-CB 3.6Å; W468-D474 HydrophobicContact CH2-CB 4.21Å; W468-D474 HydrophobicContact CZ3-CB 3.52Å; T469-D474 WeakPolarHBondContact CA-OD2 3.5Å; T469-D474 PolarHBondContact N-OD2 3.49Å; T469-D474 PolarHBondContact OG1-OD2 3.5Å; G470-D474 PolarHBondContact N-OD2 2.98Å; S471-D474 WeakPolarHBondContact CB-OD1 3.47Å; S471-D474 PolarHBondContact N-OD2 2.79Å; S471-D474 WeakPolarHBondContact O-CB 3.45Å; S471-D474 PolarHBondContact O-N 3.29Å; S471-D474 VanDerWaalsContact O-N 3.12Å; S471-D474 VanDerWaalsContact OG-CG 3.25Å; S471-D474 PolarHBondContact OG-N 3.43Å; S471-D474 VanDerWaalsContact OG-N 3.17Å; S471-D474 PolarHBondContact OG-OD1 3.31Å; D474-I477 PolarHBondContact O-N 2.84Å; D474-L478 WeakPolarHBondContact O-CB 3.28Å; D474-L478 PolarHBondContact O-N 3.21Å
475K92.5Very high90.2Very high34 Ų3458 Ų5815%0.14831%0.307CS..Hα-helixtrans-61.9-44.8176.2-67.4172.8-170.2175.10112F408 W468 G470 S471 E472 S473 L478 L479F408-K475 HydrophobicContact CD2-CB 3.9Å; F408-K475 HydrophobicContact CD2-CG 4.03Å; F408-K475 HydrophobicContact CE2-CB 4.33Å; F408-K475 VanDerWaalsContact CE2-O 3.27Å; F408-K475 WeakPolarHBondContact CE2-O 3.2Å; W468-K475 HydrophobicContact CH2-CG 3.89Å; W468-K475 HydrophobicContact CZ2-CG 4.48Å; G470-K475 WeakPolarHBondContact O-CE 3.16Å; S471-K475 WeakPolarHBondContact O-CG 3.41Å; S471-K475 PolarHBondContact O-N 2.99Å; E472-K475 IonicContact OE1-NZ 3.69Å; E472-K475 PolarHBondContact OE1-NZ 3.48Å; E472-K475 WeakPolarHBondContact OE2-CD 3.16Å; E472-K475 IonicContact OE2-NZ 3.62Å; S473-K475 VanDerWaalsContact C-N 3.29Å; S473-K475 PolarHBondContact O-N 3.33Å; K475-L478 PolarHBondContact O-N 2.77Å; K475-L479 WeakPolarHBondContact O-CB 3.42Å; K475-L479 PolarHBondContact O-N 2.68Å
476F92.5Very high90.1Very high159 Ų15956.7 Ų56.770%0.69730%0.296SS*.Hα-helixtrans-65.4-41.2179-173.1-94.2000112E472 S473 L479 G480E472-F476 WeakPolarHBondContact O-CB 3.14Å; E472-F476 PolarHBondContact O-N 2.89Å; S473-F476 PolarHBondContact O-N 3.31Å; S473-F476 VanDerWaalsContact O-N 3.17Å; F476-L479 PolarHBondContact O-N 3.02Å; F476-G480 PolarHBondContact O-N 3.39Å
477I92.6Very high90Very high75 Ų7559.8 Ų59.839%0.38530%0.304SS..Hα-helixtrans-61.3-48.4174.7-69.2163.5000110.4L464 S473 D474 L479 G480 Y481L464-I477 HydrophobicContact CD2-CG2 4.21Å; S473-I477 WeakPolarHBondContact O-CB 3.25Å; S473-I477 WeakPolarHBondContact O-CD1 3.27Å; S473-I477 VanDerWaalsContact O-CG1 3.27Å; S473-I477 WeakPolarHBondContact O-CG1 3.38Å; S473-I477 PolarHBondContact O-N 3.21Å; D474-I477 PolarHBondContact O-N 2.84Å; I477-L479 PolarHBondContact O-N 3Å; I477-G480 PolarHBondContact O-N 3.07Å; I477-Y481 HydrophobicContact CG2-CD2 3.74Å; I477-Y481 HydrophobicContact CG2-CE2 3.71Å; I477-Y481 WeakPolarHBondContact O-CD2 3.4Å; I477-Y481 PolarHBondContact O-N 3.48Å
478L92.4Very high89.8Confident0 Ų062.7 Ų62.70%032%0.318CS..Hα-helixtrans-63.1-39.6178.5-177.159.6000112.4V388 F408 V447 I449 W468 D474 K475 Y481 L482V388-L478 HydrophobicContact CG1-CD1 4.43Å; F408-L478 HydrophobicContact CD1-CD2 3.76Å; F408-L478 HydrophobicContact CD1-CG 4.47Å; F408-L478 HydrophobicContact CE1-CD2 3.52Å; F408-L478 HydrophobicContact CE1-CG 3.75Å; F408-L478 HydrophobicContact CE2-CB 4.36Å; F408-L478 HydrophobicContact CE2-CD2 4.43Å; F408-L478 HydrophobicContact CE2-CG 4.41Å; F408-L478 HydrophobicContact CG-CD2 4.33Å; F408-L478 HydrophobicContact CZ-CB 4.07Å; F408-L478 HydrophobicContact CZ-CD2 3.88Å; F408-L478 HydrophobicContact CZ-CG 3.71Å; V447-L478 HydrophobicContact CG1-CD1 3.93Å; V447-L478 HydrophobicContact CG1-CD2 4.15Å; I449-L478 HydrophobicContact CD1-CD1 3.96Å; I449-L478 HydrophobicContact CG1-CD1 4.32Å; W468-L478 HydrophobicContact CH2-CD2 3.92Å; W468-L478 HydrophobicContact CZ3-CB 4.16Å; W468-L478 HydrophobicContact CZ3-CD2 3.75Å; D474-L478 WeakPolarHBondContact O-CB 3.28Å; D474-L478 PolarHBondContact O-N 3.21Å; K475-L478 PolarHBondContact O-N 2.77Å; L478-Y481 PolarHBondContact O-N 3.33Å; L478-L482 HydrophobicContact CG-CD1 4.47Å; L478-L482 WeakPolarHBondContact O-CG 3.23Å; L478-L482 PolarHBondContact O-N 2.85Å
479L92.8Very high89.3Confident56 Ų5664.4 Ų64.429%0.29333%0.33SS..Hα-helixtrans-63.5-47.3174.4-176.458.7000111.6F408 N412 K475 F476 I477 Y481 L482 D483F408-L479 HydrophobicContact CE2-CB 4.01Å; F408-L479 HydrophobicContact CZ-CB 4.18Å; N412-L479 VanDerWaalsContact OD1-CD1 3.31Å; N412-L479 WeakPolarHBondContact OD1-CD1 3.22Å; K475-L479 WeakPolarHBondContact O-CB 3.42Å; K475-L479 PolarHBondContact O-N 2.68Å; F476-L479 PolarHBondContact O-N 3.02Å; I477-L479 PolarHBondContact O-N 3Å; L479-Y481 VanDerWaalsContact C-N 3.31Å; L479-Y481 PolarHBondContact O-N 3Å; L479-L482 PolarHBondContact O-N 3.06Å; L479-D483 PolarHBondContact O-N 2.94Å
480G91.1Very high88.9Confident28 Ų2863.7 Ų63.729%0.28933%0.333SS..Hα-helixtrans-57.9-42.7176.500000112.4F476 I477 D483 Q484F476-G480 PolarHBondContact O-N 3.39Å; I477-G480 PolarHBondContact O-N 3.07Å; G480-D483 PolarHBondContact O-N 3.07Å; G480-Q484 WeakPolarHBondContact O-CB 3.27Å; G480-Q484 VanDerWaalsContact O-CG 3.25Å; G480-Q484 WeakPolarHBondContact O-CG 3.4Å; G480-Q484 PolarHBondContact O-N 3.01Å
481Y90.1Very high88.7Confident48 Ų4865.7 Ų65.719%0.18834%0.341CS..Hα-helixtrans-64.2-41.9174.8-86.5-57.3000113.1K462 L464 E465 I477 L478 L479 Q484 L485 L491K462-Y481 HydrophobicContact CD-CE1 4.4Å; K462-Y481 PolarHBondContact NZ-OH 3.47Å; L464-Y481 HydrophobicContact CD2-CD2 3.78Å; L464-Y481 HydrophobicContact CD2-CE2 4.03Å; E465-Y481 PolarHBondContact OE1-OH 3.42Å; I477-Y481 HydrophobicContact CG2-CD2 3.74Å; I477-Y481 HydrophobicContact CG2-CE2 3.71Å; I477-Y481 WeakPolarHBondContact O-CD2 3.4Å; I477-Y481 PolarHBondContact O-N 3.48Å; L478-Y481 PolarHBondContact O-N 3.33Å; L479-Y481 VanDerWaalsContact C-N 3.31Å; L479-Y481 PolarHBondContact O-N 3Å; Y481-Q484 PolarHBondContact O-N 3.38Å; Y481-L485 WeakPolarHBondContact O-CB 3.44Å; Y481-L485 WeakPolarHBondContact O-CG 3.14Å; Y481-L485 PolarHBondContact O-N 2.83Å; Y481-L491 HydrophobicContact CD1-CD2 3.99Å; Y481-L491 HydrophobicContact CE1-CD2 4.41Å
482L90.6Very high88.3Confident4 Ų464.5 Ų64.52%0.02133%0.332CS..Hα-helixtrans-65.3-39.5176.1-72.2171.4000112.3V388 F408 V417 I449 L478 L479 Q484 L485 R486V388-L482 HydrophobicContact CG2-CD2 4Å; F408-L482 HydrophobicContact CE1-CD1 3.85Å; F408-L482 HydrophobicContact CZ-CD1 4.01Å; V417-L482 HydrophobicContact CG1-CD2 4.28Å; V417-L482 HydrophobicContact CG2-CD2 4.38Å; I449-L482 HydrophobicContact CD1-CD2 4.02Å; I449-L482 HydrophobicContact CD1-CG 4.38Å; I449-L482 HydrophobicContact CG2-CD2 4.49Å; L478-L482 HydrophobicContact CG-CD1 4.47Å; L478-L482 WeakPolarHBondContact O-CG 3.23Å; L478-L482 PolarHBondContact O-N 2.85Å; L479-L482 PolarHBondContact O-N 3.06Å; L482-Q484 VanDerWaalsContact C-N 3.34Å; L482-L485 PolarHBondContact O-N 3.02Å; L482-R486 WeakPolarHBondContact O-CG 3.37Å; L482-R486 PolarHBondContact O-N 3.23Å; L482-R486 VanDerWaalsContact O-N 3.17Å
483D89.7Confident87.8Confident66 Ų6662.6 Ų62.635%0.35333%0.333SS..Hα-helixtrans-68.4-31.1175.6-86.110.4000112.9L479 G480 R486L479-D483 PolarHBondContact O-N 2.94Å; G480-D483 PolarHBondContact O-N 3.07Å; D483-R486 IonicContact OD1-CZ 3.17Å; D483-R486 VanDerWaalsContact OD1-CZ 3.29Å; D483-R486 IonicContact OD1-NH1 2.67Å; D483-R486 PolarHBondContact OD1-NH1 3.19Å; D483-R486 IonicContact OD1-NH2 2.8Å
484Q90.2Very high87.6Confident98 Ų9861.3 Ų61.346%0.45832%0.324SS..Hα-helixtrans-70.9-44.3170.6-71.2171.512.100111.4G480 Y481 L482 R486 K487 D488 L491G480-Q484 WeakPolarHBondContact O-CB 3.27Å; G480-Q484 VanDerWaalsContact O-CG 3.25Å; G480-Q484 WeakPolarHBondContact O-CG 3.4Å; G480-Q484 PolarHBondContact O-N 3.01Å; Y481-Q484 PolarHBondContact O-N 3.38Å; L482-Q484 VanDerWaalsContact C-N 3.34Å; Q484-R486 PolarHBondContact O-N 2.97Å; Q484-K487 WeakPolarHBondContact O-CA 3.27Å; Q484-K487 WeakPolarHBondContact O-CB 3.45Å; Q484-K487 PolarHBondContact O-N 3.4Å; Q484-D488 PolarHBondContact O-N 3.04Å; Q484-L491 HydrophobicContact CB-CD2 3.58Å
485L87.3Confident87.6Confident5 Ų565 Ų653%0.02634%0.341CS..Hα-helixtrans-63.8-19.5177.8-77.5167.5000114.7Y386 I449 Y481 L482 L491 L492Y386-L485 HydrophobicContact CE2-CB 4.21Å; Y386-L485 PolarHBondContact OH-O 3.4Å; I449-L485 HydrophobicContact CB-CD1 4.37Å; I449-L485 HydrophobicContact CD1-CD1 3.71Å; I449-L485 HydrophobicContact CG2-CD1 3.85Å; Y481-L485 WeakPolarHBondContact O-CB 3.44Å; Y481-L485 WeakPolarHBondContact O-CG 3.14Å; Y481-L485 PolarHBondContact O-N 2.83Å; L482-L485 PolarHBondContact O-N 3.02Å; L485-L491 HydrophobicContact CD2-CB 3.92Å; L485-L491 HydrophobicContact CG-CD2 4.34Å; L485-L492 HydrophobicContact CD1-CD2 4.19Å; L485-L492 HydrophobicContact CD2-CD1 4.48Å; L485-L492 HydrophobicContact CD2-CD2 3.75Å; L485-L492 HydrophobicContact CD2-CG 3.69Å
486R82.7Confident87.5Confident108 Ų10864.2 Ų64.241%0.40834%0.341SS..THydrogen-bonded Turntrans-74.7-25.5168.6-70.2-180-163136.417.8112.9Q414 L482 D483 Q484Q414-R486 VanDerWaalsContact OE1-CZ 3.23Å; Q414-R486 VanDerWaalsContact OE1-NE 3.17Å; Q414-R486 VanDerWaalsContact OE1-NH2 3.09Å; L482-R486 WeakPolarHBondContact O-CG 3.37Å; L482-R486 PolarHBondContact O-N 3.23Å; L482-R486 VanDerWaalsContact O-N 3.17Å; D483-R486 IonicContact OD1-CZ 3.17Å; D483-R486 VanDerWaalsContact OD1-CZ 3.29Å; D483-R486 IonicContact OD1-NH1 2.67Å; D483-R486 PolarHBondContact OD1-NH1 3.19Å; D483-R486 IonicContact OD1-NH2 2.8Å; Q484-R486 PolarHBondContact O-N 2.97Å
487K85.8Confident87.4Confident181 Ų18161.1 Ų61.179%0.78733%0.334SS*.THydrogen-bonded Turntrans-94.7-48.2-179-64.9171.4-176.9170.20111.6Q484Q484-K487 WeakPolarHBondContact O-CA 3.27Å; Q484-K487 WeakPolarHBondContact O-CB 3.45Å; Q484-K487 PolarHBondContact O-N 3.4Å
488D85.3Confident87.3Confident86 Ų8658 Ų5846%0.4632%0.318SS..  trans-127.2112.5178.1-172.84.4000111.5Q484 A490Q484-D488 PolarHBondContact O-N 3.04Å; D488-A490 VanDerWaalsContact C-N 3.28Å; D488-A490 PolarHBondContact O-N 2.91Å; D488-A490 VanDerWaalsContact OD1-CB 3.24Å; D488-A490 WeakPolarHBondContact OD1-CB 3.32Å; D488-A490 PolarHBondContact OD1-N 2.77Å
489P79.8Confident87.2Confident42 Ų4259.6 Ų59.627%0.27333%0.329SS..G310 helixtrans-76.8-9.6175.435.3-39.3000113.8R384 L491R384-P489 VanDerWaalsContact NH2-CB 3.27Å; P489-L491 PolarHBondContact O-N 2.86Å
490A79.6Confident87.1Confident73 Ų7362.8 Ų62.860%0.60335%0.346SS*.G310 helixtrans-74.5-8178.500000113.2D488 L492D488-A490 VanDerWaalsContact C-N 3.28Å; D488-A490 PolarHBondContact O-N 2.91Å; D488-A490 VanDerWaalsContact OD1-CB 3.24Å; D488-A490 WeakPolarHBondContact OD1-CB 3.32Å; D488-A490 PolarHBondContact OD1-N 2.77Å; A490-L492 PolarHBondContact O-N 2.8Å
491L84.6Confident86.9Confident52 Ų5262 Ų6227%0.27234%0.336SS..G310 helixtrans-67.2-15.2177.3-168.962.1000113.8Y481 Q484 L485 P489 S493Y481-L491 HydrophobicContact CD1-CD2 3.99Å; Y481-L491 HydrophobicContact CE1-CD2 4.41Å; Q484-L491 HydrophobicContact CB-CD2 3.58Å; L485-L491 HydrophobicContact CD2-CB 3.92Å; L485-L491 HydrophobicContact CG-CD2 4.34Å; P489-L491 PolarHBondContact O-N 2.86Å; L491-S493 PolarHBondContact O-N 2.89Å
492L82.8Confident86.8Confident10 Ų1063.8 Ų63.85%0.05235%0.351CS..  trans-7995.8165-57.9-179.6000108.7Y386 I449 E451 V460 K462 L485 A490Y386-L492 HydrophobicContact CD1-CD1 4.35Å; Y386-L492 HydrophobicContact CE1-CD1 4.22Å; I449-L492 HydrophobicContact CB-CD2 4.49Å; E451-L492 HydrophobicContact CB-CD1 3.82Å; V460-L492 HydrophobicContact CB-CB 3.9Å; V460-L492 HydrophobicContact CB-CD1 4.23Å; V460-L492 HydrophobicContact CG1-CB 3.68Å; V460-L492 WeakPolarHBondContact CG1-O 3.37Å; K462-L492 HydrophobicContact CB-CD2 4.1Å; L485-L492 HydrophobicContact CD1-CD2 4.19Å; L485-L492 HydrophobicContact CD2-CD1 4.48Å; L485-L492 HydrophobicContact CD2-CD2 3.75Å; L485-L492 HydrophobicContact CD2-CG 3.69Å; A490-L492 PolarHBondContact O-N 2.8Å
493S79.6Confident86.6Confident93 Ų9367.6 Ų67.665%0.6537%0.372SS*.  trans-85.9-28.9-173.454.20000114.6L491L491-S493 PolarHBondContact O-N 2.89Å
494S87Confident86.3Confident47 Ų4766.5 Ų66.533%0.32936%0.364SS..EExtended strand (participates in β ladder)trans-95.8134.7-171.6-540000110.9V460 Y461V460-S494 CarbonylContact C-O 3.5Å; V460-S494 VanDerWaalsContact CA-O 3.27Å; V460-S494 WeakPolarHBondContact CA-O 3.18Å; V460-S494 VanDerWaalsContact CG1-O 3.29Å; V460-S494 WeakPolarHBondContact CG1-O 3.41Å; Y461-S494 WeakPolarHBondContact CD1-O 3.26Å; Y461-S494 VanDerWaalsContact CE1-CB 3.44Å; Y461-S494 PolarHBondContact N-O 2.83Å; Y461-S494 WeakPolarHBondContact O-CB 3.49Å; Y461-S494 PolarHBondContact O-N 3.29Å
495E90.1Very high85.8Confident101 Ų10165.9 Ų65.947%0.47236%0.364SS..EExtended strand (participates in β ladder)trans-120.1129.2175.4179.6161.9-155.900110.3R453 V459R453-E495 IonicContact CZ-OE1 3.51Å; R453-E495 IonicContact CZ-OE2 2.62Å; R453-E495 IonicContact NE-OE1 2.64Å; R453-E495 IonicContact NH1-OE1 3.85Å; R453-E495 PolarHBondContact NH1-OE1 2.72Å; R453-E495 IonicContact NH1-OE2 3.67Å; R453-E495 PolarHBondContact NH1-OE2 2.99Å; R453-E495 IonicContact NH2-OE2 3.87Å; V459-E495 WeakPolarHBondContact O-CA 3.49Å
496A90.6Very high85.3Confident17 Ų1768.3 Ų68.314%0.1438%0.384CS..EExtended strand (participates in β ladder)trans-138.7166.5-178.500000111.4T433 R458 V459 Y461T433-A496 HydrophobicContact CG2-CB 3.86Å; R458-A496 WeakPolarHBondContact CA-O 3.38Å; V459-A496 HydrophobicContact CG2-CB 4.43Å; V459-A496 PolarHBondContact N-O 3.42Å; V459-A496 PolarHBondContact O-N 3.4Å; Y461-A496 HydrophobicContact CD1-CB 4.28Å; Y461-A496 HydrophobicContact CE1-CB 3.6Å
497V91.4Very high84.6Confident93 Ų9366.2 Ų66.256%0.56439%0.385SS*.EExtended strand (participates in β ladder)trans-109.7110.6170.9-1670000107.2R458R458-V497 HydrophobicContact CG-CG2 4.27Å
498L91Very high84.1Confident9 Ų962.5 Ų62.55%0.04738%0.377CS..PPolyproline II helixtrans-74.8139.4176.5-65.4173.8000110.5F371 F430 T433 L434 L450 G457 V459F371-L498 HydrophobicContact CE1-CD1 4.26Å; F371-L498 HydrophobicContact CZ-CD1 3.84Å; F430-L498 HydrophobicContact CD2-CB 4.44Å; F430-L498 HydrophobicContact CD2-CD1 4.48Å; F430-L498 HydrophobicContact CD2-CD2 4.33Å; F430-L498 HydrophobicContact CE2-CB 4.4Å; F430-L498 HydrophobicContact CE2-CD1 3.74Å; F430-L498 HydrophobicContact CE2-CD2 4.28Å; F430-L498 HydrophobicContact CE2-CG 4.38Å; F430-L498 HydrophobicContact CZ-CD1 4.03Å; T433-L498 HydrophobicContact CG2-CD2 3.86Å; L434-L498 HydrophobicContact CD1-CD2 4.16Å; L434-L498 HydrophobicContact CD2-CD2 3.99Å; L434-L498 HydrophobicContact CG-CD2 3.84Å; L450-L498 HydrophobicContact CD2-CD1 4.3Å; G457-L498 PolarHBondContact O-N 2.72Å; V459-L498 HydrophobicContact CB-CD1 4.35Å; V459-L498 HydrophobicContact CG1-CD1 3.46Å; V459-L498 VanDerWaalsContact CG1-CD1 3.46Å; V459-L498 HydrophobicContact CG1-CG 3.98Å; V459-L498 HydrophobicContact CG2-CD1 3.97Å; V459-L498 HydrophobicContact CG2-CD2 4.38Å; V459-L498 HydrophobicContact CG2-CG 3.84Å
499P90.3Very high83.4Confident34 Ų3465.3 Ų65.322%0.22139%0.386CS..PPolyproline II helixtrans-66.5162.4167.329.7-34.4000111.1E429 F430E429-P499 HydrophobicContact CB-CB 4.43Å; E429-P499 HydrophobicContact CB-CG 3.81Å; F430-P499 HydrophobicContact CB-CG 4.33Å
500D89Confident82.9Confident123 Ų12368.8 Ų68.866%0.65840%0.401SS*.PPolyproline II helixtrans-70.6134.3171.4-75.5-47.4000110.4Q368Q368-D500 PolarHBondContact NE2-OD1 2.89Å
501L88.6Confident82.5Confident13 Ų1369.3 Ų69.37%0.06839%0.393CS..PPolyproline II helixtrans-67.4134.5179.8-73.2163.3000112.2L365 F371 Q427 F430L365-L501 HydrophobicContact CB-CD1 3.85Å; L365-L501 HydrophobicContact CD1-CD1 4.45Å; F371-L501 HydrophobicContact CB-CD1 3.56Å; F371-L501 HydrophobicContact CD1-CD1 4.12Å; F371-L501 HydrophobicContact CG-CD1 3.91Å; Q427-L501 HydrophobicContact CB-CD2 4.17Å; Q427-L501 HydrophobicContact CG-CD2 3.84Å; F430-L501 HydrophobicContact CB-CD2 4.14Å; F430-L501 HydrophobicContact CD1-CD2 4.45Å; F430-L501 HydrophobicContact CD2-CD2 3.52Å; F430-L501 HydrophobicContact CD2-CG 3.96Å; F430-L501 HydrophobicContact CE2-CD1 4.36Å; F430-L501 HydrophobicContact CE2-CD2 3.96Å; F430-L501 HydrophobicContact CE2-CG 4.14Å; F430-L501 HydrophobicContact CG-CD2 3.8Å
502T86.8Confident81.9Confident84 Ų8474.4 Ų74.452%0.51541%0.409SS..PPolyproline II helixtrans-69.7139.1171.366.60000110.1T366 Q427 E504T366-T502 VanDerWaalsContact O-O 3.13Å; Q427-T502 VanDerWaalsContact CD-OG1 3.31Å; Q427-T502 PolarHBondContact NE2-O 3.01Å; Q427-T502 PolarHBondContact NE2-OG1 3.44Å; Q427-T502 PolarHBondContact OE1-OG1 3.12Å; T502-E504 PolarHBondContact O-N 3.42Å
503D85.7Confident81.7Confident84 Ų8481.5 Ų81.545%0.44944%0.435SS..  trans-81.4100.8-178.2-161.3-39.5000111.3T366 S367 L505 A506T366-D503 WeakPolarHBondContact O-CA 3.48Å; S367-D503 VanDerWaalsContact CB-OD2 3.28Å; S367-D503 WeakPolarHBondContact CB-OD2 3.34Å; D503-L505 PolarHBondContact O-N 2.91Å; D503-L505 PolarHBondContact OD1-N 3.31Å; D503-A506 HydrophobicContact CB-CB 3.86Å; D503-A506 PolarHBondContact OD1-N 3.24Å
504E84.2Confident81.6Confident43 Ų4383.2 Ų83.220%0.20143%0.431CS..THydrogen-bonded Turntrans-68.1-18-179.2-74.5173.5-134.500113.9R364 T366 R426 Q427 T502R364-E504 IonicContact CZ-OE2 2.7Å; R364-E504 IonicContact NH1-OE2 3.9Å; R364-E504 PolarHBondContact NH1-OE2 3.17Å; T366-E504 HydrophobicContact CG2-CB 4.25Å; T366-E504 PolarHBondContact O-N 3.5Å; R426-E504 HydrophobicContact CB-CG 4.37Å; Q427-E504 PolarHBondContact NE2-OE1 3.2Å; T502-E504 PolarHBondContact O-N 3.42Å
505L80.5Confident81.1Confident86 Ų8687.8 Ų87.845%0.4544%0.442SS..THydrogen-bonded Turntrans-111.2-6.8-173.7-62178.1000112.8N270 T366 D503N270-L505 HydrophobicContact CB-CD1 4.4Å; T366-L505 HydrophobicContact CG2-CD1 4.05Å; T366-L505 HydrophobicContact CG2-CG 4.16Å; D503-L505 PolarHBondContact O-N 2.91Å; D503-L505 PolarHBondContact OD1-N 3.31Å
506A75.9Confident80.3Confident55 Ų5586.6 Ų86.646%0.45545%0.445SS..SBendtrans-63.3132170.800000110.9D503 V508D503-A506 HydrophobicContact CB-CB 3.86Å; D503-A506 PolarHBondContact OD1-N 3.24Å; A506-V508 PolarHBondContact O-N 2.92Å
507P68.1Low79.7Confident64 Ų6487 Ų8742%0.41645%0.449SS..  trans-63.5133.217526-33.3000110.1F509 L511 R512P507-F509 PolarHBondContact O-N 3.05Å; P507-L511 HydrophobicContact CB-CB 4.34Å; P507-R512 HydrophobicContact CG-CB 4.15Å; P507-R512 HydrophobicContact CG-CG 4.19Å
508V74.4Confident79.1Confident103 Ų10386.1 Ų86.162%0.62445%0.447SS*.  trans-46139.1176.3-1780000110A506 L510 L511 R512A506-V508 PolarHBondContact O-N 2.92Å; V508-L510 CarbonylContact O-C 3.59Å; V508-L510 PolarHBondContact O-N 2.89Å; V508-L511 HydrophobicContact CB-CD1 4.46Å; V508-L511 CarbonylContact O-C 3.52Å; V508-L511 WeakPolarHBondContact O-CA 3.41Å; V508-L511 WeakPolarHBondContact O-CB 3.37Å; V508-L511 PolarHBondContact O-N 2.83Å; V508-R512 PolarHBondContact O-N 3.02Å
509F71.1Confident78.2Confident145 Ų14589.8 Ų89.864%0.63647%0.466SS*.Hα-helixtrans-43.5-44.8-171.7176.9-95.5000114.7P507 R512 W513P507-F509 PolarHBondContact O-N 3.05Å; F509-R512 PolarHBondContact O-N 3.25Å; F509-W513 PolarHBondContact O-N 3.26Å
510L68.8Low77.6Confident115 Ų11596.2 Ų96.260%0.60249%0.487SS*.Hα-helixtrans-64.7-44176.6-64.6176.1000112.8V508 R512 W513 F514V508-L510 CarbonylContact O-C 3.59Å; V508-L510 PolarHBondContact O-N 2.89Å; L510-R512 VanDerWaalsContact C-N 3.34Å; L510-W513 PolarHBondContact O-N 3.12Å; L510-F514 WeakPolarHBondContact O-CD2 3.45Å; L510-F514 PolarHBondContact O-N 2.88Å
511L71.9Confident77.1Confident84 Ų8495.7 Ų95.744%0.4448%0.483SS..Hα-helixtrans-62.7-40.7172.8-84.1162.5000111.2P507 V508 W513 F514 Y515P507-L511 HydrophobicContact CB-CB 4.34Å; V508-L511 HydrophobicContact CB-CD1 4.46Å; V508-L511 CarbonylContact O-C 3.52Å; V508-L511 WeakPolarHBondContact O-CA 3.41Å; V508-L511 WeakPolarHBondContact O-CB 3.37Å; V508-L511 PolarHBondContact O-N 2.83Å; L511-W513 VanDerWaalsContact C-N 3.29Å; L511-W513 PolarHBondContact O-N 2.98Å; L511-F514 PolarHBondContact O-N 3.34Å; L511-Y515 HydrophobicContact CB-CD2 4.4Å; L511-Y515 HydrophobicContact CB-CE2 4.23Å; L511-Y515 HydrophobicContact CD2-CE2 4.07Å; L511-Y515 WeakPolarHBondContact O-CD2 3.42Å; L511-Y515 PolarHBondContact O-N 3.35Å
512R72.9Confident76.4Confident159 Ų15997.7 Ų97.760%0.650%0.498SS*.Hα-helixtrans-61-38.8174.7-160-176.981174.75.6111.8P507 V508 F509 L510 S516P507-R512 HydrophobicContact CG-CB 4.15Å; P507-R512 HydrophobicContact CG-CG 4.19Å; V508-R512 PolarHBondContact O-N 3.02Å; F509-R512 PolarHBondContact O-N 3.25Å; L510-R512 VanDerWaalsContact C-N 3.34Å; R512-S516 VanDerWaalsContact O-CB 3.31Å; R512-S516 WeakPolarHBondContact O-CB 3.28Å; R512-S516 PolarHBondContact O-N 2.67Å
513W77.6Confident75.3Confident159 Ų15996.5 Ų96.560%0.60249%0.489SS*.Hα-helixtrans-68.1-44.8173.9-172.688.2000112F509 L510 L511 Y515 S516 A517F509-W513 PolarHBondContact O-N 3.26Å; L510-W513 PolarHBondContact O-N 3.12Å; L511-W513 VanDerWaalsContact C-N 3.29Å; L511-W513 PolarHBondContact O-N 2.98Å; W513-Y515 PolarHBondContact O-N 3.33Å; W513-S516 PolarHBondContact O-N 2.84Å; W513-A517 HydrophobicContact CE3-CB 4.48Å; W513-A517 HydrophobicContact CZ3-CB 4.39Å; W513-A517 VanDerWaalsContact O-CB 3.29Å; W513-A517 WeakPolarHBondContact O-CB 3.27Å; W513-A517 PolarHBondContact O-N 3.44Å
514F77.7Confident74.4Confident130 Ų13095.2 Ų95.257%0.5749%0.485SS*.Hα-helixtrans-62.6-40.8175.9-84.1-65.1000113L510 L511 A517 S518L510-F514 WeakPolarHBondContact O-CD2 3.45Å; L510-F514 PolarHBondContact O-N 2.88Å; L511-F514 PolarHBondContact O-N 3.34Å; F514-A517 PolarHBondContact O-N 3.23Å; F514-S518 VanDerWaalsContact O-CB 3.23Å; F514-S518 WeakPolarHBondContact O-CB 3.45Å; F514-S518 PolarHBondContact O-N 3.46Å
515Y75.8Confident73.8Confident142 Ų142100.3 Ų100.356%0.55750%0.503SS*.Hα-helixtrans-64.5-48172.8-73.1-57.5000111L511 W513 A517 S518 D519L511-Y515 HydrophobicContact CB-CD2 4.4Å; L511-Y515 HydrophobicContact CB-CE2 4.23Å; L511-Y515 HydrophobicContact CD2-CE2 4.07Å; L511-Y515 WeakPolarHBondContact O-CD2 3.42Å; L511-Y515 PolarHBondContact O-N 3.35Å; W513-Y515 PolarHBondContact O-N 3.33Å; Y515-A517 VanDerWaalsContact C-N 3.27Å; Y515-A517 PolarHBondContact O-N 2.83Å; Y515-S518 PolarHBondContact O-N 2.62Å; Y515-S518 VanDerWaalsContact O-N 3.15Å; Y515-D519 WeakPolarHBondContact O-CB 3.27Å; Y515-D519 PolarHBondContact O-N 2.8Å
516S73.3Confident73Confident77 Ų7799 Ų9954%0.53850%0.497SS..Hα-helixtrans-61-34.2176.9-171.60000113.3R512 W513 Y520R512-S516 VanDerWaalsContact O-CB 3.31Å; R512-S516 WeakPolarHBondContact O-CB 3.28Å; R512-S516 PolarHBondContact O-N 2.67Å; W513-S516 PolarHBondContact O-N 2.84Å; S516-Y520 VanDerWaalsContact O-CB 3.29Å; S516-Y520 WeakPolarHBondContact O-CB 3.48Å; S516-Y520 PolarHBondContact O-N 2.98Å; S516-Y520 VanDerWaalsContact O-N 3.07Å
517A78.6Confident72.3Confident25 Ų2599 Ų9921%0.20749%0.493CS..Hα-helixtrans-74.4-39.717500000111.6W513 F514 Y515 Y520 I521W513-A517 HydrophobicContact CE3-CB 4.48Å; W513-A517 HydrophobicContact CZ3-CB 4.39Å; W513-A517 VanDerWaalsContact O-CB 3.29Å; W513-A517 WeakPolarHBondContact O-CB 3.27Å; W513-A517 PolarHBondContact O-N 3.44Å; F514-A517 PolarHBondContact O-N 3.23Å; Y515-A517 VanDerWaalsContact C-N 3.27Å; Y515-A517 PolarHBondContact O-N 2.83Å; A517-Y520 PolarHBondContact O-N 3.33Å; A517-I521 WeakPolarHBondContact O-CB 3.46Å; A517-I521 WeakPolarHBondContact O-CD1 3.41Å; A517-I521 WeakPolarHBondContact O-CG1 3.16Å; A517-I521 PolarHBondContact O-N 3.4Å
518S78.1Confident72.1Confident75 Ų7598.8 Ų98.852%0.52449%0.488SS..Hα-helixtrans-66.1-40.9175.1-171.10000112F514 Y515 I521 S522F514-S518 VanDerWaalsContact O-CB 3.23Å; F514-S518 WeakPolarHBondContact O-CB 3.45Å; F514-S518 PolarHBondContact O-N 3.46Å; Y515-S518 PolarHBondContact O-N 2.62Å; Y515-S518 VanDerWaalsContact O-N 3.15Å; S518-I521 PolarHBondContact O-N 3.19Å; S518-S522 WeakPolarHBondContact O-CB 3.21Å; S518-S522 PolarHBondContact O-N 3.24Å
519D73.2Confident71.4Confident85 Ų8597.3 Ų97.346%0.45547%0.473SS..Hα-helixtrans-61.4-48.7172.7-83.6-43.7000110.3K225 Y515 I521 S522 D523K225-D519 IonicContact NZ-OD1 3.28Å; K225-D519 PolarHBondContact NZ-OD1 3.24Å; Y515-D519 WeakPolarHBondContact O-CB 3.27Å; Y515-D519 PolarHBondContact O-N 2.8Å; D519-I521 VanDerWaalsContact C-N 3.34Å; D519-I521 PolarHBondContact O-N 2.84Å; D519-S522 PolarHBondContact O-N 2.79Å; D519-D523 WeakPolarHBondContact O-CB 3.31Å; D519-D523 PolarHBondContact O-N 3.46Å
520Y77.9Confident70.8Confident170 Ų17096 Ų9667%0.66747%0.469SS*.Hα-helixtrans-62.9-37.7177.5-176-96.8000112.8S516 A517 C524S516-Y520 VanDerWaalsContact O-CB 3.29Å; S516-Y520 WeakPolarHBondContact O-CB 3.48Å; S516-Y520 PolarHBondContact O-N 2.98Å; S516-Y520 VanDerWaalsContact O-N 3.07Å; A517-Y520 PolarHBondContact O-N 3.33Å; Y520-C524 WeakPolarHBondContact O-CB 3.29Å; Y520-C524 PolarHBondContact O-N 3.19Å
521I79Confident70.2Confident112 Ų11292.8 Ų92.857%0.57445%0.452SS*.Hα-helixtrans-67.6-40174.4-72163.8000110.7A517 S518 D519 W525A517-I521 WeakPolarHBondContact O-CB 3.46Å; A517-I521 WeakPolarHBondContact O-CD1 3.41Å; A517-I521 WeakPolarHBondContact O-CG1 3.16Å; A517-I521 PolarHBondContact O-N 3.4Å; S518-I521 PolarHBondContact O-N 3.19Å; D519-I521 VanDerWaalsContact C-N 3.34Å; D519-I521 PolarHBondContact O-N 2.84Å; I521-W525 VanDerWaalsContact O-CB 3.26Å; I521-W525 WeakPolarHBondContact O-CB 3.39Å; I521-W525 PolarHBondContact O-N 3.24Å
522S73.3Confident69.4Low54 Ų5491.7 Ų91.738%0.37845%0.447SS..Hα-helixtrans-66-43.6175.1-160.30000111.7S518 D519 C524 W525 D526S518-S522 WeakPolarHBondContact O-CB 3.21Å; S518-S522 PolarHBondContact O-N 3.24Å; D519-S522 PolarHBondContact O-N 2.79Å; S522-C524 VanDerWaalsContact C-N 3.34Å; S522-C524 PolarHBondContact O-N 3.45Å; S522-W525 WeakPolarHBondContact O-CB 3.47Å; S522-W525 PolarHBondContact O-N 3.35Å; S522-D526 PolarHBondContact O-N 2.91Å
523D63.3Low68.8Low60 Ų6090.2 Ų90.232%0.32144%0.441SS..Hα-helixtrans-65-40.2178.4-65.5-22.1000111.2K225 D519 S527K225-D523 VanDerWaalsContact CD-OD1 3.29Å; K225-D523 WeakPolarHBondContact CD-OD1 3.35Å; K225-D523 VanDerWaalsContact CE-OD1 3.23Å; K225-D523 WeakPolarHBondContact CE-OD1 3.46Å; K225-D523 WeakPolarHBondContact CE-OD2 3.38Å; K225-D523 IonicContact NZ-OD1 2.72Å; K225-D523 PolarHBondContact NZ-OD1 3Å; K225-D523 IonicContact NZ-OD2 3.35Å; K225-D523 PolarHBondContact NZ-OD2 2.94Å; D519-D523 WeakPolarHBondContact O-CB 3.31Å; D519-D523 PolarHBondContact O-N 3.46Å; D523-S527 WeakPolarHBondContact O-CB 2.98Å; D523-S527 PolarHBondContact O-N 2.72Å
524C67.5Low68Low56 Ų5693.7 Ų93.738%0.37845%0.454SS..Hα-helixtrans-64.8-42.1173.3-167.40000111.1Y520 S522 I528Y520-C524 WeakPolarHBondContact O-CB 3.29Å; Y520-C524 PolarHBondContact O-N 3.19Å; S522-C524 VanDerWaalsContact C-N 3.34Å; S522-C524 PolarHBondContact O-N 3.45Å; C524-I528 WeakPolarHBondContact O-CB 3.26Å; C524-I528 WeakPolarHBondContact O-CD1 2.97Å; C524-I528 WeakPolarHBondContact O-CG1 3.43Å; C524-I528 PolarHBondContact O-N 2.97Å
525W71.9Confident67.3Low150 Ų15093.2 Ų93.257%0.56845%0.454SS*.Hα-helixtrans-62-51.9176-173.8-84.8000111.8I521 S522 S527 I528 F529I521-W525 VanDerWaalsContact O-CB 3.26Å; I521-W525 WeakPolarHBondContact O-CB 3.39Å; I521-W525 PolarHBondContact O-N 3.24Å; S522-W525 WeakPolarHBondContact O-CB 3.47Å; S522-W525 PolarHBondContact O-N 3.35Å; W525-S527 PolarHBondContact O-N 2.78Å; W525-I528 PolarHBondContact O-N 3.47Å; W525-F529 AromaticContact CD2-CD2 3.57Å; W525-F529 HydrophobicContact CD2-CD2 3.57Å; W525-F529 AromaticContact CD2-CE2 3.7Å; W525-F529 HydrophobicContact CD2-CE2 3.7Å; W525-F529 AromaticContact CE2-CD2 3.58Å; W525-F529 AromaticContact CE2-CE2 3.8Å; W525-F529 AromaticContact CE3-CD2 3.98Å; W525-F529 HydrophobicContact CE3-CD2 3.98Å; W525-F529 AromaticContact CE3-CE2 3.6Å; W525-F529 HydrophobicContact CE3-CE2 3.6Å; W525-F529 AromaticContact CG-CD2 3.9Å; W525-F529 HydrophobicContact CG-CD2 3.9Å; W525-F529 HydrophobicContact CG-CE2 4.44Å; W525-F529 HydrophobicContact CH2-CD2 4.36Å; W525-F529 AromaticContact CH2-CE2 3.74Å; W525-F529 HydrophobicContact CH2-CE2 3.74Å; W525-F529 HydrophobicContact CH2-CZ 4Å; W525-F529 AromaticContact CZ2-CD2 3.99Å; W525-F529 HydrophobicContact CZ2-CD2 3.99Å; W525-F529 AromaticContact CZ2-CE2 3.83Å; W525-F529 HydrophobicContact CZ2-CE2 3.83Å; W525-F529 HydrophobicContact CZ2-CZ 4.22Å; W525-F529 HydrophobicContact CZ3-CD2 4.35Å; W525-F529 AromaticContact CZ3-CE2 3.62Å; W525-F529 HydrophobicContact CZ3-CE2 3.62Å; W525-F529 HydrophobicContact CZ3-CZ 4.2Å; W525-F529 AromaticContact NE1-CD2 3.88Å; W525-F529 WeakPolarHBondContact O-CB 3.38Å; W525-F529 WeakPolarHBondContact O-CD2 3.19Å; W525-F529 PolarHBondContact O-N 2.83Å
526D62.7Low66.7Low60 Ų6088.6 Ų88.632%0.32144%0.438SS..Hα-helixtrans-68.2-33.5-179.8-72.8-41.2000112.6S522 H530 N531S522-D526 PolarHBondContact O-N 2.91Å; D526-H530 WeakPolarHBondContact O-CA 3.46Å; D526-H530 WeakPolarHBondContact O-CB 3.4Å; D526-H530 PolarHBondContact O-N 2.79Å; D526-H530 IonicContact OD1-CE1 3.89Å; D526-H530 PolarHBondContact OD1-CE1 3.4Å; D526-H530 IonicContact OD1-CG 2.61Å; D526-H530 IonicContact OD1-ND1 3.29Å; D526-H530 PolarHBondContact OD1-ND1 3.1Å; D526-N531 PolarHBondContact O-N 2.64Å; D526-N531 VanDerWaalsContact O-N 3.08Å
527S61.8Low66.4Low53 Ų5391.4 Ų91.437%0.37144%0.444SS..Iπ-helixtrans-63.1-45.5171.6-174.10000112D523 W525 N532D523-S527 WeakPolarHBondContact O-CB 2.98Å; D523-S527 PolarHBondContact O-N 2.72Å; W525-S527 PolarHBondContact O-N 2.78Å; S527-N532 PolarHBondContact O-N 2.8Å
528I63.2Low66.3Low61 Ų6194.2 Ų94.231%0.31346%0.46SS..Iπ-helixtrans-72.6-44.5-178.7-70.7168.3000112.1C524 W525 M536C524-I528 WeakPolarHBondContact O-CB 3.26Å; C524-I528 WeakPolarHBondContact O-CD1 2.97Å; C524-I528 WeakPolarHBondContact O-CG1 3.43Å; C524-I528 PolarHBondContact O-N 2.97Å; W525-I528 PolarHBondContact O-N 3.47Å; I528-M536 HydrophobicContact CG2-CE 4.4Å
529F61Low66.3Low72 Ų7295 Ų9532%0.31646%0.458SS..Iπ-helixtrans-95.8-28-170-74.3-80.1000114.8W525 W533W525-F529 AromaticContact CD2-CD2 3.57Å; W525-F529 HydrophobicContact CD2-CD2 3.57Å; W525-F529 AromaticContact CD2-CE2 3.7Å; W525-F529 HydrophobicContact CD2-CE2 3.7Å; W525-F529 AromaticContact CE2-CD2 3.58Å; W525-F529 AromaticContact CE2-CE2 3.8Å; W525-F529 AromaticContact CE3-CD2 3.98Å; W525-F529 HydrophobicContact CE3-CD2 3.98Å; W525-F529 AromaticContact CE3-CE2 3.6Å; W525-F529 HydrophobicContact CE3-CE2 3.6Å; W525-F529 AromaticContact CG-CD2 3.9Å; W525-F529 HydrophobicContact CG-CD2 3.9Å; W525-F529 HydrophobicContact CG-CE2 4.44Å; W525-F529 HydrophobicContact CH2-CD2 4.36Å; W525-F529 AromaticContact CH2-CE2 3.74Å; W525-F529 HydrophobicContact CH2-CE2 3.74Å; W525-F529 HydrophobicContact CH2-CZ 4Å; W525-F529 AromaticContact CZ2-CD2 3.99Å; W525-F529 HydrophobicContact CZ2-CD2 3.99Å; W525-F529 AromaticContact CZ2-CE2 3.83Å; W525-F529 HydrophobicContact CZ2-CE2 3.83Å; W525-F529 HydrophobicContact CZ2-CZ 4.22Å; W525-F529 HydrophobicContact CZ3-CD2 4.35Å; W525-F529 AromaticContact CZ3-CE2 3.62Å; W525-F529 HydrophobicContact CZ3-CE2 3.62Å; W525-F529 HydrophobicContact CZ3-CZ 4.2Å; W525-F529 AromaticContact NE1-CD2 3.88Å; W525-F529 WeakPolarHBondContact O-CB 3.38Å; W525-F529 WeakPolarHBondContact O-CD2 3.19Å; W525-F529 PolarHBondContact O-N 2.83Å; F529-W533 AromaticContact CD1-CE3 3.99Å; F529-W533 HydrophobicContact CD1-CE3 3.99Å; F529-W533 AromaticContact CD1-CZ3 3.55Å; F529-W533 HydrophobicContact CD1-CZ3 3.55Å; F529-W533 AromaticContact CE1-CZ3 3.82Å; F529-W533 HydrophobicContact CE1-CZ3 3.82Å
530H57Low66.6Low118 Ų11893.1 Ų93.155%0.54645%0.448SS..Iπ-helixtrans-107.8-46.9-177.4-65.9122.4000113.3D526D526-H530 WeakPolarHBondContact O-CA 3.46Å; D526-H530 WeakPolarHBondContact O-CB 3.4Å; D526-H530 PolarHBondContact O-N 2.79Å; D526-H530 IonicContact OD1-CE1 3.89Å; D526-H530 PolarHBondContact OD1-CE1 3.4Å; D526-H530 IonicContact OD1-CG 2.61Å; D526-H530 IonicContact OD1-ND1 3.29Å; D526-H530 PolarHBondContact OD1-ND1 3.1Å
531N56.3Low66.9Low47 Ų4788.3 Ų88.325%0.25144%0.439SS..Iπ-helixtrans-79.3-51.3-177.3-66.9-24000112.7F228 D526F228-N531 HydrophobicContact CD2-CB 4.34Å; D526-N531 PolarHBondContact O-N 2.64Å; D526-N531 VanDerWaalsContact O-N 3.08Å
532N55.1Low67.5Low60 Ų6088.5 Ų88.532%0.32144%0.441SS..SBendtrans-103.515.4-170.4-69.661.8000114.7S527 R534 E535 M536S527-N532 PolarHBondContact O-N 2.8Å; N532-R534 VanDerWaalsContact C-N 3.25Å; N532-R534 PolarHBondContact O-N 3.19Å; N532-E535 PolarHBondContact ND2-OE2 3.36Å; N532-E535 WeakPolarHBondContact O-CA 3.49Å; N532-E535 PolarHBondContact O-N 3.43Å; N532-M536 HydrophobicContact CB-CG 4.31Å; N532-M536 PolarHBondContact O-N 3.49Å
533W61.5Low68.2Low128 Ų12890.3 Ų90.349%0.48545%0.445SS..Hα-helixtrans-51.4-38.2-174.8-176.2-108.9000114.7F529 E535 M536 M537 L540F529-W533 AromaticContact CD1-CE3 3.99Å; F529-W533 HydrophobicContact CD1-CE3 3.99Å; F529-W533 AromaticContact CD1-CZ3 3.55Å; F529-W533 HydrophobicContact CD1-CZ3 3.55Å; F529-W533 AromaticContact CE1-CZ3 3.82Å; F529-W533 HydrophobicContact CE1-CZ3 3.82Å; W533-E535 VanDerWaalsContact C-N 3.33Å; W533-E535 PolarHBondContact O-N 2.79Å; W533-M536 PolarHBondContact O-N 3.19Å; W533-M537 PolarHBondContact O-N 3.48Å; W533-M537 VanDerWaalsContact O-N 3.15Å; W533-L540 HydrophobicContact CE3-CD1 4.38Å; W533-L540 HydrophobicContact CH2-CD1 4.06Å; W533-L540 HydrophobicContact CZ3-CD1 3.72Å
534R58.9Low69.4Low233 Ų23394.1 Ų94.188%0.87946%0.459SS*.Hα-helixtrans-66.1-31.3176.8-77.3-177.3168.7-178.6-2.5113.6N532N532-R534 VanDerWaalsContact C-N 3.25Å; N532-R534 PolarHBondContact O-N 3.19Å
535E63.1Low70.6Confident120 Ų12094.4 Ų94.456%0.56146%0.462SS*.Hα-helixtrans-88.9-29179-58.4-178.2160.300111.6N532 W533 P538N532-E535 PolarHBondContact ND2-OE2 3.36Å; N532-E535 WeakPolarHBondContact O-CA 3.49Å; N532-E535 PolarHBondContact O-N 3.43Å; W533-E535 VanDerWaalsContact C-N 3.33Å; W533-E535 PolarHBondContact O-N 2.79Å; E535-P538 VanDerWaalsContact O-CD 3.27Å; E535-P538 WeakPolarHBondContact O-CD 3.45Å; E535-P538 VanDerWaalsContact O-CG 3.28Å; E535-P538 WeakPolarHBondContact O-CG 3.28Å
536M64.2Low71.5Confident44 Ų4489.4 Ų89.422%0.21745%0.453CS..Hα-helixtrans-74.8-23.3176.2-72.5-58-57.900113.7I528 N532 W533 L539 L540I528-M536 HydrophobicContact CG2-CE 4.4Å; N532-M536 HydrophobicContact CB-CG 4.31Å; N532-M536 PolarHBondContact O-N 3.49Å; W533-M536 PolarHBondContact O-N 3.19Å; M536-L539 HydrophobicContact CE-CB 4.25Å; M536-L539 HydrophobicContact CE-CD1 4.21Å; M536-L539 PolarHBondContact O-N 2.87Å; M536-L539 VanDerWaalsContact O-N 3.08Å; M536-L539 HydrophobicContact SD-CD1 3.88Å; M536-L540 HydrophobicContact CB-CD1 4.46Å; M536-L540 PolarHBondContact O-N 3.13Å
537M67.2Low72.8Confident137 Ų13790.9 Ų90.968%0.67546%0.46SS*.Hα-helixtrans-51.8-49.1179.6-169.9-175.1-179.900114.5W533 L539 L540 S541W533-M537 PolarHBondContact O-N 3.48Å; W533-M537 VanDerWaalsContact O-N 3.15Å; M537-L539 PolarHBondContact O-N 3.09Å; M537-L540 PolarHBondContact O-N 2.87Å; M537-S541 WeakPolarHBondContact O-CB 3.3Å; M537-S541 PolarHBondContact O-N 2.86Å
538P76.3Confident74.3Confident84 Ų8496.2 Ų96.255%0.54548%0.476SS..Hα-helixtrans-64-35.317523.8-35.3000113.5E535 S541 L542E535-P538 VanDerWaalsContact O-CD 3.27Å; E535-P538 WeakPolarHBondContact O-CD 3.45Å; E535-P538 VanDerWaalsContact O-CG 3.28Å; E535-P538 WeakPolarHBondContact O-CG 3.28Å; P538-S541 PolarHBondContact O-N 3.33Å; P538-L542 WeakPolarHBondContact O-CB 3.5Å; P538-L542 PolarHBondContact O-N 3.01Å
539L77.8Confident75.6Confident91 Ų9198.6 Ų98.648%0.47649%0.489SS..Hα-helixtrans-69.3-43.5177.4-69.8172.7000111.7M536 M537 S541 L542 I543M536-L539 HydrophobicContact CE-CB 4.25Å; M536-L539 HydrophobicContact CE-CD1 4.21Å; M536-L539 PolarHBondContact O-N 2.87Å; M536-L539 VanDerWaalsContact O-N 3.08Å; M536-L539 HydrophobicContact SD-CD1 3.88Å; M537-L539 PolarHBondContact O-N 3.09Å; L539-S541 VanDerWaalsContact C-N 3.33Å; L539-S541 PolarHBondContact O-N 2.04Å; L539-L542 PolarHBondContact O-N 3.2Å; L539-I543 VanDerWaalsContact O-CG1 3.32Å; L539-I543 WeakPolarHBondContact O-CG1 3.24Å; L539-I543 PolarHBondContact O-N 3.16Å
540L80.1Confident76.9Confident45 Ų45100.4 Ų100.424%0.23650%0.501CS..Hα-helixtrans-60.2-43.8171.7-75.3168.8000110.9W533 M536 M537 L542 I543 F544W533-L540 HydrophobicContact CE3-CD1 4.38Å; W533-L540 HydrophobicContact CH2-CD1 4.06Å; W533-L540 HydrophobicContact CZ3-CD1 3.72Å; M536-L540 HydrophobicContact CB-CD1 4.46Å; M536-L540 PolarHBondContact O-N 3.13Å; M537-L540 PolarHBondContact O-N 2.87Å; L540-L542 VanDerWaalsContact C-N 3.32Å; L540-L542 PolarHBondContact O-N 3.44Å; L540-I543 PolarHBondContact O-N 3Å; L540-F544 WeakPolarHBondContact O-CD2 3.49Å; L540-F544 PolarHBondContact O-N 3.05Å
541S84.4Confident78.4Confident70 Ų70101.8 Ų101.849%0.4951%0.506SS..Hα-helixtrans-59.4-42.2175-169.70000112.1M537 P538 L539 F544 S545M537-S541 WeakPolarHBondContact O-CB 3.3Å; M537-S541 PolarHBondContact O-N 2.86Å; P538-S541 PolarHBondContact O-N 3.33Å; L539-S541 VanDerWaalsContact C-N 3.33Å; L539-S541 PolarHBondContact O-N 2.04Å; S541-F544 PolarHBondContact O-N 2.92Å; S541-S545 WeakPolarHBondContact O-CB 3.49Å; S541-S545 PolarHBondContact O-N 2.89Å; S541-S545 PolarHBondContact O-OG 2.9Å; S541-S545 VanDerWaalsContact O-OG 3.07Å
542L90.1Very high79.8Confident116 Ų116100.8 Ų100.861%0.60751%0.507SS*.Hα-helixtrans-65-43.2178.1-157168.5000111P538 L539 L540 S545 A546P538-L542 WeakPolarHBondContact O-CB 3.5Å; P538-L542 PolarHBondContact O-N 3.01Å; L539-L542 PolarHBondContact O-N 3.2Å; L540-L542 VanDerWaalsContact C-N 3.32Å; L540-L542 PolarHBondContact O-N 3.44Å; L542-S545 PolarHBondContact O-N 3.36Å; L542-A546 WeakPolarHBondContact O-CB 3.49Å; L542-A546 PolarHBondContact O-N 3.24Å
543I88.6Confident81.1Confident91 Ų91101.6 Ų101.647%0.46751%0.514SS..Hα-helixtrans-62.3-46174.9-67.7163.4000111L539 L540 S545 A546 L547L539-I543 VanDerWaalsContact O-CG1 3.32Å; L539-I543 WeakPolarHBondContact O-CG1 3.24Å; L539-I543 PolarHBondContact O-N 3.16Å; L540-I543 PolarHBondContact O-N 3Å; I543-S545 PolarHBondContact O-N 3.3Å; I543-A546 PolarHBondContact O-N 3.47Å; I543-L547 HydrophobicContact CG2-CD1 3.95Å; I543-L547 HydrophobicContact CG2-CG 4.45Å; I543-L547 WeakPolarHBondContact O-CB 3.24Å; I543-L547 WeakPolarHBondContact O-CG 3.25Å; I543-L547 PolarHBondContact O-N 2.95Å
544F89.4Confident82.2Confident140 Ų14099.9 Ų99.961%0.61452%0.517SS*.Hα-helixtrans-63.9-38.3175.9-80.4-62.6000112.2L540 S541 F548L540-F544 WeakPolarHBondContact O-CD2 3.49Å; L540-F544 PolarHBondContact O-N 3.05Å; S541-F544 PolarHBondContact O-N 2.92Å; F544-F548 WeakPolarHBondContact O-CB 3.37Å; F544-F548 PolarHBondContact O-N 2.95Å
545S91.8Very high83.2Confident63 Ų6392.9 Ų92.944%0.44150%0.497SS..Hα-helixtrans-63.4-43.8172.3-65.60000112.3S541 L542 I543 F548 I549S541-S545 WeakPolarHBondContact O-CB 3.49Å; S541-S545 PolarHBondContact O-N 2.89Å; S541-S545 PolarHBondContact O-OG 2.9Å; S541-S545 VanDerWaalsContact O-OG 3.07Å; L542-S545 PolarHBondContact O-N 3.36Å; I543-S545 PolarHBondContact O-N 3.3Å; S545-F548 PolarHBondContact O-N 3.18Å; S545-I549 WeakPolarHBondContact O-CD1 3.35Å; S545-I549 VanDerWaalsContact O-CG1 3.25Å; S545-I549 WeakPolarHBondContact O-CG1 3.36Å; S545-I549 PolarHBondContact O-N 3.3Å
546A91.3Very high83.9Confident45 Ų4592 Ų9237%0.37250%0.5SS..Hα-helixtrans-64.5-42.7177.800000112.2L542 I543 I549 L550L542-A546 WeakPolarHBondContact O-CB 3.49Å; L542-A546 PolarHBondContact O-N 3.24Å; I543-A546 PolarHBondContact O-N 3.47Å; A546-I549 PolarHBondContact O-N 2.92Å; A546-L550 PolarHBondContact O-N 3.04Å
547L90.6Very high84.2Confident90 Ų9096.2 Ų96.247%0.47152%0.518SS..Hα-helixtrans-64.4-41.1173.9-72172000112I543 L550 F551I543-L547 HydrophobicContact CG2-CD1 3.95Å; I543-L547 HydrophobicContact CG2-CG 4.45Å; I543-L547 WeakPolarHBondContact O-CB 3.24Å; I543-L547 WeakPolarHBondContact O-CG 3.25Å; I543-L547 PolarHBondContact O-N 2.95Å; L547-L550 PolarHBondContact O-N 2.9Å; L547-F551 WeakPolarHBondContact O-CB 3.41Å; L547-F551 PolarHBondContact O-N 2.67Å
548F91.8Very high84.4Confident165 Ų16593 Ų9372%0.72451%0.514SS*.Hα-helixtrans-65.5-37.8176.7-174.3-93.4000112.1F544 S545 G552F544-F548 WeakPolarHBondContact O-CB 3.37Å; F544-F548 PolarHBondContact O-N 2.95Å; S545-F548 PolarHBondContact O-N 3.18Å; F548-G552 WeakPolarHBondContact O-CA 3.49Å; F548-G552 PolarHBondContact O-N 3.28Å
549I91.8Very high83.9Confident112 Ų11295.9 Ų95.957%0.57452%0.518SS*.Hα-helixtrans-64-48.3173-70.1162.3000110.3S545 A546 G552 T553S545-I549 WeakPolarHBondContact O-CD1 3.35Å; S545-I549 VanDerWaalsContact O-CG1 3.25Å; S545-I549 WeakPolarHBondContact O-CG1 3.36Å; S545-I549 PolarHBondContact O-N 3.3Å; A546-I549 PolarHBondContact O-N 2.92Å; I549-G552 PolarHBondContact O-N 3.35Å; I549-T553 WeakPolarHBondContact O-CG2 3.45Å; I549-T553 PolarHBondContact O-N 2.83Å; I549-T553 PolarHBondContact O-OG1 3.48Å
550L88.6Confident82.8Confident109 Ų10995.2 Ų95.257%0.57152%0.521SS*.Hα-helixtrans-59.7-53.1177.8-79165.8000112A546 L547 G552 T553 V554A546-L550 PolarHBondContact O-N 3.04Å; L547-L550 PolarHBondContact O-N 2.9Å; L550-G552 VanDerWaalsContact C-N 3.3Å; L550-G552 PolarHBondContact O-N 3.4Å; L550-T553 PolarHBondContact O-N 3.34Å; L550-T553 PolarHBondContact O-OG1 3.14Å; L550-V554 WeakPolarHBondContact O-CG2 3.44Å; L550-V554 PolarHBondContact O-N 3.07Å
551F87.2Confident81.6Confident147 Ų14799.9 Ų99.965%0.64555%0.546SS*.Hα-helixtrans-62.2-38.4177.1-113.4-86.2000112.2L547 V554 I555L547-F551 WeakPolarHBondContact O-CB 3.41Å; L547-F551 PolarHBondContact O-N 2.67Å; F551-V554 PolarHBondContact O-N 2.81Å; F551-I555 HydrophobicContact CD1-CD1 4.07Å; F551-I555 HydrophobicContact CD1-CG1 4.49Å; F551-I555 WeakPolarHBondContact O-CB 3.37Å; F551-I555 VanDerWaalsContact O-CG1 3.27Å; F551-I555 WeakPolarHBondContact O-CG1 3.21Å; F551-I555 PolarHBondContact O-N 2.95Å
552G85.1Confident80.1Confident27 Ų27100.6 Ų100.628%0.27855%0.551SS.*Hα-helixtrans-59.5-46.1174.600000112.2F548 I549 L550 I555 V556F548-G552 WeakPolarHBondContact O-CA 3.49Å; F548-G552 PolarHBondContact O-N 3.28Å; I549-G552 PolarHBondContact O-N 3.35Å; L550-G552 VanDerWaalsContact C-N 3.3Å; L550-G552 PolarHBondContact O-N 3.4Å; G552-I555 PolarHBondContact O-N 3.18Å; G552-V556 WeakPolarHBondContact O-CB 3.33Å; G552-V556 VanDerWaalsContact O-CG2 3.29Å; G552-V556 WeakPolarHBondContact O-CG2 3.33Å; G552-V556 PolarHBondContact O-N 3.17Å
553T83.3Confident78.1Confident76 Ų76101.7 Ų101.747%0.46656%0.558SS.*Hα-helixtrans-63.1-43.8175.852.20000112.5I549 L550 I555 V556 Q557I549-T553 WeakPolarHBondContact O-CG2 3.45Å; I549-T553 PolarHBondContact O-N 2.83Å; I549-T553 PolarHBondContact O-OG1 3.48Å; L550-T553 PolarHBondContact O-N 3.34Å; L550-T553 PolarHBondContact O-OG1 3.14Å; T553-I555 PolarHBondContact O-N 3.09Å; T553-V556 PolarHBondContact O-N 3.22Å; T553-Q557 VanDerWaalsContact O-CB 3.25Å; T553-Q557 WeakPolarHBondContact O-CB 3.35Å; T553-Q557 PolarHBondContact O-N 3Å
554V84.8Confident76.2Confident92 Ų92105.2 Ų105.256%0.55858%0.577SS**Hα-helixtrans-62.9-41.9177.3173.10000111.6L550 F551 A558L550-V554 WeakPolarHBondContact O-CG2 3.44Å; L550-V554 PolarHBondContact O-N 3.07Å; F551-V554 PolarHBondContact O-N 2.81Å; V554-A558 VanDerWaalsContact O-CB 3.27Å; V554-A558 WeakPolarHBondContact O-CB 3.48Å; V554-A558 PolarHBondContact O-N 3.16Å
555I79.3Confident73.9Confident87 Ų87105.6 Ų105.645%0.44658%0.581SS.*Hα-helixtrans-66.2-49.1177.1-72.3168.6000111F551 G552 T553 Q557 A558 F559F551-I555 HydrophobicContact CD1-CD1 4.07Å; F551-I555 HydrophobicContact CD1-CG1 4.49Å; F551-I555 WeakPolarHBondContact O-CB 3.37Å; F551-I555 VanDerWaalsContact O-CG1 3.27Å; F551-I555 WeakPolarHBondContact O-CG1 3.21Å; F551-I555 PolarHBondContact O-N 2.95Å; G552-I555 PolarHBondContact O-N 3.18Å; T553-I555 PolarHBondContact O-N 3.09Å; I555-Q557 VanDerWaalsContact C-N 3.3Å; I555-Q557 PolarHBondContact O-N 2.99Å; I555-A558 PolarHBondContact O-N 3.43Å; I555-F559 HydrophobicContact CG2-CD2 3.89Å; I555-F559 HydrophobicContact CG2-CE2 3.99Å; I555-F559 VanDerWaalsContact O-CD2 3.28Å; I555-F559 WeakPolarHBondContact O-CD2 3.3Å; I555-F559 PolarHBondContact O-N 3.1Å; I555-F559 VanDerWaalsContact O-N 3.1Å
556V78.2Confident71.3Confident102 Ų102112.5 Ų112.562%0.61860%0.597SS**Hα-helixtrans-60.5-42.5179.6168.60000110.8G552 T553 F559 S560G552-V556 WeakPolarHBondContact O-CB 3.33Å; G552-V556 VanDerWaalsContact O-CG2 3.29Å; G552-V556 WeakPolarHBondContact O-CG2 3.33Å; G552-V556 PolarHBondContact O-N 3.17Å; T553-V556 PolarHBondContact O-N 3.22Å; V556-F559 PolarHBondContact O-N 3.35Å; V556-S560 WeakPolarHBondContact O-CB 3.48Å; V556-S560 PolarHBondContact O-N 3.02Å
557Q70.5Confident68.7Low131 Ų131119.2 Ų119.261%0.61262%0.621SS**Hα-helixtrans-67-41.8178.9-163.4163.13.200111.8T553 I555 F559 S560 D561T553-Q557 VanDerWaalsContact O-CB 3.25Å; T553-Q557 WeakPolarHBondContact O-CB 3.35Å; T553-Q557 PolarHBondContact O-N 3Å; I555-Q557 VanDerWaalsContact C-N 3.3Å; I555-Q557 PolarHBondContact O-N 2.99Å; Q557-F559 VanDerWaalsContact C-N 3.25Å; Q557-F559 PolarHBondContact O-N 3.18Å; Q557-S560 PolarHBondContact O-N 3.35Å; Q557-D561 PolarHBondContact O-N 2.6Å
558A71.6Confident66Low70 Ų70119.9 Ų119.958%0.57963%0.633SS**Hα-helixtrans-65-22.2175.700000114.5V554 I555V554-A558 VanDerWaalsContact O-CB 3.27Å; V554-A558 WeakPolarHBondContact O-CB 3.48Å; V554-A558 PolarHBondContact O-N 3.16Å; I555-A558 PolarHBondContact O-N 3.43Å
559F64.7Low63Low145 Ų145117.2 Ų117.264%0.63664%0.635SS**Hα-helixtrans-95.6-26.9171.8-75.3-67.5000113.6I555 V556 Q557 D561 S562I555-F559 HydrophobicContact CG2-CD2 3.89Å; I555-F559 HydrophobicContact CG2-CE2 3.99Å; I555-F559 VanDerWaalsContact O-CD2 3.28Å; I555-F559 WeakPolarHBondContact O-CD2 3.3Å; I555-F559 PolarHBondContact O-N 3.1Å; I555-F559 VanDerWaalsContact O-N 3.1Å; V556-F559 PolarHBondContact O-N 3.35Å; Q557-F559 VanDerWaalsContact C-N 3.25Å; Q557-F559 PolarHBondContact O-N 3.18Å; F559-D561 VanDerWaalsContact C-N 3.34Å; F559-D561 PolarHBondContact O-N 3.46Å; F559-S562 PolarHBondContact O-N 3.38Å; F559-S562 PolarHBondContact O-OG 3.06Å
560S56.5Low60.9Low76 Ų76117.5 Ų117.553%0.53164%0.644SS.*Hα-helixtrans-60.9-41.5177.9-165.60000112.3V556 Q557 S562V556-S560 WeakPolarHBondContact O-CB 3.48Å; V556-S560 PolarHBondContact O-N 3.02Å; Q557-S560 PolarHBondContact O-N 3.35Å; S560-S562 PolarHBondContact O-N 3.47Å
561D54.9Low58.9Low143 Ų143118.4 Ų118.477%0.76566%0.657SS**THydrogen-bonded Turntrans-68.22.3-179.7-68.7-7.9000113.8Q557 F559Q557-D561 PolarHBondContact O-N 2.6Å; F559-D561 VanDerWaalsContact C-N 3.34Å; F559-D561 PolarHBondContact O-N 3.46Å
562S52.1Low56.1Low86 Ų86115.1 Ų115.160%0.60166%0.664SS**THydrogen-bonded Turntrans-106.6-0.3-175730000115.8F559 S560F559-S562 PolarHBondContact O-N 3.38Å; F559-S562 PolarHBondContact O-OG 3.06Å; S560-S562 PolarHBondContact O-N 3.47Å
563N47.1Very low53.4Low139 Ų139122.5 Ų122.574%0.74369%0.689SS**  trans-129.67.8-164.8-153.770.5000116.7E565N563-E565 PolarHBondContact O-N 3.43Å
564D48.7Very low50.7Low164 Ų164125.5 Ų125.588%0.87770%0.697SS**  trans-95.169.8178.8-89.2-19.5000113
565E42.2Very low47.9Very low149 Ų149129.4 Ų129.470%0.69671%0.709SS**  trans-144.6132.7161.9-104.4-157.6-163.500112.8N563N563-E565 PolarHBondContact O-N 3.43Å
566R37.2Very low45.5Very low207 Ų207129.4 Ų129.478%0.78172%0.723SS**  trans9099.5163.5-56.6153.1-157.2-153.63.4118.9
567E37Very low43Very low187 Ų187133 Ų13387%0.87473%0.733SS**  29.7146.6114.2-59.4-175.815000120.4
568S32.7Very low41.1Very low103 Ų103135 Ų13572%0.7274%0.742SS**  cis-167.5155.9-11.656.30000108.5
569S29.5Very low39Very low109 Ų109140.9 Ų140.976%0.76276%0.755SS**  158.516694.552.10000111
570P48.7Very low37.2Very low118 Ų118140.7 Ų140.777%0.76677%0.765SS**  trans-111.9-161.9-16846.1-36.9000112.6
571P46.5Very low35.8Very low128 Ų128140.8 Ų140.883%0.83178%0.779SS**  cis-137175.7-1.943-25.6000117.1
572G26.8Very low34.5Very low78 Ų78143.7 Ų143.780%0.80479%0.785SS**  trans-169.1125.4167.500000114.9
573K29.3Very low33.1Very low182 Ų182146.6 Ų146.679%0.79180%0.799SS**  trans-67169.7176.2-72.6146.6147.8-93.70112.5
574E27.5Very low32Very low139 Ų139148.5 Ų148.565%0.6580%0.803SS**  cis-157-179.520.6-142.9126.8-122.200113
575E25.8Very low31.6Very low174 Ų174146 Ų14681%0.81380%0.796SS**  trans-29140.1177.2-63.6162.4-168.300118.4
576A27.8Very low30.7Very low88 Ų88144.5 Ų144.573%0.72780%0.802SS**  cis88.5110.938.600000116.5
577Q27.1Very low30.1Very low178 Ų178144 Ų14483%0.83281%0.806SS**  trans-175.3146.6140.1-110.2171.573.300114.9
578E28.8Very low29.5Very low173 Ų173141.6 Ų141.681%0.80880%0.804SS**  trans-84.1162.7167.4-58.5172.894.400112.3
579K27.9Very low29.1Very low192 Ų192144.1 Ų144.184%0.83580%0.802SS**  -165.3151.6123-106.2147.5-167.4158.80114.3
580T27.8Very low28.9Very low141 Ų141145 Ų14587%0.86579%0.794SS**  trans-100.6159.117748.50000111.7
581G25.8Very low27.8Very low79 Ų79144.9 Ų144.981%0.81479%0.787SS**  trans-164.7131173.200000112.3
582K28.6Very low26.8Very low204 Ų204143 Ų14389%0.88778%0.777SS**  trans-112.1136175.1-68.9178.6175.6-179.40110.1
583T22.7Very low26.7Very low147 Ų147144.8 Ų144.890%0.90278%0.777SS**  trans-160125.2153.32.10000112.9
584E24.1Very low26.7Very low179 Ų179145.7 Ų145.784%0.83678%0.781SS**  trans-105.1-178147.1-52.9-174142.700107.4
585P41Very low26.9Very low110 Ų110146.3 Ų146.371%0.71479%0.787SS**  cis-130.6-168.1-10.440.1-23.2000112.4
586S21.5Very low27.1Very low118 Ų118143.6 Ų143.683%0.82578%0.784SS**  159.1172.5122.258.80000114.8
587F25.1Very low27.3Very low198 Ų198149.3 Ų149.387%0.86879%0.793SS**  trans-121.4147-164.3-98-105.2000114
588T24.9Very low27.9Very low135 Ų135150.5 Ų150.583%0.82880%0.795SS**  trans-156.7129.8150.828.70000107
589K24.1Very low28.9Very low157 Ų157145.1 Ų145.168%0.68379%0.787SS**  cis60.9132.738.2-70.8-165.1163.8-134.10113.6
590E25.5Very low30.1Very low128 Ų128144.4 Ų144.460%0.59878%0.784SS**  cis-163.5-178.10.5-119.3169.4-152.900108.4
591N24.7Very low31.9Very low115 Ų115138.6 Ų138.662%0.61575%0.748SS**  cis-158.5141.213.3-132.3-25.6000115.4
592S25.4Very low34.1Very low89 Ų89142 Ų14262%0.62274%0.743SS**  trans46121.8132.870.40000125.1
593S26.4Very low36.5Very low115 Ų115133.4 Ų133.480%0.80471%0.707SS**  -172.9147.2114.260.10000109.4
594K28.8Very low39.3Very low201 Ų201128.4 Ų128.487%0.87468%0.677SS**  cis-121.7161.59.5-61.3167.2-178.5170.90111
595I30.2Very low42.2Very low151 Ų151122.3 Ų122.377%0.77465%0.648SS**  trans-111.7124.3-177.9-65.9166.5000110.6
596P30.4Very low44.1Very low117 Ų117117.1 Ų117.176%0.7661%0.614SS**PPolyproline II helixtrans-73.5149.6159.7-8.125.5000110.7
597K33Very low46.9Very low208 Ų208113.4 Ų113.490%0.90459%0.587SS**PPolyproline II helixtrans-69.5149.6-174.1-65.5175.1-178.4174.20112.1
598K38.8Very low49Very low203 Ų203108.2 Ų108.288%0.88357%0.568SS**SBendtrans-55.7140179.1-77.3-177.5171.7-178.30113.1
599G49.7Very low51.2Low61 Ų61106.7 Ų106.763%0.62956%0.558SS**SBendtrans89.824.8136.900000118.5
600F53.7Low53.6Low176 Ų176100.8 Ų100.877%0.77254%0.536SS*.  trans-130.6128.7168.8-161.3-102.8000110.8E602F600-E602 HydrophobicContact CD1-CB 4.42Å; F600-E602 HydrophobicContact CE1-CB 4.25Å
601V66.5Low56.1Low20 Ų2095.1 Ų95.112%0.12151%0.509CS..  trans-103.5118.3165.4-177.70000106.4V603 A642 Y646 T649V601-V603 HydrophobicContact CB-CG2 4.39Å; V601-V603 HydrophobicContact CG1-CG2 3.78Å; V601-V603 PolarHBondContact O-N 3.47Å; V601-A642 HydrophobicContact CB-CB 4.2Å; V601-A642 HydrophobicContact CG2-CB 4.36Å; V601-A642 WeakPolarHBondContact CG2-O 3.34Å; V601-Y646 HydrophobicContact CG2-CD2 3.82Å; V601-T649 HydrophobicContact CB-CG2 4.42Å; V601-T649 HydrophobicContact CG1-CG2 3.73Å; V601-T649 HydrophobicContact CG2-CG2 3.93Å
602E70.4Confident58.4Low151 Ų15193.9 Ų93.971%0.70650%0.501SS*.  trans-77.4106174.8-171.7164-158.400108.8F600F600-E602 HydrophobicContact CD1-CB 4.42Å; F600-E602 HydrophobicContact CE1-CB 4.25Å
603V79.2Confident60.7Low22 Ų2292.5 Ų92.513%0.13349%0.492CS..  trans-112.8113176-167.10000108.1V601 F641 F656 F658V601-V603 HydrophobicContact CB-CG2 4.39Å; V601-V603 HydrophobicContact CG1-CG2 3.78Å; V601-V603 PolarHBondContact O-N 3.47Å; V603-F641 HydrophobicContact CG1-CD1 4.47Å; V603-F641 HydrophobicContact CG1-CE1 4.17Å; V603-F641 HydrophobicContact CG2-CD1 4.5Å; V603-F656 WeakPolarHBondContact CA-O 3.29Å; V603-F656 HydrophobicContact CG1-CB 4.46Å; V603-F656 HydrophobicContact CG2-CB 4.43Å; V603-F658 HydrophobicContact CG1-CB 4.46Å; V603-F658 HydrophobicContact CG1-CD1 3.98Å
604T83.1Confident62.9Low43 Ų4388.5 Ų88.526%0.26446%0.461SS..EExtended strand (participates in β ladder)trans-86.7147.6-174.5550000112.4N614 F656 S657 F658T604-N614 PolarHBondContact OG1-ND2 3.27Å; T604-F656 PolarHBondContact N-O 3.36Å; T604-F656 VanDerWaalsContact N-O 3.13Å; T604-S657 CarbonylContact O-C 3.54Å; T604-S657 WeakPolarHBondContact O-CA 3.49Å; T604-S657 WeakPolarHBondContact O-CB 3.3Å; T604-S657 PolarHBondContact OG1-OG 3.27Å; T604-F658 WeakPolarHBondContact O-CD1 3.24Å; T604-F658 PolarHBondContact O-N 3.19Å
605E83.6Confident65.2Low50 Ų5078.9 Ų78.923%0.23442%0.42CS..EExtended strand (participates in β ladder)trans-75.9125.7168.2-168.2159.9139.700108.2T607 T610 K634 F658 K663E605-T607 HydrophobicContact CB-CG2 4.45Å; E605-T607 HydrophobicContact CG-CG2 4.27Å; E605-T607 PolarHBondContact O-N 3.34Å; E605-T610 PolarHBondContact O-OG1 3.32Å; E605-T610 VanDerWaalsContact O-OG1 3.11Å; E605-K634 IonicContact OE2-NZ 3.35Å; E605-K634 PolarHBondContact OE2-NZ 2.81Å; E605-F658 HydrophobicContact CB-CE1 3.96Å; E605-F658 HydrophobicContact CB-CE2 3.77Å; E605-F658 HydrophobicContact CB-CZ 3.43Å; E605-F658 VanDerWaalsContact CB-CZ 3.43Å; E605-F658 HydrophobicContact CG-CD2 4.23Å; E605-F658 HydrophobicContact CG-CE2 3.47Å; E605-F658 VanDerWaalsContact CG-CE2 3.47Å; E605-F658 HydrophobicContact CG-CZ 3.69Å; E605-F658 WeakPolarHBondContact OE2-CE2 3.34Å; E605-F658 WeakPolarHBondContact OE2-CZ 3.43Å; E605-K663 IonicContact OE1-NZ 3.13Å; E605-K663 PolarHBondContact OE1-NZ 2.93Å
606L81.9Confident67Low1 Ų175.1 Ų75.11%0.00540%0.403CS..  trans-80.183.7-178-165.670.2000110.4T610 Y611 N614 V626 F658 L659 L781L606-T610 WeakPolarHBondContact CA-OG1 3.14Å; L606-Y611 HydrophobicContact CD1-CD2 4.28Å; L606-Y611 HydrophobicContact CD2-CD2 4.05Å; L606-Y611 HydrophobicContact CG-CD2 4.15Å; L606-N614 HydrophobicContact CD1-CB 4.45Å; L606-V626 HydrophobicContact CD2-CG1 4.16Å; L606-V626 HydrophobicContact CD2-CG2 4.2Å; L606-F658 PolarHBondContact N-O 3.24Å; L606-L659 HydrophobicContact CB-CD1 4.18Å; L606-L659 HydrophobicContact CD2-CD1 4.34Å; L606-L781 HydrophobicContact CD2-CD1 4.17Å; L606-L781 HydrophobicContact CG-CD1 4.19Å
607T79.4Confident68.8Low40 Ų4078.1 Ų78.125%0.24540%0.399CS..  trans-94.3159.3170.684.20000111.3E605 V609 T610 Y611E605-T607 HydrophobicContact CB-CG2 4.45Å; E605-T607 HydrophobicContact CG-CG2 4.27Å; E605-T607 PolarHBondContact O-N 3.34Å; T607-V609 VanDerWaalsContact C-N 3.34Å; T607-V609 PolarHBondContact O-N 3.43Å; T607-V609 VanDerWaalsContact O-N 3.09Å; T607-T610 PolarHBondContact N-OG1 3.45Å; T607-T610 CarbonylContact O-C 3.59Å; T607-T610 WeakPolarHBondContact O-CA 3.32Å; T607-T610 PolarHBondContact O-N 2.87Å; T607-T610 PolarHBondContact O-OG1 2.8Å; T607-Y611 WeakPolarHBondContact O-CB 3.28Å; T607-Y611 PolarHBondContact O-N 3.29Å
608D69.6Low70.8Confident89 Ų8969 Ų6948%0.47636%0.36SS..Hα-helixtrans-14.9-63.7161.469.3-33.6000116.7Y611 I612D608-Y611 WeakPolarHBondContact O-CB 2.98Å; D608-Y611 PolarHBondContact O-N 3.37Å; D608-I612 PolarHBondContact O-N 3.44Å
609V70.4Confident72.5Confident103 Ų10368.2 Ų68.262%0.62435%0.352SS*.Hα-helixtrans-67-45.7-176.9178.80000110.9T607 Y611T607-V609 VanDerWaalsContact C-N 3.34Å; T607-V609 PolarHBondContact O-N 3.43Å; T607-V609 VanDerWaalsContact O-N 3.09Å; V609-Y611 VanDerWaalsContact C-N 3.31Å
610T75.1Confident73.6Confident33 Ų3369.8 Ų69.820%0.20235%0.351CS..Hα-helixtrans-74.5-22.2-179.766.10000112.6E605 L606 T607 S613 N614E605-T610 PolarHBondContact O-OG1 3.32Å; E605-T610 VanDerWaalsContact O-OG1 3.11Å; L606-T610 WeakPolarHBondContact CA-OG1 3.14Å; T607-T610 PolarHBondContact N-OG1 3.45Å; T607-T610 CarbonylContact O-C 3.59Å; T607-T610 WeakPolarHBondContact O-CA 3.32Å; T607-T610 PolarHBondContact O-N 2.87Å; T607-T610 PolarHBondContact O-OG1 2.8Å; T610-S613 WeakPolarHBondContact CA-OG 3.36Å; T610-S613 PolarHBondContact O-N 3.22Å; T610-S613 PolarHBondContact O-OG 3.07Å; T610-S613 VanDerWaalsContact O-OG 3.13Å; T610-N614 WeakPolarHBondContact O-CA 3.46Å; T610-N614 WeakPolarHBondContact O-CB 3.34Å; T610-N614 VanDerWaalsContact O-CG 3.3Å; T610-N614 PolarHBondContact O-N 2.7Å
611Y78.5Confident74.4Confident9 Ų964.2 Ų64.24%0.03534%0.344CS..Hα-helixtrans-66.1-42.2177.2-178-118.4000111.2L606 T607 D608 V609 L615 V616 W667 P779 L781L606-Y611 HydrophobicContact CD1-CD2 4.28Å; L606-Y611 HydrophobicContact CD2-CD2 4.05Å; L606-Y611 HydrophobicContact CG-CD2 4.15Å; T607-Y611 WeakPolarHBondContact O-CB 3.28Å; T607-Y611 PolarHBondContact O-N 3.29Å; D608-Y611 WeakPolarHBondContact O-CB 2.98Å; D608-Y611 PolarHBondContact O-N 3.37Å; V609-Y611 VanDerWaalsContact C-N 3.31Å; Y611-L615 HydrophobicContact CD2-CB 4.23Å; Y611-L615 HydrophobicContact CD2-CD2 4.16Å; Y611-L615 HydrophobicContact CE2-CB 4.28Å; Y611-L615 HydrophobicContact CE2-CD2 3.44Å; Y611-L615 VanDerWaalsContact CE2-CD2 3.44Å; Y611-L615 HydrophobicContact CE2-CG 4.4Å; Y611-L615 WeakPolarHBondContact O-CA 3.49Å; Y611-L615 WeakPolarHBondContact O-CB 3.3Å; Y611-L615 PolarHBondContact O-N 3.4Å; Y611-V616 HydrophobicContact CD1-CG2 4.09Å; Y611-V616 HydrophobicContact CE1-CG2 3.96Å; Y611-V616 PolarHBondContact O-N 2.93Å; Y611-V616 VanDerWaalsContact O-N 3.1Å; Y611-W667 AromaticContact CE2-CE2 3.95Å; Y611-W667 AromaticContact CE2-CZ2 3.63Å; Y611-W667 HydrophobicContact CE2-CZ2 3.63Å; Y611-W667 AromaticContact CE2-NE1 3.8Å; Y611-W667 AromaticContact CZ-NE1 3.49Å; Y611-W667 PolarHBondContact OH-NE1 3.36Å; Y611-P779 WeakPolarHBondContact CE1-O 3.38Å; Y611-P779 VanDerWaalsContact CZ-O 3.22Å; Y611-P779 PolarHBondContact OH-O 3.22Å; Y611-L781 HydrophobicContact CD1-CB 3.74Å; Y611-L781 HydrophobicContact CD1-CD1 4.37Å; Y611-L781 HydrophobicContact CD2-CB 4.35Å; Y611-L781 HydrophobicContact CD2-CD1 3.45Å; Y611-L781 VanDerWaalsContact CD2-CD1 3.45Å; Y611-L781 HydrophobicContact CE1-CB 3.97Å; Y611-L781 HydrophobicContact CE2-CD1 3.75Å; Y611-L781 HydrophobicContact CG-CB 3.92Å; Y611-L781 HydrophobicContact CG-CD1 3.77Å; Y611-L781 HydrophobicContact CG-CG 4.46Å
612I72.1Confident75.2Confident89 Ų8965.1 Ų65.146%0.45635%0.346SS..Iπ-helixtrans-65.1-41.1176.8-63.2173.2000110.8D608 V616 R617D608-I612 PolarHBondContact O-N 3.44Å; I612-V616 PolarHBondContact O-N 3Å; I612-R617 HydrophobicContact CG2-CG 3.98Å; I612-R617 VanDerWaalsContact O-CB 3.31Å; I612-R617 WeakPolarHBondContact O-CB 3.29Å; I612-R617 WeakPolarHBondContact O-CG 3.35Å; I612-R617 PolarHBondContact O-N 3.23Å
613S73.6Confident76Confident60 Ų6058.7 Ų58.742%0.4232%0.316SS..Iπ-helixtrans-78.4-43.3179.261.20000113.8T610 L618T610-S613 WeakPolarHBondContact CA-OG 3.36Å; T610-S613 PolarHBondContact O-N 3.22Å; T610-S613 PolarHBondContact O-OG 3.07Å; T610-S613 VanDerWaalsContact O-OG 3.13Å; S613-L618 WeakPolarHBondContact O-CD1 3.46Å
614N73.5Confident76.5Confident31 Ų3157.6 Ų57.617%0.16631%0.31CS..Iπ-helixtrans-96.70.8-169.3-54.81000112.2T604 L606 T610 N624T604-N614 PolarHBondContact OG1-ND2 3.27Å; L606-N614 HydrophobicContact CD1-CB 4.45Å; T610-N614 WeakPolarHBondContact O-CA 3.46Å; T610-N614 WeakPolarHBondContact O-CB 3.34Å; T610-N614 VanDerWaalsContact O-CG 3.3Å; T610-N614 PolarHBondContact O-N 2.7Å; N614-N624 WeakPolarHBondContact O-CB 3.04Å; N614-N624 PolarHBondContact O-ND2 3.21Å
615L75.8Confident76.9Confident0 Ų055.6 Ų55.60%030%0.297CS..Iπ-helixtrans-139.2-61.1167.8-173.855.7000113.6Y611 R617 L618 L701 G703 W778Y611-L615 HydrophobicContact CD2-CB 4.23Å; Y611-L615 HydrophobicContact CD2-CD2 4.16Å; Y611-L615 HydrophobicContact CE2-CB 4.28Å; Y611-L615 HydrophobicContact CE2-CD2 3.44Å; Y611-L615 VanDerWaalsContact CE2-CD2 3.44Å; Y611-L615 HydrophobicContact CE2-CG 4.4Å; Y611-L615 WeakPolarHBondContact O-CA 3.49Å; Y611-L615 WeakPolarHBondContact O-CB 3.3Å; Y611-L615 PolarHBondContact O-N 3.4Å; L615-R617 PolarHBondContact O-N 3.48Å; L615-L618 WeakPolarHBondContact O-CB 3.26Å; L615-L618 PolarHBondContact O-N 2.99Å; L615-L701 HydrophobicContact CD1-CB 3.49Å; L615-L701 VanDerWaalsContact CD1-CB 3.49Å; L615-L701 HydrophobicContact CD1-CD1 4.47Å; L615-L701 HydrophobicContact CD2-CB 4.13Å; L615-L701 HydrophobicContact CD2-CD1 3.67Å; L615-L701 HydrophobicContact CG-CB 4.46Å; L615-G703 VanDerWaalsContact O-CA 3.29Å; L615-G703 WeakPolarHBondContact O-CA 3.33Å; L615-W778 HydrophobicContact CD1-CD2 4.46Å; L615-W778 HydrophobicContact CD1-CH2 4.25Å; L615-W778 HydrophobicContact CD1-CZ2 3.95Å; L615-W778 HydrophobicContact CD2-CD2 3.61Å; L615-W778 HydrophobicContact CD2-CE3 3.37Å; L615-W778 HydrophobicContact CD2-CG 4.31Å; L615-W778 HydrophobicContact CD2-CH2 4.12Å; L615-W778 HydrophobicContact CD2-CZ2 4.3Å; L615-W778 HydrophobicContact CD2-CZ3 3.65Å; L615-W778 HydrophobicContact CG-CD2 4.01Å; L615-W778 HydrophobicContact CG-CE3 4.26Å; L615-W778 HydrophobicContact CG-CG 4.48Å; L615-W778 HydrophobicContact CG-CZ2 4.4Å
616V68.6Low77.3Confident72 Ų7253.2 Ų53.244%0.43629%0.286SS..Iπ-helixtrans-66.2-38.8-166.9-174.40000112.3Y611 I612Y611-V616 HydrophobicContact CD1-CG2 4.09Å; Y611-V616 HydrophobicContact CE1-CG2 3.96Å; Y611-V616 PolarHBondContact O-N 2.93Å; Y611-V616 VanDerWaalsContact O-N 3.1Å; I612-V616 PolarHBondContact O-N 3Å
617R67.8Low77.7Confident179 Ų17953.1 Ų53.168%0.67529%0.286SS*.THydrogen-bonded Turntrans-102.419.3-179.2-58179.671.7163.54.4113.5I612 L615I612-R617 HydrophobicContact CG2-CG 3.98Å; I612-R617 VanDerWaalsContact O-CB 3.31Å; I612-R617 WeakPolarHBondContact O-CB 3.29Å; I612-R617 WeakPolarHBondContact O-CG 3.35Å; I612-R617 PolarHBondContact O-N 3.23Å; L615-R617 PolarHBondContact O-N 3.48Å
618L76.2Confident78.2Confident16 Ų1651.2 Ų51.28%0.08427%0.274CS..PPolyproline II helixtrans-67.1135.3-177.9-142.469.2000111.2S613 L615 H622 N624S613-L618 WeakPolarHBondContact O-CD1 3.46Å; L615-L618 WeakPolarHBondContact O-CB 3.26Å; L615-L618 PolarHBondContact O-N 2.99Å; L618-H622 HydrophobicContact CD2-CB 3.77Å; L618-H622 HydrophobicContact CG-CB 3.75Å; L618-N624 HydrophobicContact CD2-CB 4.44Å
619R73.3Confident79.1Confident188 Ų18847.1 Ų47.171%0.70925%0.252SS*.PPolyproline II helixtrans-61.4150.8-178-69.6179.2-174.9179.30.9111.7G621 H622R619-G621 PolarHBondContact O-N 2.84Å; R619-H622 VanDerWaalsContact CB-CD2 3.48Å; R619-H622 WeakPolarHBondContact CB-CD2 3.38Å; R619-H622 WeakPolarHBondContact O-CB 3.41Å; R619-H622 PolarHBondContact O-N 3.35Å; R619-H622 VanDerWaalsContact O-N 3.07Å
620P73.9Confident79.7Confident93 Ų9342.8 Ų42.860%0.60423%0.227SC*.THydrogen-bonded Turntrans-51.9132.7175.4-17.524.1000111.5H622P620-H622 VanDerWaalsContact C-N 3.33Å; P620-H622 PolarHBondContact O-N 2.64Å
621G70.7Confident79.9Confident60 Ų6046 Ų4662%0.61924%0.243SC*.THydrogen-bonded Turntrans86.6-11.5-179.300000115.7R619R619-G621 PolarHBondContact O-N 2.84Å
622H83.1Confident79.8Confident38 Ų3850.7 Ų50.718%0.17628%0.277CS..  trans-85159.9170.4-65.2-110.9000111.8L618 R619 P620 S652 C653 H655 N702L618-H622 HydrophobicContact CD2-CB 3.77Å; L618-H622 HydrophobicContact CG-CB 3.75Å; R619-H622 VanDerWaalsContact CB-CD2 3.48Å; R619-H622 WeakPolarHBondContact CB-CD2 3.38Å; R619-H622 WeakPolarHBondContact O-CB 3.41Å; R619-H622 PolarHBondContact O-N 3.35Å; R619-H622 VanDerWaalsContact O-N 3.07Å; P620-H622 VanDerWaalsContact C-N 3.33Å; P620-H622 PolarHBondContact O-N 2.64Å; H622-S652 PolarHBondContact CE1-O 2.82Å; H622-S652 PolarHBondContact ND1-O 3.41Å; H622-C653 CarbonylContact C-O 3.56Å; H622-C653 WeakPolarHBondContact CA-O 3.45Å; H622-C653 WeakPolarHBondContact CB-O 3.5Å; H622-H655 AromaticContact ND1-NE2 3.43Å; H622-H655 PolarHBondContact ND1-NE2 2.97Å; H622-N702 PolarHBondContact O-ND2 3.42Å
623M86.4Confident80.1Confident16 Ų1647.3 Ų47.38%0.07926%0.26CS..EExtended strand (participates in β ladder)trans-151.7144.9-178.3-177.6160.656.400110C653 L654 H655 A700 L701 L765M623-C653 PolarHBondContact N-O 3.19Å; M623-L654 HydrophobicContact CB-CD2 4.21Å; M623-L654 HydrophobicContact CE-CD2 3.85Å; M623-L654 WeakPolarHBondContact O-CA 3.26Å; M623-H655 PolarHBondContact O-N 2.91Å; M623-A700 HydrophobicContact CG-CB 4.27Å; M623-A700 HydrophobicContact SD-CB 3.93Å; M623-L701 WeakPolarHBondContact CG-O 3.38Å; M623-L765 HydrophobicContact CE-CD1 3.75Å; M623-L765 HydrophobicContact CE-CD2 3.8Å; M623-L765 HydrophobicContact CE-CG 3.61Å; M623-L765 HydrophobicContact SD-CD1 4.05Å
624N90.3Very high80.3Confident0 Ų047 Ų470%025%0.252CS..EExtended strand (participates in β ladder)trans-111.5124.1179.6-175.13.4000110.3N614 L618 H655 S657 L701N614-N624 WeakPolarHBondContact O-CB 3.04Å; N614-N624 PolarHBondContact O-ND2 3.21Å; L618-N624 HydrophobicContact CD2-CB 4.44Å; N624-H655 WeakPolarHBondContact CA-O 3.15Å; N624-H655 HydrophobicContact CB-CB 4.22Å; N624-H655 PolarHBondContact OD1-O 3.43Å; N624-S657 VanDerWaalsContact CG-OG 3.25Å; N624-S657 PolarHBondContact ND2-OG 3.15Å; N624-S657 PolarHBondContact OD1-OG 2.87Å; N624-L701 PolarHBondContact N-O 3.45Å; N624-L701 PolarHBondContact O-N 3Å
625V90.9Very high80.4Confident0 Ų051.3 Ų51.30%028%0.279CS..EExtended strand (participates in β ladder)trans-102113.4-179.3-176.60000108.9F641 L654 H655 F656 S657 V698 L699 A700 M762 L765V625-F641 HydrophobicContact CG1-CE2 4.42Å; V625-F641 HydrophobicContact CG1-CZ 4.2Å; V625-L654 HydrophobicContact CG2-CD2 4.39Å; V625-H655 PolarHBondContact N-O 3.43Å; V625-F656 HydrophobicContact CB-CD1 3.86Å; V625-F656 HydrophobicContact CB-CE1 3.92Å; V625-F656 HydrophobicContact CG2-CE1 4.16Å; V625-F656 WeakPolarHBondContact O-CA 3.37Å; V625-S657 PolarHBondContact O-N 2.89Å; V625-V698 HydrophobicContact CG1-CG1 3.44Å; V625-V698 VanDerWaalsContact CG1-CG1 3.44Å; V625-L699 CarbonylContact C-O 3.39Å; V625-L699 VanDerWaalsContact CA-O 3.31Å; V625-L699 WeakPolarHBondContact CA-O 3.35Å; V625-A700 HydrophobicContact CG2-CB 4.05Å; V625-M762 HydrophobicContact CG1-SD 3.99Å; V625-M762 HydrophobicContact CG2-CE 4.16Å; V625-M762 HydrophobicContact CG2-SD 4.26Å; V625-L765 HydrophobicContact CG2-CD2 4.13Å
626V91.7Very high80.5Confident0 Ų053.6 Ų53.60%030%0.295CS..EExtended strand (participates in β ladder)trans-113.1119.1-167.1-169.80000110.3L606 S657 L659 V698 L699 L701L606-V626 HydrophobicContact CD2-CG1 4.16Å; L606-V626 HydrophobicContact CD2-CG2 4.2Å; V626-S657 WeakPolarHBondContact CA-O 3.35Å; V626-L659 HydrophobicContact CG1-CB 3.88Å; V626-V698 WeakPolarHBondContact O-CA 3.35Å; V626-L699 PolarHBondContact N-O 2.81Å; V626-L699 PolarHBondContact O-N 2.85Å; V626-L701 HydrophobicContact CB-CD1 4.48Å; V626-L701 HydrophobicContact CG2-CD1 3.61Å; V626-L701 HydrophobicContact CG2-CG 4.09Å
627L91Very high81.1Confident0 Ų050.2 Ų50.20%027%0.274CS..EExtended strand (participates in β ladder)trans-86.2131.9173177.970000111.1L629 F641 S657 F658 L659 V698 L755L627-L629 HydrophobicContact CD2-CD1 4.04Å; L627-L629 HydrophobicContact CD2-CD2 3.57Å; L627-L629 HydrophobicContact CD2-CG 3.87Å; L627-L629 HydrophobicContact CG-CD2 3.87Å; L627-L629 HydrophobicContact CG-CG 3.97Å; L627-F641 HydrophobicContact CB-CD1 4.23Å; L627-F641 HydrophobicContact CB-CD2 3.99Å; L627-F641 HydrophobicContact CB-CE1 4.18Å; L627-F641 HydrophobicContact CB-CE2 3.94Å; L627-F641 HydrophobicContact CB-CG 4.14Å; L627-F641 HydrophobicContact CB-CZ 4.03Å; L627-F641 HydrophobicContact CD1-CD2 3.96Å; L627-F641 HydrophobicContact CD1-CE2 4.47Å; L627-F641 HydrophobicContact CD1-CG 4.4Å; L627-F641 HydrophobicContact CD2-CB 3.55Å; L627-F641 HydrophobicContact CD2-CD1 4.11Å; L627-F641 HydrophobicContact CD2-CD2 4.1Å; L627-F641 HydrophobicContact CD2-CG 3.69Å; L627-F641 HydrophobicContact CG-CD2 4.24Å; L627-F641 HydrophobicContact CG-CG 4.31Å; L627-S657 PolarHBondContact N-O 3.44Å; L627-F658 HydrophobicContact CB-CB 4.26Å; L627-F658 CarbonylContact O-C 3.47Å; L627-F658 WeakPolarHBondContact O-CA 3.31Å; L627-F658 WeakPolarHBondContact O-CB 3.36Å; L627-L659 PolarHBondContact O-N 2.97Å; L627-V698 HydrophobicContact CD1-CG2 3.63Å; L627-L755 HydrophobicContact CD1-CD1 4.35Å; L627-L755 HydrophobicContact CD1-CD2 4.03Å
628I90.2Very high81.8Confident0 Ų043.9 Ų43.90%025%0.254CS..EExtended strand (participates in β ladder)trans-91.3123.3177.2-65.2151.2000109.9L661 L668 Y694 G696 Y697 L699I628-L661 HydrophobicContact CG2-CB 4.17Å; I628-L661 HydrophobicContact CG2-CD1 3.95Å; I628-L661 HydrophobicContact CG2-CG 4.45Å; I628-L668 HydrophobicContact CD1-CD1 3.6Å; I628-L668 HydrophobicContact CD1-CD2 3.78Å; I628-L668 HydrophobicContact CD1-CG 4.37Å; I628-L668 HydrophobicContact CG1-CD1 4.4Å; I628-L668 HydrophobicContact CG1-CD2 4.13Å; I628-L668 HydrophobicContact CG2-CD2 3.85Å; I628-Y694 WeakPolarHBondContact CG2-O 3.43Å; I628-G696 PolarHBondContact O-N 3.38Å; I628-Y697 PolarHBondContact N-O 2.95Å; I628-L699 HydrophobicContact CD1-CD1 3.96Å; I628-L699 HydrophobicContact CD1-CG 4.12Å
629L87.7Confident82Confident2 Ų249.6 Ų49.61%0.0128%0.28CS..EExtended strand (participates in β ladder)trans-129.6141.8-173-66.9178.3000112.4L627 K634 L637 L638 F658 L659 L661L627-L629 HydrophobicContact CD2-CD1 4.04Å; L627-L629 HydrophobicContact CD2-CD2 3.57Å; L627-L629 HydrophobicContact CD2-CG 3.87Å; L627-L629 HydrophobicContact CG-CD2 3.87Å; L627-L629 HydrophobicContact CG-CG 3.97Å; L629-K634 HydrophobicContact CD1-CG 4.11Å; L629-L637 HydrophobicContact CD2-CB 3.47Å; L629-L637 VanDerWaalsContact CD2-CB 3.47Å; L629-L637 HydrophobicContact CD2-CD1 3.97Å; L629-L637 HydrophobicContact CD2-CG 4.38Å; L629-L638 HydrophobicContact CD1-CB 4.15Å; L629-L638 HydrophobicContact CD1-CD1 4.21Å; L629-F658 HydrophobicContact CD1-CB 3.8Å; L629-F658 HydrophobicContact CD1-CD2 3.82Å; L629-F658 HydrophobicContact CD1-CG 3.87Å; L629-F658 HydrophobicContact CG-CB 4.38Å; L629-L659 PolarHBondContact N-O 3.19Å; L629-L661 WeakPolarHBondContact O-CB 3.45Å; L629-L661 PolarHBondContact O-N 2.71Å
630S84.3Confident82.4Confident13 Ų1343.7 Ų43.79%0.09126%0.259CS..  trans-9715216244.20000110.4S632 T633 K634 T695S630-S632 PolarHBondContact O-N 2.98Å; S630-S632 VanDerWaalsContact O-N 3.16Å; S630-T633 PolarHBondContact N-OG1 2.93Å; S630-T633 PolarHBondContact O-N 3.48Å; S630-T633 PolarHBondContact O-OG1 3.46Å; S630-T633 VanDerWaalsContact O-OG1 3.09Å; S630-T633 PolarHBondContact OG-OG1 3.47Å; S630-K634 PolarHBondContact O-N 2.67Å; S630-T695 WeakPolarHBondContact CB-OG1 3.39Å; S630-T695 WeakPolarHBondContact OG-CG2 3.29Å; S630-T695 PolarHBondContact OG-OG1 3.19Å
631N77.8Confident82.9Confident100 Ų10039.3 Ų39.354%0.53523%0.231SC..THydrogen-bonded Turntrans-59.3-30.9-176.5-80-62000113.1T633 D662N631-T633 VanDerWaalsContact C-N 3.28Å; N631-T633 PolarHBondContact O-N 3.26Å; N631-D662 VanDerWaalsContact CB-OD2 3.3Å; N631-D662 WeakPolarHBondContact CB-OD2 3.4Å; N631-D662 PolarHBondContact N-OD2 2.73Å; N631-D662 PolarHBondContact ND2-OD2 3.41Å
632S76.9Confident83.5Confident108 Ų10837.4 Ų37.476%0.75521%0.209SC*.THydrogen-bonded Turntrans-69.8-18.9175.859.40000114.4S630S630-S632 PolarHBondContact O-N 2.98Å; S630-S632 VanDerWaalsContact O-N 3.16Å
633T77.7Confident83.4Confident17 Ų1741.6 Ų41.610%0.10423%0.232CC..THydrogen-bonded Turntrans-116.6-10.1-17661.40000114.2S630 N631 T635 S636 L637 T695 I751S630-T633 PolarHBondContact N-OG1 2.93Å; S630-T633 PolarHBondContact O-N 3.48Å; S630-T633 PolarHBondContact O-OG1 3.46Å; S630-T633 VanDerWaalsContact O-OG1 3.09Å; S630-T633 PolarHBondContact OG-OG1 3.47Å; N631-T633 VanDerWaalsContact C-N 3.28Å; N631-T633 PolarHBondContact O-N 3.26Å; T633-T635 PolarHBondContact O-N 2.99Å; T633-S636 PolarHBondContact O-N 3.25Å; T633-S636 VanDerWaalsContact O-N 3.13Å; T633-L637 PolarHBondContact O-N 3.24Å; T633-L637 VanDerWaalsContact O-N 3.08Å; T633-T695 HydrophobicContact CG2-CG2 3.98Å; T633-T695 WeakPolarHBondContact OG1-CG2 3.38Å; T633-I751 HydrophobicContact CG2-CD1 4.18Å; T633-I751 HydrophobicContact CG2-CG1 4.46Å
634K78.4Confident83.2Confident55 Ų5543.6 Ų43.624%0.23924%0.241CC..Hα-helixtrans-43.4-52.7-171.7-170.5169-173.4165.80113.9E605 L629 S630 L638 F658E605-K634 IonicContact OE2-NZ 3.35Å; E605-K634 PolarHBondContact OE2-NZ 2.81Å; L629-K634 HydrophobicContact CD1-CG 4.11Å; S630-K634 PolarHBondContact O-N 2.67Å; K634-L638 WeakPolarHBondContact O-CB 3.25Å; K634-L638 PolarHBondContact O-N 2.88Å; K634-L638 VanDerWaalsContact O-N 3.12Å; K634-F658 HydrophobicContact CD-CE2 4.48Å; K634-F658 VanDerWaalsContact CE-CZ 3.46Å
635T75.7Confident82.8Confident121 Ų12143.6 Ų43.674%0.74224%0.241SC*.Hα-helixtrans-66.8-45.2-17751.40000113.5T633 Q639T633-T635 PolarHBondContact O-N 2.99Å; T635-Q639 WeakPolarHBondContact O-CB 3.33Å; T635-Q639 PolarHBondContact O-N 2.74Å
636S77.6Confident82.3Confident47 Ų4749.4 Ų49.433%0.32926%0.264SS..Hα-helixtrans-76.6-34.6-173.4-172.40000113.2T633 K640T633-S636 PolarHBondContact O-N 3.25Å; T633-S636 VanDerWaalsContact O-N 3.13Å; S636-K640 WeakPolarHBondContact O-CG 3.18Å
637L81.6Confident81.8Confident2 Ų254.5 Ų54.51%0.0130%0.295CS..Hα-helixtrans-80.8-39.4177.3-74.2178.5000112.7L629 T633 Q639 K640 F641 T695 I751 L755L629-L637 HydrophobicContact CD2-CB 3.47Å; L629-L637 VanDerWaalsContact CD2-CB 3.47Å; L629-L637 HydrophobicContact CD2-CD1 3.97Å; L629-L637 HydrophobicContact CD2-CG 4.38Å; T633-L637 PolarHBondContact O-N 3.24Å; T633-L637 VanDerWaalsContact O-N 3.08Å; L637-Q639 VanDerWaalsContact C-N 3.34Å; L637-Q639 PolarHBondContact O-N 2.98Å; L637-K640 PolarHBondContact O-N 2.93Å; L637-K640 VanDerWaalsContact O-N 3.17Å; L637-F641 WeakPolarHBondContact O-CB 3.46Å; L637-F641 PolarHBondContact O-N 3.24Å; L637-T695 HydrophobicContact CD1-CG2 3.51Å; L637-I751 HydrophobicContact CD2-CG2 3.96Å; L637-I751 HydrophobicContact CG-CG2 4.17Å; L637-L755 HydrophobicContact CD2-CD1 4.32Å; L637-L755 HydrophobicContact CD2-CG 4.35Å
638L82.7Confident81.2Confident46 Ų4655.6 Ų55.624%0.24130%0.3CS..Hα-helixtrans-63.3-40.2178.3-167.9156.9000111.3L629 K634 K640 F641 A642 F658L629-L638 HydrophobicContact CD1-CB 4.15Å; L629-L638 HydrophobicContact CD1-CD1 4.21Å; K634-L638 WeakPolarHBondContact O-CB 3.25Å; K634-L638 PolarHBondContact O-N 2.88Å; K634-L638 VanDerWaalsContact O-N 3.12Å; L638-K640 VanDerWaalsContact C-N 3.33Å; L638-K640 PolarHBondContact O-N 3.34Å; L638-F641 PolarHBondContact O-N 2.73Å; L638-A642 WeakPolarHBondContact O-CB 3.29Å; L638-A642 PolarHBondContact O-N 2.67Å; L638-F658 HydrophobicContact CD1-CD1 3.53Å; L638-F658 HydrophobicContact CD1-CE1 3.66Å; L638-F658 HydrophobicContact CD1-CG 4.14Å; L638-F658 HydrophobicContact CD1-CZ 4.36Å
639Q80.3Confident80.2Confident135 Ų13558.3 Ų58.363%0.63132%0.317SS*.Hα-helixtrans-61.1-39.6174.3-171.2-178.215.900112.5T635 L637 L643T635-Q639 WeakPolarHBondContact O-CB 3.33Å; T635-Q639 PolarHBondContact O-N 2.74Å; L637-Q639 VanDerWaalsContact C-N 3.34Å; L637-Q639 PolarHBondContact O-N 2.98Å; Q639-L643 WeakPolarHBondContact O-CG 3.07Å; Q639-L643 PolarHBondContact O-N 2.96Å
640K81.6Confident79Confident65 Ų6561.9 Ų61.928%0.28336%0.355SS..Hα-helixtrans-69.3-44.7176.6-76.9-177.6170.8-167.70112.5S636 L637 L638 L643 E644 I751 K752 L755S636-K640 WeakPolarHBondContact O-CG 3.18Å; L637-K640 PolarHBondContact O-N 2.93Å; L637-K640 VanDerWaalsContact O-N 3.17Å; L638-K640 VanDerWaalsContact C-N 3.33Å; L638-K640 PolarHBondContact O-N 3.34Å; K640-L643 WeakPolarHBondContact O-CB 3.22Å; K640-L643 PolarHBondContact O-N 3.16Å; K640-L643 VanDerWaalsContact O-N 3.11Å; K640-E644 PolarHBondContact O-N 3.23Å; K640-I751 PolarHBondContact NZ-O 2.92Å; K640-K752 PolarHBondContact NZ-O 3.28Å; K640-L755 HydrophobicContact CB-CD1 4.04Å
641F84.5Confident78.3Confident0 Ų063.2 Ų63.20%036%0.364CS..Hα-helixtrans-59.7-46.4177.2178.7-103000111.2V603 V625 L627 L637 L638 L643 E644 V645 F656 V698 L755 L758V603-F641 HydrophobicContact CG1-CD1 4.47Å; V603-F641 HydrophobicContact CG1-CE1 4.17Å; V603-F641 HydrophobicContact CG2-CD1 4.5Å; V625-F641 HydrophobicContact CG1-CE2 4.42Å; V625-F641 HydrophobicContact CG1-CZ 4.2Å; L627-F641 HydrophobicContact CB-CD1 4.23Å; L627-F641 HydrophobicContact CB-CD2 3.99Å; L627-F641 HydrophobicContact CB-CE1 4.18Å; L627-F641 HydrophobicContact CB-CE2 3.94Å; L627-F641 HydrophobicContact CB-CG 4.14Å; L627-F641 HydrophobicContact CB-CZ 4.03Å; L627-F641 HydrophobicContact CD1-CD2 3.96Å; L627-F641 HydrophobicContact CD1-CE2 4.47Å; L627-F641 HydrophobicContact CD1-CG 4.4Å; L627-F641 HydrophobicContact CD2-CB 3.55Å; L627-F641 HydrophobicContact CD2-CD1 4.11Å; L627-F641 HydrophobicContact CD2-CD2 4.1Å; L627-F641 HydrophobicContact CD2-CG 3.69Å; L627-F641 HydrophobicContact CG-CD2 4.24Å; L627-F641 HydrophobicContact CG-CG 4.31Å; L637-F641 WeakPolarHBondContact O-CB 3.46Å; L637-F641 PolarHBondContact O-N 3.24Å; L638-F641 PolarHBondContact O-N 2.73Å; F641-L643 PolarHBondContact O-N 3.05Å; F641-E644 PolarHBondContact O-N 3.49Å; F641-V645 HydrophobicContact CD1-CG2 4.4Å; F641-V645 HydrophobicContact CD2-CG2 3.94Å; F641-V645 HydrophobicContact CE1-CG2 4.29Å; F641-V645 HydrophobicContact CE2-CG2 3.8Å; F641-V645 HydrophobicContact CG-CG2 4.24Å; F641-V645 HydrophobicContact CZ-CG2 4Å; F641-V645 WeakPolarHBondContact O-CB 3.45Å; F641-V645 VanDerWaalsContact O-CG2 3.23Å; F641-V645 WeakPolarHBondContact O-CG2 3.43Å; F641-V645 PolarHBondContact O-N 3.44Å; F641-F656 HydrophobicContact CZ-CD1 4.45Å; F641-V698 HydrophobicContact CD2-CG2 4.21Å; F641-V698 HydrophobicContact CE2-CG1 4.04Å; F641-V698 HydrophobicContact CE2-CG2 3.93Å; F641-L755 HydrophobicContact CB-CD1 3.91Å; F641-L758 HydrophobicContact CD2-CD2 3.55Å; F641-L758 HydrophobicContact CE2-CD2 3.91Å
642A82.4Confident77.8Confident20 Ų2063.1 Ų63.117%0.16537%0.371CS..Hα-helixtrans-58.4-30.117500000113.3V601 L638 Y646V601-A642 HydrophobicContact CB-CB 4.2Å; V601-A642 HydrophobicContact CG2-CB 4.36Å; V601-A642 WeakPolarHBondContact CG2-O 3.34Å; L638-A642 WeakPolarHBondContact O-CB 3.29Å; L638-A642 PolarHBondContact O-N 2.67Å; A642-Y646 WeakPolarHBondContact O-CB 3.46Å; A642-Y646 PolarHBondContact O-N 2.94Å
643L81.6Confident78Confident126 Ų12660.5 Ų60.566%0.6635%0.352SS*.Hα-helixtrans-77.4-48.1175.1-71.5167.3000112.8Q639 K640 F641 V645 Y646Q639-L643 WeakPolarHBondContact O-CG 3.07Å; Q639-L643 PolarHBondContact O-N 2.96Å; K640-L643 WeakPolarHBondContact O-CB 3.22Å; K640-L643 PolarHBondContact O-N 3.16Å; K640-L643 VanDerWaalsContact O-N 3.11Å; F641-L643 PolarHBondContact O-N 3.05Å; L643-V645 PolarHBondContact O-N 2.93Å; L643-Y646 PolarHBondContact O-N 3.28Å
644E82.1Confident78.3Confident59 Ų5960.3 Ų60.328%0.27635%0.35SS..Hα-helixtrans-61.4-31.8176.3-73.5-74145.300112.4K640 F641 L758 S759K640-E644 PolarHBondContact O-N 3.23Å; F641-E644 PolarHBondContact O-N 3.49Å; E644-L758 HydrophobicContact CB-CB 4.4Å; E644-L758 HydrophobicContact CB-CD2 4.07Å; E644-L758 HydrophobicContact CG-CB 4.41Å; E644-S759 VanDerWaalsContact OE2-CB 3.3Å; E644-S759 WeakPolarHBondContact OE2-CB 3.4Å; E644-S759 PolarHBondContact OE2-N 3.42Å; E644-S759 PolarHBondContact OE2-OG 2.8Å
645V82.7Confident78.7Confident0 Ų060.8 Ų60.80%035%0.353CS..Hα-helixtrans-93.6-15.1-174.3175.50000112.8F641 L643 T647 F648 T649 F656 L758F641-V645 HydrophobicContact CD1-CG2 4.4Å; F641-V645 HydrophobicContact CD2-CG2 3.94Å; F641-V645 HydrophobicContact CE1-CG2 4.29Å; F641-V645 HydrophobicContact CE2-CG2 3.8Å; F641-V645 HydrophobicContact CG-CG2 4.24Å; F641-V645 HydrophobicContact CZ-CG2 4Å; F641-V645 WeakPolarHBondContact O-CB 3.45Å; F641-V645 VanDerWaalsContact O-CG2 3.23Å; F641-V645 WeakPolarHBondContact O-CG2 3.43Å; F641-V645 PolarHBondContact O-N 3.44Å; L643-V645 PolarHBondContact O-N 2.93Å; V645-T647 PolarHBondContact O-N 3.26Å; V645-F648 PolarHBondContact O-N 3.3Å; V645-T649 HydrophobicContact CG1-CG2 4.47Å; V645-F656 HydrophobicContact CG1-CD1 3.43Å; V645-F656 VanDerWaalsContact CG1-CD1 3.43Å; V645-F656 HydrophobicContact CG1-CD2 4.05Å; V645-F656 HydrophobicContact CG1-CE1 3.2Å; V645-F656 HydrophobicContact CG1-CE2 3.86Å; V645-F656 HydrophobicContact CG1-CG 3.86Å; V645-F656 HydrophobicContact CG1-CZ 3.43Å; V645-F656 VanDerWaalsContact CG1-CZ 3.43Å; V645-L758 HydrophobicContact CG2-CD2 4.14Å
646Y80.8Confident79.3Confident121 Ų12155.7 Ų55.748%0.47532%0.321SS..THydrogen-bonded Turntrans-52.2-34.2-176.5-177.7-100.8000114.2V601 A642 L643 F648 T649V601-Y646 HydrophobicContact CG2-CD2 3.82Å; A642-Y646 WeakPolarHBondContact O-CB 3.46Å; A642-Y646 PolarHBondContact O-N 2.94Å; L643-Y646 PolarHBondContact O-N 3.28Å; Y646-F648 VanDerWaalsContact C-N 3.27Å; Y646-F648 PolarHBondContact O-N 3.06Å; Y646-T649 PolarHBondContact O-OG1 2.89Å
647T80Confident79.9Confident107 Ų10753.5 Ų53.566%0.65631%0.305SS*.THydrogen-bonded Turntrans-67.3-24.4177.644.80000113.5V645V645-T647 PolarHBondContact O-N 3.26Å
648F78.5Confident80.3Confident23 Ų2354 Ų5410%0.10131%0.307CS..THydrogen-bonded Turntrans-97-10.5-174.9-55.4-81.8000113.6V645 Y646 G650 S651 L654 F656 M762 E763 L766V645-F648 PolarHBondContact O-N 3.3Å; Y646-F648 VanDerWaalsContact C-N 3.27Å; Y646-F648 PolarHBondContact O-N 3.06Å; F648-G650 PolarHBondContact O-N 3.36Å; F648-G650 VanDerWaalsContact O-N 3.13Å; F648-S651 WeakPolarHBondContact O-CB 3.41Å; F648-S651 PolarHBondContact O-N 3.43Å; F648-S651 PolarHBondContact O-OG 3.03Å; F648-L654 HydrophobicContact CB-CD1 4.14Å; F648-F656 HydrophobicContact CB-CZ 4.32Å; F648-M762 HydrophobicContact CB-CE 4.33Å; F648-M762 HydrophobicContact CD1-CB 4.34Å; F648-M762 HydrophobicContact CD2-CB 4.06Å; F648-M762 HydrophobicContact CD2-CE 4.4Å; F648-M762 HydrophobicContact CD2-CG 4.41Å; F648-M762 HydrophobicContact CE1-CB 3.92Å; F648-M762 HydrophobicContact CE2-CB 3.62Å; F648-M762 HydrophobicContact CE2-CG 4.23Å; F648-M762 HydrophobicContact CG-CB 4.41Å; F648-M762 HydrophobicContact CG-CE 4.21Å; F648-M762 HydrophobicContact CZ-CB 3.54Å; F648-E763 HydrophobicContact CE1-CG 4.11Å; F648-E763 HydrophobicContact CZ-CG 4Å; F648-L766 HydrophobicContact CD1-CD1 3.75Å; F648-L766 HydrophobicContact CE1-CD1 4.1Å
649T69Low80.7Confident57 Ų5751.8 Ų51.835%0.3530%0.296SS..THydrogen-bonded Turntrans-70.7-5.9-177.9720000114.2V601 V645 Y646 S651 F656V601-T649 HydrophobicContact CB-CG2 4.42Å; V601-T649 HydrophobicContact CG1-CG2 3.73Å; V601-T649 HydrophobicContact CG2-CG2 3.93Å; V645-T649 HydrophobicContact CG1-CG2 4.47Å; Y646-T649 PolarHBondContact O-OG1 2.89Å; T649-S651 VanDerWaalsContact C-N 3.25Å; T649-F656 HydrophobicContact CG2-CD2 4.22Å; T649-F656 HydrophobicContact CG2-CE2 3.94Å
650G62.8Low81Confident78 Ų7845.6 Ų45.680%0.80427%0.267SS*.THydrogen-bonded Turntrans-75.3-11.4168.300000113.9F648F648-G650 PolarHBondContact O-N 3.36Å; F648-G650 VanDerWaalsContact O-N 3.13Å
651S69Low81.1Confident40 Ų4042.8 Ų42.828%0.2826%0.256SS..  trans-87.5123.8178.967.90000111.5F648 T649 C653 L654F648-S651 WeakPolarHBondContact O-CB 3.41Å; F648-S651 PolarHBondContact O-N 3.43Å; F648-S651 PolarHBondContact O-OG 3.03Å; T649-S651 VanDerWaalsContact C-N 3.25Å; S651-C653 PolarHBondContact O-N 2.98Å; S651-L654 WeakPolarHBondContact OG-CD1 3.37Å; S651-L654 WeakPolarHBondContact OG-CG 3.33Å
652S68.1Low80.9Confident98 Ų9847.2 Ų47.269%0.68528%0.279SS*.THydrogen-bonded Turntrans-69.1-13.1177.651.40000113.9H622H622-S652 PolarHBondContact CE1-O 2.82Å; H622-S652 PolarHBondContact ND1-O 3.41Å
653C79.9Confident80.9Confident54 Ų5451.9 Ų51.937%0.36530%0.296SS..THydrogen-bonded Turntrans-88-22.2-177.2-59.70000113.7H622 M623 S651H622-C653 CarbonylContact C-O 3.56Å; H622-C653 WeakPolarHBondContact CA-O 3.45Å; H622-C653 WeakPolarHBondContact CB-O 3.5Å; M623-C653 PolarHBondContact N-O 3.19Å; S651-C653 PolarHBondContact O-N 2.98Å
654L84.8Confident81.1Confident12 Ų1246.7 Ų46.76%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-99.3128.5-178.8-62.8-178.9000111.4M623 V625 F648 S651 F656 M762 L766M623-L654 HydrophobicContact CB-CD2 4.21Å; M623-L654 HydrophobicContact CE-CD2 3.85Å; M623-L654 WeakPolarHBondContact O-CA 3.26Å; V625-L654 HydrophobicContact CG2-CD2 4.39Å; F648-L654 HydrophobicContact CB-CD1 4.14Å; S651-L654 WeakPolarHBondContact OG-CD1 3.37Å; S651-L654 WeakPolarHBondContact OG-CG 3.33Å; L654-F656 HydrophobicContact CB-CE1 4.17Å; L654-F656 HydrophobicContact CB-CE2 4.02Å; L654-F656 HydrophobicContact CB-CZ 3.52Å; L654-F656 HydrophobicContact CD1-CE1 4.49Å; L654-F656 HydrophobicContact CD1-CZ 3.97Å; L654-F656 HydrophobicContact CG-CZ 4.4Å; L654-M762 HydrophobicContact CD1-CE 3.7Å; L654-L766 HydrophobicContact CD1-CD1 4.46Å; L654-L766 HydrophobicContact CD1-CD2 4.15Å; L654-L766 HydrophobicContact CD2-CD2 4.46Å; L654-L766 HydrophobicContact CG-CD2 4.46Å
655H86.4Confident81.1Confident65 Ų6547.9 Ų47.930%0.30127%0.27SS..EExtended strand (participates in β ladder)trans-106.8152.8168.7-61.5-91.9000109.3H622 M623 N624 V625H622-H655 AromaticContact ND1-NE2 3.43Å; H622-H655 PolarHBondContact ND1-NE2 2.97Å; M623-H655 PolarHBondContact O-N 2.91Å; N624-H655 WeakPolarHBondContact CA-O 3.15Å; N624-H655 HydrophobicContact CB-CB 4.22Å; N624-H655 PolarHBondContact OD1-O 3.43Å; V625-H655 PolarHBondContact N-O 3.43Å
656F89.6Confident81Confident15 Ų1555.6 Ų55.67%0.06631%0.306CS..EExtended strand (participates in β ladder)trans-126.7125.4-176.9-59.1-66.6000111V603 T604 V625 F641 V645 F648 T649 L654 M762V603-F656 WeakPolarHBondContact CA-O 3.29Å; V603-F656 HydrophobicContact CG1-CB 4.46Å; V603-F656 HydrophobicContact CG2-CB 4.43Å; T604-F656 PolarHBondContact N-O 3.36Å; T604-F656 VanDerWaalsContact N-O 3.13Å; V625-F656 HydrophobicContact CB-CD1 3.86Å; V625-F656 HydrophobicContact CB-CE1 3.92Å; V625-F656 HydrophobicContact CG2-CE1 4.16Å; V625-F656 WeakPolarHBondContact O-CA 3.37Å; F641-F656 HydrophobicContact CZ-CD1 4.45Å; V645-F656 HydrophobicContact CG1-CD1 3.43Å; V645-F656 VanDerWaalsContact CG1-CD1 3.43Å; V645-F656 HydrophobicContact CG1-CD2 4.05Å; V645-F656 HydrophobicContact CG1-CE1 3.2Å; V645-F656 HydrophobicContact CG1-CE2 3.86Å; V645-F656 HydrophobicContact CG1-CG 3.86Å; V645-F656 HydrophobicContact CG1-CZ 3.43Å; V645-F656 VanDerWaalsContact CG1-CZ 3.43Å; F648-F656 HydrophobicContact CB-CZ 4.32Å; T649-F656 HydrophobicContact CG2-CD2 4.22Å; T649-F656 HydrophobicContact CG2-CE2 3.94Å; L654-F656 HydrophobicContact CB-CE1 4.17Å; L654-F656 HydrophobicContact CB-CE2 4.02Å; L654-F656 HydrophobicContact CB-CZ 3.52Å; L654-F656 HydrophobicContact CD1-CE1 4.49Å; L654-F656 HydrophobicContact CD1-CZ 3.97Å; L654-F656 HydrophobicContact CG-CZ 4.4Å; F656-M762 HydrophobicContact CE1-CE 4.04Å; F656-M762 HydrophobicContact CZ-CE 4.46Å
657S89.9Confident81.3Confident0 Ų050.6 Ų50.60%029%0.286CS..EExtended strand (participates in β ladder)trans-135.7169.9-178.7-42.70000111.1T604 N624 V625 V626 L627T604-S657 CarbonylContact O-C 3.54Å; T604-S657 WeakPolarHBondContact O-CA 3.49Å; T604-S657 WeakPolarHBondContact O-CB 3.3Å; T604-S657 PolarHBondContact OG1-OG 3.27Å; N624-S657 VanDerWaalsContact CG-OG 3.25Å; N624-S657 PolarHBondContact ND2-OG 3.15Å; N624-S657 PolarHBondContact OD1-OG 2.87Å; V625-S657 PolarHBondContact O-N 2.89Å; V626-S657 WeakPolarHBondContact CA-O 3.35Å; L627-S657 PolarHBondContact N-O 3.44Å
658F90.4Very high81.6Confident13 Ų1345.6 Ų45.66%0.05726%0.255CS..EExtended strand (participates in β ladder)trans-133.4148.4164.570.6-93.6000110.9V603 T604 E605 L606 L627 L629 K634 L638V603-F658 HydrophobicContact CG1-CB 4.46Å; V603-F658 HydrophobicContact CG1-CD1 3.98Å; T604-F658 WeakPolarHBondContact O-CD1 3.24Å; T604-F658 PolarHBondContact O-N 3.19Å; E605-F658 HydrophobicContact CB-CE1 3.96Å; E605-F658 HydrophobicContact CB-CE2 3.77Å; E605-F658 HydrophobicContact CB-CZ 3.43Å; E605-F658 VanDerWaalsContact CB-CZ 3.43Å; E605-F658 HydrophobicContact CG-CD2 4.23Å; E605-F658 HydrophobicContact CG-CE2 3.47Å; E605-F658 VanDerWaalsContact CG-CE2 3.47Å; E605-F658 HydrophobicContact CG-CZ 3.69Å; E605-F658 WeakPolarHBondContact OE2-CE2 3.34Å; E605-F658 WeakPolarHBondContact OE2-CZ 3.43Å; L606-F658 PolarHBondContact N-O 3.24Å; L627-F658 HydrophobicContact CB-CB 4.26Å; L627-F658 CarbonylContact O-C 3.47Å; L627-F658 WeakPolarHBondContact O-CA 3.31Å; L627-F658 WeakPolarHBondContact O-CB 3.36Å; L629-F658 HydrophobicContact CD1-CB 3.8Å; L629-F658 HydrophobicContact CD1-CD2 3.82Å; L629-F658 HydrophobicContact CD1-CG 3.87Å; L629-F658 HydrophobicContact CG-CB 4.38Å; K634-F658 HydrophobicContact CD-CE2 4.48Å; K634-F658 VanDerWaalsContact CE-CZ 3.46Å; L638-F658 HydrophobicContact CD1-CD1 3.53Å; L638-F658 HydrophobicContact CD1-CE1 3.66Å; L638-F658 HydrophobicContact CD1-CG 4.14Å; L638-F658 HydrophobicContact CD1-CZ 4.36Å
659L89.7Confident81.7Confident0 Ų045.7 Ų45.70%026%0.256CS..EExtended strand (participates in β ladder)trans-111.2133.5177.4-169.571.7000109.5L606 V626 L627 L629 L661 H664 W667 L781L606-L659 HydrophobicContact CB-CD1 4.18Å; L606-L659 HydrophobicContact CD2-CD1 4.34Å; V626-L659 HydrophobicContact CG1-CB 3.88Å; L627-L659 PolarHBondContact O-N 2.97Å; L629-L659 PolarHBondContact N-O 3.19Å; L659-L661 PolarHBondContact O-N 3.31Å; L659-H664 HydrophobicContact CD1-CB 3.92Å; L659-H664 HydrophobicContact CD2-CB 4.33Å; L659-H664 HydrophobicContact CG-CB 4.24Å; L659-W667 HydrophobicContact CD2-CE3 3.56Å; L659-W667 HydrophobicContact CD2-CZ3 3.75Å; L659-L781 HydrophobicContact CD1-CD1 4.17Å
660S87Confident82.2Confident4 Ų447.3 Ų47.33%0.02826%0.256CS..EExtended strand (participates in β ladder)trans-82.5107.9173.1-176.60000109.9D662 K663 H664S660-D662 PolarHBondContact O-N 3.48Å; S660-K663 PolarHBondContact O-N 2.89Å; S660-H664 PolarHBondContact O-N 2.87Å
661L84.1Confident83.2Confident7 Ų743.6 Ų43.64%0.03722%0.218CC..THydrogen-bonded Turntrans-56.6-37.8176.9-171.5159.9000111.2I628 L629 L659 K663 R665I628-L661 HydrophobicContact CG2-CB 4.17Å; I628-L661 HydrophobicContact CG2-CD1 3.95Å; I628-L661 HydrophobicContact CG2-CG 4.45Å; L629-L661 WeakPolarHBondContact O-CB 3.45Å; L629-L661 PolarHBondContact O-N 2.71Å; L659-L661 PolarHBondContact O-N 3.31Å; L661-K663 PolarHBondContact O-N 3.03Å; L661-K663 VanDerWaalsContact O-N 3.09Å; L661-R665 PolarHBondContact O-N 3.34Å
662D80.7Confident83.8Confident92 Ų9242 Ų4249%0.49221%0.207SC..THydrogen-bonded Turntrans-69.8-2.6178.6-50.4-39.1000114N631 S660N631-D662 VanDerWaalsContact CB-OD2 3.3Å; N631-D662 WeakPolarHBondContact CB-OD2 3.4Å; N631-D662 PolarHBondContact N-OD2 2.73Å; N631-D662 PolarHBondContact ND2-OD2 3.41Å; S660-D662 PolarHBondContact O-N 3.48Å
663K82.1Confident84.2Confident119 Ų11942.8 Ų42.852%0.51720%0.199SC..THydrogen-bonded Turntrans-113.8-57.8173.5-66.1-179.3-179.9175.80111.1E605 S660 L661E605-K663 IonicContact OE1-NZ 3.13Å; E605-K663 PolarHBondContact OE1-NZ 2.93Å; S660-K663 PolarHBondContact O-N 2.89Å; L661-K663 PolarHBondContact O-N 3.03Å; L661-K663 VanDerWaalsContact O-N 3.09Å
664H84.8Confident83.9Confident16 Ų1642.8 Ų42.87%0.07419%0.193CC..SBendtrans-110.848.4-165.8-44.9-68.6000111.3L659 S660 W667 L668 L781 D782L659-H664 HydrophobicContact CD1-CB 3.92Å; L659-H664 HydrophobicContact CD2-CB 4.33Å; L659-H664 HydrophobicContact CG-CB 4.24Å; S660-H664 PolarHBondContact O-N 2.87Å; H664-W667 HydrophobicContact CB-CB 4.19Å; H664-L668 PolarHBondContact O-N 3.28Å; H664-L781 VanDerWaalsContact CE1-CD2 3.47Å; H664-L781 WeakPolarHBondContact CE1-CD2 3.47Å; H664-L781 WeakPolarHBondContact ND1-CD2 3.46Å; H664-D782 PolarHBondContact CE1-O 3.18Å; H664-D782 PolarHBondContact ND1-O 3.46Å
665R83.3Confident83.1Confident85 Ų8542.9 Ų42.932%0.32120%0.196SC..Hα-helixtrans-62.8-51177.3170.8178.5-79.4-93.510.5111.6L661 W667 L668 E669 M690L661-R665 PolarHBondContact O-N 3.34Å; R665-W667 VanDerWaalsContact C-N 3.32Å; R665-W667 PolarHBondContact O-N 3.08Å; R665-L668 WeakPolarHBondContact O-CA 3.49Å; R665-L668 WeakPolarHBondContact O-CB 3.32Å; R665-L668 PolarHBondContact O-N 3.33Å; R665-E669 WeakPolarHBondContact CD-OE1 3.37Å; R665-E669 HydrophobicContact CG-CG 4.31Å; R665-E669 WeakPolarHBondContact CG-OE1 3.45Å; R665-E669 WeakPolarHBondContact CG-OE2 3.29Å; R665-E669 IonicContact CZ-OE1 3.21Å; R665-E669 IonicContact NE-OE1 3.23Å; R665-E669 IonicContact NH1-OE1 2.64Å; R665-E669 PolarHBondContact NH1-OE1 3.32Å; R665-E669 PolarHBondContact O-N 2.99Å; R665-M690 PolarHBondContact NH1-O 3.48Å; R665-M690 VanDerWaalsContact NH1-O 3.13Å
666E80.4Confident81.9Confident162 Ų16243.4 Ų43.476%0.75720%0.199SC*.Hα-helixtrans-63-39.8-174.5-60.2-179.9-17500111.5L668 E669 Y670E666-L668 VanDerWaalsContact C-N 3.29Å; E666-L668 PolarHBondContact O-N 3.24Å; E666-E669 PolarHBondContact O-N 3.25Å; E666-Y670 WeakPolarHBondContact O-CB 3.37Å; E666-Y670 PolarHBondContact O-N 2.93Å
667W86.9Confident80Confident16 Ų1649.2 Ų49.26%0.06123%0.23CC..Hα-helixtrans-54.2-43.4171-177.897.5000112.6Y611 L659 H664 R665 L671 L699 L701 P779 L781Y611-W667 AromaticContact CE2-CE2 3.95Å; Y611-W667 AromaticContact CE2-CZ2 3.63Å; Y611-W667 HydrophobicContact CE2-CZ2 3.63Å; Y611-W667 AromaticContact CE2-NE1 3.8Å; Y611-W667 AromaticContact CZ-NE1 3.49Å; Y611-W667 PolarHBondContact OH-NE1 3.36Å; L659-W667 HydrophobicContact CD2-CE3 3.56Å; L659-W667 HydrophobicContact CD2-CZ3 3.75Å; H664-W667 HydrophobicContact CB-CB 4.19Å; R665-W667 VanDerWaalsContact C-N 3.32Å; R665-W667 PolarHBondContact O-N 3.08Å; W667-L671 HydrophobicContact CH2-CD1 3.52Å; W667-L671 HydrophobicContact CZ2-CD1 4.01Å; W667-L671 HydrophobicContact CZ3-CD1 3.96Å; W667-L671 WeakPolarHBondContact O-CB 3.42Å; W667-L671 PolarHBondContact O-N 3.31Å; W667-L699 HydrophobicContact CZ3-CD1 4.25Å; W667-L701 HydrophobicContact CH2-CD1 3.93Å; W667-P779 HydrophobicContact CG-CG 4.41Å; W667-P779 PolarHBondContact NE1-O 2.97Å; W667-L781 HydrophobicContact CD2-CD1 4.29Å; W667-L781 HydrophobicContact CG-CD1 4.43Å; W667-L781 HydrophobicContact CG-CG 4.34Å
668L85.3Confident77.7Confident1 Ų151.5 Ų51.51%0.00525%0.25CC..Hα-helixtrans-73.4-40.3179.7175.962000111.9I628 H664 R665 E666 L671 L672 Y694 L699I628-L668 HydrophobicContact CD1-CD1 3.6Å; I628-L668 HydrophobicContact CD1-CD2 3.78Å; I628-L668 HydrophobicContact CD1-CG 4.37Å; I628-L668 HydrophobicContact CG1-CD1 4.4Å; I628-L668 HydrophobicContact CG1-CD2 4.13Å; I628-L668 HydrophobicContact CG2-CD2 3.85Å; H664-L668 PolarHBondContact O-N 3.28Å; R665-L668 WeakPolarHBondContact O-CA 3.49Å; R665-L668 WeakPolarHBondContact O-CB 3.32Å; R665-L668 PolarHBondContact O-N 3.33Å; E666-L668 VanDerWaalsContact C-N 3.29Å; E666-L668 PolarHBondContact O-N 3.24Å; L668-L671 PolarHBondContact O-N 2.9Å; L668-L672 HydrophobicContact CD1-CD1 3.85Å; L668-L672 HydrophobicContact CD1-CG 3.95Å; L668-L672 HydrophobicContact CG-CD1 3.9Å; L668-L672 HydrophobicContact CG-CG 4.36Å; L668-L672 WeakPolarHBondContact O-CB 3.07Å; L668-L672 VanDerWaalsContact O-CG 3.28Å; L668-L672 WeakPolarHBondContact O-CG 3.1Å; L668-L672 PolarHBondContact O-N 3.35Å; L668-Y694 HydrophobicContact CD2-CD2 4Å; L668-Y694 HydrophobicContact CD2-CG 3.92Å; L668-L699 HydrophobicContact CD1-CD1 3.8Å
669E80.8Confident75.2Confident25 Ų2554.2 Ų54.212%0.11727%0.274CS..Hα-helixtrans-66.6-43-180-74.9166179.200111.2R665 E666 L671 L672 E673 M690 Y694R665-E669 WeakPolarHBondContact CD-OE1 3.37Å; R665-E669 HydrophobicContact CG-CG 4.31Å; R665-E669 WeakPolarHBondContact CG-OE1 3.45Å; R665-E669 WeakPolarHBondContact CG-OE2 3.29Å; R665-E669 IonicContact CZ-OE1 3.21Å; R665-E669 IonicContact NE-OE1 3.23Å; R665-E669 IonicContact NH1-OE1 2.64Å; R665-E669 PolarHBondContact NH1-OE1 3.32Å; R665-E669 PolarHBondContact O-N 2.99Å; E666-E669 PolarHBondContact O-N 3.25Å; E669-L671 PolarHBondContact O-N 2.89Å; E669-L672 PolarHBondContact O-N 2.97Å; E669-E673 PolarHBondContact O-N 3.45Å; E669-E673 VanDerWaalsContact O-N 3.09Å; E669-M690 HydrophobicContact CG-SD 4.48Å; E669-Y694 HydrophobicContact CG-CE2 4.06Å
670Y81.2Confident72.7Confident91 Ų9160.2 Ų60.236%0.35731%0.313SS..Hα-helixtrans-57.1-46.5169.9178-90000112.1E666 L672 E673 F674 P779E666-Y670 WeakPolarHBondContact O-CB 3.37Å; E666-Y670 PolarHBondContact O-N 2.93Å; Y670-L672 VanDerWaalsContact C-N 3.33Å; Y670-L672 PolarHBondContact O-N 3.21Å; Y670-E673 WeakPolarHBondContact O-CB 3.49Å; Y670-E673 PolarHBondContact O-N 3.45Å; Y670-F674 HydrophobicContact CD1-CE2 4.03Å; Y670-F674 AromaticContact CE1-CE2 3.62Å; Y670-F674 HydrophobicContact CE1-CE2 3.62Å; Y670-F674 HydrophobicContact CE1-CZ 4.24Å; Y670-F674 HydrophobicContact CE2-CE2 4.39Å; Y670-F674 AromaticContact CZ-CE2 3.82Å; Y670-F674 VanDerWaalsContact O-CD2 3.26Å; Y670-F674 WeakPolarHBondContact O-CD2 3.32Å; Y670-F674 WeakPolarHBondContact O-CE2 3.45Å; Y670-P779 HydrophobicContact CD1-CB 3.9Å; Y670-P779 HydrophobicContact CD1-CG 3.72Å; Y670-P779 HydrophobicContact CE1-CB 3.95Å; Y670-P779 HydrophobicContact CE1-CG 3.98Å
671L82.8Confident70.3Confident1 Ų167 Ų671%0.00535%0.348CS..Hα-helixtrans-65.2-37.1179.3-178149000112.1W667 L668 E669 L699 L701 F708 W778W667-L671 HydrophobicContact CH2-CD1 3.52Å; W667-L671 HydrophobicContact CZ2-CD1 4.01Å; W667-L671 HydrophobicContact CZ3-CD1 3.96Å; W667-L671 WeakPolarHBondContact O-CB 3.42Å; W667-L671 PolarHBondContact O-N 3.31Å; L668-L671 PolarHBondContact O-N 2.9Å; E669-L671 PolarHBondContact O-N 2.89Å; L671-L699 HydrophobicContact CD2-CD1 3.95Å; L671-L699 HydrophobicContact CD2-CD2 3.76Å; L671-L701 HydrophobicContact CD1-CD2 4.14Å; L671-F708 HydrophobicContact CD1-CD1 4.3Å; L671-F708 HydrophobicContact CD2-CD1 3.83Å; L671-F708 HydrophobicContact CD2-CD2 3.86Å; L671-F708 HydrophobicContact CD2-CE1 3.61Å; L671-F708 HydrophobicContact CD2-CE2 3.63Å; L671-F708 HydrophobicContact CD2-CG 3.95Å; L671-F708 HydrophobicContact CD2-CZ 3.5Å; L671-F708 HydrophobicContact CG-CD1 3.94Å; L671-F708 HydrophobicContact CG-CE1 3.73Å; L671-F708 HydrophobicContact CG-CG 4.49Å; L671-F708 HydrophobicContact CG-CZ 4.1Å; L671-F708 WeakPolarHBondContact O-CE1 3.45Å; L671-F708 WeakPolarHBondContact O-CZ 3.48Å; L671-W778 HydrophobicContact CD1-CZ3 3.86Å
672L81.6Confident68Low7 Ų771.6 Ų71.64%0.03738%0.378CS..Hα-helixtrans-76.6-18-179.7-72.1177000114.1L668 E669 Y670 F674 A675 Q676 F689 Y694 L710L668-L672 HydrophobicContact CD1-CD1 3.85Å; L668-L672 HydrophobicContact CD1-CG 3.95Å; L668-L672 HydrophobicContact CG-CD1 3.9Å; L668-L672 HydrophobicContact CG-CG 4.36Å; L668-L672 WeakPolarHBondContact O-CB 3.07Å; L668-L672 VanDerWaalsContact O-CG 3.28Å; L668-L672 WeakPolarHBondContact O-CG 3.1Å; L668-L672 PolarHBondContact O-N 3.35Å; E669-L672 PolarHBondContact O-N 2.97Å; Y670-L672 VanDerWaalsContact C-N 3.33Å; Y670-L672 PolarHBondContact O-N 3.21Å; L672-F674 VanDerWaalsContact C-N 3.32Å; L672-F674 PolarHBondContact O-N 2.74Å; L672-A675 WeakPolarHBondContact O-CB 3.3Å; L672-A675 PolarHBondContact O-N 3.49Å; L672-Q676 PolarHBondContact O-N 3.39Å; L672-F689 HydrophobicContact CB-CZ 4.16Å; L672-Y694 HydrophobicContact CD1-CD1 3.69Å; L672-Y694 HydrophobicContact CD1-CE1 3.54Å; L672-Y694 HydrophobicContact CD1-CG 4.31Å; L672-L710 HydrophobicContact CD2-CD1 3.93Å; L672-L710 HydrophobicContact CD2-CD2 3.87Å
673E77.1Confident65.9Low113 Ų11375.1 Ų75.153%0.52840%0.397SS..Hα-helixtrans-56.3-46.4171.3-169.8171.8-160.200111.1E669 Y670 A675 Q676E669-E673 PolarHBondContact O-N 3.45Å; E669-E673 VanDerWaalsContact O-N 3.09Å; Y670-E673 WeakPolarHBondContact O-CB 3.49Å; Y670-E673 PolarHBondContact O-N 3.45Å; E673-A675 PolarHBondContact O-N 3.17Å; E673-Q676 WeakPolarHBondContact O-CB 3.2Å; E673-Q676 PolarHBondContact O-N 3.36Å
674F72.4Confident63.9Low54 Ų5477.5 Ų77.524%0.23741%0.409CS..THydrogen-bonded Turntrans-63.7-10.8175.1-59.1-84.1000114.5Y670 L672 F708 I775 P776Y670-F674 HydrophobicContact CD1-CE2 4.03Å; Y670-F674 AromaticContact CE1-CE2 3.62Å; Y670-F674 HydrophobicContact CE1-CE2 3.62Å; Y670-F674 HydrophobicContact CE1-CZ 4.24Å; Y670-F674 HydrophobicContact CE2-CE2 4.39Å; Y670-F674 AromaticContact CZ-CE2 3.82Å; Y670-F674 VanDerWaalsContact O-CD2 3.26Å; Y670-F674 WeakPolarHBondContact O-CD2 3.32Å; Y670-F674 WeakPolarHBondContact O-CE2 3.45Å; L672-F674 VanDerWaalsContact C-N 3.32Å; L672-F674 PolarHBondContact O-N 2.74Å; F674-F708 HydrophobicContact CB-CE1 4.4Å; F674-I775 HydrophobicContact CB-CG2 4.04Å; F674-I775 HydrophobicContact CD1-CG2 4.33Å; F674-I775 HydrophobicContact CD2-CG2 3.82Å; F674-I775 HydrophobicContact CE2-CG2 4.39Å; F674-I775 HydrophobicContact CG-CG2 3.79Å; F674-P776 HydrophobicContact CE1-CG 4.44Å; F674-P776 HydrophobicContact CZ-CG 4.38Å
675A68.6Low62Low15 Ų1586.5 Ų86.512%0.12444%0.444CS..THydrogen-bonded Turntrans-94.7-8.1171.900000113.8L672 E673 F708 L710 F773L672-A675 WeakPolarHBondContact O-CB 3.3Å; L672-A675 PolarHBondContact O-N 3.49Å; E673-A675 PolarHBondContact O-N 3.17Å; A675-F708 HydrophobicContact CB-CE2 4.09Å; A675-F708 HydrophobicContact CB-CZ 3.95Å; A675-L710 HydrophobicContact CB-CD2 4.3Å; A675-F773 HydrophobicContact CB-CD1 3.94Å; A675-F773 HydrophobicContact CB-CD2 4.35Å; A675-F773 HydrophobicContact CB-CE1 3.98Å; A675-F773 HydrophobicContact CB-CE2 4.41Å; A675-F773 HydrophobicContact CB-CG 4.13Å; A675-F773 HydrophobicContact CB-CZ 4.23Å
676Q60.8Low60.3Low76 Ų7684.7 Ų84.736%0.35544%0.441SS..THydrogen-bonded Turntrans-88.9-42.1175.5-62.7-169.967.600112.1L672 E673 A678 A679L672-Q676 PolarHBondContact O-N 3.39Å; E673-Q676 WeakPolarHBondContact O-CB 3.2Å; E673-Q676 PolarHBondContact O-N 3.36Å; Q676-A678 PolarHBondContact O-N 2.84Å; Q676-A679 WeakPolarHBondContact O-CB 3.37Å; Q676-A679 PolarHBondContact O-N 3.06Å
677D49.5Very low58.7Low136 Ų13686.2 Ų86.273%0.72745%0.445SS*.THydrogen-bonded Turntrans-58.3-14.7178.3-95.9-10.4000114.4
678A41.8Very low57Low49 Ų4990.5 Ų90.541%0.40547%0.466SS..THydrogen-bonded Turntrans-96.38.4176.800000114.3Q676 F773Q676-A678 PolarHBondContact O-N 2.84Å; A678-F773 HydrophobicContact CB-CD1 4.15Å; A678-F773 HydrophobicContact CB-CE1 3.94Å
679A38.5Very low55.4Low69 Ų6991.9 Ų91.957%0.5747%0.472SS*.SBendtrans-101.9112.517800000111.4Q676 I681Q676-A679 WeakPolarHBondContact O-CB 3.37Å; Q676-A679 PolarHBondContact O-N 3.06Å; A679-I681 PolarHBondContact O-N 2.89Å; A679-I681 VanDerWaalsContact O-N 3.13Å
680P37.8Very low54.1Low126 Ų12696.2 Ų96.282%0.81849%0.493SS*.  trans-85.987.1-174.433.3-34.9000112.7
681I35Very low52.9Low147 Ų14799 Ų9975%0.75451%0.509SS*.  trans-157.1136.6158.2-97.3141.1000108.9A679A679-I681 PolarHBondContact O-N 2.89Å; A679-I681 VanDerWaalsContact O-N 3.13Å
682P35.7Very low52.2Low103 Ų103104.5 Ų104.567%0.66953%0.53SS*.SBendtrans-78.3158.2174.132.6-34.6000112.6
683N38.6Very low51.8Low167 Ų167108.1 Ų108.189%0.89355%0.55SS*.SBendtrans71.539.1167.1-57.8-12.2000118
684Q39Very low52Low168 Ų168103 Ų10379%0.78553%0.525SS*.  trans-142.574.1158.4-140.4173.828.900113.7D686Q684-D686 VanDerWaalsContact C-N 3.3Å; Q684-D686 PolarHBondContact O-N 2.89Å
685Y45.2Very low52.5Low205 Ų205100.6 Ų100.680%0.80452%0.515SS*.  trans-67.197.2149.9-81.4-73.6000107.1K687Y685-K687 PolarHBondContact O-N 3.37Å; Y685-K687 VanDerWaalsContact O-N 3.14Å
686D47.1Very low53.1Low47 Ų4799.9 Ų99.925%0.25151%0.509SS..  trans-66.1111.5178.3-179.58.2000109.8Q684 H688 F689 R692Q684-D686 VanDerWaalsContact C-N 3.3Å; Q684-D686 PolarHBondContact O-N 2.89Å; D686-H688 PolarHBondContact O-N 3.5Å; D686-H688 VanDerWaalsContact O-N 3.08Å; D686-H688 IonicContact OD1-CD2 3.99Å; D686-H688 PolarHBondContact OD1-N 2.92Å; D686-F689 WeakPolarHBondContact O-CB 3.39Å; D686-F689 PolarHBondContact O-N 2.96Å; D686-R692 IonicContact OD2-CZ 3Å; D686-R692 VanDerWaalsContact OD2-CZ 3.23Å; D686-R692 IonicContact OD2-NE 2.6Å; D686-R692 PolarHBondContact OD2-NE 3.44Å; D686-R692 VanDerWaalsContact OD2-NE 3.17Å; D686-R692 IonicContact OD2-NH2 3.65Å; D686-R692 PolarHBondContact OD2-NH2 2.95Å
687K48Very low54.4Low195 Ų19598 Ų9885%0.84850%0.499SS*.THydrogen-bonded Turntrans-58.3-22.1178.8-74.8-175.5174.4-179.80112.9Y685Y685-K687 PolarHBondContact O-N 3.37Å; Y685-K687 VanDerWaalsContact O-N 3.14Å
688H50.3Low56.4Low106 Ų10691.5 Ų91.549%0.49146%0.464SS..THydrogen-bonded Turntrans-94.611.8179.1-59.6-80.1000113.4D686 M690 E691 R692D686-H688 PolarHBondContact O-N 3.5Å; D686-H688 VanDerWaalsContact O-N 3.08Å; D686-H688 IonicContact OD1-CD2 3.99Å; D686-H688 PolarHBondContact OD1-N 2.92Å; H688-M690 VanDerWaalsContact C-N 3.28Å; H688-M690 PolarHBondContact O-N 3.48Å; H688-E691 IonicContact CE1-OE2 3.93Å; H688-E691 IonicContact CG-OE2 2.64Å; H688-E691 IonicContact ND1-OE2 2.78Å; H688-E691 PolarHBondContact ND1-OE2 3.17Å; H688-E691 PolarHBondContact O-N 3.36Å; H688-R692 PolarHBondContact O-N 3.39Å
689F52.2Low58.8Low29 Ų2989.1 Ų89.113%0.12745%0.445CS..G310 helixtrans-53.2-43.3177.9175.8-111.4000112.9L672 D686 E691 R692 Y694L672-F689 HydrophobicContact CB-CZ 4.16Å; D686-F689 WeakPolarHBondContact O-CB 3.39Å; D686-F689 PolarHBondContact O-N 2.96Å; F689-E691 PolarHBondContact O-N 2.91Å; F689-R692 PolarHBondContact O-N 2.85Å; F689-Y694 WeakPolarHBondContact CD2-OH 3.46Å; F689-Y694 WeakPolarHBondContact CE2-OH 3.44Å; F689-Y694 WeakPolarHBondContact CZ-OH 3.26Å; F689-Y694 PolarHBondContact O-OH 3.16Å
690M52.2Low61.3Low117 Ų11785.9 Ų85.958%0.57642%0.418SS*.G310 helixtrans-72.3-14.4178.8-54.5-51.1-171.800113.7R665 E669 H688R665-M690 PolarHBondContact NH1-O 3.48Å; R665-M690 VanDerWaalsContact NH1-O 3.13Å; E669-M690 HydrophobicContact CG-SD 4.48Å; H688-M690 VanDerWaalsContact C-N 3.28Å; H688-M690 PolarHBondContact O-N 3.48Å
691E56.4Low63.8Low148 Ų14879.9 Ų79.969%0.69238%0.379SS*.G310 helixtrans-96.8-1.3-177.7-61.1-174.6154.700113H688 F689H688-E691 IonicContact CE1-OE2 3.93Å; H688-E691 IonicContact CG-OE2 2.64Å; H688-E691 IonicContact ND1-OE2 2.78Å; H688-E691 PolarHBondContact ND1-OE2 3.17Å; H688-E691 PolarHBondContact O-N 3.36Å; F689-E691 PolarHBondContact O-N 2.91Å
692R67.6Low66.4Low118 Ų11873.4 Ų73.445%0.44535%0.346SS..  trans-74144-177.6-71.5174.4174.9-148.1-4.8113D686 H688 F689 Y694D686-R692 IonicContact OD2-CZ 3Å; D686-R692 VanDerWaalsContact OD2-CZ 3.23Å; D686-R692 IonicContact OD2-NE 2.6Å; D686-R692 PolarHBondContact OD2-NE 3.44Å; D686-R692 VanDerWaalsContact OD2-NE 3.17Å; D686-R692 IonicContact OD2-NH2 3.65Å; D686-R692 PolarHBondContact OD2-NH2 2.95Å; H688-R692 PolarHBondContact O-N 3.39Å; F689-R692 PolarHBondContact O-N 2.85Å; R692-Y694 HydrophobicContact CB-CE1 4.23Å; R692-Y694 HydrophobicContact CB-CE2 4.47Å
693D74.1Confident68.6Low83 Ų8368.8 Ų68.844%0.44432%0.317SS..  trans-85.4107.3169.9171.838.9000111.2T695 K754D693-T695 VanDerWaalsContact C-N 3.3Å; D693-T695 WeakPolarHBondContact OD1-CB 3.4Å; D693-T695 PolarHBondContact OD1-N 2.73Å; D693-T695 PolarHBondContact OD1-OG1 2.83Å; D693-K754 IonicContact OD2-NZ 2.72Å; D693-K754 PolarHBondContact OD2-NZ 2.85Å
694Y81.2Confident70.5Confident5 Ų566.2 Ų66.22%0.0230%0.3CS..  trans-83.62.5174.6-55.1-70.2000114I628 L668 E669 L672 F689 R692 G696 Y697I628-Y694 WeakPolarHBondContact CG2-O 3.43Å; L668-Y694 HydrophobicContact CD2-CD2 4Å; L668-Y694 HydrophobicContact CD2-CG 3.92Å; E669-Y694 HydrophobicContact CG-CE2 4.06Å; L672-Y694 HydrophobicContact CD1-CD1 3.69Å; L672-Y694 HydrophobicContact CD1-CE1 3.54Å; L672-Y694 HydrophobicContact CD1-CG 4.31Å; F689-Y694 WeakPolarHBondContact CD2-OH 3.46Å; F689-Y694 WeakPolarHBondContact CE2-OH 3.44Å; F689-Y694 WeakPolarHBondContact CZ-OH 3.26Å; F689-Y694 PolarHBondContact O-OH 3.16Å; R692-Y694 HydrophobicContact CB-CE1 4.23Å; R692-Y694 HydrophobicContact CB-CE2 4.47Å; Y694-G696 PolarHBondContact O-N 3.08Å; Y694-Y697 HydrophobicContact CD1-CD1 4.18Å; Y694-Y697 AromaticContact CD1-CE1 3.88Å; Y694-Y697 HydrophobicContact CD1-CE1 3.88Å; Y694-Y697 HydrophobicContact CD1-CE2 4.47Å; Y694-Y697 HydrophobicContact CE1-CE1 4.48Å; Y694-Y697 WeakPolarHBondContact O-CB 3.46Å; Y694-Y697 VanDerWaalsContact O-CD2 3.26Å; Y694-Y697 WeakPolarHBondContact O-CD2 3.32Å; Y694-Y697 PolarHBondContact O-N 3.49Å; Y694-Y697 VanDerWaalsContact O-N 3.09Å
695T83.3Confident72.5Confident3 Ų364.8 Ų64.82%0.01829%0.291CS..THydrogen-bonded Turntrans-56.5123.6178.8-60.70000111.2S630 T633 L637 D693 K754S630-T695 WeakPolarHBondContact CB-OG1 3.39Å; S630-T695 WeakPolarHBondContact OG-CG2 3.29Å; S630-T695 PolarHBondContact OG-OG1 3.19Å; T633-T695 HydrophobicContact CG2-CG2 3.98Å; T633-T695 WeakPolarHBondContact OG1-CG2 3.38Å; L637-T695 HydrophobicContact CD1-CG2 3.51Å; D693-T695 VanDerWaalsContact C-N 3.3Å; D693-T695 WeakPolarHBondContact OD1-CB 3.4Å; D693-T695 PolarHBondContact OD1-N 2.73Å; D693-T695 PolarHBondContact OD1-OG1 2.83Å; T695-K754 WeakPolarHBondContact O-CD 3.27Å; T695-K754 PolarHBondContact O-NZ 3.39Å
696G80.3Confident74.5Confident0 Ų059.6 Ų59.60%027%0.272CS..THydrogen-bonded Turntrans90.43.9-179.900000115.1I628 Y694 L755I628-G696 PolarHBondContact O-N 3.38Å; Y694-G696 PolarHBondContact O-N 3.08Å; G696-L755 WeakPolarHBondContact O-CD2 3.32Å
697Y89.1Confident76.4Confident36 Ų3658.4 Ų58.414%0.14126%0.264CS..  trans-71.1151.2165.7-77.6-136.3000109.8I628 Y694 L710 K712 P713I628-Y697 PolarHBondContact N-O 2.95Å; Y694-Y697 HydrophobicContact CD1-CD1 4.18Å; Y694-Y697 AromaticContact CD1-CE1 3.88Å; Y694-Y697 HydrophobicContact CD1-CE1 3.88Å; Y694-Y697 HydrophobicContact CD1-CE2 4.47Å; Y694-Y697 HydrophobicContact CE1-CE1 4.48Å; Y694-Y697 WeakPolarHBondContact O-CB 3.46Å; Y694-Y697 VanDerWaalsContact O-CD2 3.26Å; Y694-Y697 WeakPolarHBondContact O-CD2 3.32Å; Y694-Y697 PolarHBondContact O-N 3.49Å; Y694-Y697 VanDerWaalsContact O-N 3.09Å; Y697-L710 HydrophobicContact CD1-CD1 4.13Å; Y697-K712 HydrophobicContact CD1-CG 4.44Å; Y697-K712 HydrophobicContact CE1-CG 3.98Å; Y697-P713 HydrophobicContact CD2-CG 3.75Å; Y697-P713 VanDerWaalsContact CE2-CD 3.45Å; Y697-P713 HydrophobicContact CE2-CG 3.74Å
698V90.6Very high78.4Confident0 Ų049.1 Ų49.10%022%0.224CC..EExtended strand (participates in β ladder)trans-127.3134.7174.1179.50000109.6V625 V626 L627 F641 F711 L755 L758 W761V625-V698 HydrophobicContact CG1-CG1 3.44Å; V625-V698 VanDerWaalsContact CG1-CG1 3.44Å; V626-V698 WeakPolarHBondContact O-CA 3.35Å; L627-V698 HydrophobicContact CD1-CG2 3.63Å; F641-V698 HydrophobicContact CD2-CG2 4.21Å; F641-V698 HydrophobicContact CE2-CG1 4.04Å; F641-V698 HydrophobicContact CE2-CG2 3.93Å; V698-F711 HydrophobicContact CB-CB 3.94Å; V698-F711 HydrophobicContact CB-CD1 4.24Å; V698-F711 HydrophobicContact CB-CG 4.47Å; V698-F711 HydrophobicContact CG2-CD1 4.27Å; V698-F711 PolarHBondContact N-O 3.22Å; V698-F711 WeakPolarHBondContact O-CB 3.25Å; V698-F711 PolarHBondContact O-N 3.17Å; V698-L755 HydrophobicContact CG2-CD2 4.29Å; V698-L758 HydrophobicContact CB-CD1 4.18Å; V698-L758 HydrophobicContact CG1-CD1 4.28Å; V698-L758 HydrophobicContact CG2-CD1 4Å; V698-L758 HydrophobicContact CG2-CD2 4.32Å; V698-W761 HydrophobicContact CG1-CH2 4.45Å; V698-W761 HydrophobicContact CG1-CZ3 4.16Å
699L91.8Very high80.3Confident0 Ų044.2 Ų44.20%020%0.201CC..EExtended strand (participates in β ladder)trans-112.2137.7175.9-70.4168.4000109.5V625 V626 I628 W667 L668 L671 L701 F708 C709 L710V625-L699 CarbonylContact C-O 3.39Å; V625-L699 VanDerWaalsContact CA-O 3.31Å; V625-L699 WeakPolarHBondContact CA-O 3.35Å; V626-L699 PolarHBondContact N-O 2.81Å; V626-L699 PolarHBondContact O-N 2.85Å; I628-L699 HydrophobicContact CD1-CD1 3.96Å; I628-L699 HydrophobicContact CD1-CG 4.12Å; W667-L699 HydrophobicContact CZ3-CD1 4.25Å; L668-L699 HydrophobicContact CD1-CD1 3.8Å; L671-L699 HydrophobicContact CD2-CD1 3.95Å; L671-L699 HydrophobicContact CD2-CD2 3.76Å; L699-L701 HydrophobicContact CB-CD2 3.74Å; L699-L701 HydrophobicContact CB-CG 4.19Å; L699-L701 HydrophobicContact CD1-CD2 4.29Å; L699-L701 HydrophobicContact CG-CD2 4.45Å; L699-F708 HydrophobicContact CD2-CD2 3.69Å; L699-F708 HydrophobicContact CD2-CE2 4.13Å; L699-F708 HydrophobicContact CD2-CG 4.45Å; L699-C709 WeakPolarHBondContact CA-O 3.27Å; L699-L710 HydrophobicContact CD2-CD1 3.6Å; L699-L710 HydrophobicContact CG-CD1 4.47Å
700A91.3Very high82.1Confident0 Ų044 Ų440%020%0.202CC..EExtended strand (participates in β ladder)trans-110.3109.9166.200000109.2M623 V625 F708 C709 W761 L765M623-A700 HydrophobicContact CG-CB 4.27Å; M623-A700 HydrophobicContact SD-CB 3.93Å; V625-A700 HydrophobicContact CG2-CB 4.05Å; A700-F708 CarbonylContact O-C 3.57Å; A700-F708 WeakPolarHBondContact O-CA 3.22Å; A700-C709 HydrophobicContact CB-CB 4.25Å; A700-C709 PolarHBondContact N-O 2.62Å; A700-C709 PolarHBondContact O-N 3.43Å; A700-W761 HydrophobicContact CB-CH2 3.77Å; A700-W761 HydrophobicContact CB-CZ3 4.4Å; A700-L765 HydrophobicContact CB-CD1 3.69Å; A700-L765 HydrophobicContact CB-CD2 3.54Å; A700-L765 HydrophobicContact CB-CG 4.27Å
701L91.6Very high83.8Confident0 Ų039.2 Ų39.20%018%0.178CC..EExtended strand (participates in β ladder)trans-104.3121.6-167.6-52.1-178.1000111L615 M623 N624 V626 W667 L671 L699 F708 W778L615-L701 HydrophobicContact CD1-CB 3.49Å; L615-L701 VanDerWaalsContact CD1-CB 3.49Å; L615-L701 HydrophobicContact CD1-CD1 4.47Å; L615-L701 HydrophobicContact CD2-CB 4.13Å; L615-L701 HydrophobicContact CD2-CD1 3.67Å; L615-L701 HydrophobicContact CG-CB 4.46Å; M623-L701 WeakPolarHBondContact CG-O 3.38Å; N624-L701 PolarHBondContact N-O 3.45Å; N624-L701 PolarHBondContact O-N 3Å; V626-L701 HydrophobicContact CB-CD1 4.48Å; V626-L701 HydrophobicContact CG2-CD1 3.61Å; V626-L701 HydrophobicContact CG2-CG 4.09Å; W667-L701 HydrophobicContact CH2-CD1 3.93Å; L671-L701 HydrophobicContact CD1-CD2 4.14Å; L699-L701 HydrophobicContact CB-CD2 3.74Å; L699-L701 HydrophobicContact CB-CG 4.19Å; L699-L701 HydrophobicContact CD1-CD2 4.29Å; L699-L701 HydrophobicContact CG-CD2 4.45Å; L701-F708 HydrophobicContact CD2-CB 3.56Å; L701-F708 HydrophobicContact CD2-CG 4.44Å; L701-W778 HydrophobicContact CB-CH2 3.9Å; L701-W778 HydrophobicContact CB-CZ3 4.35Å; L701-W778 HydrophobicContact CD1-CZ3 4.45Å; L701-W778 HydrophobicContact CD2-CH2 3.97Å; L701-W778 HydrophobicContact CD2-CZ3 3.98Å; L701-W778 HydrophobicContact CG-CH2 4.43Å
702N88.8Confident85.2Confident11 Ų1138.4 Ų38.46%0.05917%0.172CC..EExtended strand (participates in β ladder)trans-106.495.6179-164.8-71.5000111.1H622 H704 K705 K706 Y707 W778H622-N702 PolarHBondContact O-ND2 3.42Å; N702-H704 PolarHBondContact O-N 2.94Å; N702-K705 PolarHBondContact O-N 3.09Å; N702-K705 WeakPolarHBondContact OD1-CB 3.4Å; N702-K705 PolarHBondContact OD1-N 2.98Å; N702-K706 WeakPolarHBondContact O-CA 3.47Å; N702-K706 PolarHBondContact O-N 3.18Å; N702-Y707 HydrophobicContact CB-CD1 3.86Å; N702-Y707 HydrophobicContact CB-CD2 4.22Å; N702-Y707 HydrophobicContact CB-CE1 3.54Å; N702-Y707 HydrophobicContact CB-CE2 3.92Å; N702-Y707 HydrophobicContact CB-CG 4.17Å; N702-Y707 PolarHBondContact N-O 3.39Å; N702-Y707 PolarHBondContact ND2-OH 3.39Å; N702-Y707 PolarHBondContact O-N 3.25Å; N702-W778 WeakPolarHBondContact O-CZ2 3.36Å
703G82.4Confident85.8Confident6 Ų634 Ų346%0.06216%0.158CC..THydrogen-bonded Turntrans-49.1-59.1-17700000113.5L615 K705 K706 W778L615-G703 VanDerWaalsContact O-CA 3.29Å; L615-G703 WeakPolarHBondContact O-CA 3.33Å; G703-K705 PolarHBondContact O-N 3.47Å; G703-K706 PolarHBondContact O-N 3.21Å; G703-W778 PolarHBondContact O-NE1 2.58Å; G703-W778 VanDerWaalsContact O-NE1 3.13Å
704H78.4Confident85.4Confident114 Ų11435.4 Ų35.453%0.52816%0.162SC..THydrogen-bonded Turntrans-63.7-41.3-174.2-175.6-62.8000114.2N702N702-H704 PolarHBondContact O-N 2.94Å
705K80.3Confident84.3Confident137 Ų13740.1 Ų40.160%0.59618%0.183SC*.THydrogen-bonded Turntrans-94.97.4-179.7-67.1-171.5173.3-174.60113.3N702 G703 Y707N702-K705 PolarHBondContact O-N 3.09Å; N702-K705 WeakPolarHBondContact OD1-CB 3.4Å; N702-K705 PolarHBondContact OD1-N 2.98Å; G703-K705 PolarHBondContact O-N 3.47Å; K705-Y707 VanDerWaalsContact C-N 3.34Å; K705-Y707 HydrophobicContact CB-CD1 3.59Å; K705-Y707 HydrophobicContact CB-CE1 3.63Å; K705-Y707 HydrophobicContact CD-CE1 4.2Å; K705-Y707 HydrophobicContact CG-CE1 4.5Å; K705-Y707 PolarHBondContact O-N 2.99Å
706K86.7Confident82.7Confident96 Ų9643.1 Ų43.142%0.41720%0.201SC..THydrogen-bonded Turntrans44.752.7177.1-61.4-176.7173.1-177.40113.6N702 G703 Y774 I775 P776N702-K706 WeakPolarHBondContact O-CA 3.47Å; N702-K706 PolarHBondContact O-N 3.18Å; G703-K706 PolarHBondContact O-N 3.21Å; K706-Y774 WeakPolarHBondContact O-CA 3.32Å; K706-I775 HydrophobicContact CB-CG1 4.38Å; K706-I775 WeakPolarHBondContact CB-O 3.43Å; K706-I775 PolarHBondContact O-N 3.26Å; K706-P776 WeakPolarHBondContact CD-O 3.48Å; K706-P776 PolarHBondContact NZ-O 2.76Å
707Y87Confident81.1Confident23 Ų2348.2 Ų48.29%0.0923%0.232CC..EExtended strand (participates in β ladder)trans-137.1163171.974.4-96.8000112N702 K705 R772 F773 Y774N702-Y707 HydrophobicContact CB-CD1 3.86Å; N702-Y707 HydrophobicContact CB-CD2 4.22Å; N702-Y707 HydrophobicContact CB-CE1 3.54Å; N702-Y707 HydrophobicContact CB-CE2 3.92Å; N702-Y707 HydrophobicContact CB-CG 4.17Å; N702-Y707 PolarHBondContact N-O 3.39Å; N702-Y707 PolarHBondContact ND2-OH 3.39Å; N702-Y707 PolarHBondContact O-N 3.25Å; K705-Y707 VanDerWaalsContact C-N 3.34Å; K705-Y707 HydrophobicContact CB-CD1 3.59Å; K705-Y707 HydrophobicContact CB-CE1 3.63Å; K705-Y707 HydrophobicContact CD-CE1 4.2Å; K705-Y707 HydrophobicContact CG-CE1 4.5Å; K705-Y707 PolarHBondContact O-N 2.99Å; Y707-R772 HydrophobicContact CD2-CB 3.7Å; Y707-R772 HydrophobicContact CD2-CG 3.7Å; Y707-R772 HydrophobicContact CE2-CB 4.25Å; Y707-R772 HydrophobicContact CE2-CG 3.71Å; Y707-R772 HydrophobicContact CG-CB 4.1Å; Y707-R772 HydrophobicContact CG-CG 4.41Å; Y707-F773 CarbonylContact C-O 3.56Å; Y707-F773 WeakPolarHBondContact CA-O 3.39Å; Y707-F773 WeakPolarHBondContact CB-O 3.18Å; Y707-Y774 HydrophobicContact CD1-CD1 4.41Å; Y707-Y774 AromaticContact CD1-CE1 3.86Å; Y707-Y774 HydrophobicContact CD1-CE1 3.86Å; Y707-Y774 HydrophobicContact CG-CD1 4.43Å; Y707-Y774 HydrophobicContact CG-CE1 4.17Å
708F91.2Very high79Confident0 Ų054.2 Ų54.20%026%0.262CS..EExtended strand (participates in β ladder)trans-128.8157.4165.866.7-86.2000113L671 F674 A675 L699 A700 L701 L710 R772 F773 I775L671-F708 HydrophobicContact CD1-CD1 4.3Å; L671-F708 HydrophobicContact CD2-CD1 3.83Å; L671-F708 HydrophobicContact CD2-CD2 3.86Å; L671-F708 HydrophobicContact CD2-CE1 3.61Å; L671-F708 HydrophobicContact CD2-CE2 3.63Å; L671-F708 HydrophobicContact CD2-CG 3.95Å; L671-F708 HydrophobicContact CD2-CZ 3.5Å; L671-F708 HydrophobicContact CG-CD1 3.94Å; L671-F708 HydrophobicContact CG-CE1 3.73Å; L671-F708 HydrophobicContact CG-CG 4.49Å; L671-F708 HydrophobicContact CG-CZ 4.1Å; L671-F708 WeakPolarHBondContact O-CE1 3.45Å; L671-F708 WeakPolarHBondContact O-CZ 3.48Å; F674-F708 HydrophobicContact CB-CE1 4.4Å; A675-F708 HydrophobicContact CB-CE2 4.09Å; A675-F708 HydrophobicContact CB-CZ 3.95Å; L699-F708 HydrophobicContact CD2-CD2 3.69Å; L699-F708 HydrophobicContact CD2-CE2 4.13Å; L699-F708 HydrophobicContact CD2-CG 4.45Å; A700-F708 CarbonylContact O-C 3.57Å; A700-F708 WeakPolarHBondContact O-CA 3.22Å; L701-F708 HydrophobicContact CD2-CB 3.56Å; L701-F708 HydrophobicContact CD2-CG 4.44Å; F708-L710 HydrophobicContact CD2-CB 4.5Å; F708-L710 HydrophobicContact CE2-CB 4.4Å; F708-R772 WeakPolarHBondContact O-CA 3.27Å; F708-F773 HydrophobicContact CD1-CB 3.98Å; F708-F773 HydrophobicContact CD2-CB 4.24Å; F708-F773 AromaticContact CD2-CD2 3.85Å; F708-F773 HydrophobicContact CD2-CD2 3.85Å; F708-F773 HydrophobicContact CD2-CG 4.45Å; F708-F773 HydrophobicContact CE1-CB 3.58Å; F708-F773 HydrophobicContact CE1-CG 4.49Å; F708-F773 HydrophobicContact CE2-CB 3.87Å; F708-F773 AromaticContact CE2-CD2 3.55Å; F708-F773 HydrophobicContact CE2-CD2 3.55Å; F708-F773 HydrophobicContact CE2-CE2 4.4Å; F708-F773 AromaticContact CE2-CG 3.93Å; F708-F773 HydrophobicContact CE2-CG 3.93Å; F708-F773 HydrophobicContact CG-CB 4.3Å; F708-F773 HydrophobicContact CZ-CB 3.51Å; F708-F773 HydrophobicContact CZ-CD2 4.07Å; F708-F773 AromaticContact CZ-CG 3.95Å; F708-F773 HydrophobicContact CZ-CG 3.95Å; F708-F773 PolarHBondContact N-O 3.34Å; F708-F773 WeakPolarHBondContact O-CD2 3.46Å; F708-F773 PolarHBondContact O-N 3.05Å; F708-I775 HydrophobicContact CD1-CG2 4.18Å; F708-I775 HydrophobicContact CE1-CG2 3.91Å
709C89.6Confident76.8Confident2 Ų256.8 Ų56.81%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-110.3147163.6-54.90000108.8L699 A700 W761 L765 L770L699-C709 WeakPolarHBondContact CA-O 3.27Å; A700-C709 HydrophobicContact CB-CB 4.25Å; A700-C709 PolarHBondContact N-O 2.62Å; A700-C709 PolarHBondContact O-N 3.43Å; C709-W761 HydrophobicContact CB-CZ2 4Å; C709-L765 HydrophobicContact CB-CD1 3.92Å; C709-L770 HydrophobicContact CB-CD1 4.32Å
710L91.1Very high74.5Confident26 Ų2662.4 Ų62.414%0.13630%0.3CS..EExtended strand (participates in β ladder)trans-117.3129.4-175-178.362.8000112.1L672 A675 Y697 L699 F708 K712 W761 F773L672-L710 HydrophobicContact CD2-CD1 3.93Å; L672-L710 HydrophobicContact CD2-CD2 3.87Å; A675-L710 HydrophobicContact CB-CD2 4.3Å; Y697-L710 HydrophobicContact CD1-CD1 4.13Å; L699-L710 HydrophobicContact CD2-CD1 3.6Å; L699-L710 HydrophobicContact CG-CD1 4.47Å; F708-L710 HydrophobicContact CD2-CB 4.5Å; F708-L710 HydrophobicContact CE2-CB 4.4Å; L710-K712 VanDerWaalsContact CD2-CE 3.48Å; L710-K712 HydrophobicContact CD2-CG 4.25Å; L710-K712 HydrophobicContact CG-CG 4.23Å; L710-W761 PolarHBondContact O-NE1 2.97Å; L710-F773 HydrophobicContact CB-CD2 4.47Å; L710-F773 HydrophobicContact CB-CE2 3.92Å
711F87.9Confident72.2Confident16 Ų1669.6 Ų69.67%0.0733%0.333CS..EExtended strand (participates in β ladder)trans-102.6129.5164.6-179.9-102.7000109.3V698 L755 L758 W761V698-F711 HydrophobicContact CB-CB 3.94Å; V698-F711 HydrophobicContact CB-CD1 4.24Å; V698-F711 HydrophobicContact CB-CG 4.47Å; V698-F711 HydrophobicContact CG2-CD1 4.27Å; V698-F711 PolarHBondContact N-O 3.22Å; V698-F711 WeakPolarHBondContact O-CB 3.25Å; V698-F711 PolarHBondContact O-N 3.17Å; F711-L755 HydrophobicContact CE1-CD2 4.44Å; F711-L758 HydrophobicContact CD1-CD1 4.15Å; F711-L758 HydrophobicContact CD2-CD1 4.34Å; F711-L758 HydrophobicContact CE1-CD1 4.37Å; F711-L758 HydrophobicContact CG-CD1 4.13Å; F711-L758 HydrophobicContact CZ-CB 4.29Å; F711-W761 HydrophobicContact CB-CD2 3.87Å; F711-W761 HydrophobicContact CB-CE3 4.24Å; F711-W761 HydrophobicContact CB-CG 4.33Å; F711-W761 HydrophobicContact CB-CH2 4.19Å; F711-W761 HydrophobicContact CB-CZ2 3.83Å; F711-W761 HydrophobicContact CB-CZ3 4.38Å; F711-W761 HydrophobicContact CD2-CB 3.78Å; F711-W761 AromaticContact CD2-CD1 3.75Å; F711-W761 AromaticContact CD2-CD2 3.96Å; F711-W761 HydrophobicContact CD2-CD2 3.96Å; F711-W761 AromaticContact CD2-CG 3.57Å; F711-W761 HydrophobicContact CD2-CG 3.57Å; F711-W761 HydrophobicContact CE2-CB 4.1Å; F711-W761 HydrophobicContact CE2-CG 4.37Å; F711-W761 HydrophobicContact CG-CD2 4.31Å; F711-W761 HydrophobicContact CG-CG 4.38Å
712K85.8Confident69.7Low130 Ų13073 Ų7357%0.56536%0.362SS*.  trans-109.6130.7172-62.9-178.9-177.8174.50108.6Y697 L710Y697-K712 HydrophobicContact CD1-CG 4.44Å; Y697-K712 HydrophobicContact CE1-CG 3.98Å; L710-K712 VanDerWaalsContact CD2-CE 3.48Å; L710-K712 HydrophobicContact CD2-CG 4.25Å; L710-K712 HydrophobicContact CG-CG 4.23Å
713P78.3Confident67.3Low25 Ų2578.4 Ų78.416%0.16239%0.388CS..PPolyproline II helixtrans-62.6136.3174.429-35.7000109.7Y697 K715 K754Y697-P713 HydrophobicContact CD2-CG 3.75Å; Y697-P713 VanDerWaalsContact CE2-CD 3.45Å; Y697-P713 HydrophobicContact CE2-CG 3.74Å; P713-K715 PolarHBondContact O-N 3.35Å; P713-K754 HydrophobicContact CB-CB 4.02Å; P713-K754 HydrophobicContact CB-CG 4.21Å; P713-K754 WeakPolarHBondContact CB-O 3.44Å
714Q67.3Low65Low113 Ų11380.1 Ų80.153%0.52841%0.405SS..PPolyproline II helixtrans-73128.9168.5-69.1-160.3-90.600109.5
715K56.7Low62.9Low105 Ų10579.6 Ų79.646%0.45742%0.415SS..PPolyproline II helixtrans-64.2149.2163.2-69.1-174176-173.90109.9P713 E719 E720 M723P713-K715 PolarHBondContact O-N 3.35Å; K715-E719 WeakPolarHBondContact CA-OE2 3.41Å; K715-E720 HydrophobicContact CB-CG 4.4Å; K715-E720 HydrophobicContact CD-CG 4.03Å; K715-M723 PolarHBondContact NZ-SD 2.9Å
716T51.1Low60.6Low65 Ų6578.5 Ų78.540%0.39942%0.423SS..PPolyproline II helixtrans-86.8150.4164.5380000110.3E718 E719T716-E718 PolarHBondContact O-N 3.06Å; T716-E718 VanDerWaalsContact O-N 3.11Å; T716-E719 PolarHBondContact N-OE2 3.02Å; T716-E719 VanDerWaalsContact N-OE2 3.09Å; T716-E719 WeakPolarHBondContact O-CB 3.32Å; T716-E719 PolarHBondContact O-N 3.09Å; T716-E719 PolarHBondContact OG1-OE2 3.47Å
717V46.6Very low58.1Low107 Ų10777.9 Ų77.965%0.64843%0.431SS*.THydrogen-bonded Turntrans-53.4-37.1-175.1-177.40000112.5E719 E720V717-E719 PolarHBondContact O-N 2.93Å; V717-E719 VanDerWaalsContact O-N 3.12Å; V717-E720 PolarHBondContact O-N 3.04Å
718E44.9Very low55.4Low163 Ų16383.4 Ų83.476%0.76246%0.462SS*.Hα-helixtrans-57.3-22.4174.7-58.8176.8166.600114.1T716T716-E718 PolarHBondContact O-N 3.06Å; T716-E718 VanDerWaalsContact O-N 3.11Å
719E44.1Very low52.6Low54 Ų5491.4 Ų91.425%0.25250%0.504SS..Hα-helixtrans-89.4-13.1178.6-59.8-179.8129.400113.3K715 T716 V717 P750K715-E719 WeakPolarHBondContact CA-OE2 3.41Å; T716-E719 PolarHBondContact N-OE2 3.02Å; T716-E719 VanDerWaalsContact N-OE2 3.09Å; T716-E719 WeakPolarHBondContact O-CB 3.32Å; T716-E719 PolarHBondContact O-N 3.09Å; T716-E719 PolarHBondContact OG1-OE2 3.47Å; V717-E719 PolarHBondContact O-N 2.93Å; V717-E719 VanDerWaalsContact O-N 3.12Å; E719-P750 WeakPolarHBondContact OE1-CB 3.44Å
720E43.7Very low49.6Very low117 Ų11798.8 Ų98.855%0.54754%0.543SS..Hα-helixtrans-90-41.2179.1-61.1-166.8141.100111.1K715 V717 A722 M723 G724K715-E720 HydrophobicContact CB-CG 4.4Å; K715-E720 HydrophobicContact CD-CG 4.03Å; V717-E720 PolarHBondContact O-N 3.04Å; E720-A722 VanDerWaalsContact C-N 3.33Å; E720-A722 PolarHBondContact O-N 2.84Å; E720-M723 PolarHBondContact O-N 3.19Å; E720-M723 VanDerWaalsContact O-N 3.14Å; E720-G724 PolarHBondContact O-N 3.27Å
721E42Very low46.6Very low151 Ų151103.3 Ų103.371%0.70658%0.577SS**Hα-helixtrans-59.3-42.2173.4-63.4-174.4158.500112.2M723 S725E721-M723 PolarHBondContact O-N 3.21Å; E721-S725 PolarHBondContact O-N 3.47Å
722A39.4Very low43.8Very low73 Ų73107.8 Ų107.860%0.60361%0.61SS**Hα-helixtrans-65.6-24.4178.100000113.7E720E720-A722 VanDerWaalsContact C-N 3.33Å; E720-A722 PolarHBondContact O-N 2.84Å
723M38.2Very low41.1Very low124 Ų124110.1 Ų110.161%0.61163%0.628SS**Hα-helixtrans-92.3-34.2-178.1-165.1164.7-76.600112K715 E720 E721 S725 C726K715-M723 PolarHBondContact NZ-SD 2.9Å; E720-M723 PolarHBondContact O-N 3.19Å; E720-M723 VanDerWaalsContact O-N 3.14Å; E721-M723 PolarHBondContact O-N 3.21Å; M723-S725 VanDerWaalsContact C-N 3.28Å; M723-S725 PolarHBondContact O-N 2.96Å; M723-C726 PolarHBondContact O-N 3.45Å
724G35.1Very low38.8Very low41 Ų41117.3 Ų117.342%0.42366%0.659SS.*Hα-helixtrans-65.6-26.8173.500000113.9E720 C726 S727E720-G724 PolarHBondContact O-N 3.27Å; G724-C726 PolarHBondContact O-N 2.91Å; G724-C726 VanDerWaalsContact O-N 3.07Å; G724-S727 PolarHBondContact O-OG 3.01Å
725S33.3Very low37.1Very low104 Ų104120 Ų12073%0.72768%0.676SS**THydrogen-bonded Turntrans-69-2.4178.6-171.30000115E721 M723E721-S725 PolarHBondContact O-N 3.47Å; M723-S725 VanDerWaalsContact C-N 3.28Å; M723-S725 PolarHBondContact O-N 2.96Å
726C32.2Very low35.7Very low113 Ų113118.9 Ų118.976%0.76469%0.694SS**THydrogen-bonded Turntrans-122.5-2.1-176.2-66.90000115.2M723 G724M723-C726 PolarHBondContact O-N 3.45Å; G724-C726 PolarHBondContact O-N 2.91Å; G724-C726 VanDerWaalsContact O-N 3.07Å
727S33.8Very low34.6Very low83 Ų83124.8 Ų124.858%0.5872%0.717SS**THydrogen-bonded Turntrans-85.4-27177.550.10000113.8G724 L729G724-S727 PolarHBondContact O-OG 3.01Å; S727-L729 PolarHBondContact O-N 3.2Å
728D30.9Very low33.9Very low140 Ų140124.4 Ų124.475%0.74972%0.719SS**SBendtrans-98.743.7-159.9-71.122.6000113.2
729L32.1Very low33.1Very low168 Ų168128.3 Ų128.388%0.8873%0.727SS**  trans-154.766.1170.1-152.480.3000115.8S727S727-L729 PolarHBondContact O-N 3.2Å
730D26.9Very low32.3Very low157 Ų157129.2 Ų129.284%0.8475%0.751SS**  trans-154.5107.2148.3-140.5-16.3000113.8
731S29.4Very low31.9Very low121 Ų121133.9 Ų133.985%0.84677%0.769SS**SBendtrans166.845.515545.90000114.6
732S27.6Very low31.2Very low109 Ų109132.2 Ų132.276%0.76277%0.771SS**  trans-151.7128.2160.454.30000116.2
733L29.4Very low31Very low179 Ų179134.3 Ų134.394%0.93778%0.782SS**  trans74.2159.8160.1-61.1172.6000119.9
734H29.8Very low30.5Very low177 Ų177134.7 Ų134.782%0.81980%0.795SS**  trans-108.4154.9-166.8-92.8-83.8000113.1
735L32.6Very low30Very low170 Ų170136.2 Ų136.289%0.8981%0.811SS**  trans56.8107.3157.6-89.571.2000117.9
736G26.9Very low29.9Very low80 Ų80140.2 Ų140.283%0.82582%0.823SS**  trans-164.9147166.300000111.9
737E27.4Very low29.7Very low189 Ų189138 Ų13888%0.88382%0.82SS**  trans-85.9127.9-165.6-66.4179.7103.700116.3
738S32Very low30Very low99 Ų99139.5 Ų139.569%0.69283%0.83SS**  trans77.1155.6135.585.50000122.1
739R29Very low30.8Very low246 Ų246143.8 Ų143.893%0.92884%0.835SS**  trans70.4122.9160.3-66.6179.2171.4-175.5-1.5119.7
740G27.8Very low31.7Very low73 Ų73139.3 Ų139.375%0.75382%0.816SS**  trans116.983.5139.900000117.4P742G740-P742 WeakPolarHBondContact O-CD 3.4Å
741K33.8Very low33Very low215 Ų215134.6 Ų134.694%0.93579%0.79SS**  trans-75.3138.3154.7-76.9-173.7175-176.10109.9
742P28.6Very low34.1Very low116 Ų116138.2 Ų138.275%0.75379%0.791SS**  trans-112.6135.7137.833.9-28000110.2G740G740-P742 WeakPolarHBondContact O-CD 3.4Å
743S34.4Very low35.5Very low117 Ų117134.1 Ų134.182%0.81877%0.766SS**  trans-90.1111.4173.452.60000110.5G745S743-G745 PolarHBondContact O-N 3.08Å
744C26.8Very low37.3Very low132 Ų132127.4 Ų127.489%0.89273%0.729SS**  trans-70.8120.2167.6-71.60000109.8
745G25.3Very low39.4Very low73 Ų73119.3 Ų119.375%0.75369%0.692SS**  trans-78.2141.1-177.200000112.9S743 G747S743-G745 PolarHBondContact O-N 3.08Å; G745-G747 PolarHBondContact O-N 3.19Å
746L31.8Very low41.2Very low188 Ų188114 Ų11498%0.98467%0.669SS**  trans-76.383.9-177.6-161.874.6000111.8
747G26.7Very low43.7Very low67 Ų67115.8 Ų115.869%0.69165%0.654SS**  trans-77138.5176.900000113.4G745 R749G745-G747 PolarHBondContact O-N 3.19Å; G747-R749 PolarHBondContact O-N 2.88Å
748S39.9Very low46.4Very low113 Ų113106.8 Ų106.879%0.7961%0.612SS**  trans-82.198.4-170.359.50000115
749R47.9Very low48.8Very low231 Ų231104 Ų10487%0.87259%0.593SS**  trans-166.4128152-87.8125.2-165.7-137.96.7107.8G747G747-R749 PolarHBondContact O-N 2.88Å
750P51.7Low51.3Low73 Ų7396.9 Ų96.947%0.47457%0.572SS.*  -149.342.396.139.4-20.9000114.9E719 K752E719-P750 WeakPolarHBondContact OE1-CB 3.44Å; P750-K752 PolarHBondContact O-N 2.97Å
751I54.7Low54.2Low58 Ų5894.7 Ų94.730%0.29754%0.541SS..THydrogen-bonded Turntrans-71.63.1-174.8-55.1165.5000113.5T633 L637 K640T633-I751 HydrophobicContact CG2-CD1 4.18Å; T633-I751 HydrophobicContact CG2-CG1 4.46Å; L637-I751 HydrophobicContact CD2-CG2 3.96Å; L637-I751 HydrophobicContact CG-CG2 4.17Å; K640-I751 PolarHBondContact NZ-O 2.92Å
752K51.2Low56.6Low197 Ų19784.5 Ų84.586%0.85750%0.497SS*.THydrogen-bonded Turntrans-73.5-44.6-174.5-90.3-170.2172.7-174.40114.2K640 P750K640-K752 PolarHBondContact NZ-O 3.28Å; P750-K752 PolarHBondContact O-N 2.97Å
753G58.7Low59.1Low24 Ų2483.7 Ų83.725%0.24748%0.483CS..THydrogen-bonded Turntrans-89.1-33.2-16900000117.6L755 S756G753-L755 VanDerWaalsContact C-N 3.29Å; G753-L755 PolarHBondContact O-N 3.41Å; G753-S756 PolarHBondContact O-N 3.39Å; G753-S756 PolarHBondContact O-OG 3.5Å
754K65.8Low61.2Low38 Ų3883.6 Ų83.617%0.16547%0.465CS..THydrogen-bonded Turntrans-49.3-28.7-157.9-73.8-165.7169-169.70118.3D693 T695 P713D693-K754 IonicContact OD2-NZ 2.72Å; D693-K754 PolarHBondContact OD2-NZ 2.85Å; T695-K754 WeakPolarHBondContact O-CD 3.27Å; T695-K754 PolarHBondContact O-NZ 3.39Å; P713-K754 HydrophobicContact CB-CB 4.02Å; P713-K754 HydrophobicContact CB-CG 4.21Å; P713-K754 WeakPolarHBondContact CB-O 3.44Å
755L75.3Confident63.9Low6 Ų677.9 Ų77.93%0.03143%0.425CS..THydrogen-bonded Turntrans-1058.8-179.1-62.2-178.2000115.2L627 L637 K640 F641 G696 V698 F711 G753 K757 L758L627-L755 HydrophobicContact CD1-CD1 4.35Å; L627-L755 HydrophobicContact CD1-CD2 4.03Å; L637-L755 HydrophobicContact CD2-CD1 4.32Å; L637-L755 HydrophobicContact CD2-CG 4.35Å; K640-L755 HydrophobicContact CB-CD1 4.04Å; F641-L755 HydrophobicContact CB-CD1 3.91Å; G696-L755 WeakPolarHBondContact O-CD2 3.32Å; V698-L755 HydrophobicContact CG2-CD2 4.29Å; F711-L755 HydrophobicContact CE1-CD2 4.44Å; G753-L755 VanDerWaalsContact C-N 3.29Å; G753-L755 PolarHBondContact O-N 3.41Å; L755-K757 PolarHBondContact O-N 3.48Å; L755-L758 HydrophobicContact CD2-CD2 4.45Å; L755-L758 WeakPolarHBondContact O-CB 3.33Å; L755-L758 PolarHBondContact O-N 2.92Å
756S69.6Low66.5Low58 Ų5879 Ų7941%0.40641%0.414SS..THydrogen-bonded Turntrans-60.1136.6175.9640000111.4G753 L758G753-S756 PolarHBondContact O-N 3.39Å; G753-S756 PolarHBondContact O-OG 3.5Å; S756-L758 VanDerWaalsContact C-N 3.31Å
757K79.9Confident68.6Low119 Ų11976.8 Ų76.852%0.51740%0.398SS..THydrogen-bonded Turntrans71.511.5-176.5-47.6171-177170.90115.5L755 S759 L760 W761L755-K757 PolarHBondContact O-N 3.48Å; K757-S759 VanDerWaalsContact C-N 3.33Å; K757-S759 PolarHBondContact O-N 3.01Å; K757-L760 PolarHBondContact O-N 3.1Å; K757-W761 PolarHBondContact O-N 3.46Å; K757-W761 VanDerWaalsContact O-N 3.15Å
758L84.3Confident71Confident0 Ų074.8 Ų74.80%038%0.378CS..Hα-helixtrans-60-43.4173.1177.963000111.5F641 E644 V645 V698 F711 L755 S756 L760 W761 M762F641-L758 HydrophobicContact CD2-CD2 3.55Å; F641-L758 HydrophobicContact CE2-CD2 3.91Å; E644-L758 HydrophobicContact CB-CB 4.4Å; E644-L758 HydrophobicContact CB-CD2 4.07Å; E644-L758 HydrophobicContact CG-CB 4.41Å; V645-L758 HydrophobicContact CG2-CD2 4.14Å; V698-L758 HydrophobicContact CB-CD1 4.18Å; V698-L758 HydrophobicContact CG1-CD1 4.28Å; V698-L758 HydrophobicContact CG2-CD1 4Å; V698-L758 HydrophobicContact CG2-CD2 4.32Å; F711-L758 HydrophobicContact CD1-CD1 4.15Å; F711-L758 HydrophobicContact CD2-CD1 4.34Å; F711-L758 HydrophobicContact CE1-CD1 4.37Å; F711-L758 HydrophobicContact CG-CD1 4.13Å; F711-L758 HydrophobicContact CZ-CB 4.29Å; L755-L758 HydrophobicContact CD2-CD2 4.45Å; L755-L758 WeakPolarHBondContact O-CB 3.33Å; L755-L758 PolarHBondContact O-N 2.92Å; S756-L758 VanDerWaalsContact C-N 3.31Å; L758-L760 PolarHBondContact O-N 3.19Å; L758-W761 HydrophobicContact CD1-CE3 3.97Å; L758-W761 HydrophobicContact CD1-CZ3 4.44Å; L758-W761 WeakPolarHBondContact O-CB 3.48Å; L758-W761 PolarHBondContact O-N 3.48Å; L758-W761 VanDerWaalsContact O-N 3.1Å; L758-M762 HydrophobicContact CD1-CG 4.44Å; L758-M762 HydrophobicContact CG-CG 4.43Å; L758-M762 WeakPolarHBondContact O-CG 3.42Å; L758-M762 PolarHBondContact O-N 2.93Å
759S81.8Confident72.5Confident40 Ų4071.8 Ų71.828%0.2836%0.357SS..Hα-helixtrans-51-49.5172.832.90000113.5E644 K757 W761 M762 E763E644-S759 VanDerWaalsContact OE2-CB 3.3Å; E644-S759 WeakPolarHBondContact OE2-CB 3.4Å; E644-S759 PolarHBondContact OE2-N 3.42Å; E644-S759 PolarHBondContact OE2-OG 2.8Å; K757-S759 VanDerWaalsContact C-N 3.33Å; K757-S759 PolarHBondContact O-N 3.01Å; S759-W761 VanDerWaalsContact C-N 3.31Å; S759-W761 PolarHBondContact O-N 3.05Å; S759-M762 WeakPolarHBondContact O-CB 3.5Å; S759-M762 PolarHBondContact O-N 3.09Å; S759-M762 VanDerWaalsContact O-N 3.14Å; S759-E763 PolarHBondContact O-N 3.17Å
760L82.2Confident74.1Confident96 Ų9662 Ų6250%0.50332%0.322SS..Hα-helixtrans-64.7-32.7176.5-177.566.7000112.9K757 L758 R764K757-L760 PolarHBondContact O-N 3.1Å; L758-L760 PolarHBondContact O-N 3.19Å; L760-R764 PolarHBondContact O-N 2.85Å
761W88.2Confident75.5Confident28 Ų2864 Ų6411%0.10633%0.325CS..Hα-helixtrans-71-35.4173.5-179.894000111.8V698 A700 C709 L710 F711 K757 L758 S759 R764 L765 L770V698-W761 HydrophobicContact CG1-CH2 4.45Å; V698-W761 HydrophobicContact CG1-CZ3 4.16Å; A700-W761 HydrophobicContact CB-CH2 3.77Å; A700-W761 HydrophobicContact CB-CZ3 4.4Å; C709-W761 HydrophobicContact CB-CZ2 4Å; L710-W761 PolarHBondContact O-NE1 2.97Å; F711-W761 HydrophobicContact CB-CD2 3.87Å; F711-W761 HydrophobicContact CB-CE3 4.24Å; F711-W761 HydrophobicContact CB-CG 4.33Å; F711-W761 HydrophobicContact CB-CH2 4.19Å; F711-W761 HydrophobicContact CB-CZ2 3.83Å; F711-W761 HydrophobicContact CB-CZ3 4.38Å; F711-W761 HydrophobicContact CD2-CB 3.78Å; F711-W761 AromaticContact CD2-CD1 3.75Å; F711-W761 AromaticContact CD2-CD2 3.96Å; F711-W761 HydrophobicContact CD2-CD2 3.96Å; F711-W761 AromaticContact CD2-CG 3.57Å; F711-W761 HydrophobicContact CD2-CG 3.57Å; F711-W761 HydrophobicContact CE2-CB 4.1Å; F711-W761 HydrophobicContact CE2-CG 4.37Å; F711-W761 HydrophobicContact CG-CD2 4.31Å; F711-W761 HydrophobicContact CG-CG 4.38Å; K757-W761 PolarHBondContact O-N 3.46Å; K757-W761 VanDerWaalsContact O-N 3.15Å; L758-W761 HydrophobicContact CD1-CE3 3.97Å; L758-W761 HydrophobicContact CD1-CZ3 4.44Å; L758-W761 WeakPolarHBondContact O-CB 3.48Å; L758-W761 PolarHBondContact O-N 3.48Å; L758-W761 VanDerWaalsContact O-N 3.1Å; S759-W761 VanDerWaalsContact C-N 3.31Å; S759-W761 PolarHBondContact O-N 3.05Å; W761-R764 PolarHBondContact O-N 3.1Å; W761-L765 HydrophobicContact CH2-CD2 4.25Å; W761-L765 HydrophobicContact CZ3-CD2 3.92Å; W761-L765 WeakPolarHBondContact O-CB 3.4Å; W761-L765 PolarHBondContact O-N 2.96Å; W761-L770 HydrophobicContact CD2-CD1 3.98Å; W761-L770 HydrophobicContact CG-CD1 4.19Å; W761-L770 HydrophobicContact CZ2-CD1 3.96Å
762M83.7Confident77Confident0 Ų066.1 Ų66.10%033%0.329CS..Hα-helixtrans-66.7-35174.3-72.6-66.7-61.900112.9V625 F648 L654 F656 L758 S759 L765 L766V625-M762 HydrophobicContact CG1-SD 3.99Å; V625-M762 HydrophobicContact CG2-CE 4.16Å; V625-M762 HydrophobicContact CG2-SD 4.26Å; F648-M762 HydrophobicContact CB-CE 4.33Å; F648-M762 HydrophobicContact CD1-CB 4.34Å; F648-M762 HydrophobicContact CD2-CB 4.06Å; F648-M762 HydrophobicContact CD2-CE 4.4Å; F648-M762 HydrophobicContact CD2-CG 4.41Å; F648-M762 HydrophobicContact CE1-CB 3.92Å; F648-M762 HydrophobicContact CE2-CB 3.62Å; F648-M762 HydrophobicContact CE2-CG 4.23Å; F648-M762 HydrophobicContact CG-CB 4.41Å; F648-M762 HydrophobicContact CG-CE 4.21Å; F648-M762 HydrophobicContact CZ-CB 3.54Å; L654-M762 HydrophobicContact CD1-CE 3.7Å; F656-M762 HydrophobicContact CE1-CE 4.04Å; F656-M762 HydrophobicContact CZ-CE 4.46Å; L758-M762 HydrophobicContact CD1-CG 4.44Å; L758-M762 HydrophobicContact CG-CG 4.43Å; L758-M762 WeakPolarHBondContact O-CG 3.42Å; L758-M762 PolarHBondContact O-N 2.93Å; S759-M762 WeakPolarHBondContact O-CB 3.5Å; S759-M762 PolarHBondContact O-N 3.09Å; S759-M762 VanDerWaalsContact O-N 3.14Å; M762-L765 HydrophobicContact CE-CD2 4.3Å; M762-L765 WeakPolarHBondContact O-CB 3.4Å; M762-L765 PolarHBondContact O-N 3Å; M762-L765 HydrophobicContact SD-CD2 3.83Å; M762-L766 PolarHBondContact O-N 3.2Å
763E81.8Confident78.5Confident99 Ų9957.7 Ų57.746%0.46329%0.292SS..Hα-helixtrans-62-52.4171.3-69.9169.6164.400110.5F648 S759 L765 L766 E767F648-E763 HydrophobicContact CE1-CG 4.11Å; F648-E763 HydrophobicContact CZ-CG 4Å; S759-E763 PolarHBondContact O-N 3.17Å; E763-L765 VanDerWaalsContact C-N 3.25Å; E763-L765 PolarHBondContact O-N 3.22Å; E763-L766 PolarHBondContact O-N 2.94Å; E763-E767 PolarHBondContact O-N 3.13Å
764R78.9Confident79.6Confident116 Ų11662.4 Ų62.444%0.43830%0.303SS..Hα-helixtrans-61.3-30.4176.4-71.9-170.461-170.9-5.4114.2L760 W761 L766 G768 S769 L770L760-R764 PolarHBondContact O-N 2.85Å; W761-R764 PolarHBondContact O-N 3.1Å; R764-L766 VanDerWaalsContact C-N 3.34Å; R764-G768 PolarHBondContact O-N 3.27Å; R764-G768 VanDerWaalsContact O-N 3.08Å; R764-S769 VanDerWaalsContact CB-OG 3.32Å; R764-S769 WeakPolarHBondContact CB-OG 3.43Å; R764-S769 WeakPolarHBondContact CG-OG 3.28Å; R764-S769 PolarHBondContact NE-OG 3.04Å; R764-S769 PolarHBondContact NH2-O 2.84Å; R764-S769 PolarHBondContact O-N 3.37Å; R764-S769 PolarHBondContact O-OG 3.48Å; R764-L770 HydrophobicContact CB-CD2 3.85Å; R764-L770 HydrophobicContact CB-CG 4.05Å
765L82.4Confident80.3Confident11 Ų1161 Ų616%0.05830%0.298CS..Hα-helixtrans-64.3-39.2173.2179.666.3000111.5M623 V625 A700 C709 W761 M762 E763 G768 L770M623-L765 HydrophobicContact CE-CD1 3.75Å; M623-L765 HydrophobicContact CE-CD2 3.8Å; M623-L765 HydrophobicContact CE-CG 3.61Å; M623-L765 HydrophobicContact SD-CD1 4.05Å; V625-L765 HydrophobicContact CG2-CD2 4.13Å; A700-L765 HydrophobicContact CB-CD1 3.69Å; A700-L765 HydrophobicContact CB-CD2 3.54Å; A700-L765 HydrophobicContact CB-CG 4.27Å; C709-L765 HydrophobicContact CB-CD1 3.92Å; W761-L765 HydrophobicContact CH2-CD2 4.25Å; W761-L765 HydrophobicContact CZ3-CD2 3.92Å; W761-L765 WeakPolarHBondContact O-CB 3.4Å; W761-L765 PolarHBondContact O-N 2.96Å; M762-L765 HydrophobicContact CE-CD2 4.3Å; M762-L765 WeakPolarHBondContact O-CB 3.4Å; M762-L765 PolarHBondContact O-N 3Å; M762-L765 HydrophobicContact SD-CD2 3.83Å; E763-L765 VanDerWaalsContact C-N 3.25Å; E763-L765 PolarHBondContact O-N 3.22Å; L765-G768 PolarHBondContact O-N 2.96Å; L765-L770 HydrophobicContact CB-CD1 3.71Å; L765-L770 HydrophobicContact CD1-CD1 3.94Å; L765-L770 HydrophobicContact CG-CD1 4.43Å
766L79.8Confident80.2Confident97 Ų9763.7 Ų63.751%0.50832%0.315SS..Hα-helixtrans-78-34.7178.1-71.5171.4000113.1F648 L654 M762 E763 R764 G768F648-L766 HydrophobicContact CD1-CD1 3.75Å; F648-L766 HydrophobicContact CE1-CD1 4.1Å; L654-L766 HydrophobicContact CD1-CD1 4.46Å; L654-L766 HydrophobicContact CD1-CD2 4.15Å; L654-L766 HydrophobicContact CD2-CD2 4.46Å; L654-L766 HydrophobicContact CG-CD2 4.46Å; M762-L766 PolarHBondContact O-N 3.2Å; E763-L766 PolarHBondContact O-N 2.94Å; R764-L766 VanDerWaalsContact C-N 3.34Å; L766-G768 PolarHBondContact O-N 3.13Å
767E77.1Confident80.7Confident141 Ų14163.6 Ų63.666%0.65932%0.315SS*.Hα-helixtrans-60-25164.8-65.2174.1164.900112.3E763 S769E763-E767 PolarHBondContact O-N 3.13Å; E767-S769 VanDerWaalsContact C-N 3.32Å; E767-S769 WeakPolarHBondContact OE2-CB 3.13Å; E767-S769 PolarHBondContact OE2-OG 3.36Å
768G75.4Confident80.8Confident25 Ų2559.2 Ų59.226%0.25830%0.295SS..THydrogen-bonded Turntrans77.213.8-17100000114.1R764 L765 L766 L770 R772R764-G768 PolarHBondContact O-N 3.27Å; R764-G768 VanDerWaalsContact O-N 3.08Å; L765-G768 PolarHBondContact O-N 2.96Å; L766-G768 PolarHBondContact O-N 3.13Å; G768-L770 PolarHBondContact O-N 3.28Å; G768-R772 PolarHBondContact O-NH2 3Å
769S72.7Confident80.8Confident50 Ų5060.3 Ų60.335%0.3530%0.302SS..  trans-81.518.7-175.6730000114.5R764 E767R764-S769 VanDerWaalsContact CB-OG 3.32Å; R764-S769 WeakPolarHBondContact CB-OG 3.43Å; R764-S769 WeakPolarHBondContact CG-OG 3.28Å; R764-S769 PolarHBondContact NE-OG 3.04Å; R764-S769 PolarHBondContact NH2-O 2.84Å; R764-S769 PolarHBondContact O-N 3.37Å; R764-S769 PolarHBondContact O-OG 3.48Å; E767-S769 VanDerWaalsContact C-N 3.32Å; E767-S769 WeakPolarHBondContact OE2-CB 3.13Å; E767-S769 PolarHBondContact OE2-OG 3.36Å
770L80.8Confident80.6Confident26 Ų2666.4 Ų66.414%0.13633%0.326CS..SBendtrans-108152.6179.4-64.2-177.3000112.8C709 W761 R764 L765 G768C709-L770 HydrophobicContact CB-CD1 4.32Å; W761-L770 HydrophobicContact CD2-CD1 3.98Å; W761-L770 HydrophobicContact CG-CD1 4.19Å; W761-L770 HydrophobicContact CZ2-CD1 3.96Å; R764-L770 HydrophobicContact CB-CD2 3.85Å; R764-L770 HydrophobicContact CB-CG 4.05Å; L765-L770 HydrophobicContact CB-CD1 3.71Å; L765-L770 HydrophobicContact CD1-CD1 3.94Å; L765-L770 HydrophobicContact CG-CD1 4.43Å; G768-L770 PolarHBondContact O-N 3.28Å
771Q81.3Confident80.3Confident116 Ų11662.2 Ų62.254%0.54230%0.304SS..  trans-63.9135.3171.6-172.8175.214.100111F773Q771-F773 HydrophobicContact CB-CZ 4.32Å; Q771-F773 VanDerWaalsContact CD-CZ 3.45Å; Q771-F773 HydrophobicContact CG-CE1 3.92Å; Q771-F773 HydrophobicContact CG-CE2 4.28Å; Q771-F773 HydrophobicContact CG-CZ 3.75Å
772R85.8Confident78.7Confident101 Ų10170.1 Ų70.138%0.38135%0.348SS..  trans-116.2123.2-179-60.7177-166.7147.711.4109.7Y707 F708 G768 Y774Y707-R772 HydrophobicContact CD2-CB 3.7Å; Y707-R772 HydrophobicContact CD2-CG 3.7Å; Y707-R772 HydrophobicContact CE2-CB 4.25Å; Y707-R772 HydrophobicContact CE2-CG 3.71Å; Y707-R772 HydrophobicContact CG-CB 4.1Å; Y707-R772 HydrophobicContact CG-CG 4.41Å; F708-R772 WeakPolarHBondContact O-CA 3.27Å; G768-R772 PolarHBondContact O-NH2 3Å; R772-Y774 HydrophobicContact CB-CE2 3.93Å
773F82.8Confident78.4Confident20 Ų2073.6 Ų73.69%0.08837%0.366CS..EExtended strand (participates in β ladder)trans-99.3114.1178.3-53.2-79.8000108.6A675 A678 Y707 F708 L710 Q771A675-F773 HydrophobicContact CB-CD1 3.94Å; A675-F773 HydrophobicContact CB-CD2 4.35Å; A675-F773 HydrophobicContact CB-CE1 3.98Å; A675-F773 HydrophobicContact CB-CE2 4.41Å; A675-F773 HydrophobicContact CB-CG 4.13Å; A675-F773 HydrophobicContact CB-CZ 4.23Å; A678-F773 HydrophobicContact CB-CD1 4.15Å; A678-F773 HydrophobicContact CB-CE1 3.94Å; Y707-F773 CarbonylContact C-O 3.56Å; Y707-F773 WeakPolarHBondContact CA-O 3.39Å; Y707-F773 WeakPolarHBondContact CB-O 3.18Å; F708-F773 HydrophobicContact CD1-CB 3.98Å; F708-F773 HydrophobicContact CD2-CB 4.24Å; F708-F773 AromaticContact CD2-CD2 3.85Å; F708-F773 HydrophobicContact CD2-CD2 3.85Å; F708-F773 HydrophobicContact CD2-CG 4.45Å; F708-F773 HydrophobicContact CE1-CB 3.58Å; F708-F773 HydrophobicContact CE1-CG 4.49Å; F708-F773 HydrophobicContact CE2-CB 3.87Å; F708-F773 AromaticContact CE2-CD2 3.55Å; F708-F773 HydrophobicContact CE2-CD2 3.55Å; F708-F773 HydrophobicContact CE2-CE2 4.4Å; F708-F773 AromaticContact CE2-CG 3.93Å; F708-F773 HydrophobicContact CE2-CG 3.93Å; F708-F773 HydrophobicContact CG-CB 4.3Å; F708-F773 HydrophobicContact CZ-CB 3.51Å; F708-F773 HydrophobicContact CZ-CD2 4.07Å; F708-F773 AromaticContact CZ-CG 3.95Å; F708-F773 HydrophobicContact CZ-CG 3.95Å; F708-F773 PolarHBondContact N-O 3.34Å; F708-F773 WeakPolarHBondContact O-CD2 3.46Å; F708-F773 PolarHBondContact O-N 3.05Å; L710-F773 HydrophobicContact CB-CD2 4.47Å; L710-F773 HydrophobicContact CB-CE2 3.92Å; Q771-F773 HydrophobicContact CB-CZ 4.32Å; Q771-F773 VanDerWaalsContact CD-CZ 3.45Å; Q771-F773 HydrophobicContact CG-CE1 3.92Å; Q771-F773 HydrophobicContact CG-CE2 4.28Å; Q771-F773 HydrophobicContact CG-CZ 3.75Å
774Y81.6Confident78.3Confident124 Ų12472.3 Ų72.349%0.48636%0.361SS..EExtended strand (participates in β ladder)trans-95.8128.8-173.8-68.9-93.1000111.9K706 Y707 R772K706-Y774 WeakPolarHBondContact O-CA 3.32Å; Y707-Y774 HydrophobicContact CD1-CD1 4.41Å; Y707-Y774 AromaticContact CD1-CE1 3.86Å; Y707-Y774 HydrophobicContact CD1-CE1 3.86Å; Y707-Y774 HydrophobicContact CG-CD1 4.43Å; Y707-Y774 HydrophobicContact CG-CE1 4.17Å; R772-Y774 HydrophobicContact CB-CE2 3.93Å
775I81Confident78.2Confident8 Ų869.8 Ų69.84%0.04136%0.357CS..  trans-113.2150.3-176.265.6177.1000111.4F674 K706 F708 S777 W778F674-I775 HydrophobicContact CB-CG2 4.04Å; F674-I775 HydrophobicContact CD1-CG2 4.33Å; F674-I775 HydrophobicContact CD2-CG2 3.82Å; F674-I775 HydrophobicContact CE2-CG2 4.39Å; F674-I775 HydrophobicContact CG-CG2 3.79Å; K706-I775 HydrophobicContact CB-CG1 4.38Å; K706-I775 WeakPolarHBondContact CB-O 3.43Å; K706-I775 PolarHBondContact O-N 3.26Å; F708-I775 HydrophobicContact CD1-CG2 4.18Å; F708-I775 HydrophobicContact CE1-CG2 3.91Å; I775-S777 WeakPolarHBondContact CD1-O 3.13Å; I775-W778 HydrophobicContact CD1-CD2 3.64Å; I775-W778 HydrophobicContact CD1-CE3 3.38Å; I775-W778 HydrophobicContact CD1-CG 4.33Å; I775-W778 HydrophobicContact CD1-CH2 3.82Å; I775-W778 HydrophobicContact CD1-CZ2 4.07Å; I775-W778 HydrophobicContact CD1-CZ3 3.48Å; I775-W778 VanDerWaalsContact CD1-CZ3 3.48Å
776P72.8Confident78Confident62 Ų6273.3 Ų73.340%0.40337%0.374SS..SBendtrans-70.4-37.9-178.427.4-33.8000112.7F674 K706F674-P776 HydrophobicContact CE1-CG 4.44Å; F674-P776 HydrophobicContact CZ-CG 4.38Å; K706-P776 WeakPolarHBondContact CD-O 3.48Å; K706-P776 PolarHBondContact NZ-O 2.76Å
777S80Confident77.9Confident56 Ų5671.8 Ų71.839%0.39237%0.366SS..SBendtrans-149.7152.5-179.542.30000109.2I775I775-S777 WeakPolarHBondContact CD1-O 3.13Å
778W82.7Confident77.9Confident27 Ų2767.2 Ų67.210%0.10235%0.346CS..PPolyproline II helixtrans-75123.7166.4-71108000107.8L615 L671 L701 N702 G703 I775L615-W778 HydrophobicContact CD1-CD2 4.46Å; L615-W778 HydrophobicContact CD1-CH2 4.25Å; L615-W778 HydrophobicContact CD1-CZ2 3.95Å; L615-W778 HydrophobicContact CD2-CD2 3.61Å; L615-W778 HydrophobicContact CD2-CE3 3.37Å; L615-W778 HydrophobicContact CD2-CG 4.31Å; L615-W778 HydrophobicContact CD2-CH2 4.12Å; L615-W778 HydrophobicContact CD2-CZ2 4.3Å; L615-W778 HydrophobicContact CD2-CZ3 3.65Å; L615-W778 HydrophobicContact CG-CD2 4.01Å; L615-W778 HydrophobicContact CG-CE3 4.26Å; L615-W778 HydrophobicContact CG-CG 4.48Å; L615-W778 HydrophobicContact CG-CZ2 4.4Å; L671-W778 HydrophobicContact CD1-CZ3 3.86Å; L701-W778 HydrophobicContact CB-CH2 3.9Å; L701-W778 HydrophobicContact CB-CZ3 4.35Å; L701-W778 HydrophobicContact CD1-CZ3 4.45Å; L701-W778 HydrophobicContact CD2-CH2 3.97Å; L701-W778 HydrophobicContact CD2-CZ3 3.98Å; L701-W778 HydrophobicContact CG-CH2 4.43Å; N702-W778 WeakPolarHBondContact O-CZ2 3.36Å; G703-W778 PolarHBondContact O-NE1 2.58Å; G703-W778 VanDerWaalsContact O-NE1 3.13Å; I775-W778 HydrophobicContact CD1-CD2 3.64Å; I775-W778 HydrophobicContact CD1-CE3 3.38Å; I775-W778 HydrophobicContact CD1-CG 4.33Å; I775-W778 HydrophobicContact CD1-CH2 3.82Å; I775-W778 HydrophobicContact CD1-CZ2 4.07Å; I775-W778 HydrophobicContact CD1-CZ3 3.48Å; I775-W778 VanDerWaalsContact CD1-CZ3 3.48Å
779P83.4Confident78.1Confident24 Ų2470.2 Ų70.216%0.15635%0.353CS..PPolyproline II helixtrans-65.8152.9176.528-34.6000110.4Y611 W667 Y670Y611-P779 WeakPolarHBondContact CE1-O 3.38Å; Y611-P779 VanDerWaalsContact CZ-O 3.22Å; Y611-P779 PolarHBondContact OH-O 3.22Å; W667-P779 HydrophobicContact CG-CG 4.41Å; W667-P779 PolarHBondContact NE1-O 2.97Å; Y670-P779 HydrophobicContact CD1-CB 3.9Å; Y670-P779 HydrophobicContact CD1-CG 3.72Å; Y670-P779 HydrophobicContact CE1-CB 3.95Å; Y670-P779 HydrophobicContact CE1-CG 3.98Å
780E78.3Confident78.5Confident167 Ų16771.8 Ų71.878%0.7835%0.353SS*.PPolyproline II helixtrans-73.4153.4177.1-60.2-170.4143.200110.6
781L75.2Confident78.3Confident8 Ų875.6 Ų75.64%0.04237%0.371CS..  trans-123.575.8-165.8-160.2159.6000109L606 Y611 L659 H664 W667L606-L781 HydrophobicContact CD2-CD1 4.17Å; L606-L781 HydrophobicContact CG-CD1 4.19Å; Y611-L781 HydrophobicContact CD1-CB 3.74Å; Y611-L781 HydrophobicContact CD1-CD1 4.37Å; Y611-L781 HydrophobicContact CD2-CB 4.35Å; Y611-L781 HydrophobicContact CD2-CD1 3.45Å; Y611-L781 VanDerWaalsContact CD2-CD1 3.45Å; Y611-L781 HydrophobicContact CE1-CB 3.97Å; Y611-L781 HydrophobicContact CE2-CD1 3.75Å; Y611-L781 HydrophobicContact CG-CB 3.92Å; Y611-L781 HydrophobicContact CG-CD1 3.77Å; Y611-L781 HydrophobicContact CG-CG 4.46Å; L659-L781 HydrophobicContact CD1-CD1 4.17Å; H664-L781 VanDerWaalsContact CE1-CD2 3.47Å; H664-L781 WeakPolarHBondContact CE1-CD2 3.47Å; H664-L781 WeakPolarHBondContact ND1-CD2 3.46Å; W667-L781 HydrophobicContact CD2-CD1 4.29Å; W667-L781 HydrophobicContact CG-CD1 4.43Å; W667-L781 HydrophobicContact CG-CG 4.34Å
782D54.9Low78Confident194 Ų19471.9 Ų71.9100%1.03736%0.355SS*.  trans-72.40175.7-63-27.1000112.6H664H664-D782 PolarHBondContact CE1-O 3.18Å; H664-D782 PolarHBondContact ND1-O 3.46Å

Retrieved 782 of 782 residues in 139.8 ms (Link to these results)

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