A0A077Z927_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A077Z927, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 468 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
1M50.9Low80.3Confident185 Ų18573.2 Ų73.291%0.91140%0.404SS*.  0128.70-79.9178.6-94.900105.7
2S69Low79.1Confident93 Ų9372 Ų7265%0.6540%0.404SS*.  trans-70.8136.3-176.648.90000110.3
3C85.3Confident76.4Confident8 Ų879.2 Ų79.25%0.05444%0.442CS..  trans-89.8105.8175.2176.30000109H5 V6 E7 V97C3-H5 PolarHBondContact O-N 3.07Å; C3-H5 VanDerWaalsContact O-N 3.12Å; C3-V6 HydrophobicContact CB-CB 4.14Å; C3-V6 HydrophobicContact CB-CG2 4.33Å; C3-V6 PolarHBondContact O-N 3.29Å; C3-E7 PolarHBondContact O-N 3.12Å; C3-V97 HydrophobicContact CB-CB 4.26Å; C3-V97 HydrophobicContact CB-CG1 3.56Å; C3-V97 HydrophobicContact CB-CG2 3.75Å
4N88.7Confident74.1Confident113 Ų11383.9 Ų83.960%0.60446%0.458SS*.Hα-helixtrans-57.5-28.9178.3-72.7-6.1000112.6V6 E7 T8N4-V6 VanDerWaalsContact C-N 3.33Å; N4-V6 PolarHBondContact O-N 3.35Å; N4-E7 PolarHBondContact O-N 3.36Å; N4-T8 PolarHBondContact O-N 2.92Å; N4-T8 PolarHBondContact O-OG1 3.29Å
5H90.6Very high71.5Confident54 Ų5491.3 Ų91.325%0.2548%0.484CS..Hα-helixtrans-65.8-36.9176.2-49.3113000112.1C3 T8 E9 W79 R92 C93C3-H5 PolarHBondContact O-N 3.07Å; C3-H5 VanDerWaalsContact O-N 3.12Å; H5-T8 PolarHBondContact O-N 3.18Å; H5-E9 WeakPolarHBondContact O-CG 3.33Å; H5-E9 PolarHBondContact O-N 3.23Å; H5-W79 HydrophobicContact CB-CH2 3.72Å; H5-W79 HydrophobicContact CB-CZ2 4.01Å; H5-R92 WeakPolarHBondContact CE1-CB 3.49Å; H5-C93 PolarHBondContact ND1-SG 2.87Å
6V88.1Confident69.1Low0 Ų096.3 Ų96.30%051%0.509CS..Hα-helixtrans-69.8-41.6175.31550000110.8C3 N4 T8 E9 K10 F20 W79 L88 V97 D99 L102C3-V6 HydrophobicContact CB-CB 4.14Å; C3-V6 HydrophobicContact CB-CG2 4.33Å; C3-V6 PolarHBondContact O-N 3.29Å; N4-V6 VanDerWaalsContact C-N 3.33Å; N4-V6 PolarHBondContact O-N 3.35Å; V6-T8 VanDerWaalsContact C-N 3.27Å; V6-T8 PolarHBondContact O-N 3.46Å; V6-E9 PolarHBondContact O-N 3.17Å; V6-K10 HydrophobicContact CG1-CD 4.3Å; V6-K10 HydrophobicContact CG1-CG 4.42Å; V6-K10 WeakPolarHBondContact O-CB 3.48Å; V6-K10 WeakPolarHBondContact O-CG 3.42Å; V6-K10 PolarHBondContact O-N 2.89Å; V6-F20 HydrophobicContact CG2-CE1 4.34Å; V6-F20 HydrophobicContact CG2-CZ 4.38Å; V6-W79 HydrophobicContact CB-CH2 4.27Å; V6-W79 HydrophobicContact CG2-CE3 4.46Å; V6-W79 HydrophobicContact CG2-CH2 3.35Å; V6-W79 HydrophobicContact CG2-CZ2 4.4Å; V6-W79 HydrophobicContact CG2-CZ3 3.39Å; V6-L88 HydrophobicContact CG2-CD2 3.74Å; V6-V97 HydrophobicContact CB-CG1 4.26Å; V6-V97 HydrophobicContact CG2-CB 4.39Å; V6-V97 HydrophobicContact CG2-CG1 3.82Å; V6-V97 HydrophobicContact CG2-CG2 4.12Å; V6-D99 HydrophobicContact CG1-CB 4.28Å; V6-L102 HydrophobicContact CG1-CD1 3.71Å; V6-L102 HydrophobicContact CG2-CD1 4.32Å
7E85.7Confident67.3Low83 Ų8394.6 Ų94.639%0.38852%0.52SS..Hα-helixtrans-56.7-43.4172.2-77.8-67.913700111.3C3 N4 K10 C11C3-E7 PolarHBondContact O-N 3.12Å; N4-E7 PolarHBondContact O-N 3.36Å; E7-K10 PolarHBondContact O-N 3.26Å; E7-K10 IonicContact OE1-NZ 3.78Å; E7-K10 PolarHBondContact OE1-NZ 3.38Å; E7-C11 WeakPolarHBondContact O-CB 3.3Å; E7-C11 PolarHBondContact O-N 2.68Å; E7-C11 PolarHBondContact O-SG 3.03Å
8T86.6Confident66.5Low94 Ų94100.7 Ų100.758%0.57753%0.534SS*.Hα-helixtrans-62.7-48.3178.7-42.90000111.2N4 H5 V6 K10 C11 S12N4-T8 PolarHBondContact O-N 2.92Å; N4-T8 PolarHBondContact O-OG1 3.29Å; H5-T8 PolarHBondContact O-N 3.18Å; V6-T8 VanDerWaalsContact C-N 3.27Å; V6-T8 PolarHBondContact O-N 3.46Å; T8-K10 VanDerWaalsContact C-N 3.31Å; T8-K10 PolarHBondContact O-N 3.35Å; T8-C11 PolarHBondContact O-N 3.4Å; T8-S12 PolarHBondContact O-N 3.39Å; T8-S12 VanDerWaalsContact O-N 3.11Å; T8-S12 PolarHBondContact O-OG 3.03Å
9E85.7Confident66.9Low61 Ų6198.4 Ų98.429%0.28552%0.522SS..Hα-helixtrans-61.9-38177.2-70.1-73.818000112.1H5 V6 C11 S12 F20 W79H5-E9 WeakPolarHBondContact O-CG 3.33Å; H5-E9 PolarHBondContact O-N 3.23Å; V6-E9 PolarHBondContact O-N 3.17Å; E9-C11 VanDerWaalsContact C-N 3.32Å; E9-C11 PolarHBondContact O-N 2.84Å; E9-S12 VanDerWaalsContact C-OG 3.29Å; E9-S12 VanDerWaalsContact CA-OG 3.25Å; E9-S12 WeakPolarHBondContact CA-OG 3.45Å; E9-S12 PolarHBondContact O-N 2.93Å; E9-S12 PolarHBondContact O-OG 3.35Å; E9-F20 HydrophobicContact CB-CB 4.09Å; E9-F20 HydrophobicContact CB-CD1 4.43Å; E9-F20 HydrophobicContact CB-CD2 3.76Å; E9-F20 HydrophobicContact CB-CE2 4.31Å; E9-F20 HydrophobicContact CB-CG 3.83Å; E9-F20 HydrophobicContact CG-CD2 3.98Å; E9-F20 HydrophobicContact CG-CE2 4.22Å; E9-W79 HydrophobicContact CG-CZ2 3.57Å; E9-W79 PolarHBondContact OE1-NE1 3.1Å
10K79.3Confident67.7Low21 Ų2194.1 Ų94.19%0.09150%0.499CS..Hα-helixtrans-66.9-30.4177.6-83.1-166.6-85.4169.90113.3V6 E7 T8 R21 D99 E101V6-K10 HydrophobicContact CG1-CD 4.3Å; V6-K10 HydrophobicContact CG1-CG 4.42Å; V6-K10 WeakPolarHBondContact O-CB 3.48Å; V6-K10 WeakPolarHBondContact O-CG 3.42Å; V6-K10 PolarHBondContact O-N 2.89Å; E7-K10 PolarHBondContact O-N 3.26Å; E7-K10 IonicContact OE1-NZ 3.78Å; E7-K10 PolarHBondContact OE1-NZ 3.38Å; T8-K10 VanDerWaalsContact C-N 3.31Å; T8-K10 PolarHBondContact O-N 3.35Å; K10-R21 PolarHBondContact O-NH1 2.97Å; K10-D99 IonicContact NZ-OD1 3.38Å; K10-D99 PolarHBondContact NZ-OD1 3.5Å; K10-D99 IonicContact NZ-OD2 3.44Å; K10-D99 PolarHBondContact NZ-OD2 3.12Å; K10-E101 VanDerWaalsContact CD-OE2 3.24Å; K10-E101 WeakPolarHBondContact CD-OE2 3.43Å; K10-E101 IonicContact NZ-OE2 3.35Å
11C73.5Confident68.5Low93 Ų9392.8 Ų92.863%0.62849%0.487SS*.Hα-helixtrans-89.5-16.3179.9-73.40000114.1E7 T8 E9 N13E7-C11 WeakPolarHBondContact O-CB 3.3Å; E7-C11 PolarHBondContact O-N 2.68Å; E7-C11 PolarHBondContact O-SG 3.03Å; T8-C11 PolarHBondContact O-N 3.4Å; E9-C11 VanDerWaalsContact C-N 3.32Å; E9-C11 PolarHBondContact O-N 2.84Å; C11-N13 VanDerWaalsContact C-N 3.3Å; C11-N13 PolarHBondContact O-N 2.92Å
12S65.7Low69.7Low59 Ų5986.1 Ų86.141%0.41346%0.458SS..  trans-65.290.5173.39.60000110.2T8 E9 E14T8-S12 PolarHBondContact O-N 3.39Å; T8-S12 VanDerWaalsContact O-N 3.11Å; T8-S12 PolarHBondContact O-OG 3.03Å; E9-S12 VanDerWaalsContact C-OG 3.29Å; E9-S12 VanDerWaalsContact CA-OG 3.25Å; E9-S12 WeakPolarHBondContact CA-OG 3.45Å; E9-S12 PolarHBondContact O-N 2.93Å; E9-S12 PolarHBondContact O-OG 3.35Å; S12-E14 PolarHBondContact O-N 3.38Å
13N43.6Very low70.3Confident166 Ų16683.9 Ų83.989%0.88844%0.441SS*.  trans-64.382.9169.2-97.3-23.3000109.2C11C11-N13 VanDerWaalsContact C-N 3.3Å; C11-N13 PolarHBondContact O-N 2.92Å
14E44.2Very low70.5Confident145 Ų14583.6 Ų83.668%0.67844%0.438SS*.  trans-110.6122.5168.6-73.8-156.8160.200112.9S12S12-E14 PolarHBondContact O-N 3.38Å
15K35Very low70.3Confident194 Ų19480.3 Ų80.384%0.84342%0.421SS*.  trans-42.4129.7172.5-70.5167.1172.61740111.9
16I34.3Very low69.7Low171 Ų17186.7 Ų86.788%0.87744%0.442SS*.SBendtrans60.190.7154.6-51.7170.1000114
17G37.7Very low69.6Low68 Ų6887.5 Ų87.570%0.70145%0.447SS*.SBendtrans935.915500000117.9
18R52.4Low69.6Low204 Ų20483.5 Ų83.577%0.7743%0.429SS*.  trans-130.928.8175.9-69.6-171.7-176.7176.71.7113.8F20R18-F20 PolarHBondContact O-N 3.19Å
19D74.4Confident69.3Low57 Ų5782.6 Ų82.631%0.30542%0.415SS..  trans-65.6129.7169.3143.455.4000109.2R21 S22 V23D19-R21 PolarHBondContact O-N 3.06Å; D19-R21 WeakPolarHBondContact OD1-CB 3.44Å; D19-R21 WeakPolarHBondContact OD1-CG 3.47Å; D19-R21 PolarHBondContact OD1-N 3.25Å; D19-R21 IonicContact OD1-NH1 3.59Å; D19-S22 WeakPolarHBondContact CB-OG 3.27Å; D19-S22 PolarHBondContact O-N 3.21Å; D19-S22 VanDerWaalsContact O-N 3.17Å; D19-S22 PolarHBondContact O-OG 2.9Å; D19-S22 VanDerWaalsContact OD2-CB 3.29Å; D19-S22 WeakPolarHBondContact OD2-CB 3.3Å; D19-S22 PolarHBondContact OD2-N 2.92Å; D19-S22 PolarHBondContact OD2-OG 2.76Å; D19-V23 PolarHBondContact O-N 2.89Å
20F83.5Confident68.9Low13 Ų1384 Ų846%0.05742%0.424CS..Hα-helixtrans-53.5-38.3-178.2-174.2-95000112.4V6 E9 R18 V23 Y24 M55 W79 L88 L102V6-F20 HydrophobicContact CG2-CE1 4.34Å; V6-F20 HydrophobicContact CG2-CZ 4.38Å; E9-F20 HydrophobicContact CB-CB 4.09Å; E9-F20 HydrophobicContact CB-CD1 4.43Å; E9-F20 HydrophobicContact CB-CD2 3.76Å; E9-F20 HydrophobicContact CB-CE2 4.31Å; E9-F20 HydrophobicContact CB-CG 3.83Å; E9-F20 HydrophobicContact CG-CD2 3.98Å; E9-F20 HydrophobicContact CG-CE2 4.22Å; R18-F20 PolarHBondContact O-N 3.19Å; F20-V23 PolarHBondContact O-N 3.35Å; F20-Y24 VanDerWaalsContact O-CB 3.31Å; F20-Y24 WeakPolarHBondContact O-CB 3.39Å; F20-Y24 PolarHBondContact O-N 3.24Å; F20-M55 HydrophobicContact CD2-CE 4.22Å; F20-M55 HydrophobicContact CE2-CE 3.81Å; F20-M55 HydrophobicContact CZ-CE 3.98Å; F20-M55 HydrophobicContact CZ-SD 4.34Å; F20-W79 AromaticContact CE2-CD1 3.74Å; F20-W79 AromaticContact CE2-CD2 3.64Å; F20-W79 HydrophobicContact CE2-CD2 3.64Å; F20-W79 AromaticContact CE2-CE2 3.6Å; F20-W79 HydrophobicContact CE2-CE3 4.24Å; F20-W79 AromaticContact CE2-CG 3.76Å; F20-W79 HydrophobicContact CE2-CG 3.76Å; F20-W79 HydrophobicContact CE2-CZ2 4.2Å; F20-W79 AromaticContact CE2-NE1 3.62Å; F20-W79 AromaticContact CZ-CD2 3.82Å; F20-W79 HydrophobicContact CZ-CD2 3.82Å; F20-W79 AromaticContact CZ-CE3 3.94Å; F20-W79 HydrophobicContact CZ-CE3 3.94Å; F20-W79 HydrophobicContact CZ-CG 4.25Å; F20-W79 HydrophobicContact CZ-CH2 4.47Å; F20-W79 HydrophobicContact CZ-CZ2 4.39Å; F20-W79 HydrophobicContact CZ-CZ3 4.25Å; F20-L88 HydrophobicContact CE1-CD2 3.97Å; F20-L88 HydrophobicContact CZ-CD1 4.31Å; F20-L88 HydrophobicContact CZ-CD2 3.89Å; F20-L102 HydrophobicContact CE1-CD1 3.93Å; F20-L102 HydrophobicContact CE1-CD2 4.44Å
21R83.6Confident69Low67 Ų6783.5 Ų83.525%0.25342%0.423SS..Hα-helixtrans-64.7-49.5179.5-59.2168.3174.783.8-0.1110.8K10 D19 V23 Y24 L25 E101 L105K10-R21 PolarHBondContact O-NH1 2.97Å; D19-R21 PolarHBondContact O-N 3.06Å; D19-R21 WeakPolarHBondContact OD1-CB 3.44Å; D19-R21 WeakPolarHBondContact OD1-CG 3.47Å; D19-R21 PolarHBondContact OD1-N 3.25Å; D19-R21 IonicContact OD1-NH1 3.59Å; R21-V23 VanDerWaalsContact C-N 3.34Å; R21-V23 PolarHBondContact O-N 3.48Å; R21-Y24 WeakPolarHBondContact O-CB 3.48Å; R21-Y24 PolarHBondContact O-N 2.96Å; R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 PolarHBondContact O-N 2.87Å; R21-E101 WeakPolarHBondContact CD-OE1 3.34Å; R21-E101 IonicContact CZ-OE1 3.08Å; R21-E101 IonicContact CZ-OE2 4Å; R21-E101 VanDerWaalsContact NE-CD 3.3Å; R21-E101 IonicContact NE-OE1 2.67Å; R21-E101 PolarHBondContact NE-OE1 2.85Å; R21-E101 IonicContact NE-OE2 3.24Å; R21-E101 PolarHBondContact NE-OE2 2.69Å; R21-E101 IonicContact NH2-OE1 2.72Å; R21-E101 IonicContact NH2-OE2 3.43Å; R21-E101 PolarHBondContact NH2-OE2 3.21Å; R21-L105 HydrophobicContact CB-CD1 4.29Å
22S76.7Confident69.3Low44 Ų4480.8 Ų80.831%0.30840%0.401SS..Hα-helixtrans-65.2-34.7179.442.20000113.1D19 R26D19-S22 WeakPolarHBondContact CB-OG 3.27Å; D19-S22 PolarHBondContact O-N 3.21Å; D19-S22 VanDerWaalsContact O-N 3.17Å; D19-S22 PolarHBondContact O-OG 2.9Å; D19-S22 VanDerWaalsContact OD2-CB 3.29Å; D19-S22 WeakPolarHBondContact OD2-CB 3.3Å; D19-S22 PolarHBondContact OD2-N 2.92Å; D19-S22 PolarHBondContact OD2-OG 2.76Å; S22-R26 WeakPolarHBondContact O-CG 3.35Å; S22-R26 PolarHBondContact O-N 3.2Å; S22-R26 VanDerWaalsContact O-N 3.1Å
23V82.6Confident69.7Low47 Ų4782.7 Ų82.729%0.28541%0.406SS..Hα-helixtrans-65.4-48.9170.9178.70000110.7D19 F20 R21 L25 R26 V27 M55D19-V23 PolarHBondContact O-N 2.89Å; F20-V23 PolarHBondContact O-N 3.35Å; R21-V23 VanDerWaalsContact C-N 3.34Å; R21-V23 PolarHBondContact O-N 3.48Å; V23-L25 VanDerWaalsContact C-N 3.32Å; V23-L25 PolarHBondContact O-N 3.43Å; V23-R26 PolarHBondContact O-N 2.68Å; V23-V27 WeakPolarHBondContact O-CG2 3.31Å; V23-V27 PolarHBondContact O-N 2.91Å; V23-M55 HydrophobicContact CB-CE 4.19Å; V23-M55 HydrophobicContact CG1-CE 3.83Å
24Y87.9Confident70.5Confident2 Ų276.1 Ų76.11%0.00838%0.378CS..Hα-helixtrans-55.6-47.7178.1178-112.3000111.5F20 R21 R26 V27 L28 M55 I81 G86 L88 L102 L105 R106F20-Y24 VanDerWaalsContact O-CB 3.31Å; F20-Y24 WeakPolarHBondContact O-CB 3.39Å; F20-Y24 PolarHBondContact O-N 3.24Å; R21-Y24 WeakPolarHBondContact O-CB 3.48Å; R21-Y24 PolarHBondContact O-N 2.96Å; Y24-R26 PolarHBondContact O-N 3.08Å; Y24-V27 PolarHBondContact O-N 2.87Å; Y24-L28 HydrophobicContact CD1-CD1 3.69Å; Y24-L28 HydrophobicContact CD1-CG 4.49Å; Y24-L28 HydrophobicContact CE1-CD1 3.32Å; Y24-L28 HydrophobicContact CE1-CG 4.23Å; Y24-L28 HydrophobicContact CE2-CD1 4.22Å; Y24-L28 HydrophobicContact CE2-CD2 4.42Å; Y24-L28 HydrophobicContact CE2-CG 4.27Å; Y24-L28 HydrophobicContact CG-CD1 4.31Å; Y24-L28 WeakPolarHBondContact O-CG 3.32Å; Y24-L28 PolarHBondContact O-N 2.95Å; Y24-M55 HydrophobicContact CD2-CE 4.45Å; Y24-M55 HydrophobicContact CD2-SD 4.04Å; Y24-I81 HydrophobicContact CD2-CD1 3.46Å; Y24-I81 VanDerWaalsContact CD2-CD1 3.46Å; Y24-I81 HydrophobicContact CD2-CG1 4.09Å; Y24-I81 HydrophobicContact CE2-CD1 3.71Å; Y24-I81 HydrophobicContact CE2-CG1 3.99Å; Y24-G86 PolarHBondContact OH-O 2.94Å; Y24-L88 HydrophobicContact CD2-CD1 4.16Å; Y24-L88 HydrophobicContact CE2-CB 3.92Å; Y24-L88 HydrophobicContact CE2-CD1 4.19Å; Y24-L88 HydrophobicContact CE2-CG 4.5Å; Y24-L102 HydrophobicContact CD1-CB 4.41Å; Y24-L102 HydrophobicContact CD1-CD2 3.77Å; Y24-L102 HydrophobicContact CE1-CB 3.89Å; Y24-L102 HydrophobicContact CE1-CD2 4.14Å; Y24-L102 WeakPolarHBondContact CE1-O 3.42Å; Y24-L102 HydrophobicContact CG-CD2 4.3Å; Y24-L105 HydrophobicContact CE1-CB 4.48Å; Y24-R106 HydrophobicContact CE1-CB 4.48Å
25L84.1Confident70.8Confident44 Ų4479.3 Ų79.323%0.2339%0.389CS..Hα-helixtrans-62.8-42.2179.7-134.4125.9000112.9R21 V23 V27 L28 Y29 L105R21-L25 WeakPolarHBondContact O-CB 3.37Å; R21-L25 PolarHBondContact O-N 2.87Å; V23-L25 VanDerWaalsContact C-N 3.32Å; V23-L25 PolarHBondContact O-N 3.43Å; L25-V27 PolarHBondContact O-N 3.06Å; L25-L28 PolarHBondContact O-N 3.38Å; L25-Y29 HydrophobicContact CD2-CD2 3.93Å; L25-Y29 HydrophobicContact CD2-CE2 3.51Å; L25-Y29 WeakPolarHBondContact O-CD2 3.36Å; L25-Y29 PolarHBondContact O-N 3.21Å; L25-L105 HydrophobicContact CD1-CB 3.72Å; L25-L105 HydrophobicContact CD1-CD1 3.94Å; L25-L105 HydrophobicContact CD1-CD2 3.4Å; L25-L105 HydrophobicContact CD1-CG 3.83Å
26R79.7Confident71.4Confident187 Ų18771.1 Ų71.171%0.70636%0.36SS*.Hα-helixtrans-62-43.2175.5-80.8-177-168.8-164.63.7112S22 V23 Y24 L28 Y29 L30S22-R26 WeakPolarHBondContact O-CG 3.35Å; S22-R26 PolarHBondContact O-N 3.2Å; S22-R26 VanDerWaalsContact O-N 3.1Å; V23-R26 PolarHBondContact O-N 2.68Å; Y24-R26 PolarHBondContact O-N 3.08Å; R26-L28 VanDerWaalsContact C-N 3.34Å; R26-Y29 PolarHBondContact O-N 3.37Å; R26-L30 PolarHBondContact O-N 2.93Å; R26-L30 VanDerWaalsContact O-N 3.07Å
27V84.6Confident72.1Confident17 Ų1767.9 Ų67.910%0.10335%0.352CS..Hα-helixtrans-68.2-37.6179.3-177.20000110.4V23 Y24 L25 L30 V31 V53 M55 I81V23-V27 WeakPolarHBondContact O-CG2 3.31Å; V23-V27 PolarHBondContact O-N 2.91Å; Y24-V27 PolarHBondContact O-N 2.87Å; L25-V27 PolarHBondContact O-N 3.06Å; V27-L30 WeakPolarHBondContact O-CB 3.4Å; V27-L30 PolarHBondContact O-N 3.32Å; V27-V31 HydrophobicContact CG1-CG2 4.18Å; V27-V31 WeakPolarHBondContact O-CB 3.41Å; V27-V31 VanDerWaalsContact O-CG2 3.25Å; V27-V31 WeakPolarHBondContact O-CG2 3.46Å; V27-V31 PolarHBondContact O-N 3.2Å; V27-V53 HydrophobicContact CG1-CG1 3.69Å; V27-M55 HydrophobicContact CG2-CG 4.35Å; V27-I81 HydrophobicContact CB-CD1 3.73Å; V27-I81 HydrophobicContact CG1-CB 4.48Å; V27-I81 HydrophobicContact CG1-CD1 3.64Å
28L86.2Confident73Confident0 Ų067.3 Ų67.30%033%0.33CS..Hα-helixtrans-58.9-47.6172.8-74.6170.7000112.6Y24 L25 R26 L30 V31 F32 I81 R106 A109Y24-L28 HydrophobicContact CD1-CD1 3.69Å; Y24-L28 HydrophobicContact CD1-CG 4.49Å; Y24-L28 HydrophobicContact CE1-CD1 3.32Å; Y24-L28 HydrophobicContact CE1-CG 4.23Å; Y24-L28 HydrophobicContact CE2-CD1 4.22Å; Y24-L28 HydrophobicContact CE2-CD2 4.42Å; Y24-L28 HydrophobicContact CE2-CG 4.27Å; Y24-L28 HydrophobicContact CG-CD1 4.31Å; Y24-L28 WeakPolarHBondContact O-CG 3.32Å; Y24-L28 PolarHBondContact O-N 2.95Å; L25-L28 PolarHBondContact O-N 3.38Å; R26-L28 VanDerWaalsContact C-N 3.34Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 3.01Å; L28-V31 PolarHBondContact O-N 3.17Å; L28-V31 VanDerWaalsContact O-N 3.13Å; L28-F32 HydrophobicContact CB-CD2 4.32Å; L28-F32 HydrophobicContact CB-CE2 4.11Å; L28-F32 HydrophobicContact CD2-CE2 3.77Å; L28-F32 HydrophobicContact CD2-CZ 3.87Å; L28-F32 HydrophobicContact CG-CE2 4.46Å; L28-F32 VanDerWaalsContact O-CD2 3.31Å; L28-F32 WeakPolarHBondContact O-CD2 3.49Å; L28-F32 WeakPolarHBondContact O-CG 3.49Å; L28-F32 PolarHBondContact O-N 3.25Å; L28-I81 HydrophobicContact CD2-CG2 4.36Å; L28-R106 HydrophobicContact CD1-CB 4.13Å; L28-R106 HydrophobicContact CD1-CG 4.33Å; L28-R106 HydrophobicContact CD2-CG 3.86Å; L28-A109 HydrophobicContact CB-CB 3.89Å; L28-A109 HydrophobicContact CD1-CB 4.23Å
29Y79.9Confident73.7Confident74 Ų7459 Ų5929%0.2930%0.303SS..Hα-helixtrans-59.9-38.5175.8-88.4-67.5000112.3L25 R26 N33 A109 V112 C113L25-Y29 HydrophobicContact CD2-CD2 3.93Å; L25-Y29 HydrophobicContact CD2-CE2 3.51Å; L25-Y29 WeakPolarHBondContact O-CD2 3.36Å; L25-Y29 PolarHBondContact O-N 3.21Å; R26-Y29 PolarHBondContact O-N 3.37Å; Y29-N33 WeakPolarHBondContact O-CB 3.49Å; Y29-N33 PolarHBondContact O-N 2.83Å; Y29-N33 PolarHBondContact O-ND2 3.34Å; Y29-A109 HydrophobicContact CE2-CB 4.45Å; Y29-V112 HydrophobicContact CE1-CB 4.09Å; Y29-V112 HydrophobicContact CE1-CG1 3.76Å; Y29-C113 WeakPolarHBondContact CD1-SG 3.39Å
30L78.3Confident74Confident90 Ų9062.8 Ų62.847%0.47131%0.313SS..Hα-helixtrans-66.4-40174.2-78.2165.7000112.5R26 V27 L28 G34 F38R26-L30 PolarHBondContact O-N 2.93Å; R26-L30 VanDerWaalsContact O-N 3.07Å; V27-L30 WeakPolarHBondContact O-CB 3.4Å; V27-L30 PolarHBondContact O-N 3.32Å; L28-L30 VanDerWaalsContact C-N 3.27Å; L28-L30 PolarHBondContact O-N 3.01Å; L30-G34 VanDerWaalsContact O-CA 3.25Å; L30-G34 WeakPolarHBondContact O-CA 3.28Å; L30-G34 PolarHBondContact O-N 3.44Å; L30-F38 HydrophobicContact CB-CE2 4.14Å; L30-F38 HydrophobicContact CB-CZ 4.44Å; L30-F38 HydrophobicContact CD2-CE2 4.49Å
31V80.7Confident74.2Confident11 Ų1162.2 Ų62.27%0.06731%0.31CS..Hα-helixtrans-66.8-47.1178.9166.10000110.8V27 L28 V53 I81 C83V27-V31 HydrophobicContact CG1-CG2 4.18Å; V27-V31 WeakPolarHBondContact O-CB 3.41Å; V27-V31 VanDerWaalsContact O-CG2 3.25Å; V27-V31 WeakPolarHBondContact O-CG2 3.46Å; V27-V31 PolarHBondContact O-N 3.2Å; L28-V31 PolarHBondContact O-N 3.17Å; L28-V31 VanDerWaalsContact O-N 3.13Å; V31-V53 HydrophobicContact CG2-CG1 3.89Å; V31-I81 HydrophobicContact CG2-CG2 4.34Å; V31-C83 VanDerWaalsContact CG1-O 3.28Å; V31-C83 WeakPolarHBondContact CG1-O 3.26Å
32F80.7Confident74.5Confident37 Ų3763.3 Ų63.316%0.16232%0.315CS..Hα-helixtrans-79.3-34.3-175.6-61.8-38.6000113.8L28 R106 A109 L110 C113L28-F32 HydrophobicContact CB-CD2 4.32Å; L28-F32 HydrophobicContact CB-CE2 4.11Å; L28-F32 HydrophobicContact CD2-CE2 3.77Å; L28-F32 HydrophobicContact CD2-CZ 3.87Å; L28-F32 HydrophobicContact CG-CE2 4.46Å; L28-F32 VanDerWaalsContact O-CD2 3.31Å; L28-F32 WeakPolarHBondContact O-CD2 3.49Å; L28-F32 WeakPolarHBondContact O-CG 3.49Å; L28-F32 PolarHBondContact O-N 3.25Å; F32-R106 HydrophobicContact CZ-CG 4.22Å; F32-A109 HydrophobicContact CD2-CB 4.03Å; F32-A109 HydrophobicContact CE2-CB 4.02Å; F32-L110 HydrophobicContact CD1-CD1 3.68Å; F32-L110 HydrophobicContact CD2-CB 4.17Å; F32-L110 HydrophobicContact CD2-CD1 4.28Å; F32-L110 HydrophobicContact CE1-CD1 3.55Å; F32-L110 HydrophobicContact CE2-CB 3.75Å; F32-L110 HydrophobicContact CE2-CD1 4.14Å; F32-L110 HydrophobicContact CG-CD1 4.06Å; F32-L110 HydrophobicContact CZ-CB 4.01Å; F32-L110 HydrophobicContact CZ-CD1 3.79Å; F32-L110 HydrophobicContact CZ-CG 4.47Å; F32-C113 HydrophobicContact CB-CB 3.56Å
33N74Confident75.2Confident99 Ų9964.5 Ų64.553%0.52932%0.32SS..Hα-helixtrans-81.2-19.5172.6-73.7-44.8000113.1Y29 K35Y29-N33 WeakPolarHBondContact O-CB 3.49Å; Y29-N33 PolarHBondContact O-N 2.83Å; Y29-N33 PolarHBondContact O-ND2 3.34Å; N33-K35 PolarHBondContact O-N 2.88Å
34G60.9Low75.7Confident28 Ų2864 Ų6429%0.28932%0.319SS..  trans-69.7100.4-175.600000111.7L30 G36L30-G34 VanDerWaalsContact O-CA 3.25Å; L30-G34 WeakPolarHBondContact O-CA 3.28Å; L30-G34 PolarHBondContact O-N 3.44Å; G34-G36 PolarHBondContact O-N 3.26Å
35K50.2Low75.7Confident211 Ų21171.7 Ų71.792%0.91735%0.348SS*.SBendtrans-6078.5168.3-68.6-175.8179.2179.20111.1N33 C37N33-K35 PolarHBondContact O-N 2.88Å; K35-C37 VanDerWaalsContact C-N 3.31Å; K35-C37 PolarHBondContact O-N 3.28Å; K35-C37 VanDerWaalsContact O-N 3.12Å
36G47.1Very low75.5Confident23 Ų2376 Ų7624%0.23736%0.361CS..SBendtrans710.8167.900000118G34 S39 R47G34-G36 PolarHBondContact O-N 3.26Å; G36-S39 PolarHBondContact O-OG 3Å; G36-S39 VanDerWaalsContact O-OG 3.09Å; G36-R47 PolarHBondContact O-NH1 3.3Å; G36-R47 PolarHBondContact O-NH2 2.62Å
37C48.9Very low75.3Confident103 Ų10374.6 Ų74.670%0.69636%0.356SS*.G310 helixtrans-70.7-35.7-176.2-127.70000113.1K35K35-C37 VanDerWaalsContact C-N 3.31Å; K35-C37 PolarHBondContact O-N 3.28Å; K35-C37 VanDerWaalsContact O-N 3.12Å
38F57.5Low74.8Confident56 Ų5675.4 Ų75.425%0.24636%0.358CS..G310 helixtrans-85.6-3.6-177.1-64.8-74000114.7L30 R40 V53 C60 C83L30-F38 HydrophobicContact CB-CE2 4.14Å; L30-F38 HydrophobicContact CB-CZ 4.44Å; L30-F38 HydrophobicContact CD2-CE2 4.49Å; F38-R40 VanDerWaalsContact C-N 3.28Å; F38-R40 PolarHBondContact O-N 3.49Å; F38-V53 HydrophobicContact CD1-CG2 4.22Å; F38-C60 PolarHBondContact O-SG 2.97Å; F38-C83 PolarHBondContact O-SG 2.66Å
39S66.5Low73.8Confident29 Ų2979.5 Ų79.520%0.20338%0.383CS..G310 helixtrans-83.7-2.118060.80000113.8G36 R47 S51G36-S39 PolarHBondContact O-OG 3Å; G36-S39 VanDerWaalsContact O-OG 3.09Å; S39-R47 VanDerWaalsContact O-CA 3.26Å; S39-R47 WeakPolarHBondContact O-CA 3.44Å; S39-R47 WeakPolarHBondContact OG-CD 3.34Å; S39-S51 PolarHBondContact O-OG 2.87Å
40R80.8Confident73.7Confident137 Ų13778.6 Ų78.652%0.51738%0.382SS..BIsolated β-bridgetrans-98.1120.3-175.4-152.8177-170.3179.11.5110.8F38 Y42 R45 R46 R47F38-R40 VanDerWaalsContact C-N 3.28Å; F38-R40 PolarHBondContact O-N 3.49Å; R40-Y42 PolarHBondContact O-N 2.96Å; R40-R45 WeakPolarHBondContact CG-O 3.49Å; R40-R45 PolarHBondContact NE-O 2.91Å; R40-R46 WeakPolarHBondContact CA-O 3.46Å; R40-R47 HydrophobicContact CB-CG 4.12Å; R40-R47 HydrophobicContact CG-CG 4.14Å
41C87.8Confident74.1Confident0 Ų074.3 Ų74.30%036%0.36CS..  trans-62.4133.4176176.40000111.2V43 C44 R45 R46 C60 C62C41-V43 VanDerWaalsContact C-N 3.25Å; C41-V43 PolarHBondContact O-N 3.17Å; C41-V43 PolarHBondContact SG-N 3.22Å; C41-V43 VanDerWaalsContact SG-N 3.43Å; C41-C44 VanDerWaalsContact CB-SG 3.52Å; C41-C44 VanDerWaalsContact SG-SG 3.62Å; C41-R45 WeakPolarHBondContact O-CA 3.42Å; C41-R45 PolarHBondContact O-N 2.98Å; C41-R46 PolarHBondContact N-O 2.99Å; C41-C60 WeakPolarHBondContact CA-O 3.49Å; C41-C62 HydrophobicContact CB-CB 3.86Å; C41-C62 PolarHBondContact SG-N 2.95Å; C41-C62 VanDerWaalsContact SG-N 3.38Å; C41-C62 VanDerWaalsContact SG-SG 3.69Å
42Y89.3Confident74.6Confident91 Ų9173.8 Ų73.836%0.35736%0.356SS..THydrogen-bonded Turntrans-67.1-27.1-179.392.1-93.8000112.7R40 C60 H71R40-Y42 PolarHBondContact O-N 2.96Å; Y42-C60 WeakPolarHBondContact CD1-O 3.42Å; Y42-C60 PolarHBondContact N-O 3.03Å; Y42-H71 HydrophobicContact CE1-CB 4.29Å
43V91.8Very high75.1Confident68 Ų6872.1 Ų72.141%0.41235%0.35SS..THydrogen-bonded Turntrans-85.6-67.2179.8-172.50000111.1C41 H67C41-V43 VanDerWaalsContact C-N 3.25Å; C41-V43 PolarHBondContact O-N 3.17Å; C41-V43 PolarHBondContact SG-N 3.22Å; C41-V43 VanDerWaalsContact SG-N 3.43Å; V43-H67 HydrophobicContact CB-CB 4.2Å; V43-H67 WeakPolarHBondContact CG1-NE2 3.48Å; V43-H67 HydrophobicContact CG2-CB 3.92Å
44C92.8Very high75.9Confident38 Ų3867.4 Ų67.426%0.25732%0.324SS..THydrogen-bonded Turntrans-88.5-5.2-172.367.70000114.4C41 R46C41-C44 VanDerWaalsContact CB-SG 3.52Å; C41-C44 VanDerWaalsContact SG-SG 3.62Å; C44-R46 HydrophobicContact CB-CG 4.43Å; C44-R46 PolarHBondContact O-N 3.32Å
45R88.8Confident77.3Confident162 Ų16267 Ų6761%0.61132%0.315SS*.  trans58.98.4-178.2-53.4-67.4-165.21683.8115.1R40 C41R40-R45 WeakPolarHBondContact CG-O 3.49Å; R40-R45 PolarHBondContact NE-O 2.91Å; C41-R45 WeakPolarHBondContact O-CA 3.42Å; C41-R45 PolarHBondContact O-N 2.98Å
46R79.6Confident79.2Confident136 Ų13661 Ų6151%0.51329%0.291SS..  trans-74.4149.8174.1-63.6-174.6-165158.46.9110.6R40 C41 C44 E48 E65R40-R46 WeakPolarHBondContact CA-O 3.46Å; C41-R46 PolarHBondContact N-O 2.99Å; C44-R46 HydrophobicContact CB-CG 4.43Å; C44-R46 PolarHBondContact O-N 3.32Å; R46-E48 HydrophobicContact CB-CG 4.28Å; R46-E65 IonicContact CZ-OE1 2.77Å; R46-E65 IonicContact NH1-OE1 2.66Å; R46-E65 PolarHBondContact NH1-OE1 3.28Å; R46-E65 IonicContact NH2-OE1 2.69Å
47R75.7Confident81.1Confident157 Ų15762 Ų6259%0.59229%0.293SS*.BIsolated β-bridgetrans-100.4127.9167.2-74.7-173.4177-165.31.7109.4G36 S39 R40G36-R47 PolarHBondContact O-NH1 3.3Å; G36-R47 PolarHBondContact O-NH2 2.62Å; S39-R47 VanDerWaalsContact O-CA 3.26Å; S39-R47 WeakPolarHBondContact O-CA 3.44Å; S39-R47 WeakPolarHBondContact OG-CD 3.34Å; R40-R47 HydrophobicContact CB-CG 4.12Å; R40-R47 HydrophobicContact CG-CG 4.14Å
48E72.7Confident82.4Confident33 Ų3361.7 Ų61.715%0.15429%0.288CS..  trans-138.4148.5-176.1-53.4179.6-154.300110.2R46 M50 S51 C62 T64R46-E48 HydrophobicContact CB-CG 4.28Å; E48-M50 PolarHBondContact O-N 3.11Å; E48-S51 PolarHBondContact N-OG 3.29Å; E48-S51 WeakPolarHBondContact O-CB 3.22Å; E48-S51 PolarHBondContact O-N 3.26Å; E48-S51 PolarHBondContact O-OG 3.42Å; E48-C62 VanDerWaalsContact CD-CB 3.42Å; E48-C62 HydrophobicContact CG-CB 4.4Å; E48-C62 WeakPolarHBondContact OE1-CB 3.28Å; E48-T64 WeakPolarHBondContact OE2-CB 3.42Å; E48-T64 PolarHBondContact OE2-OG1 3.01Å
49V66.6Low83.8Confident87 Ų8762.9 Ų62.953%0.52730%0.295SS..THydrogen-bonded Turntrans-58.9-39.3176.6-176.90000110.7S51 K84 F85V49-S51 VanDerWaalsContact C-N 3.27Å; V49-S51 PolarHBondContact O-N 2.72Å; V49-K84 HydrophobicContact CG1-CD 3.63Å; V49-F85 HydrophobicContact CG1-CE2 4.3Å; V49-F85 HydrophobicContact CG1-CZ 4.44Å
50M77.6Confident85Confident54 Ų5462 Ų6227%0.26629%0.289SS..THydrogen-bonded Turntrans-91.343.9176.5-81.8-53.8-4000112.8E48 M52 W63 N82 F96E48-M50 PolarHBondContact O-N 3.11Å; M50-M52 HydrophobicContact CE-CG 4.49Å; M50-M52 HydrophobicContact CE-SD 3.67Å; M50-W63 HydrophobicContact CB-CB 3.63Å; M50-W63 HydrophobicContact CB-CG 4.18Å; M50-W63 HydrophobicContact CE-CB 4.45Å; M50-W63 HydrophobicContact CE-CD2 4.11Å; M50-W63 HydrophobicContact CE-CE3 4.03Å; M50-W63 HydrophobicContact CE-CG 4.33Å; M50-W63 WeakPolarHBondContact O-CB 3.23Å; M50-W63 PolarHBondContact O-N 3.44Å; M50-W63 VanDerWaalsContact O-N 3.11Å; M50-N82 WeakPolarHBondContact CE-ND2 3.08Å; M50-N82 PolarHBondContact SD-ND2 2.67Å; M50-F96 HydrophobicContact CE-CZ 3.83Å
51S86.1Confident85.5Confident0 Ų055.5 Ų55.50%026%0.264CS..EExtended strand (participates in β ladder)trans-81.3142.3167.8-57.10000110.2S39 E48 V49 C83S39-S51 PolarHBondContact O-OG 2.87Å; E48-S51 PolarHBondContact N-OG 3.29Å; E48-S51 WeakPolarHBondContact O-CB 3.22Å; E48-S51 PolarHBondContact O-N 3.26Å; E48-S51 PolarHBondContact O-OG 3.42Å; V49-S51 VanDerWaalsContact C-N 3.27Å; V49-S51 PolarHBondContact O-N 2.72Å; S51-C83 WeakPolarHBondContact O-CB 3.38Å; S51-C83 PolarHBondContact O-N 2.81Å; S51-C83 PolarHBondContact O-SG 2.74Å; S51-C83 VanDerWaalsContact O-SG 3.35Å
52M90.8Very high85.6Confident0 Ų055.5 Ų55.50%026%0.264CS..EExtended strand (participates in β ladder)trans-122.8138.7-176.5-60-66.1-69.400109.7M50 C60 G61 W63 F68 I81 N82 Y89 F96M50-M52 HydrophobicContact CE-CG 4.49Å; M50-M52 HydrophobicContact CE-SD 3.67Å; M52-C60 CarbonylContact O-C 3.51Å; M52-C60 WeakPolarHBondContact O-CA 3.24Å; M52-G61 PolarHBondContact N-O 2.77Å; M52-G61 PolarHBondContact O-N 2.64Å; M52-W63 HydrophobicContact CE-CZ3 4.28Å; M52-W63 HydrophobicContact CG-CE3 3.74Å; M52-W63 HydrophobicContact CG-CZ3 4.19Å; M52-W63 HydrophobicContact SD-CE3 4.14Å; M52-W63 HydrophobicContact SD-CZ3 4.26Å; M52-F68 HydrophobicContact CB-CB 4.1Å; M52-F68 HydrophobicContact CB-CD1 3.37Å; M52-F68 HydrophobicContact CB-CD2 3.53Å; M52-F68 HydrophobicContact CB-CE1 3.55Å; M52-F68 HydrophobicContact CB-CE2 3.72Å; M52-F68 HydrophobicContact CB-CG 3.37Å; M52-F68 HydrophobicContact CB-CZ 3.75Å; M52-F68 HydrophobicContact CE-CD1 4.48Å; M52-F68 HydrophobicContact CE-CE1 4.06Å; M52-F68 HydrophobicContact CG-CB 4.42Å; M52-F68 HydrophobicContact CG-CD1 3.66Å; M52-F68 HydrophobicContact CG-CE1 4.04Å; M52-F68 HydrophobicContact CG-CG 3.98Å; M52-I81 CarbonylContact C-O 3.57Å; M52-I81 VanDerWaalsContact CA-O 3.29Å; M52-I81 WeakPolarHBondContact CA-O 3.32Å; M52-N82 HydrophobicContact CE-CB 4.48Å; M52-N82 WeakPolarHBondContact SD-CA 3.25Å; M52-N82 HydrophobicContact SD-CB 3.75Å; M52-Y89 VanDerWaalsContact CE-CB 3.43Å; M52-Y89 HydrophobicContact CE-CG 4.12Å; M52-F96 HydrophobicContact CE-CE1 3.84Å; M52-F96 HydrophobicContact CE-CZ 4.28Å; M52-F96 HydrophobicContact SD-CE1 4.24Å; M52-F96 HydrophobicContact SD-CZ 4.3Å
53V90.9Very high85.6Confident3 Ų354.7 Ų54.72%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-106.6136.6172.965.80000109.9V27 V31 F38 Q59 C60 G80 I81V27-V53 HydrophobicContact CG1-CG1 3.69Å; V31-V53 HydrophobicContact CG2-CG1 3.89Å; F38-V53 HydrophobicContact CD1-CG2 4.22Å; V53-Q59 CarbonylContact C-O 3.56Å; V53-Q59 WeakPolarHBondContact CA-O 3.49Å; V53-C60 VanDerWaalsContact CB-SG 3.56Å; V53-G80 CarbonylContact O-C 3.56Å; V53-G80 VanDerWaalsContact O-CA 3.29Å; V53-G80 WeakPolarHBondContact O-CA 3.38Å; V53-I81 HydrophobicContact CG1-CB 3.94Å; V53-I81 HydrophobicContact CG1-CG2 4.49Å; V53-I81 PolarHBondContact N-O 2.82Å; V53-I81 PolarHBondContact O-N 3.49Å
54C92.1Very high85.4Confident0 Ų056 Ų560%027%0.269CS..EExtended strand (participates in β ladder)trans-77.3130.9175.2-177.10000110.7Q56 T58 Q59 F68 H71 H77C54-Q56 PolarHBondContact O-N 3.47Å; C54-Q56 PolarHBondContact SG-N 3.31Å; C54-T58 WeakPolarHBondContact O-CA 3.34Å; C54-T58 PolarHBondContact O-N 3.11Å; C54-T58 VanDerWaalsContact O-N 3.1Å; C54-Q59 PolarHBondContact N-O 3.23Å; C54-F68 HydrophobicContact CB-CE2 4.14Å; C54-H71 WeakPolarHBondContact CB-NE2 3.45Å; C54-H77 PolarHBondContact SG-ND1 3.48Å
55M89.7Confident85.4Confident18 Ų1858.5 Ų58.59%0.08928%0.277CS..THydrogen-bonded Turntrans-69.7-19.9175.5-81.1177.262.500113.3F20 V23 Y24 V27 W79 I81 L88F20-M55 HydrophobicContact CD2-CE 4.22Å; F20-M55 HydrophobicContact CE2-CE 3.81Å; F20-M55 HydrophobicContact CZ-CE 3.98Å; F20-M55 HydrophobicContact CZ-SD 4.34Å; V23-M55 HydrophobicContact CB-CE 4.19Å; V23-M55 HydrophobicContact CG1-CE 3.83Å; Y24-M55 HydrophobicContact CD2-CE 4.45Å; Y24-M55 HydrophobicContact CD2-SD 4.04Å; V27-M55 HydrophobicContact CG2-CG 4.35Å; M55-W79 HydrophobicContact CB-CB 3.95Å; M55-W79 HydrophobicContact CG-CB 4.37Å; M55-W79 PolarHBondContact N-O 2.93Å; M55-W79 VanDerWaalsContact N-O 3.1Å; M55-W79 HydrophobicContact SD-CB 3.97Å; M55-I81 HydrophobicContact CG-CD1 3.62Å; M55-I81 HydrophobicContact CG-CG1 3.86Å; M55-I81 HydrophobicContact SD-CD1 3.77Å; M55-I81 HydrophobicContact SD-CG1 3.95Å; M55-L88 HydrophobicContact SD-CD1 3.56Å; M55-L88 VanDerWaalsContact SD-CD1 3.56Å
56Q89.8Confident85.6Confident87 Ų8759.3 Ų59.341%0.40728%0.28SS..THydrogen-bonded Turntrans-96.8-19.4-172.8-67.1164.4-101.400113.6C54 H77C54-Q56 PolarHBondContact O-N 3.47Å; C54-Q56 PolarHBondContact SG-N 3.31Å; Q56-H77 HydrophobicContact CB-CB 4.48Å; Q56-H77 PolarHBondContact NE2-CD2 2.96Å; Q56-H77 VanDerWaalsContact NE2-CD2 3.3Å
57C86.6Confident86.4Confident44 Ų4454.9 Ų54.930%0.29726%0.264SS..THydrogen-bonded Turntrans-152.215.4-176.271.20000115.7Q59 H71 H77C57-Q59 PolarHBondContact O-N 2.81Å; C57-H71 PolarHBondContact SG-CE1 3.1Å; C57-H71 PolarHBondContact SG-NE2 2.89Å; C57-H77 PolarHBondContact SG-CE1 2.73Å; C57-H77 PolarHBondContact SG-ND1 2.6Å; C57-H77 VanDerWaalsContact SG-ND1 3.44Å
58T77Confident87.2Confident96 Ų9647.4 Ų47.459%0.58924%0.236SC*.  trans56.87.2176.462.50000116.9C54C54-T58 WeakPolarHBondContact O-CA 3.34Å; C54-T58 PolarHBondContact O-N 3.11Å; C54-T58 VanDerWaalsContact O-N 3.1Å
59Q87.6Confident88.3Confident81 Ų8148.2 Ų48.238%0.37924%0.24SC..  trans-69.4137175.2-74.3-6910.400112.1V53 C54 C57V53-Q59 CarbonylContact C-O 3.56Å; V53-Q59 WeakPolarHBondContact CA-O 3.49Å; C54-Q59 PolarHBondContact N-O 3.23Å; C57-Q59 PolarHBondContact O-N 2.81Å
60C90.5Very high89.7Confident11 Ų1146.1 Ų46.17%0.07423%0.232CC..EExtended strand (participates in β ladder)trans-104.5127.7176-820000112.6F38 C41 Y42 M52 V53F38-C60 PolarHBondContact O-SG 2.97Å; C41-C60 WeakPolarHBondContact CA-O 3.49Å; Y42-C60 WeakPolarHBondContact CD1-O 3.42Å; Y42-C60 PolarHBondContact N-O 3.03Å; M52-C60 CarbonylContact O-C 3.51Å; M52-C60 WeakPolarHBondContact O-CA 3.24Å; V53-C60 VanDerWaalsContact CB-SG 3.56Å
61G90.9Very high90.6Very high0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-122.5145.817600000111.9M52M52-G61 PolarHBondContact N-O 2.77Å; M52-G61 PolarHBondContact O-N 2.64Å
62C90.6Very high91Very high0 Ų044.5 Ų44.50%022%0.223CC..EExtended strand (participates in β ladder)trans-75.6148.2169.161.60000110.8C41 E48 H67 F68C41-C62 HydrophobicContact CB-CB 3.86Å; C41-C62 PolarHBondContact SG-N 2.95Å; C41-C62 VanDerWaalsContact SG-N 3.38Å; C41-C62 VanDerWaalsContact SG-SG 3.69Å; E48-C62 VanDerWaalsContact CD-CB 3.42Å; E48-C62 HydrophobicContact CG-CB 4.4Å; E48-C62 WeakPolarHBondContact OE1-CB 3.28Å; C62-H67 PolarHBondContact O-N 2.58Å; C62-H67 PolarHBondContact SG-ND1 2.77Å; C62-F68 PolarHBondContact O-N 2.89Å
63W88.7Confident91.2Very high73 Ų7352.6 Ų52.628%0.27726%0.259SS..SBendtrans-76.1-42.4174.1-168.5-92.3000112.8M50 M52 E65 R66 H69 Y89 F96M50-W63 HydrophobicContact CB-CB 3.63Å; M50-W63 HydrophobicContact CB-CG 4.18Å; M50-W63 HydrophobicContact CE-CB 4.45Å; M50-W63 HydrophobicContact CE-CD2 4.11Å; M50-W63 HydrophobicContact CE-CE3 4.03Å; M50-W63 HydrophobicContact CE-CG 4.33Å; M50-W63 WeakPolarHBondContact O-CB 3.23Å; M50-W63 PolarHBondContact O-N 3.44Å; M50-W63 VanDerWaalsContact O-N 3.11Å; M52-W63 HydrophobicContact CE-CZ3 4.28Å; M52-W63 HydrophobicContact CG-CE3 3.74Å; M52-W63 HydrophobicContact CG-CZ3 4.19Å; M52-W63 HydrophobicContact SD-CE3 4.14Å; M52-W63 HydrophobicContact SD-CZ3 4.26Å; W63-E65 PolarHBondContact O-N 3.18Å; W63-R66 WeakPolarHBondContact O-CA 3.41Å; W63-R66 PolarHBondContact O-N 3.32Å; W63-H69 AromaticContact CD2-CE1 3.82Å; W63-H69 AromaticContact CE2-CE1 3.89Å; W63-H69 AromaticContact CE3-CE1 3.66Å; W63-H69 AromaticContact CH2-CE1 3.68Å; W63-H69 AromaticContact CH2-NE2 3.81Å; W63-H69 AromaticContact CZ2-CE1 3.83Å; W63-H69 AromaticContact CZ3-CE1 3.59Å; W63-Y89 AromaticContact CH2-CD2 3.75Å; W63-Y89 HydrophobicContact CH2-CD2 3.75Å; W63-Y89 AromaticContact CH2-CE2 3.49Å; W63-Y89 HydrophobicContact CH2-CE2 3.49Å; W63-Y89 VanDerWaalsContact CH2-CE2 3.49Å; W63-Y89 AromaticContact CZ3-CD2 4Å; W63-Y89 HydrophobicContact CZ3-CD2 4Å; W63-Y89 HydrophobicContact CZ3-CE2 4.04Å; W63-Y89 HydrophobicContact CZ3-CG 4.36Å; W63-F96 AromaticContact CH2-CE2 3.8Å; W63-F96 HydrophobicContact CH2-CE2 3.8Å; W63-F96 AromaticContact CH2-CZ 3.89Å; W63-F96 HydrophobicContact CH2-CZ 3.89Å; W63-F96 HydrophobicContact CZ2-CE2 4.17Å; W63-F96 HydrophobicContact CZ3-CE2 4.31Å; W63-F96 AromaticContact CZ3-CZ 3.92Å; W63-F96 HydrophobicContact CZ3-CZ 3.92Å
64T87.7Confident91.5Very high96 Ų9658.5 Ų58.559%0.58929%0.29SS*.THydrogen-bonded Turntrans-58.5-54.4-170.2-45.80000112.5E48 R66E48-T64 WeakPolarHBondContact OE2-CB 3.42Å; E48-T64 PolarHBondContact OE2-OG1 3.01Å; T64-R66 PolarHBondContact O-N 2.85Å
65E93Very high91.6Very high91 Ų9160.4 Ų60.443%0.42531%0.306SS..THydrogen-bonded Turntrans-83.99.8177.6-50.5-65.9172.100112.4R46 W63 H67R46-E65 IonicContact CZ-OE1 2.77Å; R46-E65 IonicContact NH1-OE1 2.66Å; R46-E65 PolarHBondContact NH1-OE1 3.28Å; R46-E65 IonicContact NH2-OE1 2.69Å; W63-E65 PolarHBondContact O-N 3.18Å; E65-H67 VanDerWaalsContact CB-CE1 3.49Å; E65-H67 WeakPolarHBondContact CB-CE1 3.34Å; E65-H67 PolarHBondContact O-N 3.32Å
66R93.9Very high91.8Very high179 Ų17964.4 Ų64.468%0.67534%0.335SS*.  trans56.217.6-179-60-170.8171.8-155.5-3116W63 T64 F68 H69 A70W63-R66 WeakPolarHBondContact O-CA 3.41Å; W63-R66 PolarHBondContact O-N 3.32Å; T64-R66 PolarHBondContact O-N 2.85Å; R66-F68 PolarHBondContact O-N 3.26Å; R66-H69 HydrophobicContact CB-CB 4.3Å; R66-H69 WeakPolarHBondContact O-CB 3.43Å; R66-H69 PolarHBondContact O-N 2.86Å; R66-A70 PolarHBondContact O-N 3.16Å
67H94.8Very high92.1Very high42 Ų4262 Ų6219%0.19432%0.323CS..Hα-helixtrans-57.8-31.7176-66.1135.1000113.3V43 C62 E65 H71V43-H67 HydrophobicContact CB-CB 4.2Å; V43-H67 WeakPolarHBondContact CG1-NE2 3.48Å; V43-H67 HydrophobicContact CG2-CB 3.92Å; C62-H67 PolarHBondContact O-N 2.58Å; C62-H67 PolarHBondContact SG-ND1 2.77Å; E65-H67 VanDerWaalsContact CB-CE1 3.49Å; E65-H67 WeakPolarHBondContact CB-CE1 3.34Å; E65-H67 PolarHBondContact O-N 3.32Å; H67-H71 WeakPolarHBondContact O-CB 3.3Å; H67-H71 PolarHBondContact O-N 2.97Å
68F94.2Very high92.4Very high0 Ų061.5 Ų61.50%032%0.318CS..Hα-helixtrans-67.6-40173.2-170.2-115000113M52 C54 C62 R66 H71 L72 G80 Y89M52-F68 HydrophobicContact CB-CB 4.1Å; M52-F68 HydrophobicContact CB-CD1 3.37Å; M52-F68 HydrophobicContact CB-CD2 3.53Å; M52-F68 HydrophobicContact CB-CE1 3.55Å; M52-F68 HydrophobicContact CB-CE2 3.72Å; M52-F68 HydrophobicContact CB-CG 3.37Å; M52-F68 HydrophobicContact CB-CZ 3.75Å; M52-F68 HydrophobicContact CE-CD1 4.48Å; M52-F68 HydrophobicContact CE-CE1 4.06Å; M52-F68 HydrophobicContact CG-CB 4.42Å; M52-F68 HydrophobicContact CG-CD1 3.66Å; M52-F68 HydrophobicContact CG-CE1 4.04Å; M52-F68 HydrophobicContact CG-CG 3.98Å; C54-F68 HydrophobicContact CB-CE2 4.14Å; C62-F68 PolarHBondContact O-N 2.89Å; R66-F68 PolarHBondContact O-N 3.26Å; F68-H71 WeakPolarHBondContact O-CB 3.4Å; F68-H71 PolarHBondContact O-N 2.86Å; F68-L72 HydrophobicContact CD1-CD1 3.8Å; F68-L72 HydrophobicContact CD1-CG 4.28Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE1-CD2 4.24Å; F68-L72 HydrophobicContact CE1-CG 3.89Å; F68-L72 HydrophobicContact CE2-CD2 4.49Å; F68-L72 HydrophobicContact CE2-CG 4.47Å; F68-L72 HydrophobicContact CZ-CD1 3.92Å; F68-L72 HydrophobicContact CZ-CD2 3.9Å; F68-L72 HydrophobicContact CZ-CG 3.95Å; F68-L72 WeakPolarHBondContact O-CG 3.16Å; F68-L72 PolarHBondContact O-N 2.79Å; F68-G80 VanDerWaalsContact CZ-CA 3.42Å; F68-Y89 HydrophobicContact CE1-CD1 4.18Å
69H95.8Very high93.2Very high51 Ų5157.2 Ų57.224%0.23629%0.291CS..Hα-helixtrans-67.8-40.6177.8-65.979.1000111.2W63 R66 H71 L72 K73 Y89W63-H69 AromaticContact CD2-CE1 3.82Å; W63-H69 AromaticContact CE2-CE1 3.89Å; W63-H69 AromaticContact CE3-CE1 3.66Å; W63-H69 AromaticContact CH2-CE1 3.68Å; W63-H69 AromaticContact CH2-NE2 3.81Å; W63-H69 AromaticContact CZ2-CE1 3.83Å; W63-H69 AromaticContact CZ3-CE1 3.59Å; R66-H69 HydrophobicContact CB-CB 4.3Å; R66-H69 WeakPolarHBondContact O-CB 3.43Å; R66-H69 PolarHBondContact O-N 2.86Å; H69-H71 VanDerWaalsContact C-N 3.34Å; H69-L72 PolarHBondContact O-N 3.16Å; H69-K73 WeakPolarHBondContact O-CB 3.36Å; H69-K73 PolarHBondContact O-N 3.4Å; H69-Y89 PolarHBondContact CD2-OH 3.12Å; H69-Y89 AromaticContact NE2-CZ 3.81Å; H69-Y89 PolarHBondContact NE2-OH 2.76Å
70A96.2Very high93.5Very high42 Ų4253.4 Ų53.435%0.34727%0.273SS..Hα-helixtrans-57.6-48.2172.200000110.6R66 L72 K73 D74R66-A70 PolarHBondContact O-N 3.16Å; A70-L72 PolarHBondContact O-N 3.21Å; A70-K73 PolarHBondContact O-N 2.92Å; A70-D74 WeakPolarHBondContact O-CB 3.22Å; A70-D74 PolarHBondContact O-N 2.97Å
71H95.5Very high93.5Very high13 Ų1352.9 Ų52.96%0.0627%0.269CS..Hα-helixtrans-56.6-50175.816965.7000113.3Y42 C54 C57 H67 F68 H69 K73 D74 A75 H77Y42-H71 HydrophobicContact CE1-CB 4.29Å; C54-H71 WeakPolarHBondContact CB-NE2 3.45Å; C57-H71 PolarHBondContact SG-CE1 3.1Å; C57-H71 PolarHBondContact SG-NE2 2.89Å; H67-H71 WeakPolarHBondContact O-CB 3.3Å; H67-H71 PolarHBondContact O-N 2.97Å; F68-H71 WeakPolarHBondContact O-CB 3.4Å; F68-H71 PolarHBondContact O-N 2.86Å; H69-H71 VanDerWaalsContact C-N 3.34Å; H71-K73 PolarHBondContact O-N 3.14Å; H71-D74 PolarHBondContact O-N 3.18Å; H71-A75 VanDerWaalsContact O-CB 3.28Å; H71-A75 WeakPolarHBondContact O-CB 3.48Å; H71-A75 PolarHBondContact O-N 3.47Å; H71-H77 AromaticContact CE1-ND1 3.61Å; H71-H77 AromaticContact NE2-ND1 3.27Å; H71-H77 PolarHBondContact NE2-ND1 3.19Å
72L94.9Very high93.5Very high7 Ų752.9 Ų52.94%0.03727%0.269CS..Hα-helixtrans-59.2-39.6179.6-71.1174.5000111.5F68 H69 A70 C76 H77 Y89 A91F68-L72 HydrophobicContact CD1-CD1 3.8Å; F68-L72 HydrophobicContact CD1-CG 4.28Å; F68-L72 HydrophobicContact CE1-CD1 3.37Å; F68-L72 HydrophobicContact CE1-CD2 4.24Å; F68-L72 HydrophobicContact CE1-CG 3.89Å; F68-L72 HydrophobicContact CE2-CD2 4.49Å; F68-L72 HydrophobicContact CE2-CG 4.47Å; F68-L72 HydrophobicContact CZ-CD1 3.92Å; F68-L72 HydrophobicContact CZ-CD2 3.9Å; F68-L72 HydrophobicContact CZ-CG 3.95Å; F68-L72 WeakPolarHBondContact O-CG 3.16Å; F68-L72 PolarHBondContact O-N 2.79Å; H69-L72 PolarHBondContact O-N 3.16Å; A70-L72 PolarHBondContact O-N 3.21Å; L72-C76 CarbonylContact O-C 3.56Å; L72-C76 WeakPolarHBondContact O-CA 3.47Å; L72-C76 PolarHBondContact O-N 3.16Å; L72-C76 VanDerWaalsContact O-N 3.17Å; L72-H77 WeakPolarHBondContact CB-O 3.35Å; L72-H77 HydrophobicContact CD2-CB 3.77Å; L72-H77 WeakPolarHBondContact CD2-O 3.46Å; L72-H77 PolarHBondContact O-N 2.89Å; L72-Y89 HydrophobicContact CD1-CD1 3.87Å; L72-Y89 HydrophobicContact CD1-CE1 3.69Å; L72-A91 HydrophobicContact CB-CB 4.29Å; L72-A91 HydrophobicContact CD1-CB 3.89Å
73K95.1Very high93.2Very high171 Ų17153.8 Ų53.874%0.74328%0.276SS*.Hα-helixtrans-68.6-49.9177.7-167.7-177.4-179.4-173.40112.1H69 A70 H71 C76H69-K73 WeakPolarHBondContact O-CB 3.36Å; H69-K73 PolarHBondContact O-N 3.4Å; A70-K73 PolarHBondContact O-N 2.92Å; H71-K73 PolarHBondContact O-N 3.14Å; K73-C76 PolarHBondContact O-N 3.47Å
74D95.9Very high92.7Very high126 Ų12656 Ų5667%0.67429%0.287SS*.Hα-helixtrans-69.7-36.3-174.4-65.5-16.7000112.2A70 H71A70-D74 WeakPolarHBondContact O-CB 3.22Å; A70-D74 PolarHBondContact O-N 2.97Å; H71-D74 PolarHBondContact O-N 3.18Å
75A94.6Very high92.4Very high40 Ų4055.2 Ų55.233%0.33128%0.276SS..THydrogen-bonded Turntrans-89.7-1.4178.600000113.6H71 H77H71-A75 VanDerWaalsContact O-CB 3.28Å; H71-A75 WeakPolarHBondContact O-CB 3.48Å; H71-A75 PolarHBondContact O-N 3.47Å; A75-H77 PolarHBondContact O-CD2 3.39Å; A75-H77 VanDerWaalsContact O-CD2 3.26Å; A75-H77 PolarHBondContact O-N 2.77Å
76C95.4Very high92.2Very high103 Ų10350.9 Ų50.970%0.69626%0.256SS*.THydrogen-bonded Turntrans52.237.9-171.4-630000112.9L72 K73L72-C76 CarbonylContact O-C 3.56Å; L72-C76 WeakPolarHBondContact O-CA 3.47Å; L72-C76 PolarHBondContact O-N 3.16Å; L72-C76 VanDerWaalsContact O-N 3.17Å; K73-C76 PolarHBondContact O-N 3.47Å
77H94.4Very high91.9Very high36 Ų3646 Ų4617%0.16724%0.238CC..  trans-93145.7176.5-69.1164.1000110.9C54 Q56 C57 H71 L72 A75C54-H77 PolarHBondContact SG-ND1 3.48Å; Q56-H77 HydrophobicContact CB-CB 4.48Å; Q56-H77 PolarHBondContact NE2-CD2 2.96Å; Q56-H77 VanDerWaalsContact NE2-CD2 3.3Å; C57-H77 PolarHBondContact SG-CE1 2.73Å; C57-H77 PolarHBondContact SG-ND1 2.6Å; C57-H77 VanDerWaalsContact SG-ND1 3.44Å; H71-H77 AromaticContact CE1-ND1 3.61Å; H71-H77 AromaticContact NE2-ND1 3.27Å; H71-H77 PolarHBondContact NE2-ND1 3.19Å; L72-H77 WeakPolarHBondContact CB-O 3.35Å; L72-H77 HydrophobicContact CD2-CB 3.77Å; L72-H77 WeakPolarHBondContact CD2-O 3.46Å; L72-H77 PolarHBondContact O-N 2.89Å; A75-H77 PolarHBondContact O-CD2 3.39Å; A75-H77 VanDerWaalsContact O-CD2 3.26Å; A75-H77 PolarHBondContact O-N 2.77Å
78N94.2Very high91.8Very high33 Ų3344.1 Ų44.118%0.17623%0.229CC..  trans-107.3-19.4-172.5-64.2-62.2000113.4A91 R92N78-A91 WeakPolarHBondContact O-CB 3.45Å; N78-A91 PolarHBondContact O-N 3.46Å; N78-R92 PolarHBondContact ND2-NH2 2.86Å; N78-R92 WeakPolarHBondContact OD1-CG 3.47Å; N78-R92 PolarHBondContact OD1-NE 2.79Å
79W94.1Very high91.7Very high7 Ų744.4 Ų44.43%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-127129.5-162.4-56.7114.8000113.1H5 V6 E9 F20 M55 L88 C90 V97H5-W79 HydrophobicContact CB-CH2 3.72Å; H5-W79 HydrophobicContact CB-CZ2 4.01Å; V6-W79 HydrophobicContact CB-CH2 4.27Å; V6-W79 HydrophobicContact CG2-CE3 4.46Å; V6-W79 HydrophobicContact CG2-CH2 3.35Å; V6-W79 HydrophobicContact CG2-CZ2 4.4Å; V6-W79 HydrophobicContact CG2-CZ3 3.39Å; E9-W79 HydrophobicContact CG-CZ2 3.57Å; E9-W79 PolarHBondContact OE1-NE1 3.1Å; F20-W79 AromaticContact CE2-CD1 3.74Å; F20-W79 AromaticContact CE2-CD2 3.64Å; F20-W79 HydrophobicContact CE2-CD2 3.64Å; F20-W79 AromaticContact CE2-CE2 3.6Å; F20-W79 HydrophobicContact CE2-CE3 4.24Å; F20-W79 AromaticContact CE2-CG 3.76Å; F20-W79 HydrophobicContact CE2-CG 3.76Å; F20-W79 HydrophobicContact CE2-CZ2 4.2Å; F20-W79 AromaticContact CE2-NE1 3.62Å; F20-W79 AromaticContact CZ-CD2 3.82Å; F20-W79 HydrophobicContact CZ-CD2 3.82Å; F20-W79 AromaticContact CZ-CE3 3.94Å; F20-W79 HydrophobicContact CZ-CE3 3.94Å; F20-W79 HydrophobicContact CZ-CG 4.25Å; F20-W79 HydrophobicContact CZ-CH2 4.47Å; F20-W79 HydrophobicContact CZ-CZ2 4.39Å; F20-W79 HydrophobicContact CZ-CZ3 4.25Å; M55-W79 HydrophobicContact CB-CB 3.95Å; M55-W79 HydrophobicContact CG-CB 4.37Å; M55-W79 PolarHBondContact N-O 2.93Å; M55-W79 VanDerWaalsContact N-O 3.1Å; M55-W79 HydrophobicContact SD-CB 3.97Å; W79-L88 HydrophobicContact CE3-CD1 4.11Å; W79-L88 HydrophobicContact CE3-CD2 4.3Å; W79-L88 HydrophobicContact CE3-CG 4.32Å; W79-L88 HydrophobicContact CZ3-CD2 4.25Å; W79-C90 HydrophobicContact CE3-CB 4.25Å; W79-C90 HydrophobicContact CH2-CB 4.29Å; W79-C90 HydrophobicContact CZ3-CB 3.62Å; W79-V97 HydrophobicContact CZ3-CG2 4.36Å
80G92.7Very high91.6Very high0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-134.8149177.600000112.8V53 F68 L88 Y89V53-G80 CarbonylContact O-C 3.56Å; V53-G80 VanDerWaalsContact O-CA 3.29Å; V53-G80 WeakPolarHBondContact O-CA 3.38Å; F68-G80 VanDerWaalsContact CZ-CA 3.42Å; G80-L88 CarbonylContact O-C 3.49Å; G80-L88 WeakPolarHBondContact O-CA 3.48Å; G80-Y89 PolarHBondContact N-O 3.08Å; G80-Y89 VanDerWaalsContact N-O 3.08Å; G80-Y89 PolarHBondContact O-N 3.43Å
81I91.7Very high91.5Very high0 Ų041.1 Ų41.10%021%0.212CC..EExtended strand (participates in β ladder)trans-121.1134.3174.9-67.2175.6000109.1Y24 V27 L28 V31 M52 V53 M55 C83 Y87 L88Y24-I81 HydrophobicContact CD2-CD1 3.46Å; Y24-I81 VanDerWaalsContact CD2-CD1 3.46Å; Y24-I81 HydrophobicContact CD2-CG1 4.09Å; Y24-I81 HydrophobicContact CE2-CD1 3.71Å; Y24-I81 HydrophobicContact CE2-CG1 3.99Å; V27-I81 HydrophobicContact CB-CD1 3.73Å; V27-I81 HydrophobicContact CG1-CB 4.48Å; V27-I81 HydrophobicContact CG1-CD1 3.64Å; L28-I81 HydrophobicContact CD2-CG2 4.36Å; V31-I81 HydrophobicContact CG2-CG2 4.34Å; M52-I81 CarbonylContact C-O 3.57Å; M52-I81 VanDerWaalsContact CA-O 3.29Å; M52-I81 WeakPolarHBondContact CA-O 3.32Å; V53-I81 HydrophobicContact CG1-CB 3.94Å; V53-I81 HydrophobicContact CG1-CG2 4.49Å; V53-I81 PolarHBondContact N-O 2.82Å; V53-I81 PolarHBondContact O-N 3.49Å; M55-I81 HydrophobicContact CG-CD1 3.62Å; M55-I81 HydrophobicContact CG-CG1 3.86Å; M55-I81 HydrophobicContact SD-CD1 3.77Å; M55-I81 HydrophobicContact SD-CG1 3.95Å; I81-C83 PolarHBondContact O-N 2.72Å; I81-Y87 CarbonylContact C-O 3.49Å; I81-Y87 WeakPolarHBondContact CA-O 3.49Å; I81-L88 HydrophobicContact CG1-CD1 4.21Å
82N89.3Confident91.4Very high0 Ų046.9 Ų46.90%023%0.233CC..EExtended strand (participates in β ladder)trans-66.3127171.3175.9-90.9000110.7M50 M52 K84 F85 G86 Y87M50-N82 WeakPolarHBondContact CE-ND2 3.08Å; M50-N82 PolarHBondContact SD-ND2 2.67Å; M52-N82 HydrophobicContact CE-CB 4.48Å; M52-N82 WeakPolarHBondContact SD-CA 3.25Å; M52-N82 HydrophobicContact SD-CB 3.75Å; N82-K84 PolarHBondContact O-N 3.27Å; N82-K84 VanDerWaalsContact O-N 3.14Å; N82-K84 WeakPolarHBondContact OD1-CA 3.47Å; N82-K84 WeakPolarHBondContact OD1-CB 3.44Å; N82-K84 PolarHBondContact OD1-N 3.47Å; N82-F85 VanDerWaalsContact OD1-CD2 3.23Å; N82-F85 WeakPolarHBondContact OD1-CD2 3.26Å; N82-F85 PolarHBondContact OD1-N 2.88Å; N82-G86 VanDerWaalsContact O-CA 3.3Å; N82-G86 WeakPolarHBondContact O-CA 3.4Å; N82-G86 PolarHBondContact O-N 3.24Å; N82-Y87 PolarHBondContact N-O 3.41Å
83C86.1Confident91.2Very high20 Ų2049.3 Ų49.314%0.13525%0.25CC..THydrogen-bonded Turntrans-72.1-4.8-174.5-63.20000114.5V31 F38 S51 I81V31-C83 VanDerWaalsContact CG1-O 3.28Å; V31-C83 WeakPolarHBondContact CG1-O 3.26Å; F38-C83 PolarHBondContact O-SG 2.66Å; S51-C83 WeakPolarHBondContact O-CB 3.38Å; S51-C83 PolarHBondContact O-N 2.81Å; S51-C83 PolarHBondContact O-SG 2.74Å; S51-C83 VanDerWaalsContact O-SG 3.35Å; I81-C83 PolarHBondContact O-N 2.72Å
84K77Confident91Very high120 Ų12045.2 Ų45.252%0.52224%0.243SC..THydrogen-bonded Turntrans-109.2-46.3178.3-173.1168.2-175.6174.40112.3V49 N82V49-K84 HydrophobicContact CG1-CD 3.63Å; N82-K84 PolarHBondContact O-N 3.27Å; N82-K84 VanDerWaalsContact O-N 3.14Å; N82-K84 WeakPolarHBondContact OD1-CA 3.47Å; N82-K84 WeakPolarHBondContact OD1-CB 3.44Å; N82-K84 PolarHBondContact OD1-N 3.47Å
85F82.4Confident90.6Very high79 Ų7943 Ų4335%0.34623%0.231SC..THydrogen-bonded Turntrans-105.1-16.6-171-54.5-63.5000112.7V49 N82 Y87 R106V49-F85 HydrophobicContact CG1-CE2 4.3Å; V49-F85 HydrophobicContact CG1-CZ 4.44Å; N82-F85 VanDerWaalsContact OD1-CD2 3.23Å; N82-F85 WeakPolarHBondContact OD1-CD2 3.26Å; N82-F85 PolarHBondContact OD1-N 2.88Å; F85-Y87 VanDerWaalsContact C-N 3.29Å; F85-Y87 HydrophobicContact CB-CD1 4.42Å; F85-Y87 HydrophobicContact CB-CD2 3.44Å; F85-Y87 VanDerWaalsContact CB-CD2 3.44Å; F85-Y87 HydrophobicContact CB-CE1 4.3Å; F85-Y87 HydrophobicContact CB-CE2 3.28Å; F85-Y87 HydrophobicContact CB-CG 4.01Å; F85-Y87 HydrophobicContact CD1-CE2 4.47Å; F85-Y87 HydrophobicContact CD2-CD2 4.09Å; F85-Y87 AromaticContact CD2-CE2 3.84Å; F85-Y87 HydrophobicContact CD2-CE2 3.84Å; F85-Y87 HydrophobicContact CG-CD2 4.08Å; F85-Y87 AromaticContact CG-CE2 3.64Å; F85-Y87 HydrophobicContact CG-CE2 3.64Å; F85-R106 WeakPolarHBondContact O-CD 3.23Å; F85-R106 PolarHBondContact O-NH1 2.82Å
86G87.7Confident90.3Very high0 Ų042.9 Ų42.90%022%0.223CC..  trans78.78.9-176.700000114.2Y24 N82 L88 R106Y24-G86 PolarHBondContact OH-O 2.94Å; N82-G86 VanDerWaalsContact O-CA 3.3Å; N82-G86 WeakPolarHBondContact O-CA 3.4Å; N82-G86 PolarHBondContact O-N 3.24Å; G86-L88 PolarHBondContact O-N 2.82Å; G86-R106 WeakPolarHBondContact O-CD 3.49Å
87Y88.6Confident89.8Confident76 Ų7638.6 Ų38.630%0.29819%0.194SC..  trans-64.5130.8-179.4-60.2-45.2000112I81 N82 F85I81-Y87 CarbonylContact C-O 3.49Å; I81-Y87 WeakPolarHBondContact CA-O 3.49Å; N82-Y87 PolarHBondContact N-O 3.41Å; F85-Y87 VanDerWaalsContact C-N 3.29Å; F85-Y87 HydrophobicContact CB-CD1 4.42Å; F85-Y87 HydrophobicContact CB-CD2 3.44Å; F85-Y87 VanDerWaalsContact CB-CD2 3.44Å; F85-Y87 HydrophobicContact CB-CE1 4.3Å; F85-Y87 HydrophobicContact CB-CE2 3.28Å; F85-Y87 HydrophobicContact CB-CG 4.01Å; F85-Y87 HydrophobicContact CD1-CE2 4.47Å; F85-Y87 HydrophobicContact CD2-CD2 4.09Å; F85-Y87 AromaticContact CD2-CE2 3.84Å; F85-Y87 HydrophobicContact CD2-CE2 3.84Å; F85-Y87 HydrophobicContact CG-CD2 4.08Å; F85-Y87 AromaticContact CG-CE2 3.64Å; F85-Y87 HydrophobicContact CG-CE2 3.64Å
88L91.3Very high89.2Confident3 Ų343.4 Ų43.42%0.01621%0.211CC..EExtended strand (participates in β ladder)trans-76.2135.8175.8-176.465.8000110.6V6 F20 Y24 M55 W79 G80 I81 G86 F96 V97 L102V6-L88 HydrophobicContact CG2-CD2 3.74Å; F20-L88 HydrophobicContact CE1-CD2 3.97Å; F20-L88 HydrophobicContact CZ-CD1 4.31Å; F20-L88 HydrophobicContact CZ-CD2 3.89Å; Y24-L88 HydrophobicContact CD2-CD1 4.16Å; Y24-L88 HydrophobicContact CE2-CB 3.92Å; Y24-L88 HydrophobicContact CE2-CD1 4.19Å; Y24-L88 HydrophobicContact CE2-CG 4.5Å; M55-L88 HydrophobicContact SD-CD1 3.56Å; M55-L88 VanDerWaalsContact SD-CD1 3.56Å; W79-L88 HydrophobicContact CE3-CD1 4.11Å; W79-L88 HydrophobicContact CE3-CD2 4.3Å; W79-L88 HydrophobicContact CE3-CG 4.32Å; W79-L88 HydrophobicContact CZ3-CD2 4.25Å; G80-L88 CarbonylContact O-C 3.49Å; G80-L88 WeakPolarHBondContact O-CA 3.48Å; I81-L88 HydrophobicContact CG1-CD1 4.21Å; G86-L88 PolarHBondContact O-N 2.82Å; L88-F96 CarbonylContact O-C 3.55Å; L88-F96 VanDerWaalsContact O-CA 3.32Å; L88-F96 WeakPolarHBondContact O-CA 3.4Å; L88-F96 WeakPolarHBondContact O-CD1 3.41Å; L88-V97 HydrophobicContact CB-CB 4.36Å; L88-V97 HydrophobicContact CD2-CB 4.1Å; L88-V97 HydrophobicContact CD2-CG1 4.49Å; L88-V97 HydrophobicContact CD2-CG2 4.33Å; L88-V97 HydrophobicContact CG-CB 4.29Å; L88-V97 HydrophobicContact CG-CG2 4.4Å; L88-V97 PolarHBondContact O-N 2.89Å; L88-L102 HydrophobicContact CD2-CD1 3.55Å
89Y92.6Very high88.7Confident5 Ų542.7 Ų42.72%0.0221%0.208CC..EExtended strand (participates in β ladder)trans-118.3133.8175.1178.4-98.4000110.2M52 W63 F68 H69 L72 G80 S94 D95 F96M52-Y89 VanDerWaalsContact CE-CB 3.43Å; M52-Y89 HydrophobicContact CE-CG 4.12Å; W63-Y89 AromaticContact CH2-CD2 3.75Å; W63-Y89 HydrophobicContact CH2-CD2 3.75Å; W63-Y89 AromaticContact CH2-CE2 3.49Å; W63-Y89 HydrophobicContact CH2-CE2 3.49Å; W63-Y89 VanDerWaalsContact CH2-CE2 3.49Å; W63-Y89 AromaticContact CZ3-CD2 4Å; W63-Y89 HydrophobicContact CZ3-CD2 4Å; W63-Y89 HydrophobicContact CZ3-CE2 4.04Å; W63-Y89 HydrophobicContact CZ3-CG 4.36Å; F68-Y89 HydrophobicContact CE1-CD1 4.18Å; H69-Y89 PolarHBondContact CD2-OH 3.12Å; H69-Y89 AromaticContact NE2-CZ 3.81Å; H69-Y89 PolarHBondContact NE2-OH 2.76Å; L72-Y89 HydrophobicContact CD1-CD1 3.87Å; L72-Y89 HydrophobicContact CD1-CE1 3.69Å; G80-Y89 PolarHBondContact N-O 3.08Å; G80-Y89 VanDerWaalsContact N-O 3.08Å; G80-Y89 PolarHBondContact O-N 3.43Å; Y89-S94 VanDerWaalsContact OH-CA 3.3Å; Y89-S94 WeakPolarHBondContact OH-CA 3.46Å; Y89-D95 WeakPolarHBondContact CD2-O 3.37Å; Y89-F96 HydrophobicContact CD2-CD1 4.36Å; Y89-F96 HydrophobicContact CD2-CD2 4.45Å; Y89-F96 HydrophobicContact CD2-CE1 4.36Å; Y89-F96 HydrophobicContact CD2-CE2 4.45Å; Y89-F96 HydrophobicContact CD2-CG 4.4Å; Y89-F96 HydrophobicContact CD2-CZ 4.39Å
90C94.3Very high88Confident0 Ų049.6 Ų49.60%025%0.245CC..EExtended strand (participates in β ladder)trans-106.7115.6175.4-176.80000110W79 R92 C93 S94 D95 V97W79-C90 HydrophobicContact CE3-CB 4.25Å; W79-C90 HydrophobicContact CH2-CB 4.29Å; W79-C90 HydrophobicContact CZ3-CB 3.62Å; C90-R92 PolarHBondContact O-N 3.11Å; C90-C93 HydrophobicContact CB-CB 4.04Å; C90-C93 PolarHBondContact O-N 3.36Å; C90-S94 WeakPolarHBondContact O-CA 3.41Å; C90-S94 PolarHBondContact O-N 3.09Å; C90-D95 PolarHBondContact N-O 3.2Å; C90-D95 PolarHBondContact O-N 3.43Å; C90-V97 HydrophobicContact CB-CG2 3.57Å
91A94Very high87.5Confident24 Ų2453.3 Ų53.320%0.19826%0.262CS..THydrogen-bonded Turntrans-59.4-36.817800000112.6L72 N78 S94L72-A91 HydrophobicContact CB-CB 4.29Å; L72-A91 HydrophobicContact CD1-CB 3.89Å; N78-A91 WeakPolarHBondContact O-CB 3.45Å; N78-A91 PolarHBondContact O-N 3.46Å; A91-S94 PolarHBondContact O-N 2.88Å; A91-S94 PolarHBondContact O-OG 3.36Å; A91-S94 VanDerWaalsContact O-OG 3.12Å
92R93.1Very high87.2Confident134 Ų13453.5 Ų53.551%0.50626%0.263SS..THydrogen-bonded Turntrans-72.1-37.7-177.6-59-175.2-162.4170.612.5112.7H5 N78 C90 S94H5-R92 WeakPolarHBondContact CE1-CB 3.49Å; N78-R92 PolarHBondContact ND2-NH2 2.86Å; N78-R92 WeakPolarHBondContact OD1-CG 3.47Å; N78-R92 PolarHBondContact OD1-NE 2.79Å; C90-R92 PolarHBondContact O-N 3.11Å; R92-S94 VanDerWaalsContact C-N 3.25Å
93C91Very high86.9Confident58 Ų5856 Ų5639%0.39228%0.275SS..THydrogen-bonded Turntrans-75.8-20.9170.4-66.20000111.9H5 C90 D95H5-C93 PolarHBondContact ND1-SG 2.87Å; C90-C93 HydrophobicContact CB-CB 4.04Å; C90-C93 PolarHBondContact O-N 3.36Å; C93-D95 HydrophobicContact CB-CB 4.23Å; C93-D95 PolarHBondContact O-N 2.85Å
94S90.9Very high86.6Confident85 Ų8558.2 Ų58.259%0.59428%0.281SS*.THydrogen-bonded Turntrans52.438.7-166.1-66.60000112.2Y89 C90 A91 R92Y89-S94 VanDerWaalsContact OH-CA 3.3Å; Y89-S94 WeakPolarHBondContact OH-CA 3.46Å; C90-S94 WeakPolarHBondContact O-CA 3.41Å; C90-S94 PolarHBondContact O-N 3.09Å; A91-S94 PolarHBondContact O-N 2.88Å; A91-S94 PolarHBondContact O-OG 3.36Å; A91-S94 VanDerWaalsContact O-OG 3.12Å; R92-S94 VanDerWaalsContact C-N 3.25Å
95D88Confident87Confident81 Ų8153.6 Ų53.643%0.43326%0.262SS..EExtended strand (participates in β ladder)trans-150.5161-175.7-158.53.7000111.5Y89 C90 C93Y89-D95 WeakPolarHBondContact CD2-O 3.37Å; C90-D95 PolarHBondContact N-O 3.2Å; C90-D95 PolarHBondContact O-N 3.43Å; C93-D95 HydrophobicContact CB-CB 4.23Å; C93-D95 PolarHBondContact O-N 2.85Å
96F88.3Confident87.4Confident37 Ų3750.6 Ų50.616%0.16225%0.248CC..EExtended strand (participates in β ladder)trans-70.3143.5169.2-71.2-80.9000110.7M50 M52 W63 L88 Y89 Y98M50-F96 HydrophobicContact CE-CZ 3.83Å; M52-F96 HydrophobicContact CE-CE1 3.84Å; M52-F96 HydrophobicContact CE-CZ 4.28Å; M52-F96 HydrophobicContact SD-CE1 4.24Å; M52-F96 HydrophobicContact SD-CZ 4.3Å; W63-F96 AromaticContact CH2-CE2 3.8Å; W63-F96 HydrophobicContact CH2-CE2 3.8Å; W63-F96 AromaticContact CH2-CZ 3.89Å; W63-F96 HydrophobicContact CH2-CZ 3.89Å; W63-F96 HydrophobicContact CZ2-CE2 4.17Å; W63-F96 HydrophobicContact CZ3-CE2 4.31Å; W63-F96 AromaticContact CZ3-CZ 3.92Å; W63-F96 HydrophobicContact CZ3-CZ 3.92Å; L88-F96 CarbonylContact O-C 3.55Å; L88-F96 VanDerWaalsContact O-CA 3.32Å; L88-F96 WeakPolarHBondContact O-CA 3.4Å; L88-F96 WeakPolarHBondContact O-CD1 3.41Å; Y89-F96 HydrophobicContact CD2-CD1 4.36Å; Y89-F96 HydrophobicContact CD2-CD2 4.45Å; Y89-F96 HydrophobicContact CD2-CE1 4.36Å; Y89-F96 HydrophobicContact CD2-CE2 4.45Å; Y89-F96 HydrophobicContact CD2-CG 4.4Å; Y89-F96 HydrophobicContact CD2-CZ 4.39Å; F96-Y98 HydrophobicContact CB-CE2 3.99Å
97V84.3Confident86.9Confident13 Ų1353.7 Ų53.78%0.07926%0.264CS..  trans-98.2124.8179.5-175.80000109.3C3 V6 W79 L88 C90 D99C3-V97 HydrophobicContact CB-CB 4.26Å; C3-V97 HydrophobicContact CB-CG1 3.56Å; C3-V97 HydrophobicContact CB-CG2 3.75Å; V6-V97 HydrophobicContact CB-CG1 4.26Å; V6-V97 HydrophobicContact CG2-CB 4.39Å; V6-V97 HydrophobicContact CG2-CG1 3.82Å; V6-V97 HydrophobicContact CG2-CG2 4.12Å; W79-V97 HydrophobicContact CZ3-CG2 4.36Å; L88-V97 HydrophobicContact CB-CB 4.36Å; L88-V97 HydrophobicContact CD2-CB 4.1Å; L88-V97 HydrophobicContact CD2-CG1 4.49Å; L88-V97 HydrophobicContact CD2-CG2 4.33Å; L88-V97 HydrophobicContact CG-CB 4.29Å; L88-V97 HydrophobicContact CG-CG2 4.4Å; L88-V97 PolarHBondContact O-N 2.89Å; C90-V97 HydrophobicContact CB-CG2 3.57Å; V97-D99 HydrophobicContact CG1-CB 4.02Å
98Y80.9Confident86.5Confident136 Ų13651.6 Ų51.653%0.53326%0.258SS..  trans-111.480.7175-58.7-84000108.5F96F96-Y98 HydrophobicContact CB-CE2 3.99Å
99D85.4Confident86.1Confident19 Ų1951.5 Ų51.510%0.10226%0.257CS..  trans-104.8128.7178.6-178.9-100000109.6V6 K10 V97 E101 L102 E103V6-D99 HydrophobicContact CG1-CB 4.28Å; K10-D99 IonicContact NZ-OD1 3.38Å; K10-D99 PolarHBondContact NZ-OD1 3.5Å; K10-D99 IonicContact NZ-OD2 3.44Å; K10-D99 PolarHBondContact NZ-OD2 3.12Å; V97-D99 HydrophobicContact CG1-CB 4.02Å; D99-E101 VanDerWaalsContact C-N 3.31Å; D99-E101 PolarHBondContact O-N 3.36Å; D99-E101 WeakPolarHBondContact OD1-CB 3.14Å; D99-E101 PolarHBondContact OD1-N 2.87Å; D99-L102 HydrophobicContact CB-CB 4.17Å; D99-L102 HydrophobicContact CB-CD1 4.06Å; D99-L102 HydrophobicContact CB-CG 4.2Å; D99-L102 PolarHBondContact O-N 3.09Å; D99-L102 PolarHBondContact OD1-N 2.82Å; D99-E103 VanDerWaalsContact O-CB 3.28Å; D99-E103 WeakPolarHBondContact O-CB 3.35Å; D99-E103 PolarHBondContact O-N 3.38Å
100D78.1Confident85.3Confident151 Ų15153.4 Ų53.481%0.80727%0.267SS*.Hα-helixtrans-61.1-39.8-170.5-64.1-25.8000112.3Y104D100-Y104 PolarHBondContact O-N 3.35Å
101E83.7Confident84.2Confident78 Ų7857.3 Ų57.336%0.36428%0.284SS..Hα-helixtrans-68.3-47.2178.9-174.3-175.8-172.200111.3K10 R21 D99 E103 Y104 L105K10-E101 VanDerWaalsContact CD-OE2 3.24Å; K10-E101 WeakPolarHBondContact CD-OE2 3.43Å; K10-E101 IonicContact NZ-OE2 3.35Å; R21-E101 WeakPolarHBondContact CD-OE1 3.34Å; R21-E101 IonicContact CZ-OE1 3.08Å; R21-E101 IonicContact CZ-OE2 4Å; R21-E101 VanDerWaalsContact NE-CD 3.3Å; R21-E101 IonicContact NE-OE1 2.67Å; R21-E101 PolarHBondContact NE-OE1 2.85Å; R21-E101 IonicContact NE-OE2 3.24Å; R21-E101 PolarHBondContact NE-OE2 2.69Å; R21-E101 IonicContact NH2-OE1 2.72Å; R21-E101 IonicContact NH2-OE2 3.43Å; R21-E101 PolarHBondContact NH2-OE2 3.21Å; D99-E101 VanDerWaalsContact C-N 3.31Å; D99-E101 PolarHBondContact O-N 3.36Å; D99-E101 WeakPolarHBondContact OD1-CB 3.14Å; D99-E101 PolarHBondContact OD1-N 2.87Å; E101-E103 VanDerWaalsContact C-N 3.3Å; E101-E103 PolarHBondContact O-N 3.3Å; E101-Y104 WeakPolarHBondContact O-CB 3.49Å; E101-Y104 PolarHBondContact O-N 2.91Å; E101-L105 WeakPolarHBondContact O-CG 3.46Å; E101-L105 PolarHBondContact O-N 2.86Å; E101-L105 VanDerWaalsContact O-N 3.1Å
102L85.3Confident83.2Confident4 Ų458.4 Ų58.42%0.02129%0.289CS..Hα-helixtrans-68.5-31.8179.1-62177.1000112.2V6 F20 Y24 L88 D99 L105 R106V6-L102 HydrophobicContact CG1-CD1 3.71Å; V6-L102 HydrophobicContact CG2-CD1 4.32Å; F20-L102 HydrophobicContact CE1-CD1 3.93Å; F20-L102 HydrophobicContact CE1-CD2 4.44Å; Y24-L102 HydrophobicContact CD1-CB 4.41Å; Y24-L102 HydrophobicContact CD1-CD2 3.77Å; Y24-L102 HydrophobicContact CE1-CB 3.89Å; Y24-L102 HydrophobicContact CE1-CD2 4.14Å; Y24-L102 WeakPolarHBondContact CE1-O 3.42Å; Y24-L102 HydrophobicContact CG-CD2 4.3Å; L88-L102 HydrophobicContact CD2-CD1 3.55Å; D99-L102 HydrophobicContact CB-CB 4.17Å; D99-L102 HydrophobicContact CB-CD1 4.06Å; D99-L102 HydrophobicContact CB-CG 4.2Å; D99-L102 PolarHBondContact O-N 3.09Å; D99-L102 PolarHBondContact OD1-N 2.82Å; L102-L105 HydrophobicContact CD2-CD1 4.23Å; L102-L105 PolarHBondContact O-N 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.44Å
103E81.4Confident82.2Confident53 Ų5353.4 Ų53.425%0.24827%0.274CS..Hα-helixtrans-68.1-39.4175.5-169.365.5179.600111.2D99 E101 R106 L107D99-E103 VanDerWaalsContact O-CB 3.28Å; D99-E103 WeakPolarHBondContact O-CB 3.35Å; D99-E103 PolarHBondContact O-N 3.38Å; E101-E103 VanDerWaalsContact C-N 3.3Å; E101-E103 PolarHBondContact O-N 3.3Å; E103-R106 VanDerWaalsContact CD-NE 3.33Å; E103-R106 WeakPolarHBondContact O-CB 3.29Å; E103-R106 PolarHBondContact O-N 3.23Å; E103-R106 IonicContact OE1-CZ 3.26Å; E103-R106 IonicContact OE1-NE 2.8Å; E103-R106 PolarHBondContact OE1-NE 3.08Å; E103-R106 IonicContact OE1-NH2 3.69Å; E103-R106 PolarHBondContact OE1-NH2 3.36Å; E103-R106 IonicContact OE2-CZ 3.47Å; E103-R106 IonicContact OE2-NE 2.66Å; E103-R106 PolarHBondContact OE2-NE 3.1Å; E103-R106 IonicContact OE2-NH2 3.33Å; E103-L107 WeakPolarHBondContact O-CG 3.29Å; E103-L107 PolarHBondContact O-N 3.34Å
104Y81.3Confident81.2Confident66 Ų6656.1 Ų56.126%0.25928%0.279SS..Hα-helixtrans-57.9-48.6171174.7-101.8000111.8D100 E101 R106 L107 Q108 F122 V126D100-Y104 PolarHBondContact O-N 3.35Å; E101-Y104 WeakPolarHBondContact O-CB 3.49Å; E101-Y104 PolarHBondContact O-N 2.91Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 3.29Å; Y104-L107 PolarHBondContact O-N 2.85Å; Y104-Q108 WeakPolarHBondContact O-CB 3.49Å; Y104-Q108 PolarHBondContact O-N 3.35Å; Y104-F122 HydrophobicContact CD2-CE1 4.03Å; Y104-F122 HydrophobicContact CD2-CZ 4.21Å; Y104-F122 HydrophobicContact CE2-CD1 4.21Å; Y104-F122 AromaticContact CE2-CE1 3.28Å; Y104-F122 HydrophobicContact CE2-CE1 3.28Å; Y104-F122 AromaticContact CE2-CZ 3.81Å; Y104-F122 HydrophobicContact CE2-CZ 3.81Å; Y104-F122 AromaticContact CZ-CE1 3.65Å; Y104-V126 HydrophobicContact CD2-CG1 3.85Å; Y104-V126 HydrophobicContact CE2-CB 3.68Å; Y104-V126 HydrophobicContact CE2-CG1 3.37Å; Y104-V126 HydrophobicContact CE2-CG2 3.88Å
105L85Confident79.6Confident24 Ų2455.4 Ų55.413%0.12629%0.285CS..Hα-helixtrans-63.1-36.4177.9-63169.9000112.2R21 Y24 L25 E101 L102 Q108 A109R21-L105 HydrophobicContact CB-CD1 4.29Å; Y24-L105 HydrophobicContact CE1-CB 4.48Å; L25-L105 HydrophobicContact CD1-CB 3.72Å; L25-L105 HydrophobicContact CD1-CD1 3.94Å; L25-L105 HydrophobicContact CD1-CD2 3.4Å; L25-L105 HydrophobicContact CD1-CG 3.83Å; E101-L105 WeakPolarHBondContact O-CG 3.46Å; E101-L105 PolarHBondContact O-N 2.86Å; E101-L105 VanDerWaalsContact O-N 3.1Å; L102-L105 HydrophobicContact CD2-CD1 4.23Å; L102-L105 PolarHBondContact O-N 3.27Å; L105-Q108 PolarHBondContact O-N 2.9Å; L105-A109 WeakPolarHBondContact O-CB 3.31Å; L105-A109 PolarHBondContact O-N 3.19Å
106R89.5Confident78Confident16 Ų1655.1 Ų55.16%0.0629%0.289CS..Hα-helixtrans-63-48.3176-168-172.770.268.67.5111.8Y24 L28 F32 F85 G86 L102 E103 Y104 A109 L110Y24-R106 HydrophobicContact CE1-CB 4.48Å; L28-R106 HydrophobicContact CD1-CB 4.13Å; L28-R106 HydrophobicContact CD1-CG 4.33Å; L28-R106 HydrophobicContact CD2-CG 3.86Å; F32-R106 HydrophobicContact CZ-CG 4.22Å; F85-R106 WeakPolarHBondContact O-CD 3.23Å; F85-R106 PolarHBondContact O-NH1 2.82Å; G86-R106 WeakPolarHBondContact O-CD 3.49Å; L102-R106 WeakPolarHBondContact O-CB 3.46Å; L102-R106 PolarHBondContact O-N 3.44Å; E103-R106 VanDerWaalsContact CD-NE 3.33Å; E103-R106 WeakPolarHBondContact O-CB 3.29Å; E103-R106 PolarHBondContact O-N 3.23Å; E103-R106 IonicContact OE1-CZ 3.26Å; E103-R106 IonicContact OE1-NE 2.8Å; E103-R106 PolarHBondContact OE1-NE 3.08Å; E103-R106 IonicContact OE1-NH2 3.69Å; E103-R106 PolarHBondContact OE1-NH2 3.36Å; E103-R106 IonicContact OE2-CZ 3.47Å; E103-R106 IonicContact OE2-NE 2.66Å; E103-R106 PolarHBondContact OE2-NE 3.1Å; E103-R106 IonicContact OE2-NH2 3.33Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 3.29Å; R106-A109 PolarHBondContact O-N 2.81Å; R106-L110 WeakPolarHBondContact O-CB 3.42Å; R106-L110 PolarHBondContact O-N 2.82Å
107L78.9Confident75.9Confident64 Ų6457 Ų5734%0.33530%0.3SS..Hα-helixtrans-63.7-43.2178-71.3171.7000111E103 Y104 A109 L110 F111E103-L107 WeakPolarHBondContact O-CG 3.29Å; E103-L107 PolarHBondContact O-N 3.34Å; Y104-L107 PolarHBondContact O-N 2.85Å; L107-A109 PolarHBondContact O-N 3.3Å; L107-L110 PolarHBondContact O-N 2.88Å; L107-F111 WeakPolarHBondContact O-CB 3.36Å; L107-F111 WeakPolarHBondContact O-CD2 3.37Å; L107-F111 PolarHBondContact O-N 2.89Å
108Q80.2Confident74.4Confident33 Ų3360.4 Ų60.415%0.15432%0.317CS..Hα-helixtrans-59.7-48.1177-160.3-179.33300111.4Y104 L105 L110 F111 V112 F122Y104-Q108 WeakPolarHBondContact O-CB 3.49Å; Y104-Q108 PolarHBondContact O-N 3.35Å; L105-Q108 PolarHBondContact O-N 2.9Å; Q108-L110 PolarHBondContact O-N 3.39Å; Q108-F111 PolarHBondContact O-N 3.19Å; Q108-V112 VanDerWaalsContact O-CG2 3.32Å; Q108-V112 WeakPolarHBondContact O-CG2 3.49Å; Q108-V112 PolarHBondContact O-N 2.75Å; Q108-F122 HydrophobicContact CB-CD1 4.29Å; Q108-F122 HydrophobicContact CB-CE1 3.78Å; Q108-F122 HydrophobicContact CB-CZ 4.43Å; Q108-F122 HydrophobicContact CG-CD1 3.75Å; Q108-F122 HydrophobicContact CG-CE1 3.75Å
109A82.2Confident72.6Confident1 Ų157.1 Ų57.11%0.00831%0.313CS..Hα-helixtrans-63-40.1177.600000112.5L28 Y29 F32 L105 R106 L107 C113L28-A109 HydrophobicContact CB-CB 3.89Å; L28-A109 HydrophobicContact CD1-CB 4.23Å; Y29-A109 HydrophobicContact CE2-CB 4.45Å; F32-A109 HydrophobicContact CD2-CB 4.03Å; F32-A109 HydrophobicContact CE2-CB 4.02Å; L105-A109 WeakPolarHBondContact O-CB 3.31Å; L105-A109 PolarHBondContact O-N 3.19Å; R106-A109 PolarHBondContact O-N 2.81Å; L107-A109 PolarHBondContact O-N 3.3Å; A109-C113 WeakPolarHBondContact O-CB 3.45Å; A109-C113 PolarHBondContact O-N 2.85Å; A109-C113 PolarHBondContact O-SG 3.14Å
110L76Confident70.9Confident44 Ų4459.2 Ų59.223%0.2333%0.333CS..Hα-helixtrans-62.3-46.5177.3-175.672.4000111.3F32 R106 L107 Q108 C113 K114F32-L110 HydrophobicContact CD1-CD1 3.68Å; F32-L110 HydrophobicContact CD2-CB 4.17Å; F32-L110 HydrophobicContact CD2-CD1 4.28Å; F32-L110 HydrophobicContact CE1-CD1 3.55Å; F32-L110 HydrophobicContact CE2-CB 3.75Å; F32-L110 HydrophobicContact CE2-CD1 4.14Å; F32-L110 HydrophobicContact CG-CD1 4.06Å; F32-L110 HydrophobicContact CZ-CB 4.01Å; F32-L110 HydrophobicContact CZ-CD1 3.79Å; F32-L110 HydrophobicContact CZ-CG 4.47Å; R106-L110 WeakPolarHBondContact O-CB 3.42Å; R106-L110 PolarHBondContact O-N 2.82Å; L107-L110 PolarHBondContact O-N 2.88Å; Q108-L110 PolarHBondContact O-N 3.39Å; L110-C113 PolarHBondContact O-N 2.92Å; L110-K114 WeakPolarHBondContact O-CB 3.32Å; L110-K114 PolarHBondContact O-N 3.47Å
111F70.5Confident69.5Low82 Ų8254.3 Ų54.336%0.3631%0.308SS..Hα-helixtrans-62.8-45.8179.6-100.1-81.5000112.3L107 Q108 C113 K114 G115 F122L107-F111 WeakPolarHBondContact O-CB 3.36Å; L107-F111 WeakPolarHBondContact O-CD2 3.37Å; L107-F111 PolarHBondContact O-N 2.89Å; Q108-F111 PolarHBondContact O-N 3.19Å; F111-C113 VanDerWaalsContact C-N 3.35Å; F111-C113 PolarHBondContact O-N 3.41Å; F111-K114 PolarHBondContact O-N 2.95Å; F111-G115 PolarHBondContact O-N 3.25Å; F111-F122 HydrophobicContact CD2-CE2 4.49Å
112V72.3Confident67.6Low48 Ų4851.9 Ų51.929%0.29130%0.297SS..Hα-helixtrans-61.6-43.6177.3174.80000111Y29 Q108 K114 G115 P119Y29-V112 HydrophobicContact CE1-CB 4.09Å; Y29-V112 HydrophobicContact CE1-CG1 3.76Å; Q108-V112 VanDerWaalsContact O-CG2 3.32Å; Q108-V112 WeakPolarHBondContact O-CG2 3.49Å; Q108-V112 PolarHBondContact O-N 2.75Å; V112-K114 VanDerWaalsContact C-N 3.35Å; V112-K114 PolarHBondContact O-N 3.27Å; V112-G115 PolarHBondContact O-N 2.82Å; V112-P119 HydrophobicContact CG2-CG 4.04Å
113C73.5Confident65.6Low29 Ų2956.3 Ų56.320%0.19632%0.319CS..Hα-helixtrans-71.4-27.5-179.2-63.90000113.5Y29 F32 A109 L110 F111Y29-C113 WeakPolarHBondContact CD1-SG 3.39Å; F32-C113 HydrophobicContact CB-CB 3.56Å; A109-C113 WeakPolarHBondContact O-CB 3.45Å; A109-C113 PolarHBondContact O-N 2.85Å; A109-C113 PolarHBondContact O-SG 3.14Å; L110-C113 PolarHBondContact O-N 2.92Å; F111-C113 VanDerWaalsContact C-N 3.35Å; F111-C113 PolarHBondContact O-N 3.41Å
114K69.9Low64Low115 Ų11560.2 Ų60.250%0.534%0.338SS..Hα-helixtrans-84.8-5.8176-76.2-156.3175.1-173.90114.1L110 F111 V112 S116 V468L110-K114 WeakPolarHBondContact O-CB 3.32Å; L110-K114 PolarHBondContact O-N 3.47Å; F111-K114 PolarHBondContact O-N 2.95Å; V112-K114 VanDerWaalsContact C-N 3.35Å; V112-K114 PolarHBondContact O-N 3.27Å; K114-S116 VanDerWaalsContact C-N 3.31Å; K114-S116 PolarHBondContact O-N 2.73Å; K114-S116 PolarHBondContact O-OG 2.67Å; K114-V468 PolarHBondContact NZ-OXT 2.77Å
115G57.4Low62.2Low69 Ų6961.9 Ų61.971%0.71135%0.35SS*.THydrogen-bonded Turntrans69.224.8174.600000114.6F111 V112F111-G115 PolarHBondContact O-N 3.25Å; V112-G115 PolarHBondContact O-N 2.82Å
116S53.3Low60Low76 Ų7663 Ų6353%0.53136%0.358SS..SBendtrans-93.7-11.6-170.2-41.80000114.7K114K114-S116 VanDerWaalsContact C-N 3.31Å; K114-S116 PolarHBondContact O-N 2.73Å; K114-S116 PolarHBondContact O-OG 2.67Å
117M44.1Very low57.3Low76 Ų7665 Ų6537%0.37438%0.383SS..SBendtrans-169.5153.2175-117.1174.4-151.100110.2T121 I125M117-T121 HydrophobicContact SD-CG2 4.12Å; M117-I125 HydrophobicContact SD-CD1 4.19Å
118D52.9Low55.4Low85 Ų8566 Ų6646%0.45540%0.396SS..  trans-76.5153173.877.982.6000112A120 T121 F122D118-A120 PolarHBondContact O-N 3.4Å; D118-A120 WeakPolarHBondContact OD1-CA 3.33Å; D118-A120 VanDerWaalsContact OD1-CB 3.3Å; D118-A120 WeakPolarHBondContact OD1-CB 3.35Å; D118-A120 PolarHBondContact OD1-N 3.31Å; D118-T121 PolarHBondContact O-N 2.97Å; D118-T121 PolarHBondContact OD1-N 3.44Å; D118-T121 PolarHBondContact OD2-OG1 3.07Å; D118-F122 PolarHBondContact O-N 3.26Å
119P44.2Very low53.3Low67 Ų6768 Ų6844%0.43541%0.414SS..Hα-helixtrans-61.4-26.5-174.3-21.631.1000115V112 L123V112-P119 HydrophobicContact CG2-CG 4.04Å; P119-L123 PolarHBondContact O-N 2.91Å
120A49.3Very low50.9Low63 Ų6371.2 Ų71.252%0.52145%0.446SS..Hα-helixtrans-75.9-42.4-176.200000110.9D118 F122 L123 E124D118-A120 PolarHBondContact O-N 3.4Å; D118-A120 WeakPolarHBondContact OD1-CA 3.33Å; D118-A120 VanDerWaalsContact OD1-CB 3.3Å; D118-A120 WeakPolarHBondContact OD1-CB 3.35Å; D118-A120 PolarHBondContact OD1-N 3.31Å; A120-F122 VanDerWaalsContact C-N 3.32Å; A120-F122 PolarHBondContact O-N 3.1Å; A120-L123 WeakPolarHBondContact O-CB 3.44Å; A120-L123 PolarHBondContact O-N 2.77Å; A120-L123 VanDerWaalsContact O-N 3.13Å; A120-E124 PolarHBondContact O-N 3.37Å
121T49.2Very low48.7Very low47 Ų4776.5 Ų76.529%0.28848%0.475SS..Hα-helixtrans-63-37.1175.5-56.10000112.5M117 D118 L123 E124 I125M117-T121 HydrophobicContact SD-CG2 4.12Å; D118-T121 PolarHBondContact O-N 2.97Å; D118-T121 PolarHBondContact OD1-N 3.44Å; D118-T121 PolarHBondContact OD2-OG1 3.07Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 2.69Å; T121-E124 PolarHBondContact O-N 2.66Å; T121-I125 HydrophobicContact CG2-CD1 4.16Å; T121-I125 WeakPolarHBondContact O-CG1 3.5Å; T121-I125 PolarHBondContact O-N 2.9Å
122F42.5Very low47.1Very low28 Ų2877.3 Ų77.312%0.12349%0.486CS..Hα-helixtrans-64.4-39.4173.5-178.2-98.8000112.1Y104 Q108 F111 D118 A120 E124 I125 V126Y104-F122 HydrophobicContact CD2-CE1 4.03Å; Y104-F122 HydrophobicContact CD2-CZ 4.21Å; Y104-F122 HydrophobicContact CE2-CD1 4.21Å; Y104-F122 AromaticContact CE2-CE1 3.28Å; Y104-F122 HydrophobicContact CE2-CE1 3.28Å; Y104-F122 AromaticContact CE2-CZ 3.81Å; Y104-F122 HydrophobicContact CE2-CZ 3.81Å; Y104-F122 AromaticContact CZ-CE1 3.65Å; Q108-F122 HydrophobicContact CB-CD1 4.29Å; Q108-F122 HydrophobicContact CB-CE1 3.78Å; Q108-F122 HydrophobicContact CB-CZ 4.43Å; Q108-F122 HydrophobicContact CG-CD1 3.75Å; Q108-F122 HydrophobicContact CG-CE1 3.75Å; F111-F122 HydrophobicContact CD2-CE2 4.49Å; D118-F122 PolarHBondContact O-N 3.26Å; A120-F122 VanDerWaalsContact C-N 3.32Å; A120-F122 PolarHBondContact O-N 3.1Å; F122-E124 VanDerWaalsContact C-N 3.33Å; F122-E124 PolarHBondContact O-N 2.68Å; F122-I125 PolarHBondContact O-N 2.8Å; F122-V126 HydrophobicContact CD1-CG2 4.4Å; F122-V126 HydrophobicContact CD2-CG2 4.33Å; F122-V126 HydrophobicContact CE1-CG2 4.07Å; F122-V126 HydrophobicContact CE2-CG2 3.97Å; F122-V126 HydrophobicContact CZ-CG2 3.84Å; F122-V126 WeakPolarHBondContact O-CG2 3.41Å; F122-V126 PolarHBondContact O-N 2.64Å
123L44.4Very low45.1Very low96 Ų9682.1 Ų82.150%0.50351%0.51SS..Hα-helixtrans-66.3-32.3176.2-112.3135.1000112.6P119 A120 T121 G127P119-L123 PolarHBondContact O-N 2.91Å; A120-L123 WeakPolarHBondContact O-CB 3.44Å; A120-L123 PolarHBondContact O-N 2.77Å; A120-L123 VanDerWaalsContact O-N 3.13Å; T121-L123 VanDerWaalsContact C-N 3.34Å; T121-L123 PolarHBondContact O-N 2.69Å; L123-G127 WeakPolarHBondContact O-CA 3.39Å; L123-G127 PolarHBondContact O-N 2.8Å
124E46.7Very low42.9Very low135 Ų13584.3 Ų84.363%0.63154%0.537SS*.Hα-helixtrans-66.8-50.3169.6-91.2-178154.700111.5A120 T121 F122 V126 G127 S128A120-E124 PolarHBondContact O-N 3.37Å; T121-E124 PolarHBondContact O-N 2.66Å; F122-E124 VanDerWaalsContact C-N 3.33Å; F122-E124 PolarHBondContact O-N 2.68Å; E124-V126 VanDerWaalsContact C-N 3.28Å; E124-V126 PolarHBondContact O-N 2.73Å; E124-G127 PolarHBondContact O-N 2.94Å; E124-S128 VanDerWaalsContact O-CB 3.22Å; E124-S128 WeakPolarHBondContact O-CB 3.38Å; E124-S128 PolarHBondContact O-N 3.23Å; E124-S128 PolarHBondContact O-OG 3.09Å
125I43.9Very low41Very low101 Ų10183.7 Ų83.752%0.51855%0.548SS..Hα-helixtrans-60.7-39.3-177.5-67.4167.7000111.6M117 T121 F122M117-I125 HydrophobicContact SD-CD1 4.19Å; T121-I125 HydrophobicContact CG2-CD1 4.16Å; T121-I125 WeakPolarHBondContact O-CG1 3.5Å; T121-I125 PolarHBondContact O-N 2.9Å; F122-I125 PolarHBondContact O-N 2.8Å
126V38.6Very low39.7Very low49 Ų4991.1 Ų91.130%0.29755%0.554SS.*Hα-helixtrans-90.5-34.4-178.8-171.20000112.5Y104 F122 E124 S128 S129Y104-V126 HydrophobicContact CD2-CG1 3.85Å; Y104-V126 HydrophobicContact CE2-CB 3.68Å; Y104-V126 HydrophobicContact CE2-CG1 3.37Å; Y104-V126 HydrophobicContact CE2-CG2 3.88Å; F122-V126 HydrophobicContact CD1-CG2 4.4Å; F122-V126 HydrophobicContact CD2-CG2 4.33Å; F122-V126 HydrophobicContact CE1-CG2 4.07Å; F122-V126 HydrophobicContact CE2-CG2 3.97Å; F122-V126 HydrophobicContact CZ-CG2 3.84Å; F122-V126 WeakPolarHBondContact O-CG2 3.41Å; F122-V126 PolarHBondContact O-N 2.64Å; E124-V126 VanDerWaalsContact C-N 3.28Å; E124-V126 PolarHBondContact O-N 2.73Å; V126-S128 VanDerWaalsContact C-N 3.32Å; V126-S128 PolarHBondContact O-N 3.43Å; V126-S129 VanDerWaalsContact O-CB 3.27Å; V126-S129 WeakPolarHBondContact O-CB 3.43Å; V126-S129 PolarHBondContact O-N 3.32Å; V126-S129 PolarHBondContact O-OG 2.75Å
127G33.4Very low38.9Very low57 Ų5792.5 Ų92.559%0.58857%0.57SS**Hα-helixtrans-69.9-24.7176.200000113.7L123 E124 S129L123-G127 WeakPolarHBondContact O-CA 3.39Å; L123-G127 PolarHBondContact O-N 2.8Å; E124-G127 PolarHBondContact O-N 2.94Å; G127-S129 PolarHBondContact O-N 2.91Å
128S38.4Very low38.3Very low85 Ų8597.6 Ų97.659%0.59459%0.585SS**G310 helixtrans-7010.4168.2-67.30000114.1E124 V126 G130E124-S128 VanDerWaalsContact O-CB 3.22Å; E124-S128 WeakPolarHBondContact O-CB 3.38Å; E124-S128 PolarHBondContact O-N 3.23Å; E124-S128 PolarHBondContact O-OG 3.09Å; V126-S128 VanDerWaalsContact C-N 3.32Å; V126-S128 PolarHBondContact O-N 3.43Å; S128-G130 PolarHBondContact O-N 3.22Å
129S37.1Very low37.2Very low76 Ų76104.8 Ų104.853%0.53161%0.606SS.*G310 helixtrans-64.17.1167.9-61.80000114.6V126 G127 N131V126-S129 VanDerWaalsContact O-CB 3.27Å; V126-S129 WeakPolarHBondContact O-CB 3.43Å; V126-S129 PolarHBondContact O-N 3.32Å; V126-S129 PolarHBondContact O-OG 2.75Å; G127-S129 PolarHBondContact O-N 2.91Å; S129-N131 PolarHBondContact O-N 2.91Å
130G31.3Very low36.7Very low67 Ų67106.6 Ų106.669%0.69161%0.611SS**G310 helixtrans-67.7-2.8170.800000115.8S128S128-G130 PolarHBondContact O-N 3.22Å
131N30.6Very low36Very low156 Ų156106.7 Ų106.783%0.83461%0.608SS**G310 helixtrans-160.545.2172.4-104.7-16.7000112.3S129 D133S129-N131 PolarHBondContact O-N 2.91Å; N131-D133 PolarHBondContact O-N 3.39Å
132V35.5Very low35.5Very low99 Ų99110.9 Ų110.960%0.663%0.633SS**  trans-73.990158.7-174.60000105.9G134V132-G134 PolarHBondContact O-N 3.29Å
133D30.3Very low35.4Very low149 Ų149116.2 Ų116.280%0.79766%0.663SS**  trans-41.1124.1168.5-151.92000108.1N131 S135N131-D133 PolarHBondContact O-N 3.39Å; D133-S135 PolarHBondContact O-N 2.75Å; D133-S135 PolarHBondContact O-OG 2.87Å
134G28.7Very low35.5Very low74 Ų74113.5 Ų113.576%0.76365%0.65SS**SBendtrans-57.352.8-153.200000118V132 R136V132-G134 PolarHBondContact O-N 3.29Å; G134-R136 PolarHBondContact O-N 3.14Å
135S29.6Very low35.9Very low102 Ų102111.1 Ų111.171%0.71364%0.641SS**  trans-75.180164.4-60.40000106.2D133 A137D133-S135 PolarHBondContact O-N 2.75Å; D133-S135 PolarHBondContact O-OG 2.87Å; S135-A137 PolarHBondContact O-N 2.75Å
136R29.5Very low36.8Very low226 Ų226109.6 Ų109.685%0.85363%0.629SS**  trans-29.9114.9161.9-85.4174.8162.5169.3-4.3107.9G134 R138G134-R136 PolarHBondContact O-N 3.14Å; R136-R138 PolarHBondContact O-N 2.74Å
137A36Very low38.4Very low104 Ų104107.3 Ų107.386%0.8662%0.616SS**  trans-54.493.3161.400000106.1S135 R139S135-A137 PolarHBondContact O-N 2.75Å; A137-R139 PolarHBondContact O-N 3.06Å
138R32.6Very low40.6Very low184 Ų184105.6 Ų105.669%0.69459%0.593SS**  trans-64.5124.4-175.9-72.3-176.1-161.3168.16.8105.4R136 I140R136-R138 PolarHBondContact O-N 2.74Å; R138-I140 PolarHBondContact O-N 3.24Å
139R30.1Very low42.8Very low235 Ų235101.9 Ų101.989%0.88757%0.566SS**  trans-51.3111.8164.4-82-175.1-176.5165.35.8107.5A137 S141A137-R139 PolarHBondContact O-N 3.06Å; R139-S141 PolarHBondContact O-N 3.28Å
140I33.7Very low45.2Very low106 Ų10698.5 Ų98.554%0.54454%0.543SS..  trans-71.2111.9-178.8-59178000106.7R138 Y146R138-I140 PolarHBondContact O-N 3.24Å; I140-Y146 HydrophobicContact CB-CE2 4.42Å; I140-Y146 HydrophobicContact CD1-CD2 4.19Å; I140-Y146 HydrophobicContact CD1-CE2 4.12Å; I140-Y146 HydrophobicContact CG1-CD2 4.21Å; I140-Y146 HydrophobicContact CG1-CE2 3.82Å; I140-Y146 HydrophobicContact CG2-CD2 3.69Å; I140-Y146 HydrophobicContact CG2-CE2 3.99Å
141S33.6Very low48Very low65 Ų6595.3 Ų95.346%0.45551%0.51SS..  trans-60.8141168.7149.90000108.6R139 D143 T144R139-S141 PolarHBondContact O-N 3.28Å; S141-D143 PolarHBondContact O-N 3Å; S141-D143 VanDerWaalsContact O-N 3.07Å; S141-D143 PolarHBondContact OG-N 3.18Å; S141-T144 WeakPolarHBondContact CA-OG1 2.93Å; S141-T144 WeakPolarHBondContact CB-OG1 3.31Å; S141-T144 PolarHBondContact N-OG1 2.88Å; S141-T144 VanDerWaalsContact O-CB 3.27Å; S141-T144 WeakPolarHBondContact O-CB 2.85Å; S141-T144 PolarHBondContact O-N 3.39Å; S141-T144 PolarHBondContact O-OG1 3.4Å
142T38.4Very low50.5Low135 Ų13590 Ų9083%0.82848%0.484SS*.THydrogen-bonded Turntrans-58.6-19.417846.90000113.6
143D41.1Very low52.8Low139 Ų13987.8 Ų87.874%0.74347%0.469SS*.THydrogen-bonded Turntrans-89.7-0.6175-69.4-24.1000113.3S141 I145S141-D143 PolarHBondContact O-N 3Å; S141-D143 VanDerWaalsContact O-N 3.07Å; S141-D143 PolarHBondContact OG-N 3.18Å; D143-I145 PolarHBondContact O-N 3.09Å
144T46.9Very low55.2Low39 Ų3983.9 Ų83.924%0.23945%0.447CS..  trans-78.6117.4-178.4-330000109.7S141 Y146S141-T144 WeakPolarHBondContact CA-OG1 2.93Å; S141-T144 WeakPolarHBondContact CB-OG1 3.31Å; S141-T144 PolarHBondContact N-OG1 2.88Å; S141-T144 VanDerWaalsContact O-CB 3.27Å; S141-T144 WeakPolarHBondContact O-CB 2.85Å; S141-T144 PolarHBondContact O-N 3.39Å; S141-T144 PolarHBondContact O-OG1 3.4Å; T144-Y146 HydrophobicContact CG2-CD2 3.53Å; T144-Y146 HydrophobicContact CG2-CE2 3.69Å; T144-Y146 PolarHBondContact O-N 2.94Å
145I55.4Low57.5Low86 Ų8682.8 Ų82.844%0.44144%0.436SS..  trans-77.958.9179.4-36.6179.6000108.9D143 I148D143-I145 PolarHBondContact O-N 3.09Å; I145-I148 HydrophobicContact CB-CD1 4.47Å; I145-I148 HydrophobicContact CG2-CB 3.53Å; I145-I148 HydrophobicContact CG2-CD1 3.29Å; I145-I148 HydrophobicContact CG2-CG1 3.93Å; I145-I148 HydrophobicContact CG2-CG2 3.67Å
146Y62.6Low60.2Low68 Ų6881 Ų8127%0.26742%0.418SS..THydrogen-bonded Turntrans-65.1140.4179.3-104.1-91.1000110.8I140 T144 I148 F203I140-Y146 HydrophobicContact CB-CE2 4.42Å; I140-Y146 HydrophobicContact CD1-CD2 4.19Å; I140-Y146 HydrophobicContact CD1-CE2 4.12Å; I140-Y146 HydrophobicContact CG1-CD2 4.21Å; I140-Y146 HydrophobicContact CG1-CE2 3.82Å; I140-Y146 HydrophobicContact CG2-CD2 3.69Å; I140-Y146 HydrophobicContact CG2-CE2 3.99Å; T144-Y146 HydrophobicContact CG2-CD2 3.53Å; T144-Y146 HydrophobicContact CG2-CE2 3.69Å; T144-Y146 PolarHBondContact O-N 2.94Å; Y146-I148 VanDerWaalsContact C-N 3.29Å; Y146-I148 PolarHBondContact O-N 3.06Å; Y146-F203 WeakPolarHBondContact CD1-O 3.25Å; Y146-F203 VanDerWaalsContact CE1-O 3.22Å; Y146-F203 WeakPolarHBondContact CE1-O 3.39Å
147G71.1Confident63.1Low2 Ų270.5 Ų70.52%0.02138%0.379CS..THydrogen-bonded Turntrans78.28.6177.600000114.8H169 F202G147-H169 PolarHBondContact O-CE1 3.31Å; G147-H169 PolarHBondContact O-NE2 3.35Å; G147-F202 WeakPolarHBondContact CA-O 3.49Å; G147-F202 PolarHBondContact N-O 3.19Å; G147-F202 WeakPolarHBondContact O-CD1 3.27Å
148I79.1Confident65.9Low20 Ų2065.8 Ų65.810%0.10334%0.34CS..  trans-123.1112.5-171.1-65.8159000109.4I145 Y146 R430 L436 I443I145-I148 HydrophobicContact CB-CD1 4.47Å; I145-I148 HydrophobicContact CG2-CB 3.53Å; I145-I148 HydrophobicContact CG2-CD1 3.29Å; I145-I148 HydrophobicContact CG2-CG1 3.93Å; I145-I148 HydrophobicContact CG2-CG2 3.67Å; Y146-I148 VanDerWaalsContact C-N 3.29Å; Y146-I148 PolarHBondContact O-N 3.06Å; I148-R430 HydrophobicContact CD1-CG 4.26Å; I148-L436 HydrophobicContact CD1-CD1 3.42Å; I148-L436 VanDerWaalsContact CD1-CD1 3.42Å; I148-L436 HydrophobicContact CG1-CD1 3.77Å; I148-L436 HydrophobicContact CG2-CD1 3.99Å; I148-I443 HydrophobicContact CG2-CB 4.21Å; I148-I443 HydrophobicContact CG2-CG1 4.24Å; I148-I443 HydrophobicContact CG2-CG2 3.61Å
149R86.2Confident68.9Low7 Ų757.2 Ų57.23%0.02631%0.308CS..  trans-137.1147.1175.7-76.8-174.1-174.9-133.622.3111.1Q165 E201 F202 E206 G208R149-Q165 PolarHBondContact O-NE2 2.97Å; R149-E201 VanDerWaalsContact CZ-O 3.31Å; R149-E201 PolarHBondContact NE-O 2.94Å; R149-E201 VanDerWaalsContact NE-O 3.1Å; R149-E201 PolarHBondContact NH2-O 3.04Å; R149-F202 HydrophobicContact CB-CD1 4.28Å; R149-F202 HydrophobicContact CB-CD2 4.4Å; R149-F202 HydrophobicContact CB-CE1 4Å; R149-F202 HydrophobicContact CB-CE2 4.13Å; R149-F202 HydrophobicContact CB-CG 4.46Å; R149-F202 HydrophobicContact CB-CZ 3.91Å; R149-E206 IonicContact CZ-OE2 2.64Å; R149-E206 PolarHBondContact NE-O 3.23Å; R149-E206 VanDerWaalsContact NE-O 3.08Å; R149-E206 IonicContact NH1-OE2 3.8Å; R149-E206 PolarHBondContact NH1-OE2 2.92Å; R149-E206 IonicContact NH2-OE2 3.96Å; R149-E206 PolarHBondContact NH2-OE2 2.83Å; R149-G208 VanDerWaalsContact CD-O 3.31Å; R149-G208 WeakPolarHBondContact CD-O 3.44Å; R149-G208 PolarHBondContact NH1-O 3.11Å
150G87.3Confident72Confident5 Ų546 Ų465%0.05227%0.266CS..PPolyproline II helixtrans-72.9139.7166.300000111F210 D440G150-F210 PolarHBondContact O-N 2.8Å; G150-D440 CarbonylContact C-O 3.5Å; G150-D440 VanDerWaalsContact CA-O 3.26Å; G150-D440 WeakPolarHBondContact CA-O 3.41Å
151L89.9Confident75Confident0 Ų041.1 Ų41.10%024%0.24CC..BIsolated β-bridgetrans-98128173.7-69.6172.9000109.5N153 N161 L164 Q165 F202 F210 P212 D440 N441L151-N153 PolarHBondContact O-N 2.91Å; L151-N161 HydrophobicContact CB-CB 4.1Å; L151-N161 WeakPolarHBondContact CB-OD1 3.32Å; L151-N161 HydrophobicContact CD1-CB 4.02Å; L151-L164 HydrophobicContact CD1-CB 3.83Å; L151-L164 HydrophobicContact CD1-CD1 4.16Å; L151-Q165 HydrophobicContact CD1-CG 4.07Å; L151-F202 HydrophobicContact CD2-CE2 3.92Å; L151-F202 HydrophobicContact CD2-CZ 3.66Å; L151-F202 HydrophobicContact CG-CZ 4.03Å; L151-F210 WeakPolarHBondContact CA-O 3.41Å; L151-F210 HydrophobicContact CD2-CB 4.13Å; L151-F210 HydrophobicContact CD2-CD1 3.96Å; L151-F210 HydrophobicContact CD2-CG 4.49Å; L151-P212 HydrophobicContact CB-CG 4.48Å; L151-P212 HydrophobicContact CD2-CB 4.22Å; L151-P212 HydrophobicContact CD2-CG 4.19Å; L151-D440 PolarHBondContact N-O 2.84Å; L151-D440 CarbonylContact O-C 3.52Å; L151-D440 VanDerWaalsContact O-CA 3.26Å; L151-D440 WeakPolarHBondContact O-CA 3.34Å; L151-D440 WeakPolarHBondContact O-CB 3.44Å; L151-N441 WeakPolarHBondContact O-CA 3.43Å; L151-N441 PolarHBondContact O-N 3.48Å
152V82.6Confident78Confident46 Ų4638.2 Ų38.228%0.27922%0.22SC..PPolyproline II helixtrans-64.8132.6177.8-1790000109.4L154 N161 L209 F210V152-L154 HydrophobicContact CB-CD2 4.47Å; V152-L154 HydrophobicContact CG1-CD2 4.05Å; V152-L154 PolarHBondContact O-N 3.1Å; V152-N161 PolarHBondContact O-ND2 3Å; V152-L209 HydrophobicContact CG2-CB 3.89Å; V152-L209 HydrophobicContact CG2-CD1 4.28Å; V152-F210 PolarHBondContact N-O 3.36Å
153N84.5Confident80.8Confident52 Ų5231.8 Ų31.828%0.27818%0.181SC..PPolyproline II helixtrans-79.2116.8170-165.9-20000109.7L151 G155 T157 D440L151-N153 PolarHBondContact O-N 2.91Å; N153-G155 PolarHBondContact O-N 3.3Å; N153-G155 PolarHBondContact OD1-N 3.48Å; N153-G155 VanDerWaalsContact OD1-N 3.11Å; N153-G155 PolarHBondContact OD1-O 3.47Å; N153-T157 WeakPolarHBondContact CA-OG1 3.31Å; N153-T157 PolarHBondContact OD1-N 3Å; N153-T157 VanDerWaalsContact OD1-N 3.09Å; N153-T157 PolarHBondContact OD1-OG1 3.42Å; N153-D440 HydrophobicContact CB-CB 4.06Å; N153-D440 WeakPolarHBondContact CB-OD2 3.29Å; N153-D440 PolarHBondContact ND2-OD2 2.85Å
154L79.3Confident83.4Confident67 Ų6725.2 Ų25.235%0.35115%0.145SC..  trans-90.726.9-178.9-54174.7000112.6V152 T157 L216V152-L154 HydrophobicContact CB-CD2 4.47Å; V152-L154 HydrophobicContact CG1-CD2 4.05Å; V152-L154 PolarHBondContact O-N 3.1Å; L154-T157 HydrophobicContact CB-CG2 3.87Å; L154-T157 PolarHBondContact N-OG1 2.99Å; L154-L216 HydrophobicContact CB-CD2 4.44Å; L154-L216 HydrophobicContact CD1-CD2 4.06Å
155G77.6Confident85.8Confident50 Ų5023.6 Ų23.652%0.51514%0.135SC..SBendtrans124.2-93.7-177.300000110.9N153N153-G155 PolarHBondContact O-N 3.3Å; N153-G155 PolarHBondContact OD1-N 3.48Å; N153-G155 VanDerWaalsContact OD1-N 3.11Å; N153-G155 PolarHBondContact OD1-O 3.47Å
156N87.4Confident87.7Confident64 Ų6419.5 Ų19.534%0.34211%0.114SC..SBendtrans-109.833.4179.9-74.7-41.4000112.5C158 F159 F229 Q231N156-C158 PolarHBondContact O-N 2.98Å; N156-F159 WeakPolarHBondContact O-CD1 3.37Å; N156-F159 WeakPolarHBondContact O-CE1 3.47Å; N156-F229 PolarHBondContact ND2-O 3.04Å; N156-Q231 HydrophobicContact CB-CG 3.97Å; N156-Q231 PolarHBondContact OD1-NE2 2.93Å
157T89.6Confident89.3Confident6 Ų616.3 Ų16.34%0.03710%0.101CC..THydrogen-bonded Turntrans-93.111.4-170.156.80000115.1N153 L154 F159 L160 N161 L216N153-T157 WeakPolarHBondContact CA-OG1 3.31Å; N153-T157 PolarHBondContact OD1-N 3Å; N153-T157 VanDerWaalsContact OD1-N 3.09Å; N153-T157 PolarHBondContact OD1-OG1 3.42Å; L154-T157 HydrophobicContact CB-CG2 3.87Å; L154-T157 PolarHBondContact N-OG1 2.99Å; T157-F159 PolarHBondContact O-N 2.7Å; T157-L160 WeakPolarHBondContact O-CB 3.41Å; T157-L160 PolarHBondContact O-N 3.37Å; T157-N161 PolarHBondContact O-N 3.08Å; T157-L216 HydrophobicContact CG2-CD1 4Å; T157-L216 HydrophobicContact CG2-CD2 3.88Å
158C95.3Very high90.3Very high5 Ų516.3 Ų16.33%0.03410%0.101CC..Hα-helixtrans-61.1-32.5179.658.90000112.7N156 L160 N161 C162 H423N156-C158 PolarHBondContact O-N 2.98Å; C158-L160 VanDerWaalsContact C-N 3.34Å; C158-N161 PolarHBondContact O-N 2.88Å; C158-C162 WeakPolarHBondContact O-CB 3.33Å; C158-C162 PolarHBondContact O-N 3.29Å; C158-H423 VanDerWaalsContact CB-CE1 3.45Å; C158-H423 WeakPolarHBondContact CB-CE1 3.37Å; C158-H423 WeakPolarHBondContact CB-ND1 3.28Å
159F95.5Very high90.9Very high4 Ų416.5 Ų16.52%0.01810%0.102CC..Hα-helixtrans-61.6-42.2173.376.3-86.1000111.4N156 T157 C162 I163 Q232 A234 L237 Y424N156-F159 WeakPolarHBondContact O-CD1 3.37Å; N156-F159 WeakPolarHBondContact O-CE1 3.47Å; T157-F159 PolarHBondContact O-N 2.7Å; F159-C162 PolarHBondContact O-SG 3.49Å; F159-I163 WeakPolarHBondContact O-CG1 3.29Å; F159-Q232 WeakPolarHBondContact CB-O 3.39Å; F159-Q232 HydrophobicContact CD1-CB 3.97Å; F159-Q232 HydrophobicContact CD2-CB 3.84Å; F159-Q232 HydrophobicContact CE1-CB 3.88Å; F159-Q232 HydrophobicContact CE1-CG 4.08Å; F159-Q232 HydrophobicContact CE2-CB 3.75Å; F159-Q232 HydrophobicContact CE2-CG 4.27Å; F159-Q232 HydrophobicContact CG-CB 3.97Å; F159-Q232 HydrophobicContact CZ-CB 3.78Å; F159-Q232 HydrophobicContact CZ-CG 3.9Å; F159-A234 HydrophobicContact CB-CB 4.22Å; F159-L237 HydrophobicContact CD2-CB 3.99Å; F159-L237 HydrophobicContact CD2-CD2 3.59Å; F159-L237 HydrophobicContact CD2-CG 4.33Å; F159-L237 HydrophobicContact CE2-CB 4.25Å; F159-L237 HydrophobicContact CE2-CD1 4.46Å; F159-L237 HydrophobicContact CE2-CD2 3.77Å; F159-L237 HydrophobicContact CE2-CG 4.38Å; F159-Y424 HydrophobicContact CB-CD2 3.77Å; F159-Y424 HydrophobicContact CB-CE2 4Å
160L95.1Very high91.1Very high1 Ų116.2 Ų16.21%0.00510%0.1CC..Hα-helixtrans-66.4-51.2174.717662.9000111.1T157 C158 C162 I163 L164 M215 L216 V219 L237T157-L160 WeakPolarHBondContact O-CB 3.41Å; T157-L160 PolarHBondContact O-N 3.37Å; C158-L160 VanDerWaalsContact C-N 3.34Å; L160-C162 VanDerWaalsContact C-N 3.3Å; L160-C162 PolarHBondContact O-N 3.02Å; L160-I163 PolarHBondContact O-N 2.9Å; L160-L164 HydrophobicContact CD1-CD1 3.78Å; L160-L164 HydrophobicContact CD1-CD2 4.19Å; L160-L164 HydrophobicContact CD1-CG 3.76Å; L160-L164 HydrophobicContact CD2-CD1 4.28Å; L160-L164 HydrophobicContact CG-CD1 3.71Å; L160-L164 HydrophobicContact CG-CG 4.1Å; L160-L164 WeakPolarHBondContact O-CG 3.39Å; L160-L164 PolarHBondContact O-N 3.02Å; L160-M215 HydrophobicContact CD1-CG 4.23Å; L160-L216 HydrophobicContact CD2-CB 3.92Å; L160-L216 HydrophobicContact CD2-CD1 3.92Å; L160-V219 HydrophobicContact CD1-CG2 4.09Å; L160-L237 VanDerWaalsContact CA-CD2 3.47Å; L160-L237 HydrophobicContact CB-CD2 4.08Å; L160-L237 HydrophobicContact CD1-CD2 3.72Å
161N95.6Very high91Very high3 Ų317.6 Ų17.62%0.01611%0.105CC..Hα-helixtrans-58.9-42.4-175.5-70.5-14.6000111.9L151 V152 T157 C158 I163 L164 Q165 D440L151-N161 HydrophobicContact CB-CB 4.1Å; L151-N161 WeakPolarHBondContact CB-OD1 3.32Å; L151-N161 HydrophobicContact CD1-CB 4.02Å; V152-N161 PolarHBondContact O-ND2 3Å; T157-N161 PolarHBondContact O-N 3.08Å; C158-N161 PolarHBondContact O-N 2.88Å; N161-I163 PolarHBondContact O-N 2.78Å; N161-L164 PolarHBondContact O-N 3.32Å; N161-Q165 WeakPolarHBondContact O-CB 3.16Å; N161-Q165 WeakPolarHBondContact O-CG 3.45Å; N161-Q165 PolarHBondContact O-N 3.43Å; N161-D440 PolarHBondContact ND2-OD1 2.89Å
162C97.3Very high90.9Very high3 Ų319 Ų192%0.0211%0.112CC..Hα-helixtrans-65.5-38.9-179.676.60000112.3C158 F159 L160 I166 V413C158-C162 WeakPolarHBondContact O-CB 3.33Å; C158-C162 PolarHBondContact O-N 3.29Å; F159-C162 PolarHBondContact O-SG 3.49Å; L160-C162 VanDerWaalsContact C-N 3.3Å; L160-C162 PolarHBondContact O-N 3.02Å; C162-I166 VanDerWaalsContact O-CG1 3.3Å; C162-I166 WeakPolarHBondContact O-CG1 3.41Å; C162-I166 PolarHBondContact O-N 3.27Å; C162-V413 HydrophobicContact CB-CG1 4.36Å
163I97.7Very high91.2Very high1 Ų116.9 Ų16.91%0.00510%0.099CC..Hα-helixtrans-72-42.4177.6-63.5-54.8000111.4F159 L160 N161 Q165 I166 L167 A234 L237 V413 M458F159-I163 WeakPolarHBondContact O-CG1 3.29Å; L160-I163 PolarHBondContact O-N 2.9Å; N161-I163 PolarHBondContact O-N 2.78Å; I163-Q165 VanDerWaalsContact C-N 3.31Å; I163-Q165 PolarHBondContact O-N 2.79Å; I163-I166 WeakPolarHBondContact O-CB 3.3Å; I163-I166 PolarHBondContact O-N 2.97Å; I163-I166 VanDerWaalsContact O-N 3.11Å; I163-L167 HydrophobicContact CG2-CD1 4.05Å; I163-L167 HydrophobicContact CG2-CG 4.27Å; I163-L167 WeakPolarHBondContact O-CG 3.45Å; I163-L167 PolarHBondContact O-N 3.05Å; I163-A234 HydrophobicContact CD1-CB 4.17Å; I163-A234 HydrophobicContact CG1-CB 4.11Å; I163-A234 WeakPolarHBondContact CG1-O 3.44Å; I163-L237 HydrophobicContact CB-CD2 4.16Å; I163-L237 HydrophobicContact CG1-CD2 4.23Å; I163-L237 HydrophobicContact CG2-CD2 4.5Å; I163-V413 HydrophobicContact CD1-CG2 4.41Å; I163-M458 HydrophobicContact CD1-CE 4.29Å; I163-M458 HydrophobicContact CD1-SD 4.04Å
164L96.2Very high91.2Very high1 Ų115.9 Ų15.91%0.0059%0.093CC..Hα-helixtrans-59.6-43.3175.4-69.5178.6000111.6L151 L160 N161 I166 L167 L168 L198 P212 M215L151-L164 HydrophobicContact CD1-CB 3.83Å; L151-L164 HydrophobicContact CD1-CD1 4.16Å; L160-L164 HydrophobicContact CD1-CD1 3.78Å; L160-L164 HydrophobicContact CD1-CD2 4.19Å; L160-L164 HydrophobicContact CD1-CG 3.76Å; L160-L164 HydrophobicContact CD2-CD1 4.28Å; L160-L164 HydrophobicContact CG-CD1 3.71Å; L160-L164 HydrophobicContact CG-CG 4.1Å; L160-L164 WeakPolarHBondContact O-CG 3.39Å; L160-L164 PolarHBondContact O-N 3.02Å; N161-L164 PolarHBondContact O-N 3.32Å; L164-I166 VanDerWaalsContact C-N 3.29Å; L164-I166 PolarHBondContact O-N 2.95Å; L164-L167 PolarHBondContact O-N 3.45Å; L164-L168 VanDerWaalsContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CD1 3.39Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 2.88Å; L164-L198 HydrophobicContact CB-CD2 4.48Å; L164-L198 HydrophobicContact CD1-CD2 4.1Å; L164-L198 HydrophobicContact CD2-CD2 4.07Å; L164-L198 HydrophobicContact CG-CD2 4.45Å; L164-P212 HydrophobicContact CD1-CB 4Å; L164-M215 HydrophobicContact CD1-CB 4.37Å; L164-M215 HydrophobicContact CD1-CG 3.78Å; L164-M215 HydrophobicContact CD2-CE 4.29Å; L164-M215 HydrophobicContact CD2-CG 3.72Å; L164-M215 HydrophobicContact CD2-SD 4.19Å; L164-M215 HydrophobicContact CG-CG 4.33Å
165Q95.8Very high91.3Very high4 Ų416.9 Ų16.92%0.01910%0.099CC..Hα-helixtrans-57.5-43175.2-71.7-70.6-7.900111.6R149 L151 N161 I163 H169 S426 L428 C438R149-Q165 PolarHBondContact O-NE2 2.97Å; L151-Q165 HydrophobicContact CD1-CG 4.07Å; N161-Q165 WeakPolarHBondContact O-CB 3.16Å; N161-Q165 WeakPolarHBondContact O-CG 3.45Å; N161-Q165 PolarHBondContact O-N 3.43Å; I163-Q165 VanDerWaalsContact C-N 3.31Å; I163-Q165 PolarHBondContact O-N 2.79Å; Q165-H169 WeakPolarHBondContact O-CB 3.22Å; Q165-H169 PolarHBondContact O-N 3.1Å; Q165-H169 VanDerWaalsContact O-N 3.15Å; Q165-H169 PolarHBondContact O-ND1 2.74Å; Q165-H169 PolarHBondContact OE1-CE1 3.27Å; Q165-H169 VanDerWaalsContact OE1-CE1 3.28Å; Q165-S426 WeakPolarHBondContact CB-OG 3.38Å; Q165-L428 HydrophobicContact CB-CD1 3.97Å; Q165-C438 HydrophobicContact CB-CB 4.47Å; Q165-C438 HydrophobicContact CG-CB 4.02Å
166I96.9Very high91.6Very high0 Ų015.6 Ų15.60%08%0.079CC..Hα-helixtrans-62.9-50.8176.7-66.1-77000111.2C162 I163 L164 L168 H169 T170 V413 L428 F460C162-I166 VanDerWaalsContact O-CG1 3.3Å; C162-I166 WeakPolarHBondContact O-CG1 3.41Å; C162-I166 PolarHBondContact O-N 3.27Å; I163-I166 WeakPolarHBondContact O-CB 3.3Å; I163-I166 PolarHBondContact O-N 2.97Å; I163-I166 VanDerWaalsContact O-N 3.11Å; L164-I166 VanDerWaalsContact C-N 3.29Å; L164-I166 PolarHBondContact O-N 2.95Å; I166-L168 PolarHBondContact O-N 2.81Å; I166-H169 CarbonylContact O-C 3.52Å; I166-H169 PolarHBondContact O-N 3.43Å; I166-T170 PolarHBondContact O-N 3.41Å; I166-T170 PolarHBondContact O-OG1 2.91Å; I166-V413 HydrophobicContact CD1-CG2 4.42Å; I166-V413 HydrophobicContact CG1-CG2 4.08Å; I166-L428 HydrophobicContact CD1-CD2 3.58Å; I166-L428 HydrophobicContact CG1-CD2 4.35Å; I166-F460 HydrophobicContact CB-CE2 4.49Å; I166-F460 HydrophobicContact CD1-CD2 3.7Å; I166-F460 HydrophobicContact CD1-CE2 4.05Å; I166-F460 HydrophobicContact CD1-CG 4.27Å; I166-F460 HydrophobicContact CG1-CD2 4.18Å; I166-F460 HydrophobicContact CG1-CE2 4.03Å; I166-F460 HydrophobicContact CG2-CB 4.5Å; I166-F460 HydrophobicContact CG2-CD1 3.65Å; I166-F460 HydrophobicContact CG2-CD2 3.89Å; I166-F460 HydrophobicContact CG2-CE1 3.68Å; I166-F460 HydrophobicContact CG2-CE2 3.91Å; I166-F460 HydrophobicContact CG2-CG 3.74Å; I166-F460 HydrophobicContact CG2-CZ 3.79Å
167L95.3Very high91.1Very high1 Ų113.1 Ų13.11%0.0057%0.065CC..Hα-helixtrans-61.8-46.7-178.3-66.5177.2000111.6I163 L164 H169 T170 M241 M242 F267I163-L167 HydrophobicContact CG2-CD1 4.05Å; I163-L167 HydrophobicContact CG2-CG 4.27Å; I163-L167 WeakPolarHBondContact O-CG 3.45Å; I163-L167 PolarHBondContact O-N 3.05Å; L164-L167 PolarHBondContact O-N 3.45Å; L167-H169 PolarHBondContact O-N 2.95Å; L167-T170 WeakPolarHBondContact O-CB 3.38Å; L167-T170 PolarHBondContact O-N 2.99Å; L167-T170 VanDerWaalsContact O-N 3.13Å; L167-M241 HydrophobicContact CD1-CE 3.8Å; L167-M242 HydrophobicContact CD2-CE 3.86Å; L167-F267 HydrophobicContact CD2-CE2 4.37Å; L167-F267 HydrophobicContact CD2-CZ 3.9Å
168L92.1Very high90.3Very high2 Ų218.8 Ų18.81%0.019%0.094CC..Hα-helixtrans-65.1-25.9179.7-67170.2000113.3L164 I166 Q174 L195 L198 L199 F202L164-L168 VanDerWaalsContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CD1 3.39Å; L164-L168 WeakPolarHBondContact O-CG 3.29Å; L164-L168 PolarHBondContact O-N 2.88Å; I166-L168 PolarHBondContact O-N 2.81Å; L168-Q174 WeakPolarHBondContact O-CG 3.26Å; L168-Q174 PolarHBondContact O-NE2 2.91Å; L168-L195 HydrophobicContact CD2-CD1 4.01Å; L168-L198 HydrophobicContact CD1-CD2 3.68Å; L168-L198 HydrophobicContact CD1-CG 3.73Å; L168-L198 HydrophobicContact CD2-CB 4.24Å; L168-L198 HydrophobicContact CD2-CD2 4.06Å; L168-L198 HydrophobicContact CD2-CG 3.9Å; L168-L198 HydrophobicContact CG-CD2 4.19Å; L168-L198 HydrophobicContact CG-CG 4.36Å; L168-L199 HydrophobicContact CD2-CB 4.12Å; L168-L199 HydrophobicContact CD2-CD1 4.19Å; L168-F202 HydrophobicContact CD1-CD1 3.78Å; L168-F202 HydrophobicContact CD1-CD2 4.14Å; L168-F202 HydrophobicContact CD1-CE1 3.52Å; L168-F202 HydrophobicContact CD1-CE2 3.89Å; L168-F202 HydrophobicContact CD1-CG 4.1Å; L168-F202 HydrophobicContact CD1-CZ 3.58Å
169H91.5Very high89.1Confident25 Ų2522.4 Ų22.412%0.11612%0.117CC..THydrogen-bonded Turntrans-1007.2177.4-69.181.4000113.5G147 Q165 I166 L167 E171 L428G147-H169 PolarHBondContact O-CE1 3.31Å; G147-H169 PolarHBondContact O-NE2 3.35Å; Q165-H169 WeakPolarHBondContact O-CB 3.22Å; Q165-H169 PolarHBondContact O-N 3.1Å; Q165-H169 VanDerWaalsContact O-N 3.15Å; Q165-H169 PolarHBondContact O-ND1 2.74Å; Q165-H169 PolarHBondContact OE1-CE1 3.27Å; Q165-H169 VanDerWaalsContact OE1-CE1 3.28Å; I166-H169 CarbonylContact O-C 3.52Å; I166-H169 PolarHBondContact O-N 3.43Å; L167-H169 PolarHBondContact O-N 2.95Å; H169-E171 PolarHBondContact O-N 2.93Å; H169-L428 HydrophobicContact CB-CD1 3.85Å; H169-L428 HydrophobicContact CB-CD2 4.08Å; H169-L428 HydrophobicContact CB-CG 4.49Å; H169-L428 VanDerWaalsContact CG-CD1 3.44Å; H169-L428 VanDerWaalsContact ND1-CD1 3.29Å; H169-L428 WeakPolarHBondContact ND1-CD1 3.16Å
170T91Very high87.5Confident0 Ų025 Ų250%014%0.136CC..  trans-84.2109.5170.9-60.20000108.8I166 L167 Q172 V173 Q174 V266 F267 V348 Y410I166-T170 PolarHBondContact O-N 3.41Å; I166-T170 PolarHBondContact O-OG1 2.91Å; L167-T170 WeakPolarHBondContact O-CB 3.38Å; L167-T170 PolarHBondContact O-N 2.99Å; L167-T170 VanDerWaalsContact O-N 3.13Å; T170-Q172 HydrophobicContact CG2-CB 4.48Å; T170-Q172 PolarHBondContact O-N 3.24Å; T170-Q172 VanDerWaalsContact O-N 3.16Å; T170-V173 HydrophobicContact CG2-CB 4.45Å; T170-V173 HydrophobicContact CG2-CG2 3.84Å; T170-V173 WeakPolarHBondContact O-CA 3.47Å; T170-V173 WeakPolarHBondContact O-CB 3.22Å; T170-V173 PolarHBondContact O-N 3.14Å; T170-Q174 PolarHBondContact O-N 3.44Å; T170-V266 HydrophobicContact CG2-CG1 4.27Å; T170-F267 HydrophobicContact CG2-CE1 4.3Å; T170-F267 HydrophobicContact CG2-CZ 4.1Å; T170-V348 HydrophobicContact CG2-CG2 3.79Å; T170-Y410 PolarHBondContact OG1-OH 2.86Å
171E85.6Confident86.2Confident34 Ų3426.8 Ų26.816%0.15915%0.148CC..Hα-helixtrans-54.6-38-174.3-71169.9-168.300113.2H169 V173 Q174 N175 L431 R462H169-E171 PolarHBondContact O-N 2.93Å; E171-V173 VanDerWaalsContact C-N 3.31Å; E171-V173 PolarHBondContact O-N 3.34Å; E171-Q174 WeakPolarHBondContact O-CB 3.2Å; E171-Q174 PolarHBondContact O-N 3.25Å; E171-N175 WeakPolarHBondContact O-CB 3.42Å; E171-N175 PolarHBondContact O-N 3.46Å; E171-N175 PolarHBondContact O-ND2 3.38Å; E171-L431 WeakPolarHBondContact OE1-CD2 3.31Å; E171-L431 WeakPolarHBondContact OE1-CG 3.46Å; E171-R462 IonicContact OE1-CZ 3.9Å; E171-R462 IonicContact OE1-NH1 2.83Å; E171-R462 PolarHBondContact OE1-NH1 2.88Å; E171-R462 IonicContact OE1-NH2 3.98Å; E171-R462 IonicContact OE2-CZ 3.27Å; E171-R462 IonicContact OE2-NH1 3.55Å; E171-R462 PolarHBondContact OE2-NH1 3.44Å
172Q86.2Confident85.3Confident29 Ų2928.3 Ų28.314%0.13616%0.155CC..Hα-helixtrans-64.2-36.4177.8-64.675.214.600112T170 F176 V266 A347T170-Q172 HydrophobicContact CG2-CB 4.48Å; T170-Q172 PolarHBondContact O-N 3.24Å; T170-Q172 VanDerWaalsContact O-N 3.16Å; Q172-F176 WeakPolarHBondContact O-CB 3.49Å; Q172-F176 PolarHBondContact O-N 3.27Å; Q172-V266 HydrophobicContact CB-CB 4.39Å; Q172-V266 HydrophobicContact CB-CG1 3.77Å; Q172-V266 HydrophobicContact CB-CG2 3.66Å; Q172-V266 HydrophobicContact CG-CG1 4.41Å; Q172-A347 HydrophobicContact CG-CB 4.5Å
173V89Confident84Confident2 Ų232.2 Ų32.21%0.01218%0.176CC..Hα-helixtrans-68.6-42.9174.1176.80000110.3T170 E171 F176 F177 L195 L262 F267T170-V173 HydrophobicContact CG2-CB 4.45Å; T170-V173 HydrophobicContact CG2-CG2 3.84Å; T170-V173 WeakPolarHBondContact O-CA 3.47Å; T170-V173 WeakPolarHBondContact O-CB 3.22Å; T170-V173 PolarHBondContact O-N 3.14Å; E171-V173 VanDerWaalsContact C-N 3.31Å; E171-V173 PolarHBondContact O-N 3.34Å; V173-F176 WeakPolarHBondContact O-CB 3.02Å; V173-F176 PolarHBondContact O-N 3.06Å; V173-F177 HydrophobicContact CG1-CD2 3.99Å; V173-F177 HydrophobicContact CG1-CE2 3.64Å; V173-F177 WeakPolarHBondContact O-CD2 3.42Å; V173-F177 PolarHBondContact O-N 3.1Å; V173-L195 HydrophobicContact CG1-CD2 4.29Å; V173-L262 HydrophobicContact CG1-CD2 4.33Å; V173-L262 HydrophobicContact CG2-CD1 4.22Å; V173-F267 HydrophobicContact CG2-CE2 3.81Å; V173-F267 HydrophobicContact CG2-CZ 3.65Å
174Q85.8Confident82.9Confident31 Ų3135.7 Ų35.715%0.14521%0.211CC..Hα-helixtrans-59.5-49.8175.9-58.8176.63.200110.9L168 T170 E171 F176 F177 L178 L199L168-Q174 WeakPolarHBondContact O-CG 3.26Å; L168-Q174 PolarHBondContact O-NE2 2.91Å; T170-Q174 PolarHBondContact O-N 3.44Å; E171-Q174 WeakPolarHBondContact O-CB 3.2Å; E171-Q174 PolarHBondContact O-N 3.25Å; Q174-F176 VanDerWaalsContact C-N 3.32Å; Q174-F176 PolarHBondContact O-N 3.05Å; Q174-F177 PolarHBondContact O-N 2.7Å; Q174-L178 VanDerWaalsContact O-CG 3.27Å; Q174-L178 WeakPolarHBondContact O-CG 3.21Å; Q174-L178 PolarHBondContact O-N 2.91Å; Q174-L199 HydrophobicContact CB-CD1 4.43Å; Q174-L199 HydrophobicContact CB-CD2 4.48Å; Q174-L199 HydrophobicContact CG-CD1 3.85Å
175N81.4Confident82.3Confident89 Ų8937.8 Ų37.848%0.47623%0.226SC..Hα-helixtrans-60-42-179.7-70.6-19.3000111.6E171 F177 L178 T179E171-N175 WeakPolarHBondContact O-CB 3.42Å; E171-N175 PolarHBondContact O-N 3.46Å; E171-N175 PolarHBondContact O-ND2 3.38Å; N175-F177 VanDerWaalsContact C-N 3.34Å; N175-F177 PolarHBondContact O-N 2.95Å; N175-L178 PolarHBondContact O-N 3.32Å; N175-L178 VanDerWaalsContact O-N 3.16Å; N175-T179 WeakPolarHBondContact O-CG2 3.46Å; N175-T179 PolarHBondContact O-N 3.17Å; N175-T179 PolarHBondContact O-OG1 2.97Å; N175-T179 VanDerWaalsContact O-OG1 3.13Å
176F82.5Confident81.6Confident23 Ų2344.4 Ų44.410%0.10127%0.266CS..Hα-helixtrans-54.9-47.9176.4176.8-92.3000112.3Q172 V173 Q174 T179 S181 E249 L262Q172-F176 WeakPolarHBondContact O-CB 3.49Å; Q172-F176 PolarHBondContact O-N 3.27Å; V173-F176 WeakPolarHBondContact O-CB 3.02Å; V173-F176 PolarHBondContact O-N 3.06Å; Q174-F176 VanDerWaalsContact C-N 3.32Å; Q174-F176 PolarHBondContact O-N 3.05Å; F176-T179 PolarHBondContact O-OG1 3.44Å; F176-T179 VanDerWaalsContact O-OG1 3.1Å; F176-S181 VanDerWaalsContact O-CB 3.24Å; F176-S181 WeakPolarHBondContact O-CB 3.48Å; F176-S181 PolarHBondContact O-N 2.78Å; F176-S181 PolarHBondContact O-OG 3.49Å; F176-E249 WeakPolarHBondContact CZ-OE1 3.41Å; F176-L262 HydrophobicContact CB-CD1 3.78Å; F176-L262 HydrophobicContact CD1-CB 4.33Å; F176-L262 HydrophobicContact CD1-CD1 4.11Å; F176-L262 HydrophobicContact CD1-CD2 4.02Å; F176-L262 HydrophobicContact CD1-CG 4.38Å; F176-L262 HydrophobicContact CD2-CB 4.18Å; F176-L262 HydrophobicContact CD2-CD1 4.01Å; F176-L262 HydrophobicContact CE1-CB 4.14Å; F176-L262 HydrophobicContact CE1-CD2 4.24Å; F176-L262 HydrophobicContact CE2-CB 3.98Å; F176-L262 HydrophobicContact CG-CB 4.35Å; F176-L262 HydrophobicContact CG-CD1 3.71Å; F176-L262 HydrophobicContact CG-CD2 4.47Å; F176-L262 HydrophobicContact CG-CG 4.4Å; F176-L262 HydrophobicContact CZ-CB 3.96Å
177F77.6Confident80.9Confident11 Ų1148.2 Ų48.25%0.04829%0.286CS..Hα-helixtrans-73.9-28178.4-68.6-59000113.4V173 Q174 N175 L192 L195 K196 L199 L262V173-F177 HydrophobicContact CG1-CD2 3.99Å; V173-F177 HydrophobicContact CG1-CE2 3.64Å; V173-F177 WeakPolarHBondContact O-CD2 3.42Å; V173-F177 PolarHBondContact O-N 3.1Å; Q174-F177 PolarHBondContact O-N 2.7Å; N175-F177 VanDerWaalsContact C-N 3.34Å; N175-F177 PolarHBondContact O-N 2.95Å; F177-L192 HydrophobicContact CE1-CD2 4.32Å; F177-L192 HydrophobicContact CZ-CD2 3.95Å; F177-L195 HydrophobicContact CE2-CB 4.29Å; F177-L195 HydrophobicContact CE2-CD2 3.72Å; F177-L195 HydrophobicContact CE2-CG 3.76Å; F177-L195 HydrophobicContact CZ-CB 4.03Å; F177-L195 HydrophobicContact CZ-CD2 3.87Å; F177-L195 HydrophobicContact CZ-CG 3.98Å; F177-K196 HydrophobicContact CB-CG 4.3Å; F177-K196 HydrophobicContact CD1-CB 3.64Å; F177-K196 HydrophobicContact CD1-CD 4.18Å; F177-K196 HydrophobicContact CD1-CG 3.88Å; F177-K196 HydrophobicContact CE1-CB 3.82Å; F177-K196 HydrophobicContact CG-CB 4.16Å; F177-K196 HydrophobicContact CG-CG 4.25Å; F177-K196 HydrophobicContact CZ-CB 4.48Å; F177-L199 HydrophobicContact CB-CD2 3.67Å; F177-L199 HydrophobicContact CD2-CD2 3.98Å; F177-L199 HydrophobicContact CG-CD2 4.24Å; F177-L262 HydrophobicContact CE2-CD2 4.41Å; F177-L262 HydrophobicContact CZ-CD2 4.3Å
178L73.5Confident80Confident125 Ų12554 Ų5465%0.65432%0.322SS*.Hα-helixtrans-72.2-31.4175.6-71.4171.7000112.6Q174 N175 S180Q174-L178 VanDerWaalsContact O-CG 3.27Å; Q174-L178 WeakPolarHBondContact O-CG 3.21Å; Q174-L178 PolarHBondContact O-N 2.91Å; N175-L178 PolarHBondContact O-N 3.32Å; N175-L178 VanDerWaalsContact O-N 3.16Å; L178-S180 PolarHBondContact O-N 3.38Å; L178-S180 VanDerWaalsContact O-N 3.15Å
179T69.3Low79.7Confident81 Ų8157.5 Ų57.550%0.49734%0.338SS..THydrogen-bonded Turntrans-80.619.2178.755.10000114N175 F176 S181N175-T179 WeakPolarHBondContact O-CG2 3.46Å; N175-T179 PolarHBondContact O-N 3.17Å; N175-T179 PolarHBondContact O-OG1 2.97Å; N175-T179 VanDerWaalsContact O-OG1 3.13Å; F176-T179 PolarHBondContact O-OG1 3.44Å; F176-T179 VanDerWaalsContact O-OG1 3.1Å; T179-S181 PolarHBondContact O-N 2.66Å
180S62.8Low79.5Confident60 Ų6056.4 Ų56.442%0.4233%0.334SS..THydrogen-bonded Turntrans6714.6179.4-63.80000115.9L178 H182 N183L178-S180 PolarHBondContact O-N 3.38Å; L178-S180 VanDerWaalsContact O-N 3.15Å; S180-H182 PolarHBondContact O-N 2.77Å; S180-N183 WeakPolarHBondContact CA-ND2 3.16Å; S180-N183 WeakPolarHBondContact CB-ND2 3.15Å; S180-N183 VanDerWaalsContact O-CG 3.22Å; S180-N183 PolarHBondContact O-N 2.82Å; S180-N183 PolarHBondContact O-OD1 2.78Å; S180-N183 PolarHBondContact OG-ND2 2.97Å
181S66.9Low79.5Confident37 Ų3756.7 Ų56.726%0.25934%0.335SS..THydrogen-bonded Turntrans-65.2133.7171.1-54.10000109.2F176 T179F176-S181 VanDerWaalsContact O-CB 3.24Å; F176-S181 WeakPolarHBondContact O-CB 3.48Å; F176-S181 PolarHBondContact O-N 2.78Å; F176-S181 PolarHBondContact O-OG 3.49Å; T179-S181 PolarHBondContact O-N 2.66Å
182H76.5Confident79.7Confident36 Ų3655.1 Ų55.117%0.16733%0.328CS..THydrogen-bonded Turntrans70.327.4-177.6-149.876.7000116.1S180 C185 C190 C193S180-H182 PolarHBondContact O-N 2.77Å; H182-C185 VanDerWaalsContact NE2-CB 3.27Å; H182-C185 WeakPolarHBondContact NE2-CB 3.19Å; H182-C185 PolarHBondContact NE2-SG 3.43Å; H182-C185 VanDerWaalsContact NE2-SG 3.39Å; H182-C190 PolarHBondContact NE2-SG 3.08Å; H182-C193 VanDerWaalsContact CD2-SG 3.56Å; H182-C193 PolarHBondContact NE2-SG 3.04Å
183N70.2Confident79.8Confident85 Ų8555.4 Ų55.446%0.45533%0.332SS..THydrogen-bonded Turntrans-77.9-20.3177.3-76.54.1000115.5S180 K196S180-N183 WeakPolarHBondContact CA-ND2 3.16Å; S180-N183 WeakPolarHBondContact CB-ND2 3.15Å; S180-N183 VanDerWaalsContact O-CG 3.22Å; S180-N183 PolarHBondContact O-N 2.82Å; S180-N183 PolarHBondContact O-OD1 2.78Å; S180-N183 PolarHBondContact OG-ND2 2.97Å; N183-K196 PolarHBondContact OD1-NZ 3.46Å
184G74.4Confident79.8Confident73 Ų7355.6 Ų55.675%0.75334%0.335SS*.THydrogen-bonded Turntrans-104.115.3-175.200000114.8V186G184-V186 PolarHBondContact O-N 2.86Å
185C83Confident80.1Confident46 Ų4654.2 Ų54.231%0.31133%0.328SS..  trans-69.3128.6-179.5-173.50000110.8H182 C193H182-C185 VanDerWaalsContact NE2-CB 3.27Å; H182-C185 WeakPolarHBondContact NE2-CB 3.19Å; H182-C185 PolarHBondContact NE2-SG 3.43Å; H182-C185 VanDerWaalsContact NE2-SG 3.39Å; C185-C193 VanDerWaalsContact CB-SG 3.59Å
186V82.3Confident80.4Confident142 Ų14253.1 Ų53.186%0.86132%0.319SS*.  trans-97.2-8.2178-640000113G184 T188G184-V186 PolarHBondContact O-N 2.86Å; V186-T188 PolarHBondContact O-N 2.81Å
187D82.7Confident80.4Confident80 Ų8055.3 Ų55.343%0.42833%0.334SS..  trans-76.6113.9177.8179.210.6000110.2E189 C190D187-E189 PolarHBondContact O-N 2.82Å; D187-E189 PolarHBondContact OD1-N 3.1Å; D187-C190 HydrophobicContact CB-CB 4Å; D187-C190 WeakPolarHBondContact O-CB 3.47Å; D187-C190 PolarHBondContact O-N 3.48Å
188T76.1Confident81Confident124 Ų12455 Ų5576%0.76133%0.333SS*.THydrogen-bonded Turntrans-70.1-16.3179.3530000113V186V186-T188 PolarHBondContact O-N 2.81Å
189E84.6Confident81.6Confident74 Ų7449.7 Ų49.735%0.34631%0.305SS..THydrogen-bonded Turntrans-11529-178.5-61173.6102.400111.1D187 L218 K221D187-E189 PolarHBondContact O-N 2.82Å; D187-E189 PolarHBondContact OD1-N 3.1Å; E189-L218 HydrophobicContact CB-CD2 3.89Å; E189-L218 VanDerWaalsContact O-CD2 3.27Å; E189-L218 WeakPolarHBondContact O-CD2 3.44Å; E189-K221 IonicContact OE1-NZ 2.95Å; E189-K221 PolarHBondContact OE1-NZ 3.29Å; E189-K221 IonicContact OE2-NZ 3.58Å; E189-K221 PolarHBondContact OE2-NZ 3.03Å
190C88.7Confident82.2Confident3 Ų351.6 Ų51.62%0.0231%0.308CS..  trans-80127.6178.81750000112.5H182 D187 L192 C193 A194 T248H182-C190 PolarHBondContact NE2-SG 3.08Å; D187-C190 HydrophobicContact CB-CB 4Å; D187-C190 WeakPolarHBondContact O-CB 3.47Å; D187-C190 PolarHBondContact O-N 3.48Å; C190-L192 VanDerWaalsContact C-N 3.33Å; C190-L192 PolarHBondContact O-N 2.74Å; C190-L192 PolarHBondContact SG-N 2.94Å; C190-L192 VanDerWaalsContact SG-N 3.35Å; C190-C193 HydrophobicContact CB-CB 3.96Å; C190-C193 WeakPolarHBondContact O-CB 3.26Å; C190-C193 PolarHBondContact O-N 3.16Å; C190-A194 PolarHBondContact O-N 2.92Å; C190-T248 WeakPolarHBondContact SG-CG2 3.5Å
191I89.7Confident83.2Confident5 Ų550.1 Ų50.13%0.02630%0.295CS..Hα-helixtrans-65.6-33.2178.8-156.6160.4000113.3A194 L195 M215 V219 V222 M241 V244I191-A194 PolarHBondContact O-N 3Å; I191-L195 WeakPolarHBondContact O-CB 3.45Å; I191-L195 PolarHBondContact O-N 3.42Å; I191-M215 HydrophobicContact CD1-SD 4.32Å; I191-M215 HydrophobicContact CG1-SD 3.93Å; I191-V219 HydrophobicContact CD1-CG2 4.32Å; I191-V222 HydrophobicContact CD1-CG2 4.02Å; I191-M241 HydrophobicContact CD1-CE 4.02Å; I191-M241 HydrophobicContact CD1-SD 3.44Å; I191-M241 WeakPolarHBondContact CD1-SD 3.5Å; I191-M241 HydrophobicContact CG1-CE 4.31Å; I191-M241 HydrophobicContact CG1-SD 4.35Å; I191-V244 HydrophobicContact CB-CG1 4.39Å; I191-V244 HydrophobicContact CD1-CG1 4.41Å; I191-V244 HydrophobicContact CG2-CG1 3.62Å
192L90.4Very high84Confident1 Ų148.5 Ų48.51%0.00528%0.283CS..Hα-helixtrans-69.9-38.6176.6-74.5174.2000111.3F177 C190 L195 K196 I245 T248 E249 L262F177-L192 HydrophobicContact CE1-CD2 4.32Å; F177-L192 HydrophobicContact CZ-CD2 3.95Å; C190-L192 VanDerWaalsContact C-N 3.33Å; C190-L192 PolarHBondContact O-N 2.74Å; C190-L192 PolarHBondContact SG-N 2.94Å; C190-L192 VanDerWaalsContact SG-N 3.35Å; L192-L195 PolarHBondContact O-N 2.83Å; L192-K196 WeakPolarHBondContact O-CB 3.38Å; L192-K196 PolarHBondContact O-N 3.05Å; L192-I245 HydrophobicContact CD2-CB 4.45Å; L192-I245 HydrophobicContact CD2-CG1 3.87Å; L192-I245 HydrophobicContact CD2-CG2 4.08Å; L192-T248 HydrophobicContact CD1-CG2 3.81Å; L192-T248 HydrophobicContact CG-CG2 4.27Å; L192-E249 HydrophobicContact CD1-CG 3.48Å; L192-E249 VanDerWaalsContact CD1-CG 3.48Å; L192-L262 HydrophobicContact CD2-CD2 4.1Å
193C89Confident84.1Confident35 Ų3550.2 Ų50.224%0.23629%0.29CS..Hα-helixtrans-59.8-47.1170.8-73.40000110.9H182 C185 C190 L195 K196 V197H182-C193 VanDerWaalsContact CD2-SG 3.56Å; H182-C193 PolarHBondContact NE2-SG 3.04Å; C185-C193 VanDerWaalsContact CB-SG 3.59Å; C190-C193 HydrophobicContact CB-CB 3.96Å; C190-C193 WeakPolarHBondContact O-CB 3.26Å; C190-C193 PolarHBondContact O-N 3.16Å; C193-L195 PolarHBondContact O-N 3.23Å; C193-K196 WeakPolarHBondContact O-CB 3.28Å; C193-K196 PolarHBondContact O-N 2.76Å; C193-V197 WeakPolarHBondContact O-CG2 3.3Å; C193-V197 PolarHBondContact O-N 3.17Å
194A88.9Confident84.2Confident7 Ų751.3 Ų51.36%0.05829%0.288CS..Hα-helixtrans-63.6-39.9177.800000112.5C190 I191 K196 V197 L198 M215 L218C190-A194 PolarHBondContact O-N 2.92Å; I191-A194 PolarHBondContact O-N 3Å; A194-K196 VanDerWaalsContact C-N 3.33Å; A194-K196 PolarHBondContact O-N 3.33Å; A194-V197 PolarHBondContact O-N 3.48Å; A194-L198 VanDerWaalsContact O-CB 3.31Å; A194-L198 WeakPolarHBondContact O-CB 3.25Å; A194-L198 PolarHBondContact O-N 3.33Å; A194-M215 HydrophobicContact CB-CE 3.84Å; A194-L218 HydrophobicContact CB-CD1 3.33Å
195L91.6Very high83.7Confident2 Ų249 Ų491%0.0126%0.264CS..Hα-helixtrans-65.2-38.3175.9-172.360.8000111.6L168 V173 F177 I191 L192 C193 L198 L199 M215L168-L195 HydrophobicContact CD2-CD1 4.01Å; V173-L195 HydrophobicContact CG1-CD2 4.29Å; F177-L195 HydrophobicContact CE2-CB 4.29Å; F177-L195 HydrophobicContact CE2-CD2 3.72Å; F177-L195 HydrophobicContact CE2-CG 3.76Å; F177-L195 HydrophobicContact CZ-CB 4.03Å; F177-L195 HydrophobicContact CZ-CD2 3.87Å; F177-L195 HydrophobicContact CZ-CG 3.98Å; I191-L195 WeakPolarHBondContact O-CB 3.45Å; I191-L195 PolarHBondContact O-N 3.42Å; L192-L195 PolarHBondContact O-N 2.83Å; C193-L195 PolarHBondContact O-N 3.23Å; L195-L198 HydrophobicContact CD1-CD2 4.44Å; L195-L198 WeakPolarHBondContact O-CB 3.43Å; L195-L198 PolarHBondContact O-N 3Å; L195-L199 WeakPolarHBondContact O-CB 3.38Å; L195-L199 PolarHBondContact O-N 3.29Å; L195-M215 HydrophobicContact CB-CE 4.05Å; L195-M215 HydrophobicContact CD1-CE 4.32Å
196K87.1Confident83.1Confident65 Ų6551.3 Ų51.328%0.28327%0.271SS..Hα-helixtrans-65.4-44.6174.3-177.4-178169.9-166.70112.3F177 N183 L192 C193 A194 L198 L199 H200F177-K196 HydrophobicContact CB-CG 4.3Å; F177-K196 HydrophobicContact CD1-CB 3.64Å; F177-K196 HydrophobicContact CD1-CD 4.18Å; F177-K196 HydrophobicContact CD1-CG 3.88Å; F177-K196 HydrophobicContact CE1-CB 3.82Å; F177-K196 HydrophobicContact CG-CB 4.16Å; F177-K196 HydrophobicContact CG-CG 4.25Å; F177-K196 HydrophobicContact CZ-CB 4.48Å; N183-K196 PolarHBondContact OD1-NZ 3.46Å; L192-K196 WeakPolarHBondContact O-CB 3.38Å; L192-K196 PolarHBondContact O-N 3.05Å; C193-K196 WeakPolarHBondContact O-CB 3.28Å; C193-K196 PolarHBondContact O-N 2.76Å; A194-K196 VanDerWaalsContact C-N 3.33Å; A194-K196 PolarHBondContact O-N 3.33Å; K196-L198 VanDerWaalsContact C-N 3.33Å; K196-L199 WeakPolarHBondContact O-CB 3.47Å; K196-L199 PolarHBondContact O-N 3.47Å; K196-H200 PolarHBondContact O-N 2.81Å
197V84.3Confident82.4Confident70 Ų7052.7 Ų52.742%0.42427%0.265SS..Hα-helixtrans-59.1-48.6173.91700000109.3C193 A194 L199 H200 E201C193-V197 WeakPolarHBondContact O-CG2 3.3Å; C193-V197 PolarHBondContact O-N 3.17Å; A194-V197 PolarHBondContact O-N 3.48Å; V197-L199 VanDerWaalsContact C-N 3.28Å; V197-L199 PolarHBondContact O-N 3.48Å; V197-H200 WeakPolarHBondContact O-CB 3.45Å; V197-H200 PolarHBondContact O-N 2.7Å; V197-E201 HydrophobicContact CG1-CG 4.13Å; V197-E201 WeakPolarHBondContact O-CG 3.35Å; V197-E201 PolarHBondContact O-N 2.71Å
198L89.1Confident81.8Confident4 Ų450.7 Ų50.72%0.02126%0.264CS..Hα-helixtrans-56.8-41.8177.5-172.363.8000112.2L164 L168 A194 L195 K196 E201 F202 F210 M215L164-L198 HydrophobicContact CB-CD2 4.48Å; L164-L198 HydrophobicContact CD1-CD2 4.1Å; L164-L198 HydrophobicContact CD2-CD2 4.07Å; L164-L198 HydrophobicContact CG-CD2 4.45Å; L168-L198 HydrophobicContact CD1-CD2 3.68Å; L168-L198 HydrophobicContact CD1-CG 3.73Å; L168-L198 HydrophobicContact CD2-CB 4.24Å; L168-L198 HydrophobicContact CD2-CD2 4.06Å; L168-L198 HydrophobicContact CD2-CG 3.9Å; L168-L198 HydrophobicContact CG-CD2 4.19Å; L168-L198 HydrophobicContact CG-CG 4.36Å; A194-L198 VanDerWaalsContact O-CB 3.31Å; A194-L198 WeakPolarHBondContact O-CB 3.25Å; A194-L198 PolarHBondContact O-N 3.33Å; L195-L198 HydrophobicContact CD1-CD2 4.44Å; L195-L198 WeakPolarHBondContact O-CB 3.43Å; L195-L198 PolarHBondContact O-N 3Å; K196-L198 VanDerWaalsContact C-N 3.33Å; L198-E201 PolarHBondContact O-N 2.64Å; L198-F202 HydrophobicContact CD1-CD2 4.07Å; L198-F202 HydrophobicContact CD1-CE2 3.67Å; L198-F202 HydrophobicContact CG-CD2 4.34Å; L198-F202 HydrophobicContact CG-CE2 4.18Å; L198-F202 VanDerWaalsContact O-CD2 3.22Å; L198-F202 WeakPolarHBondContact O-CD2 3.29Å; L198-F202 PolarHBondContact O-N 2.69Å; L198-F210 HydrophobicContact CD1-CD1 3.34Å; L198-F210 HydrophobicContact CD1-CE1 3.11Å; L198-F210 HydrophobicContact CD1-CE2 4.36Å; L198-F210 HydrophobicContact CD1-CG 4.08Å; L198-F210 HydrophobicContact CD1-CZ 3.67Å; L198-M215 HydrophobicContact CD2-CE 4.45Å
199L86.7Confident81.8Confident13 Ų1349.5 Ų49.57%0.06825%0.252CS..Hα-helixtrans-61.2-49.7173.7-174.173.5000111.2L168 Q174 F177 L195 K196 V197 E201 F202 F203L168-L199 HydrophobicContact CD2-CB 4.12Å; L168-L199 HydrophobicContact CD2-CD1 4.19Å; Q174-L199 HydrophobicContact CB-CD1 4.43Å; Q174-L199 HydrophobicContact CB-CD2 4.48Å; Q174-L199 HydrophobicContact CG-CD1 3.85Å; F177-L199 HydrophobicContact CB-CD2 3.67Å; F177-L199 HydrophobicContact CD2-CD2 3.98Å; F177-L199 HydrophobicContact CG-CD2 4.24Å; L195-L199 WeakPolarHBondContact O-CB 3.38Å; L195-L199 PolarHBondContact O-N 3.29Å; K196-L199 WeakPolarHBondContact O-CB 3.47Å; K196-L199 PolarHBondContact O-N 3.47Å; V197-L199 VanDerWaalsContact C-N 3.28Å; V197-L199 PolarHBondContact O-N 3.48Å; L199-E201 VanDerWaalsContact C-N 3.28Å; L199-E201 PolarHBondContact O-N 2.86Å; L199-F202 PolarHBondContact O-N 2.85Å; L199-F203 HydrophobicContact CD1-CD2 3.67Å; L199-F203 HydrophobicContact CD1-CE2 3.43Å; L199-F203 VanDerWaalsContact CD1-CE2 3.43Å; L199-F203 HydrophobicContact CD1-CZ 4.46Å; L199-F203 HydrophobicContact CG-CD2 4.13Å; L199-F203 HydrophobicContact CG-CE2 4.36Å; L199-F203 VanDerWaalsContact O-CD2 3.26Å; L199-F203 WeakPolarHBondContact O-CD2 3.36Å; L199-F203 PolarHBondContact O-N 3.26Å; L199-F203 VanDerWaalsContact O-N 3.09Å
200H81.8Confident81.7Confident122 Ų12247.6 Ų47.657%0.56524%0.243SC*.Hα-helixtrans-56.1-43.9176.7178.5-91.4000112K196 V197 F202 F203 R204K196-H200 PolarHBondContact O-N 2.81Å; V197-H200 WeakPolarHBondContact O-CB 3.45Å; V197-H200 PolarHBondContact O-N 2.7Å; H200-F202 VanDerWaalsContact C-N 3.33Å; H200-F202 PolarHBondContact O-N 3.46Å; H200-F203 PolarHBondContact O-N 3.28Å; H200-R204 WeakPolarHBondContact O-CB 3.4Å; H200-R204 PolarHBondContact O-N 3.15Å
201E82.8Confident81.4Confident29 Ų2950.3 Ų50.314%0.13626%0.261CS..Hα-helixtrans-63.4-35.4179.4-67.7-65.7107.400113.4R149 V197 L198 L199 R204 F210R149-E201 VanDerWaalsContact CZ-O 3.31Å; R149-E201 PolarHBondContact NE-O 2.94Å; R149-E201 VanDerWaalsContact NE-O 3.1Å; R149-E201 PolarHBondContact NH2-O 3.04Å; V197-E201 HydrophobicContact CG1-CG 4.13Å; V197-E201 WeakPolarHBondContact O-CG 3.35Å; V197-E201 PolarHBondContact O-N 2.71Å; L198-E201 PolarHBondContact O-N 2.64Å; L199-E201 VanDerWaalsContact C-N 3.28Å; L199-E201 PolarHBondContact O-N 2.86Å; E201-R204 WeakPolarHBondContact O-CG 3.4Å; E201-R204 IonicContact OE1-CZ 3.76Å; E201-R204 IonicContact OE1-NE 2.88Å; E201-R204 IonicContact OE1-NH1 2.77Å; E201-R204 PolarHBondContact OE1-NH1 3.05Å; E201-R204 IonicContact OE2-CZ 2.64Å; E201-R204 IonicContact OE2-NE 3.92Å; E201-R204 PolarHBondContact OE2-NE 3.49Å; E201-R204 IonicContact OE2-NH1 2.58Å; E201-R204 PolarHBondContact OE2-NH1 2.94Å; E201-R204 IonicContact OE2-NH2 3.39Å; E201-R204 PolarHBondContact OE2-NH2 3.13Å; E201-F210 HydrophobicContact CB-CD2 3.91Å; E201-F210 HydrophobicContact CB-CE2 3.54Å; E201-F210 HydrophobicContact CB-CZ 4.36Å; E201-F210 HydrophobicContact CG-CD2 4.42Å; E201-F210 HydrophobicContact CG-CE2 3.59Å; E201-F210 HydrophobicContact CG-CZ 4.25Å
202F84.9Confident81.1Confident2 Ų250.2 Ų50.21%0.00926%0.26CS..Hα-helixtrans-71.4-35.2175.5-89.1-128.9000112G147 R149 L151 L168 L198 L199 H200 F210G147-F202 WeakPolarHBondContact CA-O 3.49Å; G147-F202 PolarHBondContact N-O 3.19Å; G147-F202 WeakPolarHBondContact O-CD1 3.27Å; R149-F202 HydrophobicContact CB-CD1 4.28Å; R149-F202 HydrophobicContact CB-CD2 4.4Å; R149-F202 HydrophobicContact CB-CE1 4Å; R149-F202 HydrophobicContact CB-CE2 4.13Å; R149-F202 HydrophobicContact CB-CG 4.46Å; R149-F202 HydrophobicContact CB-CZ 3.91Å; L151-F202 HydrophobicContact CD2-CE2 3.92Å; L151-F202 HydrophobicContact CD2-CZ 3.66Å; L151-F202 HydrophobicContact CG-CZ 4.03Å; L168-F202 HydrophobicContact CD1-CD1 3.78Å; L168-F202 HydrophobicContact CD1-CD2 4.14Å; L168-F202 HydrophobicContact CD1-CE1 3.52Å; L168-F202 HydrophobicContact CD1-CE2 3.89Å; L168-F202 HydrophobicContact CD1-CG 4.1Å; L168-F202 HydrophobicContact CD1-CZ 3.58Å; L198-F202 HydrophobicContact CD1-CD2 4.07Å; L198-F202 HydrophobicContact CD1-CE2 3.67Å; L198-F202 HydrophobicContact CG-CD2 4.34Å; L198-F202 HydrophobicContact CG-CE2 4.18Å; L198-F202 VanDerWaalsContact O-CD2 3.22Å; L198-F202 WeakPolarHBondContact O-CD2 3.29Å; L198-F202 PolarHBondContact O-N 2.69Å; L199-F202 PolarHBondContact O-N 2.85Å; H200-F202 VanDerWaalsContact C-N 3.33Å; H200-F202 PolarHBondContact O-N 3.46Å; F202-F210 HydrophobicContact CE2-CB 4.02Å; F202-F210 HydrophobicContact CE2-CD1 4.41Å; F202-F210 HydrophobicContact CE2-CG 4.14Å
203F77.8Confident80.6Confident72 Ų7253.4 Ų53.432%0.31628%0.283SS..Hα-helixtrans-99.8-4.6-172.6-74-93.9000114.7Y146 L199 H200 G205Y146-F203 WeakPolarHBondContact CD1-O 3.25Å; Y146-F203 VanDerWaalsContact CE1-O 3.22Å; Y146-F203 WeakPolarHBondContact CE1-O 3.39Å; L199-F203 HydrophobicContact CD1-CD2 3.67Å; L199-F203 HydrophobicContact CD1-CE2 3.43Å; L199-F203 VanDerWaalsContact CD1-CE2 3.43Å; L199-F203 HydrophobicContact CD1-CZ 4.46Å; L199-F203 HydrophobicContact CG-CD2 4.13Å; L199-F203 HydrophobicContact CG-CE2 4.36Å; L199-F203 VanDerWaalsContact O-CD2 3.26Å; L199-F203 WeakPolarHBondContact O-CD2 3.36Å; L199-F203 PolarHBondContact O-N 3.26Å; L199-F203 VanDerWaalsContact O-N 3.09Å; H200-F203 PolarHBondContact O-N 3.28Å; F203-G205 PolarHBondContact O-N 2.97Å; F203-G205 VanDerWaalsContact O-N 3.16Å
204R72.7Confident80.2Confident108 Ų10856.8 Ų56.841%0.40830%0.295SS..SBendtrans-69-6.2174.173.4-177.4-172.9-174.10.5115.2H200 E201 E206H200-R204 WeakPolarHBondContact O-CB 3.4Å; H200-R204 PolarHBondContact O-N 3.15Å; E201-R204 WeakPolarHBondContact O-CG 3.4Å; E201-R204 IonicContact OE1-CZ 3.76Å; E201-R204 IonicContact OE1-NE 2.88Å; E201-R204 IonicContact OE1-NH1 2.77Å; E201-R204 PolarHBondContact OE1-NH1 3.05Å; E201-R204 IonicContact OE2-CZ 2.64Å; E201-R204 IonicContact OE2-NE 3.92Å; E201-R204 PolarHBondContact OE2-NE 3.49Å; E201-R204 IonicContact OE2-NH1 2.58Å; E201-R204 PolarHBondContact OE2-NH1 2.94Å; E201-R204 IonicContact OE2-NH2 3.39Å; E201-R204 PolarHBondContact OE2-NH2 3.13Å; R204-E206 HydrophobicContact CG-CG 4.1Å; R204-E206 VanDerWaalsContact CZ-CD 3.48Å; R204-E206 IonicContact CZ-OE1 3.25Å; R204-E206 IonicContact CZ-OE2 3.13Å; R204-E206 VanDerWaalsContact CZ-OE2 3.26Å; R204-E206 IonicContact NE-OE1 2.82Å; R204-E206 PolarHBondContact NE-OE1 3.39Å; R204-E206 IonicContact NE-OE2 3.89Å; R204-E206 PolarHBondContact NE-OE2 2.76Å; R204-E206 VanDerWaalsContact NE-OE2 3.08Å; R204-E206 IonicContact NH2-OE1 3.09Å; R204-E206 PolarHBondContact NH2-OE1 2.9Å; R204-E206 IonicContact NH2-OE2 2.98Å; R204-E206 PolarHBondContact NH2-OE2 2.91Å
205G64.6Low80.2Confident25 Ų2556.7 Ų56.726%0.25829%0.294SS..SBendtrans89.98.8170.900000116.3F203F203-G205 PolarHBondContact O-N 2.97Å; F203-G205 VanDerWaalsContact O-N 3.16Å
206E69.7Low79.9Confident95 Ų9557.6 Ų57.644%0.44430%0.298SS..  trans-83.6152.2166.4-24.7166.1144.900111.5R149 R204R149-E206 IonicContact CZ-OE2 2.64Å; R149-E206 PolarHBondContact NE-O 3.23Å; R149-E206 VanDerWaalsContact NE-O 3.08Å; R149-E206 IonicContact NH1-OE2 3.8Å; R149-E206 PolarHBondContact NH1-OE2 2.92Å; R149-E206 IonicContact NH2-OE2 3.96Å; R149-E206 PolarHBondContact NH2-OE2 2.83Å; R204-E206 HydrophobicContact CG-CG 4.1Å; R204-E206 VanDerWaalsContact CZ-CD 3.48Å; R204-E206 IonicContact CZ-OE1 3.25Å; R204-E206 IonicContact CZ-OE2 3.13Å; R204-E206 VanDerWaalsContact CZ-OE2 3.26Å; R204-E206 IonicContact NE-OE1 2.82Å; R204-E206 PolarHBondContact NE-OE1 3.39Å; R204-E206 IonicContact NE-OE2 3.89Å; R204-E206 PolarHBondContact NE-OE2 2.76Å; R204-E206 VanDerWaalsContact NE-OE2 3.08Å; R204-E206 IonicContact NH2-OE1 3.09Å; R204-E206 PolarHBondContact NH2-OE1 2.9Å; R204-E206 IonicContact NH2-OE2 2.98Å; R204-E206 PolarHBondContact NH2-OE2 2.91Å
207K67.2Low79.8Confident170 Ų17059.9 Ų59.974%0.73931%0.308SS*.  trans-102.9-3.3-175.7-58.8-177.8179.7-178.10113.5
208G70.8Confident80Confident39 Ų3956.7 Ų56.740%0.40229%0.289SS..SBendtrans-65.8157.6-176.800000112.1R149R149-G208 VanDerWaalsContact CD-O 3.31Å; R149-G208 WeakPolarHBondContact CD-O 3.44Å; R149-G208 PolarHBondContact NH1-O 3.11Å
209L76Confident80Confident98 Ų9856.6 Ų56.651%0.51329%0.288SS..  trans-58.6146.7172-55-178.6000110.2V152 N441V152-L209 HydrophobicContact CG2-CB 3.89Å; V152-L209 HydrophobicContact CG2-CD1 4.28Å; L209-N441 HydrophobicContact CD1-CB 4Å; L209-N441 HydrophobicContact CD2-CB 3.78Å; L209-N441 WeakPolarHBondContact CD2-O 3.36Å; L209-N441 HydrophobicContact CG-CB 4.49Å
210F81.8Confident80Confident35 Ų3559.2 Ų59.215%0.15430%0.297CS..BIsolated β-bridgetrans-110.3134.4173.4-170.4-86.1000110G150 L151 V152 L198 E201 F202 P212G150-F210 PolarHBondContact O-N 2.8Å; L151-F210 WeakPolarHBondContact CA-O 3.41Å; L151-F210 HydrophobicContact CD2-CB 4.13Å; L151-F210 HydrophobicContact CD2-CD1 3.96Å; L151-F210 HydrophobicContact CD2-CG 4.49Å; V152-F210 PolarHBondContact N-O 3.36Å; L198-F210 HydrophobicContact CD1-CD1 3.34Å; L198-F210 HydrophobicContact CD1-CE1 3.11Å; L198-F210 HydrophobicContact CD1-CE2 4.36Å; L198-F210 HydrophobicContact CD1-CG 4.08Å; L198-F210 HydrophobicContact CD1-CZ 3.67Å; E201-F210 HydrophobicContact CB-CD2 3.91Å; E201-F210 HydrophobicContact CB-CE2 3.54Å; E201-F210 HydrophobicContact CB-CZ 4.36Å; E201-F210 HydrophobicContact CG-CD2 4.42Å; E201-F210 HydrophobicContact CG-CE2 3.59Å; E201-F210 HydrophobicContact CG-CZ 4.25Å; F202-F210 HydrophobicContact CE2-CB 4.02Å; F202-F210 HydrophobicContact CE2-CD1 4.41Å; F202-F210 HydrophobicContact CE2-CG 4.14Å; F210-P212 HydrophobicContact CD1-CB 4.47Å; F210-P212 WeakPolarHBondContact O-CD 3.27Å
211C81.7Confident80.3Confident60 Ų6058.3 Ų58.341%0.40529%0.292SS..  trans-97.1107.7176.5-1790000109.1S213C211-S213 PolarHBondContact O-N 2.92Å
212P85.4Confident80.4Confident2 Ų259.6 Ų59.61%0.01330%0.302CS..  trans-82.739.1-177.135.7-36.4000113L151 L164 F210 E214 M215 L216L151-P212 HydrophobicContact CB-CG 4.48Å; L151-P212 HydrophobicContact CD2-CB 4.22Å; L151-P212 HydrophobicContact CD2-CG 4.19Å; L164-P212 HydrophobicContact CD1-CB 4Å; F210-P212 HydrophobicContact CD1-CB 4.47Å; F210-P212 WeakPolarHBondContact O-CD 3.27Å; P212-E214 PolarHBondContact O-N 2.89Å; P212-M215 HydrophobicContact CB-CB 4.33Å; P212-M215 PolarHBondContact O-N 2.74Å; P212-L216 PolarHBondContact O-N 3.13Å
213S78.4Confident80.6Confident68 Ų6859.7 Ų59.748%0.47630%0.303SS..Hα-helixtrans-64-38.7-175.155.20000113.1C211 L216 F217C211-S213 PolarHBondContact O-N 2.92Å; S213-L216 PolarHBondContact O-N 2.89Å; S213-F217 PolarHBondContact O-N 3.42Å
214E81.9Confident80.9Confident106 Ų10661 Ų6150%0.49532%0.318SS..Hα-helixtrans-63.8-44.5175.5-176.1174.9-173.500111.2P212 L216 F217 L218P212-E214 PolarHBondContact O-N 2.89Å; E214-L216 PolarHBondContact O-N 3.17Å; E214-F217 PolarHBondContact O-N 2.88Å; E214-L218 HydrophobicContact CG-CD1 4.47Å; E214-L218 WeakPolarHBondContact O-CG 3.39Å; E214-L218 PolarHBondContact O-N 3.3Å
215M88.8Confident81.5Confident6 Ų659 Ų593%0.0332%0.321CS..Hα-helixtrans-63.4-41.5176.8-175.758.568.600112L160 L164 I191 A194 L195 L198 P212 L218 V219L160-M215 HydrophobicContact CD1-CG 4.23Å; L164-M215 HydrophobicContact CD1-CB 4.37Å; L164-M215 HydrophobicContact CD1-CG 3.78Å; L164-M215 HydrophobicContact CD2-CE 4.29Å; L164-M215 HydrophobicContact CD2-CG 3.72Å; L164-M215 HydrophobicContact CD2-SD 4.19Å; L164-M215 HydrophobicContact CG-CG 4.33Å; I191-M215 HydrophobicContact CD1-SD 4.32Å; I191-M215 HydrophobicContact CG1-SD 3.93Å; A194-M215 HydrophobicContact CB-CE 3.84Å; L195-M215 HydrophobicContact CB-CE 4.05Å; L195-M215 HydrophobicContact CD1-CE 4.32Å; L198-M215 HydrophobicContact CD2-CE 4.45Å; P212-M215 HydrophobicContact CB-CB 4.33Å; P212-M215 PolarHBondContact O-N 2.74Å; M215-L218 PolarHBondContact O-N 3.45Å; M215-V219 WeakPolarHBondContact O-CB 3.46Å; M215-V219 VanDerWaalsContact O-CG2 3.31Å; M215-V219 WeakPolarHBondContact O-CG2 3.39Å; M215-V219 PolarHBondContact O-N 2.95Å; M215-V219 HydrophobicContact SD-CG2 4.37Å
216L85.3Confident82.5Confident21 Ų2157.9 Ų57.911%0.1131%0.309CS..Hα-helixtrans-60.1-46.5175.4179.965.4000111.6L154 T157 L160 P212 S213 E214 L218 V219 W220L154-L216 HydrophobicContact CB-CD2 4.44Å; L154-L216 HydrophobicContact CD1-CD2 4.06Å; T157-L216 HydrophobicContact CG2-CD1 4Å; T157-L216 HydrophobicContact CG2-CD2 3.88Å; L160-L216 HydrophobicContact CD2-CB 3.92Å; L160-L216 HydrophobicContact CD2-CD1 3.92Å; P212-L216 PolarHBondContact O-N 3.13Å; S213-L216 PolarHBondContact O-N 2.89Å; E214-L216 PolarHBondContact O-N 3.17Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 2.91Å; L216-V219 PolarHBondContact O-N 2.88Å; L216-W220 HydrophobicContact CD1-CZ2 4.39Å; L216-W220 HydrophobicContact CD2-CZ2 4.47Å; L216-W220 HydrophobicContact CG-CZ2 4.49Å; L216-W220 PolarHBondContact O-N 2.92Å
217F84.9Confident83.1Confident112 Ų11255.3 Ų55.349%0.49131%0.305SS..Hα-helixtrans-58.2-46176.8169.5-101000111.8S213 E214 W220 K221S213-F217 PolarHBondContact O-N 3.42Å; E214-F217 PolarHBondContact O-N 2.88Å; F217-W220 PolarHBondContact O-N 3.34Å; F217-K221 PolarHBondContact O-N 3.38Å
218L88.1Confident83.8Confident4 Ų449.5 Ų49.52%0.02128%0.283CS..Hα-helixtrans-65.7-42.8179.1-67.8179000112.1E189 A194 E214 M215 L216 W220 K221 V222E189-L218 HydrophobicContact CB-CD2 3.89Å; E189-L218 VanDerWaalsContact O-CD2 3.27Å; E189-L218 WeakPolarHBondContact O-CD2 3.44Å; A194-L218 HydrophobicContact CB-CD1 3.33Å; E214-L218 HydrophobicContact CG-CD1 4.47Å; E214-L218 WeakPolarHBondContact O-CG 3.39Å; E214-L218 PolarHBondContact O-N 3.3Å; M215-L218 PolarHBondContact O-N 3.45Å; L216-L218 VanDerWaalsContact C-N 3.34Å; L216-L218 PolarHBondContact O-N 2.91Å; L218-W220 VanDerWaalsContact C-N 3.3Å; L218-W220 PolarHBondContact O-N 3.26Å; L218-K221 WeakPolarHBondContact O-CB 3.18Å; L218-K221 PolarHBondContact O-N 3.49Å; L218-V222 WeakPolarHBondContact O-CG2 3.24Å; L218-V222 PolarHBondContact O-N 3.28Å
219V89.1Confident84.2Confident1 Ų155.8 Ų55.81%0.00630%0.3CS..Hα-helixtrans-56.2-45.6174.5166.20000111L160 I191 M215 L216 K221 V222 A223 L226 L237 M241L160-V219 HydrophobicContact CD1-CG2 4.09Å; I191-V219 HydrophobicContact CD1-CG2 4.32Å; M215-V219 WeakPolarHBondContact O-CB 3.46Å; M215-V219 VanDerWaalsContact O-CG2 3.31Å; M215-V219 WeakPolarHBondContact O-CG2 3.39Å; M215-V219 PolarHBondContact O-N 2.95Å; M215-V219 HydrophobicContact SD-CG2 4.37Å; L216-V219 PolarHBondContact O-N 2.88Å; V219-K221 VanDerWaalsContact C-N 3.27Å; V219-K221 PolarHBondContact O-N 3.24Å; V219-V222 PolarHBondContact O-N 2.91Å; V219-A223 PolarHBondContact O-N 2.99Å; V219-L226 HydrophobicContact CG1-CB 4.5Å; V219-L226 HydrophobicContact CG1-CD1 4.43Å; V219-L237 HydrophobicContact CG1-CD1 3.54Å; V219-L237 HydrophobicContact CG2-CD1 4.09Å; V219-M241 HydrophobicContact CG2-SD 4.15Å
220W86.1Confident84.5Confident68 Ų6857.9 Ų57.926%0.25831%0.307SS..Hα-helixtrans-63.1-33.7176.8-74.65.5000113.1L216 F217 L218 L226 A227 T228 F229L216-W220 HydrophobicContact CD1-CZ2 4.39Å; L216-W220 HydrophobicContact CD2-CZ2 4.47Å; L216-W220 HydrophobicContact CG-CZ2 4.49Å; L216-W220 PolarHBondContact O-N 2.92Å; F217-W220 PolarHBondContact O-N 3.34Å; L218-W220 VanDerWaalsContact C-N 3.3Å; L218-W220 PolarHBondContact O-N 3.26Å; W220-L226 PolarHBondContact NE1-O 3.23Å; W220-A227 HydrophobicContact CB-CB 3.69Å; W220-A227 VanDerWaalsContact CD1-CA 3.48Å; W220-A227 HydrophobicContact CD2-CB 4.34Å; W220-A227 HydrophobicContact CG-CB 3.82Å; W220-A227 WeakPolarHBondContact O-CB 3.29Å; W220-T228 VanDerWaalsContact CZ2-O 3.27Å; W220-T228 WeakPolarHBondContact CZ2-O 3.42Å; W220-F229 AromaticContact CH2-CD1 3.99Å; W220-F229 HydrophobicContact CH2-CD1 3.99Å; W220-F229 HydrophobicContact CH2-CD2 4.34Å; W220-F229 AromaticContact CH2-CE1 3.73Å; W220-F229 HydrophobicContact CH2-CE1 3.73Å; W220-F229 HydrophobicContact CH2-CE2 4.09Å; W220-F229 HydrophobicContact CH2-CG 4.3Å; W220-F229 AromaticContact CH2-CZ 3.78Å; W220-F229 HydrophobicContact CH2-CZ 3.78Å; W220-F229 HydrophobicContact CZ3-CZ 4.25Å
221K88.4Confident84.7Confident104 Ų10459.6 Ų59.645%0.45232%0.315SS..Hα-helixtrans-71.7-44.6178.1-170.1179.8-179.3-177.30112.3E189 F217 L218 V219E189-K221 IonicContact OE1-NZ 2.95Å; E189-K221 PolarHBondContact OE1-NZ 3.29Å; E189-K221 IonicContact OE2-NZ 3.58Å; E189-K221 PolarHBondContact OE2-NZ 3.03Å; F217-K221 PolarHBondContact O-N 3.38Å; L218-K221 WeakPolarHBondContact O-CB 3.18Å; L218-K221 PolarHBondContact O-N 3.49Å; V219-K221 VanDerWaalsContact C-N 3.27Å; V219-K221 PolarHBondContact O-N 3.24Å
222V85.8Confident85.2Confident55 Ų5558.1 Ų58.133%0.33330%0.303SS..Hα-helixtrans-85.8-25-174.5-57.60000113.4I191 L218 V219 V244I191-V222 HydrophobicContact CD1-CG2 4.02Å; L218-V222 WeakPolarHBondContact O-CG2 3.24Å; L218-V222 PolarHBondContact O-N 3.28Å; V219-V222 PolarHBondContact O-N 2.91Å; V222-V244 HydrophobicContact CB-CB 4.49Å; V222-V244 HydrophobicContact CB-CG1 3.9Å; V222-V244 HydrophobicContact CB-CG2 3.72Å; V222-V244 HydrophobicContact CG1-CG1 3.95Å; V222-V244 HydrophobicContact CG2-CB 4.32Å; V222-V244 HydrophobicContact CG2-CG1 3.96Å; V222-V244 HydrophobicContact CG2-CG2 3.63Å
223A87.2Confident85.6Confident4 Ų460.6 Ų60.63%0.03332%0.316CS..  trans-127.479.4177.200000110V219 S225 L226 N240V219-A223 PolarHBondContact O-N 2.99Å; A223-S225 PolarHBondContact O-N 2.95Å; A223-S225 VanDerWaalsContact O-N 3.08Å; A223-L226 HydrophobicContact CB-CB 4.35Å; A223-L226 HydrophobicContact CB-CD1 3.87Å; A223-L226 HydrophobicContact CB-CG 4.16Å; A223-L226 WeakPolarHBondContact O-CB 3.48Å; A223-L226 PolarHBondContact O-N 3.46Å; A223-N240 HydrophobicContact CB-CB 4.06Å
224P85.3Confident86.5Confident99 Ų9957.3 Ų57.364%0.64329%0.293SS*.G310 helixtrans-58.2-24.9-176.9-26.535.3000114.4L226 A227P224-L226 PolarHBondContact O-N 3.42Å; P224-A227 WeakPolarHBondContact O-CB 3.37Å; P224-A227 PolarHBondContact O-N 2.99Å
225S86.1Confident87.2Confident68 Ų6853.2 Ų53.248%0.47627%0.274SS..G310 helixtrans-62.8-29.417458.80000112.7A223 E236A223-S225 PolarHBondContact O-N 2.95Å; A223-S225 VanDerWaalsContact O-N 3.08Å; S225-E236 PolarHBondContact OG-OE1 3.07Å
226L85.3Confident87.5Confident0 Ų056.5 Ų56.50%029%0.289CS..G310 helixtrans-92.2-2.2179-57177.5000112.6V219 W220 A223 P224 T228 Q232 E236 L237 N240V219-L226 HydrophobicContact CG1-CB 4.5Å; V219-L226 HydrophobicContact CG1-CD1 4.43Å; W220-L226 PolarHBondContact NE1-O 3.23Å; A223-L226 HydrophobicContact CB-CB 4.35Å; A223-L226 HydrophobicContact CB-CD1 3.87Å; A223-L226 HydrophobicContact CB-CG 4.16Å; A223-L226 WeakPolarHBondContact O-CB 3.48Å; A223-L226 PolarHBondContact O-N 3.46Å; P224-L226 PolarHBondContact O-N 3.42Å; L226-T228 PolarHBondContact O-N 3.42Å; L226-Q232 HydrophobicContact CD2-CB 4.06Å; L226-Q232 HydrophobicContact CD2-CG 4.14Å; L226-E236 HydrophobicContact CD2-CB 4.48Å; L226-E236 HydrophobicContact CD2-CG 3.99Å; L226-L237 HydrophobicContact CD1-CB 4.06Å; L226-L237 HydrophobicContact CD1-CD1 3.75Å; L226-N240 HydrophobicContact CD1-CB 4.25Å
227A82.5Confident88Confident42 Ų4255.6 Ų55.635%0.34728%0.284SS..  trans-78.954.9-175.700000113.1W220 P224W220-A227 HydrophobicContact CB-CB 3.69Å; W220-A227 VanDerWaalsContact CD1-CA 3.48Å; W220-A227 HydrophobicContact CD2-CB 4.34Å; W220-A227 HydrophobicContact CG-CB 3.82Å; W220-A227 WeakPolarHBondContact O-CB 3.29Å; P224-A227 WeakPolarHBondContact O-CB 3.37Å; P224-A227 PolarHBondContact O-N 2.99Å
228T81.9Confident88.6Confident47 Ų4750.2 Ų50.229%0.28826%0.261SS..SBendtrans-130.4157.9179.580.70000110.8W220 L226 E230 Q232W220-T228 VanDerWaalsContact CZ2-O 3.27Å; W220-T228 WeakPolarHBondContact CZ2-O 3.42Å; L226-T228 PolarHBondContact O-N 3.42Å; T228-E230 PolarHBondContact O-N 3.44Å; T228-E230 WeakPolarHBondContact OG1-CB 3.15Å; T228-E230 PolarHBondContact OG1-N 3.15Å; T228-E230 VanDerWaalsContact OG1-N 3.15Å; T228-Q232 PolarHBondContact OG1-NE2 3.45Å
229F77.4Confident89Confident171 Ų17152.2 Ų52.275%0.7527%0.271SS*.SBendtrans-77.4-3.5168.7-68.3-83.1000112.5N156 W220N156-F229 PolarHBondContact ND2-O 3.04Å; W220-F229 AromaticContact CH2-CD1 3.99Å; W220-F229 HydrophobicContact CH2-CD1 3.99Å; W220-F229 HydrophobicContact CH2-CD2 4.34Å; W220-F229 AromaticContact CH2-CE1 3.73Å; W220-F229 HydrophobicContact CH2-CE1 3.73Å; W220-F229 HydrophobicContact CH2-CE2 4.09Å; W220-F229 HydrophobicContact CH2-CG 4.3Å; W220-F229 AromaticContact CH2-CZ 3.78Å; W220-F229 HydrophobicContact CH2-CZ 3.78Å; W220-F229 HydrophobicContact CZ3-CZ 4.25Å
230E82.8Confident89.3Confident142 Ų14254 Ų5466%0.66428%0.281SS*.SBendtrans-79.6166.3-179.2-58.4-170.3160.800111.3T228T228-E230 PolarHBondContact O-N 3.44Å; T228-E230 WeakPolarHBondContact OG1-CB 3.15Å; T228-E230 PolarHBondContact OG1-N 3.15Å; T228-E230 VanDerWaalsContact OG1-N 3.15Å
231Q86Confident89.7Confident71 Ų7151 Ų5133%0.33227%0.269SS..  trans-70135.4174.3-59.7-166.7-21.600109.8N156 G422N156-Q231 HydrophobicContact CB-CG 3.97Å; N156-Q231 PolarHBondContact OD1-NE2 2.93Å; Q231-G422 PolarHBondContact NE2-O 3.18Å; Q231-G422 PolarHBondContact OE1-O 3.39Å
232Q93Very high90Very high30 Ų3046 Ų4614%0.1425%0.248CC..  trans-119163.7-178.5-61.4-58.4-45.400111.3F159 L226 T228 Y424F159-Q232 WeakPolarHBondContact CB-O 3.39Å; F159-Q232 HydrophobicContact CD1-CB 3.97Å; F159-Q232 HydrophobicContact CD2-CB 3.84Å; F159-Q232 HydrophobicContact CE1-CB 3.88Å; F159-Q232 HydrophobicContact CE1-CG 4.08Å; F159-Q232 HydrophobicContact CE2-CB 3.75Å; F159-Q232 HydrophobicContact CE2-CG 4.27Å; F159-Q232 HydrophobicContact CG-CB 3.97Å; F159-Q232 HydrophobicContact CZ-CB 3.78Å; F159-Q232 HydrophobicContact CZ-CG 3.9Å; L226-Q232 HydrophobicContact CD2-CB 4.06Å; L226-Q232 HydrophobicContact CD2-CG 4.14Å; T228-Q232 PolarHBondContact OG1-NE2 3.45Å; Q232-Y424 WeakPolarHBondContact O-CE2 3.29Å
233D94Very high90.3Very high53 Ų5346.8 Ų46.828%0.28325%0.25SC..  trans-79.6126.2176.9-163.8-42.7000111.4H235 E236 L237 Y457D233-H235 VanDerWaalsContact C-N 3.28Å; D233-H235 PolarHBondContact O-N 2.71Å; D233-H235 WeakPolarHBondContact OD1-CA 3.41Å; D233-H235 VanDerWaalsContact OD1-CB 3.31Å; D233-H235 WeakPolarHBondContact OD1-CB 3.46Å; D233-H235 PolarHBondContact OD1-N 3.09Å; D233-E236 HydrophobicContact CB-CB 3.93Å; D233-E236 PolarHBondContact O-N 2.95Å; D233-L237 PolarHBondContact O-N 3.26Å; D233-Y457 PolarHBondContact OD1-OH 3.3Å; D233-Y457 PolarHBondContact OD2-OH 2.99Å
234A96.5Very high90.4Very high0 Ų047.1 Ų47.10%025%0.252CS..Hα-helixtrans-64.8-31.5177.400000112.8F159 I163 Y238 Y424 Y457 M458F159-A234 HydrophobicContact CB-CB 4.22Å; I163-A234 HydrophobicContact CD1-CB 4.17Å; I163-A234 HydrophobicContact CG1-CB 4.11Å; I163-A234 WeakPolarHBondContact CG1-O 3.44Å; A234-Y238 WeakPolarHBondContact O-CB 3.35Å; A234-Y238 PolarHBondContact O-N 3.12Å; A234-Y424 HydrophobicContact CB-CD1 3.91Å; A234-Y424 HydrophobicContact CB-CD2 4.42Å; A234-Y424 HydrophobicContact CB-CE1 3.74Å; A234-Y424 HydrophobicContact CB-CE2 4.28Å; A234-Y424 HydrophobicContact CB-CG 4.25Å; A234-Y457 HydrophobicContact CB-CE1 4.4Å; A234-M458 HydrophobicContact CB-SD 4.37Å
235H96.6Very high90.7Very high19 Ų1942.5 Ų42.59%0.08822%0.222CC..Hα-helixtrans-69.9-41175.5176.5-121.2000111.3D233 Y238 L239 N292 H352 Y457 M458D233-H235 VanDerWaalsContact C-N 3.28Å; D233-H235 PolarHBondContact O-N 2.71Å; D233-H235 WeakPolarHBondContact OD1-CA 3.41Å; D233-H235 VanDerWaalsContact OD1-CB 3.31Å; D233-H235 WeakPolarHBondContact OD1-CB 3.46Å; D233-H235 PolarHBondContact OD1-N 3.09Å; H235-Y238 PolarHBondContact O-N 2.85Å; H235-L239 VanDerWaalsContact CE1-CD1 3.46Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.34Å; H235-L239 WeakPolarHBondContact NE2-CD1 3.43Å; H235-L239 PolarHBondContact O-N 3.13Å; H235-N292 PolarHBondContact NE2-ND2 3.4Å; H235-N292 VanDerWaalsContact NE2-ND2 3.19Å; H235-N292 PolarHBondContact NE2-OD1 2.84Å; H235-H352 AromaticContact CD2-CG 3.9Å; H235-H352 AromaticContact CE1-ND1 3.4Å; H235-H352 PolarHBondContact CE1-ND1 3.19Å; H235-H352 AromaticContact CG-CE1 3.93Å; H235-H352 AromaticContact CG-CG 3.63Å; H235-H352 AromaticContact CG-ND1 3.57Å; H235-H352 AromaticContact ND1-CE1 3.41Å; H235-H352 PolarHBondContact ND1-CE1 2.81Å; H235-H352 AromaticContact ND1-CG 3.7Å; H235-H352 AromaticContact ND1-ND1 3.11Å; H235-H352 PolarHBondContact ND1-ND1 2.89Å; H235-H352 VanDerWaalsContact ND1-ND1 3.11Å; H235-H352 AromaticContact NE2-ND1 3.92Å; H235-Y457 HydrophobicContact CB-CE1 4.08Å; H235-M458 HydrophobicContact CB-CE 4.25Å; H235-M458 HydrophobicContact CB-SD 4.02Å
236E95.8Very high90.9Very high76 Ų7641.6 Ų41.636%0.35521%0.21SC..Hα-helixtrans-62.4-45.7174.6-175178.6176.800111S225 L226 D233 Y238 L239 N240S225-E236 PolarHBondContact OG-OE1 3.07Å; L226-E236 HydrophobicContact CD2-CB 4.48Å; L226-E236 HydrophobicContact CD2-CG 3.99Å; D233-E236 HydrophobicContact CB-CB 3.93Å; D233-E236 PolarHBondContact O-N 2.95Å; E236-Y238 VanDerWaalsContact C-N 3.34Å; E236-Y238 PolarHBondContact O-N 3.5Å; E236-L239 PolarHBondContact O-N 3.49Å; E236-N240 WeakPolarHBondContact CG-ND2 3.22Å; E236-N240 PolarHBondContact O-N 3.36Å; E236-N240 PolarHBondContact O-ND2 3.21Å
237L96.1Very high91Very high1 Ų147.6 Ų47.61%0.00524%0.238CC..Hα-helixtrans-58.5-45.5174175.165.9000111.8F159 L160 I163 V219 L226 D233 L239 N240 M241F159-L237 HydrophobicContact CD2-CB 3.99Å; F159-L237 HydrophobicContact CD2-CD2 3.59Å; F159-L237 HydrophobicContact CD2-CG 4.33Å; F159-L237 HydrophobicContact CE2-CB 4.25Å; F159-L237 HydrophobicContact CE2-CD1 4.46Å; F159-L237 HydrophobicContact CE2-CD2 3.77Å; F159-L237 HydrophobicContact CE2-CG 4.38Å; L160-L237 VanDerWaalsContact CA-CD2 3.47Å; L160-L237 HydrophobicContact CB-CD2 4.08Å; L160-L237 HydrophobicContact CD1-CD2 3.72Å; I163-L237 HydrophobicContact CB-CD2 4.16Å; I163-L237 HydrophobicContact CG1-CD2 4.23Å; I163-L237 HydrophobicContact CG2-CD2 4.5Å; V219-L237 HydrophobicContact CG1-CD1 3.54Å; V219-L237 HydrophobicContact CG2-CD1 4.09Å; L226-L237 HydrophobicContact CD1-CB 4.06Å; L226-L237 HydrophobicContact CD1-CD1 3.75Å; D233-L237 PolarHBondContact O-N 3.26Å; L237-L239 VanDerWaalsContact C-N 3.33Å; L237-L239 PolarHBondContact O-N 2.98Å; L237-N240 PolarHBondContact O-N 3.41Å; L237-M241 HydrophobicContact CD1-CG 4.04Å; L237-M241 HydrophobicContact CG-CG 4.26Å; L237-M241 WeakPolarHBondContact O-CB 3.49Å; L237-M241 VanDerWaalsContact O-CG 3.25Å; L237-M241 WeakPolarHBondContact O-CG 3.45Å; L237-M241 PolarHBondContact O-N 3.03Å
238Y97.4Very high91.2Very high0 Ų047.9 Ų47.90%024%0.235CC..Hα-helixtrans-57.7-45.8179.3169.7-96.4000111.9A234 H235 E236 M241 M242 F267 Y291 N292 C350 M458 F460A234-Y238 WeakPolarHBondContact O-CB 3.35Å; A234-Y238 PolarHBondContact O-N 3.12Å; H235-Y238 PolarHBondContact O-N 2.85Å; E236-Y238 VanDerWaalsContact C-N 3.34Å; E236-Y238 PolarHBondContact O-N 3.5Å; Y238-M241 WeakPolarHBondContact O-CB 3.45Å; Y238-M241 PolarHBondContact O-N 2.88Å; Y238-M242 HydrophobicContact CD2-CE 4.16Å; Y238-M242 HydrophobicContact CE1-CG 4.18Å; Y238-M242 HydrophobicContact CE2-CE 3.83Å; Y238-M242 HydrophobicContact CE2-CG 4.33Å; Y238-M242 HydrophobicContact CE2-SD 4.27Å; Y238-M242 WeakPolarHBondContact O-CG 3.16Å; Y238-M242 PolarHBondContact O-N 3.47Å; Y238-M242 VanDerWaalsContact O-N 3.12Å; Y238-F267 HydrophobicContact CE2-CD1 4.47Å; Y238-F267 WeakPolarHBondContact OH-CD1 3.25Å; Y238-Y291 PolarHBondContact OH-O 3.37Å; Y238-Y291 VanDerWaalsContact OH-O 3.06Å; Y238-N292 HydrophobicContact CE1-CB 4.21Å; Y238-C350 HydrophobicContact CE1-CB 3.96Å; Y238-M458 HydrophobicContact CD1-CE 4.14Å; Y238-M458 HydrophobicContact CG-CE 3.95Å; Y238-F460 HydrophobicContact CD2-CE1 4.02Å; Y238-F460 HydrophobicContact CD2-CZ 4.16Å; Y238-F460 AromaticContact CE2-CE1 3.64Å; Y238-F460 HydrophobicContact CE2-CE1 3.64Å; Y238-F460 HydrophobicContact CE2-CZ 4.24Å
239L96.2Very high91.1Very high46 Ų4648.3 Ų48.324%0.24123%0.234CC..Hα-helixtrans-64.9-47.1178.5-72.4-178.8000112.1H235 E236 L237 M241 M242 D243 N292H235-L239 VanDerWaalsContact CE1-CD1 3.46Å; H235-L239 WeakPolarHBondContact CE1-CD1 3.34Å; H235-L239 WeakPolarHBondContact NE2-CD1 3.43Å; H235-L239 PolarHBondContact O-N 3.13Å; E236-L239 PolarHBondContact O-N 3.49Å; L237-L239 VanDerWaalsContact C-N 3.33Å; L237-L239 PolarHBondContact O-N 2.98Å; L239-M241 VanDerWaalsContact C-N 3.25Å; L239-M241 PolarHBondContact O-N 3.23Å; L239-M242 PolarHBondContact O-N 3.41Å; L239-D243 PolarHBondContact O-N 3.43Å; L239-N292 WeakPolarHBondContact CD2-OD1 3.48Å
240N94.7Very high91Very high39 Ų3943.1 Ų43.121%0.20921%0.212CC..Hα-helixtrans-57.2-40.7175.5-81.2-83.5000111.5A223 L226 E236 L237 M242 D243 V244A223-N240 HydrophobicContact CB-CB 4.06Å; L226-N240 HydrophobicContact CD1-CB 4.25Å; E236-N240 WeakPolarHBondContact CG-ND2 3.22Å; E236-N240 PolarHBondContact O-N 3.36Å; E236-N240 PolarHBondContact O-ND2 3.21Å; L237-N240 PolarHBondContact O-N 3.41Å; N240-M242 VanDerWaalsContact C-N 3.35Å; N240-M242 PolarHBondContact O-N 2.79Å; N240-D243 PolarHBondContact O-N 2.96Å; N240-V244 WeakPolarHBondContact O-CB 3.47Å; N240-V244 WeakPolarHBondContact O-CG2 3.27Å; N240-V244 PolarHBondContact O-N 3.35Å
241M94.2Very high89.8Confident4 Ų442.3 Ų42.32%0.0222%0.217CC..Hα-helixtrans-60.3-42.5175.3-74.7-71.2-66.100112L167 I191 V219 L237 Y238 L239 I245L167-M241 HydrophobicContact CD1-CE 3.8Å; I191-M241 HydrophobicContact CD1-CE 4.02Å; I191-M241 HydrophobicContact CD1-SD 3.44Å; I191-M241 WeakPolarHBondContact CD1-SD 3.5Å; I191-M241 HydrophobicContact CG1-CE 4.31Å; I191-M241 HydrophobicContact CG1-SD 4.35Å; V219-M241 HydrophobicContact CG2-SD 4.15Å; L237-M241 HydrophobicContact CD1-CG 4.04Å; L237-M241 HydrophobicContact CG-CG 4.26Å; L237-M241 WeakPolarHBondContact O-CB 3.49Å; L237-M241 VanDerWaalsContact O-CG 3.25Å; L237-M241 WeakPolarHBondContact O-CG 3.45Å; L237-M241 PolarHBondContact O-N 3.03Å; Y238-M241 WeakPolarHBondContact O-CB 3.45Å; Y238-M241 PolarHBondContact O-N 2.88Å; L239-M241 VanDerWaalsContact C-N 3.25Å; L239-M241 PolarHBondContact O-N 3.23Å; M241-I245 WeakPolarHBondContact O-CB 3.48Å; M241-I245 WeakPolarHBondContact O-CD1 3.28Å; M241-I245 WeakPolarHBondContact O-CG1 3.46Å; M241-I245 PolarHBondContact O-N 3.34Å
242M94.7Very high88Confident0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-65-42.5177.9-63.2-55.9108.800111.8L167 Y238 L239 N240 I245 H246 A263 F267 Y291L167-M242 HydrophobicContact CD2-CE 3.86Å; Y238-M242 HydrophobicContact CD2-CE 4.16Å; Y238-M242 HydrophobicContact CE1-CG 4.18Å; Y238-M242 HydrophobicContact CE2-CE 3.83Å; Y238-M242 HydrophobicContact CE2-CG 4.33Å; Y238-M242 HydrophobicContact CE2-SD 4.27Å; Y238-M242 WeakPolarHBondContact O-CG 3.16Å; Y238-M242 PolarHBondContact O-N 3.47Å; Y238-M242 VanDerWaalsContact O-N 3.12Å; L239-M242 PolarHBondContact O-N 3.41Å; N240-M242 VanDerWaalsContact C-N 3.35Å; N240-M242 PolarHBondContact O-N 2.79Å; M242-I245 HydrophobicContact CE-CD1 4.09Å; M242-I245 PolarHBondContact O-N 3.36Å; M242-H246 WeakPolarHBondContact O-CB 3.42Å; M242-H246 PolarHBondContact O-N 2.94Å; M242-A263 HydrophobicContact CB-CB 4.41Å; M242-A263 WeakPolarHBondContact O-CB 3.39Å; M242-A263 HydrophobicContact SD-CB 4.33Å; M242-F267 HydrophobicContact CE-CD2 4.13Å; M242-F267 HydrophobicContact CE-CE2 4.17Å; M242-F267 HydrophobicContact SD-CB 3.8Å; M242-F267 HydrophobicContact SD-CD1 4.46Å; M242-F267 HydrophobicContact SD-CD2 3.32Å; M242-F267 WeakPolarHBondContact SD-CD2 3.45Å; M242-F267 HydrophobicContact SD-CE2 3.96Å; M242-F267 HydrophobicContact SD-CG 3.61Å; M242-Y291 HydrophobicContact CB-CD1 3.95Å; M242-Y291 HydrophobicContact CB-CD2 3.57Å; M242-Y291 HydrophobicContact CB-CE1 4.1Å; M242-Y291 HydrophobicContact CB-CE2 3.73Å; M242-Y291 HydrophobicContact CB-CG 3.69Å; M242-Y291 HydrophobicContact CG-CD1 4.12Å; M242-Y291 HydrophobicContact CG-CD2 4.24Å; M242-Y291 HydrophobicContact CG-CG 3.88Å
243D91.9Very high86Confident70 Ų7049.7 Ų49.737%0.37427%0.269SS..Hα-helixtrans-64.1-44.9177.9-71.4-29.9000111.6L239 N240 H246 Q247 Y291L239-D243 PolarHBondContact O-N 3.43Å; N240-D243 PolarHBondContact O-N 2.96Å; D243-H246 WeakPolarHBondContact O-CB 3.48Å; D243-H246 PolarHBondContact O-N 3Å; D243-Q247 VanDerWaalsContact O-CG 3.31Å; D243-Q247 WeakPolarHBondContact O-CG 3.39Å; D243-Q247 PolarHBondContact O-N 3.05Å; D243-Y291 WeakPolarHBondContact OD1-CE2 3.32Å
244V90.5Very high84Confident12 Ų1250.9 Ų50.97%0.07328%0.279CS..Hα-helixtrans-66.7-42.8178.7177.10000111I191 V222 N240 H246 Q247 T248I191-V244 HydrophobicContact CB-CG1 4.39Å; I191-V244 HydrophobicContact CD1-CG1 4.41Å; I191-V244 HydrophobicContact CG2-CG1 3.62Å; V222-V244 HydrophobicContact CB-CB 4.49Å; V222-V244 HydrophobicContact CB-CG1 3.9Å; V222-V244 HydrophobicContact CB-CG2 3.72Å; V222-V244 HydrophobicContact CG1-CG1 3.95Å; V222-V244 HydrophobicContact CG2-CB 4.32Å; V222-V244 HydrophobicContact CG2-CG1 3.96Å; V222-V244 HydrophobicContact CG2-CG2 3.63Å; N240-V244 WeakPolarHBondContact O-CB 3.47Å; N240-V244 WeakPolarHBondContact O-CG2 3.27Å; N240-V244 PolarHBondContact O-N 3.35Å; V244-H246 VanDerWaalsContact C-N 3.25Å; V244-H246 PolarHBondContact O-N 3.38Å; V244-Q247 PolarHBondContact O-N 3.48Å; V244-T248 WeakPolarHBondContact O-CB 3.45Å; V244-T248 PolarHBondContact O-N 2.57Å; V244-T248 PolarHBondContact O-OG1 2.82Å
245I90.8Very high82.1Confident2 Ų258.8 Ų58.81%0.0132%0.315CS..Hα-helixtrans-56.6-44.1174.1-73.1166.8000110.2L192 M241 M242 T248 E249 L262 A263L192-I245 HydrophobicContact CD2-CB 4.45Å; L192-I245 HydrophobicContact CD2-CG1 3.87Å; L192-I245 HydrophobicContact CD2-CG2 4.08Å; M241-I245 WeakPolarHBondContact O-CB 3.48Å; M241-I245 WeakPolarHBondContact O-CD1 3.28Å; M241-I245 WeakPolarHBondContact O-CG1 3.46Å; M241-I245 PolarHBondContact O-N 3.34Å; M242-I245 HydrophobicContact CE-CD1 4.09Å; M242-I245 PolarHBondContact O-N 3.36Å; I245-T248 PolarHBondContact O-N 3.04Å; I245-E249 PolarHBondContact O-N 3.05Å; I245-L262 HydrophobicContact CG2-CB 3.88Å; I245-L262 HydrophobicContact CG2-CD2 4.35Å; I245-L262 HydrophobicContact CG2-CG 4.34Å; I245-A263 HydrophobicContact CB-CB 4.23Å; I245-A263 HydrophobicContact CG2-CB 3.8Å
246H90.2Very high80.4Confident49 Ų4960.4 Ų60.423%0.22733%0.332CS..Hα-helixtrans-62.5-48.5177.3172.451.2000112.5M242 D243 V244 T248 E249 H250 C259 A263 H264M242-H246 WeakPolarHBondContact O-CB 3.42Å; M242-H246 PolarHBondContact O-N 2.94Å; D243-H246 WeakPolarHBondContact O-CB 3.48Å; D243-H246 PolarHBondContact O-N 3Å; V244-H246 VanDerWaalsContact C-N 3.25Å; V244-H246 PolarHBondContact O-N 3.38Å; H246-T248 VanDerWaalsContact C-N 3.31Å; H246-T248 PolarHBondContact O-N 3.16Å; H246-E249 PolarHBondContact O-N 3.25Å; H246-H250 PolarHBondContact O-N 3.44Å; H246-H250 VanDerWaalsContact O-N 3.1Å; H246-C259 PolarHBondContact ND1-SG 3.27Å; H246-A263 HydrophobicContact CB-CB 4.4Å; H246-H264 AromaticContact CE1-CE1 3.55Å; H246-H264 AromaticContact CE1-ND1 3.83Å; H246-H264 AromaticContact CG-CE1 3.78Å; H246-H264 AromaticContact CG-ND1 3.99Å; H246-H264 AromaticContact ND1-CE1 3.44Å; H246-H264 PolarHBondContact ND1-CE1 3.33Å; H246-H264 AromaticContact ND1-ND1 3.4Å; H246-H264 PolarHBondContact ND1-ND1 3.28Å; H246-H264 AromaticContact NE2-CE1 3.92Å
247Q88.3Confident79Confident125 Ų12561.1 Ų61.158%0.58435%0.351SS*.Hα-helixtrans-64.2-34.4179.4-69.6170.315.700112.7D243 V244 E249 H250D243-Q247 VanDerWaalsContact O-CG 3.31Å; D243-Q247 WeakPolarHBondContact O-CG 3.39Å; D243-Q247 PolarHBondContact O-N 3.05Å; V244-Q247 PolarHBondContact O-N 3.48Å; Q247-E249 VanDerWaalsContact C-N 3.33Å; Q247-E249 PolarHBondContact O-N 3.36Å; Q247-H250 CarbonylContact O-C 3.51Å
248T85.6Confident78Confident48 Ų4867.2 Ų67.229%0.29438%0.383SS..Hα-helixtrans-66.8-34.8180-56.40000111.9C190 L192 V244 I245 H246C190-T248 WeakPolarHBondContact SG-CG2 3.5Å; L192-T248 HydrophobicContact CD1-CG2 3.81Å; L192-T248 HydrophobicContact CG-CG2 4.27Å; V244-T248 WeakPolarHBondContact O-CB 3.45Å; V244-T248 PolarHBondContact O-N 2.57Å; V244-T248 PolarHBondContact O-OG1 2.82Å; I245-T248 PolarHBondContact O-N 3.04Å; H246-T248 VanDerWaalsContact C-N 3.31Å; H246-T248 PolarHBondContact O-N 3.16Å
249E81.4Confident77.4Confident57 Ų5767.8 Ų67.827%0.26639%0.387SS..Hα-helixtrans-91.2-20.1-179.7-61-151.995.600113.9F176 L192 I245 H246 Q247 C261 L262F176-E249 WeakPolarHBondContact CZ-OE1 3.41Å; L192-E249 HydrophobicContact CD1-CG 3.48Å; L192-E249 VanDerWaalsContact CD1-CG 3.48Å; I245-E249 PolarHBondContact O-N 3.05Å; H246-E249 PolarHBondContact O-N 3.25Å; Q247-E249 VanDerWaalsContact C-N 3.33Å; Q247-E249 PolarHBondContact O-N 3.36Å; E249-C261 HydrophobicContact CB-CB 3.77Å; E249-C261 HydrophobicContact CG-CB 4.19Å; E249-C261 WeakPolarHBondContact OE2-CA 3.38Å; E249-C261 VanDerWaalsContact OE2-CB 3.23Å; E249-C261 WeakPolarHBondContact OE2-CB 3.47Å; E249-L262 PolarHBondContact OE2-N 3.4Å
250H74.4Confident76.7Confident62 Ų6275.2 Ų75.229%0.28741%0.412SS..  trans-136.5108.4-179.5-69.4-76.2000111H246 Q247 C259H246-H250 PolarHBondContact O-N 3.44Å; H246-H250 VanDerWaalsContact O-N 3.1Å; Q247-H250 CarbonylContact O-C 3.51Å; H250-C259 PolarHBondContact CD2-SG 3.37Å; H250-C259 PolarHBondContact NE2-SG 3.4Å
251T57.9Low76.4Confident125 Ų12573.3 Ų73.377%0.76740%0.402SS*.  trans-83.8-28.8178.249.80000113.1
252D48.8Very low76.2Confident134 Ų13473.2 Ų73.272%0.71740%0.401SS*.SBendtrans-159.9139.5-179.2-77.9-58.3000112.5
253S50.1Low76.1Confident122 Ų12273.2 Ų73.285%0.85340%0.401SS*.  trans83.837.8147.770.50000123
254T52Low76Confident78 Ų7871 Ų7148%0.47939%0.389SS..  trans-125.2136.615940.80000111.6A256T254-A256 PolarHBondContact O-N 2.84Å
255E57.6Low75.9Confident166 Ų16675.3 Ų75.378%0.77641%0.411SS*.  trans-54.8133.3169.5-66.5-170.5170.900108.4A257 D258E255-A257 PolarHBondContact O-N 2.9Å; E255-D258 PolarHBondContact O-N 2.86Å
256A61Low76Confident53 Ų5375.6 Ų75.644%0.43841%0.413SS..G310 helixtrans-52.2-20.5-172.500000114.3T254 D258T254-A256 PolarHBondContact O-N 2.84Å; A256-D258 VanDerWaalsContact C-N 3.35Å; A256-D258 PolarHBondContact O-N 2.89Å
257A65.6Low76.3Confident90 Ų9073.3 Ų73.374%0.74440%0.402SS*.G310 helixtrans-65.4-29.1177.200000114.6E255E255-A257 PolarHBondContact O-N 2.9Å
258D75.7Confident76.6Confident130 Ų13068 Ų6870%0.69538%0.379SS*.G310 helixtrans-109.16.8-175.6-76.5-21.5000113.7E255 A256 R260E255-D258 PolarHBondContact O-N 2.86Å; A256-D258 VanDerWaalsContact C-N 3.35Å; A256-D258 PolarHBondContact O-N 2.89Å; D258-R260 PolarHBondContact O-N 3.11Å
259C83.3Confident77Confident11 Ų1165.8 Ų65.87%0.07437%0.365CS..  trans-66.4131.3179.2-176.50000111.4H246 H250 C261 H264H246-C259 PolarHBondContact ND1-SG 3.27Å; H250-C259 PolarHBondContact CD2-SG 3.37Å; H250-C259 PolarHBondContact NE2-SG 3.4Å; C259-C261 PolarHBondContact SG-SG 3.13Å; C259-H264 HydrophobicContact CB-CB 4.13Å; C259-H264 WeakPolarHBondContact CB-ND1 3.31Å; C259-H264 PolarHBondContact SG-ND1 2.86Å
260R83.1Confident77.7Confident202 Ų20264.3 Ų64.376%0.76236%0.36SS*.  trans-109.619.2-179.2-62.9-170178.6-165.40.4113.5D258 L265D258-R260 PolarHBondContact O-N 3.11Å; R260-L265 WeakPolarHBondContact O-CD1 3.49Å
261C87.8Confident78.7Confident0 Ų061.7 Ų61.70%035%0.349CS..SBendtrans-68.816217471.60000111.9E249 C259 A263 H264 L265E249-C261 HydrophobicContact CB-CB 3.77Å; E249-C261 HydrophobicContact CG-CB 4.19Å; E249-C261 WeakPolarHBondContact OE2-CA 3.38Å; E249-C261 VanDerWaalsContact OE2-CB 3.23Å; E249-C261 WeakPolarHBondContact OE2-CB 3.47Å; C259-C261 PolarHBondContact SG-SG 3.13Å; C261-A263 VanDerWaalsContact C-N 3.26Å; C261-A263 PolarHBondContact O-N 3.28Å; C261-H264 PolarHBondContact O-N 2.99Å; C261-H264 PolarHBondContact SG-N 2.83Å; C261-H264 VanDerWaalsContact SG-N 3.4Å; C261-H264 PolarHBondContact SG-ND1 3.16Å; C261-L265 WeakPolarHBondContact O-CB 3.11Å; C261-L265 WeakPolarHBondContact O-CG 3.31Å; C261-L265 PolarHBondContact O-N 3.05Å
262L89Confident80.5Confident1 Ų159.3 Ų59.31%0.00533%0.326CS..Hα-helixtrans-50.9-44.9176.5174.462.6000112.4V173 F176 F177 L192 I245 E249 V266V173-L262 HydrophobicContact CG1-CD2 4.33Å; V173-L262 HydrophobicContact CG2-CD1 4.22Å; F176-L262 HydrophobicContact CB-CD1 3.78Å; F176-L262 HydrophobicContact CD1-CB 4.33Å; F176-L262 HydrophobicContact CD1-CD1 4.11Å; F176-L262 HydrophobicContact CD1-CD2 4.02Å; F176-L262 HydrophobicContact CD1-CG 4.38Å; F176-L262 HydrophobicContact CD2-CB 4.18Å; F176-L262 HydrophobicContact CD2-CD1 4.01Å; F176-L262 HydrophobicContact CE1-CB 4.14Å; F176-L262 HydrophobicContact CE1-CD2 4.24Å; F176-L262 HydrophobicContact CE2-CB 3.98Å; F176-L262 HydrophobicContact CG-CB 4.35Å; F176-L262 HydrophobicContact CG-CD1 3.71Å; F176-L262 HydrophobicContact CG-CD2 4.47Å; F176-L262 HydrophobicContact CG-CG 4.4Å; F176-L262 HydrophobicContact CZ-CB 3.96Å; F177-L262 HydrophobicContact CE2-CD2 4.41Å; F177-L262 HydrophobicContact CZ-CD2 4.3Å; L192-L262 HydrophobicContact CD2-CD2 4.1Å; I245-L262 HydrophobicContact CG2-CB 3.88Å; I245-L262 HydrophobicContact CG2-CD2 4.35Å; I245-L262 HydrophobicContact CG2-CG 4.34Å; E249-L262 PolarHBondContact OE2-N 3.4Å; L262-V266 HydrophobicContact CD1-CG2 3.71Å; L262-V266 WeakPolarHBondContact O-CB 3.38Å; L262-V266 WeakPolarHBondContact O-CG2 3.48Å; L262-V266 PolarHBondContact O-N 3.5Å; L262-V266 VanDerWaalsContact O-N 3.07Å
263A92.6Very high82.7Confident0 Ų053.5 Ų53.50%030%0.295CS..Hα-helixtrans-61.8-46.9-179.300000112.1M242 I245 H246 C261 F267 S268 Y291M242-A263 HydrophobicContact CB-CB 4.41Å; M242-A263 WeakPolarHBondContact O-CB 3.39Å; M242-A263 HydrophobicContact SD-CB 4.33Å; I245-A263 HydrophobicContact CB-CB 4.23Å; I245-A263 HydrophobicContact CG2-CB 3.8Å; H246-A263 HydrophobicContact CB-CB 4.4Å; C261-A263 VanDerWaalsContact C-N 3.26Å; C261-A263 PolarHBondContact O-N 3.28Å; A263-F267 WeakPolarHBondContact O-CA 3.27Å; A263-F267 WeakPolarHBondContact O-CB 3.35Å; A263-F267 PolarHBondContact O-N 3Å; A263-S268 PolarHBondContact O-N 3.5Å; A263-S268 VanDerWaalsContact O-N 3.17Å; A263-Y291 HydrophobicContact CB-CE1 3.97Å
264H90.9Very high84.9Confident25 Ų2548.2 Ų48.212%0.11626%0.258CS..Hα-helixtrans-71.7-40.7-179.5-80110.6000113H246 C259 C261 V266 S268H246-H264 AromaticContact CE1-CE1 3.55Å; H246-H264 AromaticContact CE1-ND1 3.83Å; H246-H264 AromaticContact CG-CE1 3.78Å; H246-H264 AromaticContact CG-ND1 3.99Å; H246-H264 AromaticContact ND1-CE1 3.44Å; H246-H264 PolarHBondContact ND1-CE1 3.33Å; H246-H264 AromaticContact ND1-ND1 3.4Å; H246-H264 PolarHBondContact ND1-ND1 3.28Å; H246-H264 AromaticContact NE2-CE1 3.92Å; C259-H264 HydrophobicContact CB-CB 4.13Å; C259-H264 WeakPolarHBondContact CB-ND1 3.31Å; C259-H264 PolarHBondContact SG-ND1 2.86Å; C261-H264 PolarHBondContact O-N 2.99Å; C261-H264 PolarHBondContact SG-N 2.83Å; C261-H264 VanDerWaalsContact SG-N 3.4Å; C261-H264 PolarHBondContact SG-ND1 3.16Å; H264-V266 PolarHBondContact O-N 3.33Å; H264-S268 PolarHBondContact CD2-OG 3.13Å; H264-S268 WeakPolarHBondContact O-CB 3.21Å
265L89.1Confident86.9Confident101 Ų10146.1 Ų46.153%0.52924%0.244SC..Hα-helixtrans-66.5-36.9179.9-71.6177.3000112.8R260 C261R260-L265 WeakPolarHBondContact O-CD1 3.49Å; C261-L265 WeakPolarHBondContact O-CB 3.11Å; C261-L265 WeakPolarHBondContact O-CG 3.31Å; C261-L265 PolarHBondContact O-N 3.05Å
266V91.8Very high88.7Confident9 Ų939.6 Ų39.66%0.05522%0.216CC..Hα-helixtrans-100.2-46-171.4-178.30000112.5T170 Q172 L262 H264 A347 V348T170-V266 HydrophobicContact CG2-CG1 4.27Å; Q172-V266 HydrophobicContact CB-CB 4.39Å; Q172-V266 HydrophobicContact CB-CG1 3.77Å; Q172-V266 HydrophobicContact CB-CG2 3.66Å; Q172-V266 HydrophobicContact CG-CG1 4.41Å; L262-V266 HydrophobicContact CD1-CG2 3.71Å; L262-V266 WeakPolarHBondContact O-CB 3.38Å; L262-V266 WeakPolarHBondContact O-CG2 3.48Å; L262-V266 PolarHBondContact O-N 3.5Å; L262-V266 VanDerWaalsContact O-N 3.07Å; H264-V266 PolarHBondContact O-N 3.33Å; V266-A347 PolarHBondContact O-N 3.17Å; V266-A347 VanDerWaalsContact O-N 3.12Å; V266-V348 HydrophobicContact CG1-CB 4.1Å; V266-V348 HydrophobicContact CG1-CG2 3.83Å; V266-V348 PolarHBondContact O-N 2.93Å
267F95.8Very high90.4Very high1 Ų137.1 Ų37.10%0.00420%0.196CC..Hα-helixtrans-112.7-12-164.3-57.8-75.9000114.2L167 T170 V173 Y238 M242 A263 Y291 P346 V348L167-F267 HydrophobicContact CD2-CE2 4.37Å; L167-F267 HydrophobicContact CD2-CZ 3.9Å; T170-F267 HydrophobicContact CG2-CE1 4.3Å; T170-F267 HydrophobicContact CG2-CZ 4.1Å; V173-F267 HydrophobicContact CG2-CE2 3.81Å; V173-F267 HydrophobicContact CG2-CZ 3.65Å; Y238-F267 HydrophobicContact CE2-CD1 4.47Å; Y238-F267 WeakPolarHBondContact OH-CD1 3.25Å; M242-F267 HydrophobicContact CE-CD2 4.13Å; M242-F267 HydrophobicContact CE-CE2 4.17Å; M242-F267 HydrophobicContact SD-CB 3.8Å; M242-F267 HydrophobicContact SD-CD1 4.46Å; M242-F267 HydrophobicContact SD-CD2 3.32Å; M242-F267 WeakPolarHBondContact SD-CD2 3.45Å; M242-F267 HydrophobicContact SD-CE2 3.96Å; M242-F267 HydrophobicContact SD-CG 3.61Å; A263-F267 WeakPolarHBondContact O-CA 3.27Å; A263-F267 WeakPolarHBondContact O-CB 3.35Å; A263-F267 PolarHBondContact O-N 3Å; F267-Y291 HydrophobicContact CB-CD1 4.26Å; F267-P346 VanDerWaalsContact C-CB 3.42Å; F267-P346 WeakPolarHBondContact O-CB 3.48Å; F267-V348 HydrophobicContact CD1-CB 3.9Å; F267-V348 HydrophobicContact CD1-CG1 3.9Å; F267-V348 HydrophobicContact CE1-CB 3.94Å; F267-V348 HydrophobicContact CE1-CG1 3.77Å; F267-V348 HydrophobicContact CE1-CG2 4.5Å
268S94.9Very high91.8Very high13 Ų1335.2 Ų35.29%0.09117%0.173CC..  trans-88.5130.9-177.4-169.20000113.6A263 H264 F290 P346A263-S268 PolarHBondContact O-N 3.5Å; A263-S268 VanDerWaalsContact O-N 3.17Å; H264-S268 PolarHBondContact CD2-OG 3.13Å; H264-S268 WeakPolarHBondContact O-CB 3.21Å; S268-F290 WeakPolarHBondContact CA-O 3.49Å; S268-P346 WeakPolarHBondContact O-CA 3.43Å; S268-P346 WeakPolarHBondContact O-CB 3.42Å
269G94.3Very high92.7Very high1 Ų135.9 Ų35.91%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-123.5177.5167.200000111.1P289 F290 Q344G269-P289 CarbonylContact O-C 3.57Å; G269-P289 VanDerWaalsContact O-CA 3.29Å; G269-P289 WeakPolarHBondContact O-CA 3.31Å; G269-F290 PolarHBondContact N-O 3.41Å; G269-F290 PolarHBondContact O-N 3.18Å; G269-Q344 CarbonylContact C-O 3.39Å; G269-Q344 VanDerWaalsContact CA-O 3.28Å; G269-Q344 WeakPolarHBondContact CA-O 3.45Å
270T95.4Very high93.3Very high27 Ų2737.3 Ų37.317%0.16618%0.179CC..EExtended strand (participates in β ladder)trans-127.2133.2172.258.20000110.7E288 F290 N343 Q344T270-E288 WeakPolarHBondContact CA-O 3.42Å; T270-F290 VanDerWaalsContact C-CE1 3.47Å; T270-N343 WeakPolarHBondContact O-CA 3.48Å; T270-N343 WeakPolarHBondContact O-CB 3.44Å; T270-N343 PolarHBondContact O-N 3.12Å; T270-N343 PolarHBondContact OG1-ND2 2.98Å; T270-N343 VanDerWaalsContact OG1-ND2 3.07Å; T270-Q344 PolarHBondContact N-O 3.06Å; T270-Q344 PolarHBondContact O-N 2.78Å; T270-Q344 VanDerWaalsContact OG1-CB 3.28Å; T270-Q344 WeakPolarHBondContact OG1-CB 3.41Å; T270-Q344 PolarHBondContact OG1-N 3.35Å
271C95.4Very high93.8Very high6 Ų632 Ų324%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-102.3152.6168.7730000109.8L287 E288 F290 T341 L342C271-L287 CarbonylContact O-C 3.54Å; C271-L287 WeakPolarHBondContact O-CA 3.33Å; C271-E288 PolarHBondContact N-O 3.42Å; C271-E288 PolarHBondContact O-N 2.96Å; C271-E288 PolarHBondContact SG-O 2.84Å; C271-F290 HydrophobicContact CB-CD1 4.04Å; C271-F290 HydrophobicContact CB-CE1 4.11Å; C271-T341 CarbonylContact C-O 3.5Å; C271-T341 VanDerWaalsContact CA-O 3.29Å; C271-T341 WeakPolarHBondContact CA-O 3.25Å; C271-L342 HydrophobicContact CB-CD2 4.35Å
272R96.1Very high94Very high76 Ų7632.4 Ų32.429%0.28718%0.177SC..EExtended strand (participates in β ladder)trans-111.1122175.1177.7-177.4177.6130.11.2108.9D274 S285 K286 L287 L340 T341 N343R272-D274 IonicContact CZ-OD1 2.81Å; R272-D274 IonicContact NE-OD1 3.11Å; R272-D274 PolarHBondContact NE-OD1 3.02Å; R272-D274 IonicContact NE-OD2 3.35Å; R272-D274 PolarHBondContact NE-OD2 3.16Å; R272-D274 IonicContact NH2-OD1 3.94Å; R272-D274 PolarHBondContact NH2-OD1 3.1Å; R272-S285 PolarHBondContact NH2-OG 2.86Å; R272-K286 WeakPolarHBondContact CA-O 3.44Å; R272-L287 HydrophobicContact CB-CD2 3.83Å; R272-L287 HydrophobicContact CG-CD2 4.18Å; R272-L340 CarbonylContact O-C 3.59Å; R272-L340 WeakPolarHBondContact O-CA 3.49Å; R272-T341 PolarHBondContact N-O 3.49Å; R272-T341 PolarHBondContact O-N 3.47Å; R272-T341 PolarHBondContact O-OG1 2.94Å; R272-N343 HydrophobicContact CB-CB 4.31Å
273S95.7Very high94.2Very high11 Ų1136.2 Ų36.28%0.07720%0.2CC..EExtended strand (participates in β ladder)trans-101.1110.9173.2-175.90000109.5S285 K286S273-S285 WeakPolarHBondContact O-CA 3.42Å; S273-K286 PolarHBondContact N-O 3.3Å; S273-K286 PolarHBondContact O-N 3.39Å
274D95.4Very high94.3Very high12 Ų1240 Ų406%0.06423%0.227CC..EExtended strand (participates in β ladder)trans-102.5126.4175.6-73.7-29.7000109.8R272 V283 S284 S285 K338 Q339 R386R272-D274 IonicContact CZ-OD1 2.81Å; R272-D274 IonicContact NE-OD1 3.11Å; R272-D274 PolarHBondContact NE-OD1 3.02Å; R272-D274 IonicContact NE-OD2 3.35Å; R272-D274 PolarHBondContact NE-OD2 3.16Å; R272-D274 IonicContact NH2-OD1 3.94Å; R272-D274 PolarHBondContact NH2-OD1 3.1Å; D274-V283 HydrophobicContact CB-CG1 4.45Å; D274-S284 CarbonylContact C-O 3.59Å; D274-S284 WeakPolarHBondContact CA-O 3.22Å; D274-S285 VanDerWaalsContact OD1-CB 3.24Å; D274-S285 WeakPolarHBondContact OD1-CB 3.48Å; D274-S285 PolarHBondContact OD1-OG 3.13Å; D274-K338 CarbonylContact O-C 3.43Å; D274-K338 VanDerWaalsContact O-CA 3.27Å; D274-K338 WeakPolarHBondContact O-CA 3.29Å; D274-Q339 PolarHBondContact N-O 2.93Å; D274-Q339 PolarHBondContact O-N 3.22Å; D274-R386 IonicContact OD2-NH1 3.52Å
275V95.5Very high94.4Very high33 Ų3341.5 Ų41.520%0.224%0.24CC..EExtended strand (participates in β ladder)trans-113.8118172.3179.70000108.7V283 S284 I325 R337 K338V275-V283 CarbonylContact O-C 3.57Å; V275-V283 WeakPolarHBondContact O-CA 3.34Å; V275-S284 PolarHBondContact N-O 3.39Å; V275-S284 PolarHBondContact O-N 2.85Å; V275-I325 HydrophobicContact CG1-CB 4.45Å; V275-I325 HydrophobicContact CG1-CD1 3.55Å; V275-I325 HydrophobicContact CG1-CG2 3.87Å; V275-R337 CarbonylContact C-O 3.48Å; V275-R337 WeakPolarHBondContact CA-O 3.4Å; V275-K338 HydrophobicContact CG2-CB 4.18Å; V275-K338 HydrophobicContact CG2-CD 4.14Å; V275-K338 HydrophobicContact CG2-CG 4.17Å
276V95.5Very high94.7Very high29 Ų2942.7 Ų42.718%0.17624%0.24CC..EExtended strand (participates in β ladder)trans-111.2124.8-177.8-172.20000109.6G282 V283 G336 R337V276-G282 WeakPolarHBondContact CA-O 3.43Å; V276-V283 HydrophobicContact CG1-CG2 4.45Å; V276-V283 HydrophobicContact CG2-CG1 4.38Å; V276-V283 HydrophobicContact CG2-CG2 4.15Å; V276-G336 CarbonylContact O-C 3.59Å; V276-G336 WeakPolarHBondContact O-CA 3.49Å; V276-R337 PolarHBondContact N-O 3.2Å; V276-R337 PolarHBondContact O-N 3.25Å
277C96.2Very high94.9Very high2 Ų247 Ų471%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-73.7126.7169.5177.50000110.1F279 C280 C281 G282 I325 C327C277-F279 PolarHBondContact O-N 3.3Å; C277-C280 VanDerWaalsContact SG-SG 3.65Å; C277-C281 WeakPolarHBondContact O-CA 3.46Å; C277-C281 PolarHBondContact O-N 3.49Å; C277-G282 PolarHBondContact N-O 2.98Å; C277-I325 HydrophobicContact CB-CD1 4.25Å; C277-C327 HydrophobicContact CB-CB 4.38Å; C277-C327 VanDerWaalsContact SG-SG 3.67Å
278D95.1Very high94.7Very high50 Ų5050.1 Ų50.127%0.26728%0.277SS..THydrogen-bonded Turntrans-72.5-16.1-177.8-78-22.1000113.2R335 R337D278-R335 PolarHBondContact N-O 3.04Å; D278-R335 VanDerWaalsContact N-O 3.16Å; D278-R335 WeakPolarHBondContact OD2-CG 3.35Å; D278-R335 IonicContact OD2-CZ 3.73Å; D278-R335 IonicContact OD2-NE 2.67Å; D278-R335 PolarHBondContact OD2-NE 2.55Å; D278-R335 VanDerWaalsContact OD2-NE 3.11Å; D278-R337 IonicContact OD1-CZ 3.27Å; D278-R337 IonicContact OD1-NE 3.37Å; D278-R337 PolarHBondContact OD1-NE 3.42Å; D278-R337 IonicContact OD1-NH2 2.73Å; D278-R337 PolarHBondContact OD1-NH2 3.46Å; D278-R337 VanDerWaalsContact OD1-NH2 3.09Å
279F94.5Very high94.7Very high143 Ų14353.5 Ų53.563%0.62730%0.299SS*.THydrogen-bonded Turntrans-90.1-54.4-179.4-172.6-96.2000113.1C277C277-F279 PolarHBondContact O-N 3.3Å
280C94.8Very high94.8Very high41 Ų4154.5 Ų54.528%0.27730%0.303SS..THydrogen-bonded Turntrans-99.7-1.3-176.470.90000113.9C277 G282 C327 C330C277-C280 VanDerWaalsContact SG-SG 3.65Å; C280-G282 PolarHBondContact O-N 3.06Å; C280-G282 PolarHBondContact SG-N 3.15Å; C280-G282 VanDerWaalsContact SG-N 3.44Å; C280-C327 PolarHBondContact SG-SG 3.01Å; C280-C330 VanDerWaalsContact SG-SG 3.66Å
281C94Very high94.8Very high91 Ų9154.6 Ų54.662%0.61530%0.3SS*.  trans5716.9-175.4-58.40000114.2C277 V283C277-C281 WeakPolarHBondContact O-CA 3.46Å; C277-C281 PolarHBondContact O-N 3.49Å; C281-V283 PolarHBondContact O-N 2.93Å
282G92.1Very high95Very high9 Ų955.2 Ų55.29%0.09330%0.303CS..  trans-63.9131.817400000110.5V276 C277 C280V276-G282 WeakPolarHBondContact CA-O 3.43Å; C277-G282 PolarHBondContact N-O 2.98Å; C280-G282 PolarHBondContact O-N 3.06Å; C280-G282 PolarHBondContact SG-N 3.15Å; C280-G282 VanDerWaalsContact SG-N 3.44Å
283V93Very high95.1Very high80 Ų8051.6 Ų51.649%0.48529%0.29SS..EExtended strand (participates in β ladder)trans-108130179.5-172.90000109.1D274 V275 V276 C281D274-V283 HydrophobicContact CB-CG1 4.45Å; V275-V283 CarbonylContact O-C 3.57Å; V275-V283 WeakPolarHBondContact O-CA 3.34Å; V276-V283 HydrophobicContact CG1-CG2 4.45Å; V276-V283 HydrophobicContact CG2-CG1 4.38Å; V276-V283 HydrophobicContact CG2-CG2 4.15Å; C281-V283 PolarHBondContact O-N 2.93Å
284S94Very high95.2Very high81 Ų8152.6 Ų52.657%0.56630%0.297SS*.EExtended strand (participates in β ladder)trans-110.2126.9165.2-175.10000108.1D274 V275D274-S284 CarbonylContact C-O 3.59Å; D274-S284 WeakPolarHBondContact CA-O 3.22Å; V275-S284 PolarHBondContact N-O 3.39Å; V275-S284 PolarHBondContact O-N 2.85Å
285S94.8Very high95.2Very high56 Ų5652 Ų5239%0.39229%0.294SS..EExtended strand (participates in β ladder)trans-122.5129.9-176.6-61.10000109.8R272 S273 D274R272-S285 PolarHBondContact NH2-OG 2.86Å; S273-S285 WeakPolarHBondContact O-CA 3.42Å; D274-S285 VanDerWaalsContact OD1-CB 3.24Å; D274-S285 WeakPolarHBondContact OD1-CB 3.48Å; D274-S285 PolarHBondContact OD1-OG 3.13Å
286K95Very high95.2Very high125 Ų12556 Ų5654%0.54331%0.31SS..EExtended strand (participates in β ladder)trans-125.4135.7175.7-171.9-178.8172.6-153.20109.7R272 S273 E288R272-K286 WeakPolarHBondContact CA-O 3.44Å; S273-K286 PolarHBondContact N-O 3.3Å; S273-K286 PolarHBondContact O-N 3.39Å; K286-E288 HydrophobicContact CD-CG 4.12Å; K286-E288 WeakPolarHBondContact CD-OE1 3.3Å; K286-E288 VanDerWaalsContact CE-OE1 3.3Å; K286-E288 WeakPolarHBondContact CE-OE1 3.49Å; K286-E288 HydrophobicContact CG-CG 4.11Å; K286-E288 IonicContact NZ-OE1 2.73Å; K286-E288 PolarHBondContact NZ-OE1 2.87Å
287L94.8Very high95Very high99 Ų9955 Ų5552%0.51830%0.304SS..EExtended strand (participates in β ladder)trans-94133.2169.3-64.2178.3000108.9C271 R272 N343C271-L287 CarbonylContact O-C 3.54Å; C271-L287 WeakPolarHBondContact O-CA 3.33Å; R272-L287 HydrophobicContact CB-CD2 3.83Å; R272-L287 HydrophobicContact CG-CD2 4.18Å; L287-N343 HydrophobicContact CD2-CB 4.04Å
288E93Very high94.5Very high68 Ų6856.6 Ų56.632%0.31832%0.315SS..EExtended strand (participates in β ladder)trans-129.1122.8179.6-59.9-176.2154.900109T270 C271 K286T270-E288 WeakPolarHBondContact CA-O 3.42Å; C271-E288 PolarHBondContact N-O 3.42Å; C271-E288 PolarHBondContact O-N 2.96Å; C271-E288 PolarHBondContact SG-O 2.84Å; K286-E288 HydrophobicContact CD-CG 4.12Å; K286-E288 WeakPolarHBondContact CD-OE1 3.3Å; K286-E288 VanDerWaalsContact CE-OE1 3.3Å; K286-E288 WeakPolarHBondContact CE-OE1 3.49Å; K286-E288 HydrophobicContact CG-CG 4.11Å; K286-E288 IonicContact NZ-OE1 2.73Å; K286-E288 PolarHBondContact NZ-OE1 2.87Å
289P94.2Very high93.6Very high83 Ų8359 Ų5954%0.53933%0.328SS..EExtended strand (participates in β ladder)trans-71153.5174.930.8-34000110.7G269G269-P289 CarbonylContact O-C 3.57Å; G269-P289 VanDerWaalsContact O-CA 3.29Å; G269-P289 WeakPolarHBondContact O-CA 3.31Å
290F95.9Very high92.8Very high23 Ų2355.1 Ų55.110%0.10132%0.318CS..EExtended strand (participates in β ladder)trans-147148.1175.666.9-100.8000111.8S268 G269 T270 C271 I293 L342 P346S268-F290 WeakPolarHBondContact CA-O 3.49Å; G269-F290 PolarHBondContact N-O 3.41Å; G269-F290 PolarHBondContact O-N 3.18Å; T270-F290 VanDerWaalsContact C-CE1 3.47Å; C271-F290 HydrophobicContact CB-CD1 4.04Å; C271-F290 HydrophobicContact CB-CE1 4.11Å; F290-I293 HydrophobicContact CD2-CG1 4.04Å; F290-I293 HydrophobicContact CE2-CD1 4.02Å; F290-I293 HydrophobicContact CE2-CG1 3.78Å; F290-I293 HydrophobicContact CZ-CD1 4.03Å; F290-I293 HydrophobicContact CZ-CG1 4.12Å; F290-L342 HydrophobicContact CE1-CD2 4.08Å; F290-L342 HydrophobicContact CZ-CD2 4.24Å; F290-P346 HydrophobicContact CE2-CG 4.33Å
291Y97Very high91.9Very high28 Ų2859.6 Ų59.611%0.1135%0.347CS..SBendtrans-99.2-12.9167.5-65.1-57000113.5Y238 M242 D243 A263 F267Y238-Y291 PolarHBondContact OH-O 3.37Å; Y238-Y291 VanDerWaalsContact OH-O 3.06Å; M242-Y291 HydrophobicContact CB-CD1 3.95Å; M242-Y291 HydrophobicContact CB-CD2 3.57Å; M242-Y291 HydrophobicContact CB-CE1 4.1Å; M242-Y291 HydrophobicContact CB-CE2 3.73Å; M242-Y291 HydrophobicContact CB-CG 3.69Å; M242-Y291 HydrophobicContact CG-CD1 4.12Å; M242-Y291 HydrophobicContact CG-CD2 4.24Å; M242-Y291 HydrophobicContact CG-CG 3.88Å; D243-Y291 WeakPolarHBondContact OD1-CE2 3.32Å; A263-Y291 HydrophobicContact CB-CE1 3.97Å; F267-Y291 HydrophobicContact CB-CD1 4.26Å
292N98Very high91.5Very high19 Ų1958.1 Ų58.110%0.10235%0.347CS..  trans-153.2163.1175.887.9-83.2000111H235 Y238 L239 S294 C350 H352H235-N292 PolarHBondContact NE2-ND2 3.4Å; H235-N292 VanDerWaalsContact NE2-ND2 3.19Å; H235-N292 PolarHBondContact NE2-OD1 2.84Å; Y238-N292 HydrophobicContact CE1-CB 4.21Å; L239-N292 WeakPolarHBondContact CD2-OD1 3.48Å; N292-S294 PolarHBondContact ND2-N 3.11Å; N292-S294 PolarHBondContact ND2-OG 2.61Å; N292-C350 CarbonylContact C-O 3.46Å; N292-C350 WeakPolarHBondContact CA-O 3.42Å; N292-C350 HydrophobicContact CB-CB 3.89Å; N292-C350 WeakPolarHBondContact CB-O 3.27Å; N292-H352 WeakPolarHBondContact ND2-CB 3.38Å
293I98Very high91.4Very high0 Ų063.1 Ų63.10%038%0.381CS..EExtended strand (participates in β ladder)trans-111.3111.1170.6-60.8166.7000108.1F290 L295 Y313 L342 V349 C350 F351 H352 M378F290-I293 HydrophobicContact CD2-CG1 4.04Å; F290-I293 HydrophobicContact CE2-CD1 4.02Å; F290-I293 HydrophobicContact CE2-CG1 3.78Å; F290-I293 HydrophobicContact CZ-CD1 4.03Å; F290-I293 HydrophobicContact CZ-CG1 4.12Å; I293-L295 HydrophobicContact CG2-CD2 3.62Å; I293-L295 HydrophobicContact CG2-CG 4.1Å; I293-Y313 HydrophobicContact CG2-CD1 4.15Å; I293-Y313 HydrophobicContact CG2-CD2 4.14Å; I293-Y313 HydrophobicContact CG2-CE1 3.93Å; I293-Y313 HydrophobicContact CG2-CE2 3.92Å; I293-Y313 HydrophobicContact CG2-CG 4.26Å; I293-L342 HydrophobicContact CD1-CD1 4.09Å; I293-L342 HydrophobicContact CD1-CD2 3.86Å; I293-V349 HydrophobicContact CD1-CG1 4.35Å; I293-C350 PolarHBondContact N-O 3.48Å; I293-F351 HydrophobicContact CB-CD1 3.81Å; I293-F351 HydrophobicContact CB-CE1 4.02Å; I293-F351 HydrophobicContact CD1-CD1 4.37Å; I293-F351 HydrophobicContact CD1-CE1 3.71Å; I293-F351 HydrophobicContact CG1-CE1 4.41Å; I293-F351 HydrophobicContact CG2-CD1 4.21Å; I293-F351 HydrophobicContact CG2-CE1 4.34Å; I293-F351 WeakPolarHBondContact O-CA 3.32Å; I293-H352 PolarHBondContact O-N 3.3Å; I293-M378 HydrophobicContact CD1-CE 4.43Å
294S97.7Very high91.4Very high32 Ų3259.6 Ų59.622%0.22436%0.359CS..EExtended strand (participates in β ladder)trans-88.4109179.3-63.40000110.6N292 H352 K354N292-S294 PolarHBondContact ND2-N 3.11Å; N292-S294 PolarHBondContact ND2-OG 2.61Å; S294-H352 CarbonylContact C-O 3.58Å; S294-H352 WeakPolarHBondContact CA-O 3.47Å; S294-H352 PolarHBondContact OG-ND1 2.95Å; S294-K354 VanDerWaalsContact CB-CE 3.5Å
295L97.3Very high91.5Very high0 Ų056.7 Ų56.70%034%0.338CS..EExtended strand (participates in β ladder)trans-100.4136.2-171.5-62.4174.4000112I293 L306 C309 L310 Y313 F351 H352 L353 K354I293-L295 HydrophobicContact CG2-CD2 3.62Å; I293-L295 HydrophobicContact CG2-CG 4.1Å; L295-L306 HydrophobicContact CD1-CD1 3.46Å; L295-L306 VanDerWaalsContact CD1-CD1 3.46Å; L295-C309 HydrophobicContact CB-CB 4.09Å; L295-C309 HydrophobicContact CD1-CB 3.98Å; L295-C309 HydrophobicContact CG-CB 4.44Å; L295-L310 HydrophobicContact CD1-CD2 4.27Å; L295-L310 HydrophobicContact CD1-CG 4.29Å; L295-L310 HydrophobicContact CD2-CD2 3.97Å; L295-L310 HydrophobicContact CD2-CG 4.46Å; L295-Y313 HydrophobicContact CD2-CD2 4Å; L295-Y313 HydrophobicContact CD2-CG 3.88Å; L295-F351 HydrophobicContact CD1-CB 4.27Å; L295-F351 HydrophobicContact CD1-CD1 3.76Å; L295-F351 HydrophobicContact CD1-CG 4.25Å; L295-F351 HydrophobicContact CG-CD1 4.35Å; L295-H352 PolarHBondContact N-O 3.44Å; L295-L353 HydrophobicContact CB-CD2 4.08Å; L295-L353 HydrophobicContact CD1-CD2 4.17Å; L295-K354 WeakPolarHBondContact O-CB 3.47Å; L295-K354 PolarHBondContact O-N 3.44Å
296E93.9Very high91.6Very high117 Ų11754 Ų5455%0.54732%0.32SS..EExtended strand (participates in β ladder)trans-76.9127.4174.6-66-174.4175.200111.5K354E296-K354 HydrophobicContact CG-CD 4.26Å
297V92.5Very high91.7Very high9 Ų950.4 Ų50.46%0.05531%0.308CS..  trans-95.7108.3172.8-1750000108.2I304 L353 I366 V370V297-I304 HydrophobicContact CG1-CD1 4.42Å; V297-L353 HydrophobicContact CG2-CB 3.9Å; V297-L353 HydrophobicContact CG2-CD2 4.33Å; V297-I366 HydrophobicContact CB-CG2 4.4Å; V297-I366 HydrophobicContact CG1-CG2 3.85Å; V297-I366 WeakPolarHBondContact O-CD1 3.43Å; V297-V370 HydrophobicContact CG1-CG2 3.74Å; V297-V370 HydrophobicContact CG2-CG2 4.15Å
298C84.2Confident91.7Very high35 Ų3548.8 Ų48.824%0.23630%0.3CS..  trans-70.8143.7174.1-67.90000110.8I304 R312 R368C298-I304 HydrophobicContact CB-CD1 4.48Å; C298-R312 PolarHBondContact SG-NE 3.18Å; C298-R312 PolarHBondContact SG-NH1 2.89Å; C298-R312 VanDerWaalsContact SG-NH1 3.4Å; C298-R368 WeakPolarHBondContact O-CD 3.5Å; C298-R368 PolarHBondContact O-NH1 3.07Å
299D77.3Confident91.9Very high101 Ų10145.6 Ų45.654%0.5429%0.286SS..  trans-99.224.9177.6-158.630.1000112.8
300S77.8Confident92Very high61 Ų6141.7 Ų41.743%0.42726%0.26SS..  trans-75.4152.1178.451.90000112.8G302 R368S300-G302 PolarHBondContact O-N 2.63Å; S300-R368 PolarHBondContact O-NH1 2.82Å; S300-R368 PolarHBondContact O-NH2 3.45Å; S300-R368 PolarHBondContact OG-NH1 3.39Å
301P76.4Confident92Very high135 Ų13544.5 Ų44.588%0.87728%0.276SS*.SBendtrans-60.1139.2175.920.4-29000112.3
302G84.1Confident91.9Very high60 Ų6047.3 Ų47.362%0.61929%0.287SS*.SBendtrans131.8-178.8177.700000114S300 R368S300-G302 PolarHBondContact O-N 2.63Å; G302-R368 PolarHBondContact O-NH2 2.76Å
303S89.6Confident91.8Very high114 Ų11449 Ų4980%0.79729%0.292SS*.  trans-79.4146.2163.752.70000110
304I94.4Very high91.7Very high6 Ų649.9 Ų49.93%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-126.8140.9170.9-171.9170.4000108.8V297 C298 D308 R368 F369 V370 S371V297-I304 HydrophobicContact CG1-CD1 4.42Å; C298-I304 HydrophobicContact CB-CD1 4.48Å; I304-D308 HydrophobicContact CG1-CB 4.22Å; I304-R368 HydrophobicContact CG2-CG 4.13Å; I304-R368 VanDerWaalsContact CG2-NE 3.32Å; I304-F369 VanDerWaalsContact CG2-O 3.32Å; I304-F369 WeakPolarHBondContact CG2-O 3.47Å; I304-V370 HydrophobicContact CG2-CB 4.29Å; I304-V370 HydrophobicContact CG2-CG1 4.44Å; I304-V370 HydrophobicContact CG2-CG2 3.85Å; I304-S371 PolarHBondContact O-N 3.19Å; I304-S371 PolarHBondContact O-OG 3.45Å; I304-S371 VanDerWaalsContact O-OG 3.09Å
305S96Very high91.6Very high19 Ų1954 Ų5413%0.13332%0.315CS..EExtended strand (participates in β ladder)trans-118.2161.4177.266.90000111.8T307 D308 C309 S371S305-T307 PolarHBondContact O-N 2.97Å; S305-T307 PolarHBondContact OG-OG1 3.05Å; S305-D308 WeakPolarHBondContact CB-OD2 3.47Å; S305-D308 PolarHBondContact N-OD2 3.46Å; S305-D308 WeakPolarHBondContact O-CB 3.46Å; S305-D308 PolarHBondContact O-N 3.41Å; S305-D308 VanDerWaalsContact O-N 3.16Å; S305-D308 PolarHBondContact OG-N 3.27Å; S305-D308 VanDerWaalsContact OG-N 3.08Å; S305-D308 PolarHBondContact OG-OD1 3.41Å; S305-D308 PolarHBondContact OG-OD2 3.37Å; S305-C309 PolarHBondContact O-N 3.35Å; S305-C309 VanDerWaalsContact O-N 3.11Å; S305-C309 PolarHBondContact O-SG 3.31Å; S305-C309 VanDerWaalsContact O-SG 3.4Å; S305-S371 CarbonylContact C-O 3.52Å; S305-S371 WeakPolarHBondContact CA-O 3.45Å; S305-S371 VanDerWaalsContact CA-OG 3.31Å; S305-S371 WeakPolarHBondContact CA-OG 3.32Å; S305-S371 VanDerWaalsContact CB-OG 3.27Å; S305-S371 WeakPolarHBondContact CB-OG 3.27Å
306L97.3Very high91.4Very high0 Ų057 Ų570%033%0.333CS..Hα-helixtrans-58.5-36.3172.4-178.565.6000110.9L295 C309 L310 F351 L353 S371 F372 L376 L459 Y461L295-L306 HydrophobicContact CD1-CD1 3.46Å; L295-L306 VanDerWaalsContact CD1-CD1 3.46Å; L306-C309 WeakPolarHBondContact O-CB 3.41Å; L306-C309 PolarHBondContact O-N 3.39Å; L306-L310 HydrophobicContact CG-CD1 4.24Å; L306-L310 WeakPolarHBondContact O-CG 3.47Å; L306-L310 PolarHBondContact O-N 3.39Å; L306-F351 HydrophobicContact CD1-CB 4.43Å; L306-F351 HydrophobicContact CD1-CD2 4.47Å; L306-F351 HydrophobicContact CD1-CG 4.28Å; L306-F351 HydrophobicContact CD2-CD2 4.19Å; L306-F351 HydrophobicContact CD2-CE2 4.31Å; L306-L353 HydrophobicContact CD1-CD2 4.3Å; L306-S371 PolarHBondContact N-O 3.43Å; L306-F372 HydrophobicContact CB-CB 4.02Å; L306-F372 HydrophobicContact CD2-CB 4.13Å; L306-L376 HydrophobicContact CD2-CD1 4.5Å; L306-L376 HydrophobicContact CD2-CD2 4.04Å; L306-L459 HydrophobicContact CD1-CD1 3.92Å; L306-L459 HydrophobicContact CD2-CD1 4.01Å; L306-Y461 HydrophobicContact CD2-CE2 3.9Å; L306-Y461 WeakPolarHBondContact CD2-OH 3.44Å
307T96.4Very high91.5Very high50 Ų5055.6 Ų55.631%0.30733%0.327SS..Hα-helixtrans-65.1-42.7174.943.60000111.3S305 C309 L310 D311 L376S305-T307 PolarHBondContact O-N 2.97Å; S305-T307 PolarHBondContact OG-OG1 3.05Å; T307-C309 PolarHBondContact O-N 3.44Å; T307-L310 PolarHBondContact O-N 2.88Å; T307-D311 PolarHBondContact O-N 3.36Å; T307-L376 HydrophobicContact CG2-CD1 4.2Å
308D95.7Very high91.6Very high64 Ų6458.1 Ų58.134%0.34234%0.343SS..Hα-helixtrans-60.5-35.2174.4-57.2-44.2000112I304 S305 R312I304-D308 HydrophobicContact CG1-CB 4.22Å; S305-D308 WeakPolarHBondContact CB-OD2 3.47Å; S305-D308 PolarHBondContact N-OD2 3.46Å; S305-D308 WeakPolarHBondContact O-CB 3.46Å; S305-D308 PolarHBondContact O-N 3.41Å; S305-D308 VanDerWaalsContact O-N 3.16Å; S305-D308 PolarHBondContact OG-N 3.27Å; S305-D308 VanDerWaalsContact OG-N 3.08Å; S305-D308 PolarHBondContact OG-OD1 3.41Å; S305-D308 PolarHBondContact OG-OD2 3.37Å; D308-R312 PolarHBondContact O-N 2.87Å; D308-R312 VanDerWaalsContact O-N 3.13Å
309C96.8Very high92.1Very high2 Ų257.6 Ų57.61%0.01434%0.338CS..Hα-helixtrans-68.5-39.2175.4-65.70000112.1L295 S305 L306 T307 R312 Y313L295-C309 HydrophobicContact CB-CB 4.09Å; L295-C309 HydrophobicContact CD1-CB 3.98Å; L295-C309 HydrophobicContact CG-CB 4.44Å; S305-C309 PolarHBondContact O-N 3.35Å; S305-C309 VanDerWaalsContact O-N 3.11Å; S305-C309 PolarHBondContact O-SG 3.31Å; S305-C309 VanDerWaalsContact O-SG 3.4Å; L306-C309 WeakPolarHBondContact O-CB 3.41Å; L306-C309 PolarHBondContact O-N 3.39Å; T307-C309 PolarHBondContact O-N 3.44Å; C309-R312 PolarHBondContact O-N 3.04Å; C309-Y313 WeakPolarHBondContact O-CB 3.26Å; C309-Y313 PolarHBondContact O-N 3.39Å
310L96.7Very high92.8Very high0 Ų056.7 Ų56.70%033%0.333CS..Hα-helixtrans-71.2-38.8177.1-73.4164.6000112.4L295 L306 T307 R312 Y313 T314 F351 L376 M378 Y381L295-L310 HydrophobicContact CD1-CD2 4.27Å; L295-L310 HydrophobicContact CD1-CG 4.29Å; L295-L310 HydrophobicContact CD2-CD2 3.97Å; L295-L310 HydrophobicContact CD2-CG 4.46Å; L306-L310 HydrophobicContact CG-CD1 4.24Å; L306-L310 WeakPolarHBondContact O-CG 3.47Å; L306-L310 PolarHBondContact O-N 3.39Å; T307-L310 PolarHBondContact O-N 2.88Å; L310-R312 VanDerWaalsContact C-N 3.31Å; L310-R312 PolarHBondContact O-N 3.05Å; L310-Y313 PolarHBondContact O-N 3.33Å; L310-T314 PolarHBondContact O-N 3.48Å; L310-T314 PolarHBondContact O-OG1 3.42Å; L310-F351 HydrophobicContact CD1-CE1 4.39Å; L310-F351 HydrophobicContact CD1-CZ 4.28Å; L310-F351 HydrophobicContact CD2-CD1 4.33Å; L310-F351 HydrophobicContact CD2-CE1 3.61Å; L310-F351 HydrophobicContact CD2-CZ 4.23Å; L310-F351 HydrophobicContact CG-CE1 4.46Å; L310-L376 HydrophobicContact CD1-CD1 4.27Å; L310-L376 HydrophobicContact CD1-CD2 4.37Å; L310-M378 HydrophobicContact CD1-SD 4.16Å; L310-Y381 HydrophobicContact CB-CD1 4.03Å; L310-Y381 HydrophobicContact CB-CD2 4.4Å; L310-Y381 HydrophobicContact CB-CE1 3.47Å; L310-Y381 VanDerWaalsContact CB-CE1 3.47Å; L310-Y381 HydrophobicContact CB-CE2 3.92Å; L310-Y381 HydrophobicContact CB-CG 4.45Å; L310-Y381 VanDerWaalsContact CB-CZ 3.41Å; L310-Y381 HydrophobicContact CD1-CD2 4.34Å; L310-Y381 HydrophobicContact CD1-CE2 3.73Å; L310-Y381 HydrophobicContact CG-CE2 4.36Å
311D95.3Very high93.5Very high83 Ų8356 Ų5644%0.44433%0.334SS..Hα-helixtrans-57.6-47.5172.2-73.4-31.8000110T307 T314 M315 Y381T307-D311 PolarHBondContact O-N 3.36Å; D311-T314 CarbonylContact O-C 3.45Å; D311-T314 PolarHBondContact O-N 3.26Å; D311-T314 PolarHBondContact O-OG1 3.37Å; D311-M315 WeakPolarHBondContact O-CB 3.4Å; D311-M315 PolarHBondContact O-N 2.84Å; D311-Y381 WeakPolarHBondContact OD1-CE1 3.41Å
312R94.9Very high94.2Very high86 Ų8656 Ų5633%0.32533%0.334SS..Hα-helixtrans-63.6-42.6175.5-172.8176-61.1100.28.8112.4C298 D308 C309 L310 T314 M315C298-R312 PolarHBondContact SG-NE 3.18Å; C298-R312 PolarHBondContact SG-NH1 2.89Å; C298-R312 VanDerWaalsContact SG-NH1 3.4Å; D308-R312 PolarHBondContact O-N 2.87Å; D308-R312 VanDerWaalsContact O-N 3.13Å; C309-R312 PolarHBondContact O-N 3.04Å; L310-R312 VanDerWaalsContact C-N 3.31Å; L310-R312 PolarHBondContact O-N 3.05Å; R312-T314 PolarHBondContact O-N 2.8Å; R312-M315 WeakPolarHBondContact O-CB 3.19Å; R312-M315 PolarHBondContact O-N 2.88Å
313Y95.9Very high94.6Very high56 Ų5656.6 Ų56.622%0.2233%0.329CS..Hα-helixtrans-59.6-33.5178.8-179-95.3000112.4I293 L295 C309 L310 L340 L342I293-Y313 HydrophobicContact CG2-CD1 4.15Å; I293-Y313 HydrophobicContact CG2-CD2 4.14Å; I293-Y313 HydrophobicContact CG2-CE1 3.93Å; I293-Y313 HydrophobicContact CG2-CE2 3.92Å; I293-Y313 HydrophobicContact CG2-CG 4.26Å; L295-Y313 HydrophobicContact CD2-CD2 4Å; L295-Y313 HydrophobicContact CD2-CG 3.88Å; C309-Y313 WeakPolarHBondContact O-CB 3.26Å; C309-Y313 PolarHBondContact O-N 3.39Å; L310-Y313 PolarHBondContact O-N 3.33Å; Y313-L340 HydrophobicContact CE1-CB 4.34Å; Y313-L340 HydrophobicContact CE1-CD1 4.33Å; Y313-L340 HydrophobicContact CE2-CD1 4.13Å; Y313-L342 HydrophobicContact CE1-CD2 4.46Å
314T96Very high94.7Very high17 Ų1755 Ų5510%0.10431%0.309CS..Hα-helixtrans-100.21.9179.958.50000114.3L310 D311 R312 Q339 L340 Y381L310-T314 PolarHBondContact O-N 3.48Å; L310-T314 PolarHBondContact O-OG1 3.42Å; D311-T314 CarbonylContact O-C 3.45Å; D311-T314 PolarHBondContact O-N 3.26Å; D311-T314 PolarHBondContact O-OG1 3.37Å; R312-T314 PolarHBondContact O-N 2.8Å; T314-Q339 VanDerWaalsContact O-CG 3.29Å; T314-Q339 WeakPolarHBondContact O-CG 3.36Å; T314-Q339 PolarHBondContact O-NE2 3.03Å; T314-L340 WeakPolarHBondContact CA-O 3.44Å; T314-L340 WeakPolarHBondContact CB-O 3.42Å; T314-Y381 HydrophobicContact CG2-CD1 4.06Å; T314-Y381 HydrophobicContact CG2-CG 4.45Å
315M94.8Very high94.6Very high120 Ų12056 Ų5659%0.59132%0.315SS*.SBendtrans-70.5137.5178.8-168.4171.270.400110.5D311 R312 E317D311-M315 WeakPolarHBondContact O-CB 3.4Å; D311-M315 PolarHBondContact O-N 2.84Å; R312-M315 WeakPolarHBondContact O-CB 3.19Å; R312-M315 PolarHBondContact O-N 2.88Å; M315-E317 PolarHBondContact O-N 3.35Å
316P94.4Very high94.5Very high61 Ų6160.9 Ų60.940%0.39634%0.335SS..PPolyproline II helixtrans-61.7123.7172.8-19.929.5000112K338 Q339P316-K338 CarbonylContact C-O 3.58Å; P316-K338 WeakPolarHBondContact CA-O 3.37Å; P316-Q339 HydrophobicContact CB-CB 4.41Å; P316-Q339 HydrophobicContact CG-CB 4.5Å; P316-Q339 HydrophobicContact CG-CG 4.14Å
317E94.3Very high94.3Very high88 Ų8861.3 Ų61.341%0.41134%0.338SS..EExtended strand (participates in β ladder)trans-91.3136.7170.164.9-177.8161.900110.2M315 L319 R337 K338M315-E317 PolarHBondContact O-N 3.35Å; E317-L319 HydrophobicContact CG-CD2 4.3Å; E317-R337 CarbonylContact O-C 3.37Å; E317-R337 VanDerWaalsContact O-CA 3.24Å; E317-R337 WeakPolarHBondContact O-CA 3.43Å; E317-K338 HydrophobicContact CG-CB 3.7Å; E317-K338 HydrophobicContact CG-CG 4.22Å; E317-K338 WeakPolarHBondContact CG-O 3.47Å; E317-K338 PolarHBondContact N-O 3.28Å; E317-K338 PolarHBondContact O-N 2.94Å; E317-K338 WeakPolarHBondContact OE1-CD 3.46Å; E317-K338 WeakPolarHBondContact OE1-CE 3.18Å; E317-K338 VanDerWaalsContact OE1-CG 3.26Å; E317-K338 WeakPolarHBondContact OE1-CG 3.31Å; E317-K338 IonicContact OE1-NZ 3.51Å; E317-K338 PolarHBondContact OE1-NZ 3.06Å
318T96.1Very high94.1Very high63 Ų6363.8 Ų63.839%0.38736%0.357SS..EExtended strand (participates in β ladder)trans-84.9127.5172.8-62.90000108.9D320 R335T318-D320 HydrophobicContact CG2-CB 4.23Å; T318-R335 HydrophobicContact CG2-CG 4.18Å
319L93.8Very high94Very high24 Ų2469.4 Ų69.413%0.12637%0.374CS..EExtended strand (participates in β ladder)trans-101.497.4176.9-64.6-177000108.6E317 S323 I325 R335 G336 K338E317-L319 HydrophobicContact CG-CD2 4.3Å; L319-S323 WeakPolarHBondContact CB-O 3.39Å; L319-I325 HydrophobicContact CB-CG2 4.13Å; L319-I325 HydrophobicContact CD1-CG2 3.39Å; L319-I325 HydrophobicContact CG-CG2 4.43Å; L319-R335 VanDerWaalsContact O-CA 3.31Å; L319-R335 WeakPolarHBondContact O-CA 3.38Å; L319-G336 PolarHBondContact N-O 3.2Å; L319-G336 PolarHBondContact O-N 2.94Å; L319-K338 HydrophobicContact CD1-CB 3.67Å; L319-K338 HydrophobicContact CD1-CD 4.48Å; L319-K338 HydrophobicContact CG-CB 4.1Å
320D91.6Very high93.9Very high82 Ų8270.8 Ų70.844%0.43938%0.383SS..  trans-134.2-178.4-179.267.43.1000112.2T318 S323 R335T318-D320 HydrophobicContact CG2-CB 4.23Å; D320-S323 WeakPolarHBondContact O-CA 3.5Å; D320-S323 PolarHBondContact O-N 3.05Å; D320-R335 HydrophobicContact CB-CG 4.15Å
321G92.1Very high93.7Very high45 Ų4576.8 Ų76.846%0.46442%0.415SS..G310 helixtrans49.5-120.6-177.900000113S323 Q324G321-S323 PolarHBondContact O-N 3.46Å; G321-Q324 VanDerWaalsContact O-CG 3.31Å; G321-Q324 WeakPolarHBondContact O-CG 3.4Å
322P91.5Very high93.7Very high135 Ų13574.9 Ų74.988%0.87741%0.408SS*.G310 helixtrans-71.3-14.7179.531.9-35.5000113.9
323S92.4Very high93.7Very high73 Ų7375.6 Ų75.651%0.5142%0.418SS..G310 helixtrans-100.112.7-178-57.90000113L319 D320 G321L319-S323 WeakPolarHBondContact CB-O 3.39Å; D320-S323 WeakPolarHBondContact O-CA 3.5Å; D320-S323 PolarHBondContact O-N 3.05Å; G321-S323 PolarHBondContact O-N 3.46Å
324Q91.9Very high93.6Very high81 Ų8176.8 Ų76.838%0.37942%0.421SS..  trans-54.3145.9176.5-79.3-179.6-21.700112.5G321 L333G321-Q324 VanDerWaalsContact O-CG 3.31Å; G321-Q324 WeakPolarHBondContact O-CG 3.4Å; Q324-L333 HydrophobicContact CB-CB 4.35Å; Q324-L333 HydrophobicContact CB-CD2 4.45Å
325I92.9Very high93.6Very high28 Ų2882.1 Ų82.114%0.14444%0.44CS..EExtended strand (participates in β ladder)trans-90.8141.9179.663.2169.6000110.8V275 C277 L319 C327 L333 R334V275-I325 HydrophobicContact CG1-CB 4.45Å; V275-I325 HydrophobicContact CG1-CD1 3.55Å; V275-I325 HydrophobicContact CG1-CG2 3.87Å; C277-I325 HydrophobicContact CB-CD1 4.25Å; L319-I325 HydrophobicContact CB-CG2 4.13Å; L319-I325 HydrophobicContact CD1-CG2 3.39Å; L319-I325 HydrophobicContact CG-CG2 4.43Å; I325-C327 PolarHBondContact O-N 3.27Å; I325-L333 CarbonylContact O-C 3.48Å; I325-L333 WeakPolarHBondContact O-CA 3.2Å; I325-R334 WeakPolarHBondContact CG1-O 3.05Å; I325-R334 PolarHBondContact N-O 3.47Å; I325-R334 PolarHBondContact O-N 3.04Å
326H93.5Very high93.6Very high120 Ų12076.4 Ų76.456%0.55641%0.412SS*.EExtended strand (participates in β ladder)trans-79.6105.3167.4-171.2-80.8000109.7S328 L333H326-S328 PolarHBondContact O-N 3.33Å; H326-L333 HydrophobicContact CB-CD2 4.23Å
327C94.1Very high93.7Very high9 Ų979.1 Ų79.16%0.06141%0.414CS..EExtended strand (participates in β ladder)trans-82.8117.1-178.6179.90000110.7C277 C280 I325 R329 C330 N331 C332 R334C277-C327 HydrophobicContact CB-CB 4.38Å; C277-C327 VanDerWaalsContact SG-SG 3.67Å; C280-C327 PolarHBondContact SG-SG 3.01Å; I325-C327 PolarHBondContact O-N 3.27Å; C327-R329 VanDerWaalsContact C-N 3.31Å; C327-R329 PolarHBondContact O-N 3.12Å; C327-C330 HydrophobicContact CB-CB 3.96Å; C327-C330 PolarHBondContact O-N 2.85Å; C327-C330 PolarHBondContact SG-N 3Å; C327-C330 VanDerWaalsContact SG-SG 3.65Å; C327-N331 VanDerWaalsContact O-CA 3.29Å; C327-N331 WeakPolarHBondContact O-CA 3.24Å; C327-N331 PolarHBondContact O-N 3.2Å; C327-C332 PolarHBondContact N-O 3.45Å; C327-R334 HydrophobicContact CB-CB 4.28Å; C327-R334 HydrophobicContact CB-CG 3.98Å
328S92Very high93.8Very high102 Ų10278 Ų7871%0.71341%0.408SS*.THydrogen-bonded Turntrans-62.3-32.4178.754.80000114H326H326-S328 PolarHBondContact O-N 3.33Å
329R93.2Very high93.7Very high182 Ų18276.6 Ų76.669%0.68740%0.397SS*.THydrogen-bonded Turntrans-76.8-36.6177.5-64-175.3-174.6-177.50.2113.2C327C327-R329 VanDerWaalsContact C-N 3.31Å; C327-R329 PolarHBondContact O-N 3.12Å
330C93.8Very high93.9Very high31 Ų3177 Ų7721%0.20940%0.399CS..THydrogen-bonded Turntrans-85.5-16.1176.7-60.60000112.7C280 C327 C332 R334C280-C330 VanDerWaalsContact SG-SG 3.66Å; C327-C330 HydrophobicContact CB-CB 3.96Å; C327-C330 PolarHBondContact O-N 2.85Å; C327-C330 PolarHBondContact SG-N 3Å; C327-C330 VanDerWaalsContact SG-SG 3.65Å; C330-C332 VanDerWaalsContact C-N 3.27Å; C330-C332 PolarHBondContact O-N 3.34Å; C330-C332 PolarHBondContact O-SG 3.41Å; C330-C332 VanDerWaalsContact O-SG 3.4Å; C330-R334 HydrophobicContact CB-CG 4.13Å
331N93.8Very high94.1Very high127 Ų12773.5 Ų73.568%0.67938%0.381SS*.THydrogen-bonded Turntrans52.239.8-174-15938.3000114C327C327-N331 VanDerWaalsContact O-CA 3.29Å; C327-N331 WeakPolarHBondContact O-CA 3.24Å; C327-N331 PolarHBondContact O-N 3.2Å
332C93.9Very high94.2Very high42 Ų4271.4 Ų71.428%0.28436%0.359SS..EExtended strand (participates in β ladder)trans-161.4169.717756.60000111.8C327 C330 R334C327-C332 PolarHBondContact N-O 3.45Å; C330-C332 VanDerWaalsContact C-N 3.27Å; C330-C332 PolarHBondContact O-N 3.34Å; C330-C332 PolarHBondContact O-SG 3.41Å; C330-C332 VanDerWaalsContact O-SG 3.4Å; C332-R334 PolarHBondContact O-N 3.33Å; C332-R334 PolarHBondContact SG-NE 3.46Å; C332-R334 PolarHBondContact SG-NH2 3.23Å; C332-R334 VanDerWaalsContact SG-NH2 3.44Å
333L95.1Very high94.3Very high102 Ų10267.4 Ų67.453%0.53433%0.33SS..EExtended strand (participates in β ladder)trans-65.6130.3173.6-69.7173.6000110.8Q324 I325 H326Q324-L333 HydrophobicContact CB-CB 4.35Å; Q324-L333 HydrophobicContact CB-CD2 4.45Å; I325-L333 CarbonylContact O-C 3.48Å; I325-L333 WeakPolarHBondContact O-CA 3.2Å; H326-L333 HydrophobicContact CB-CD2 4.23Å
334R94.5Very high94.3Very high80 Ų8069.2 Ų69.230%0.30233%0.33SS..EExtended strand (participates in β ladder)trans-136.6150.6-179.2-65.9-64.3179.5172.80.1110.1I325 C327 C330 C332I325-R334 WeakPolarHBondContact CG1-O 3.05Å; I325-R334 PolarHBondContact N-O 3.47Å; I325-R334 PolarHBondContact O-N 3.04Å; C327-R334 HydrophobicContact CB-CB 4.28Å; C327-R334 HydrophobicContact CB-CG 3.98Å; C330-R334 HydrophobicContact CB-CG 4.13Å; C332-R334 PolarHBondContact O-N 3.33Å; C332-R334 PolarHBondContact SG-NE 3.46Å; C332-R334 PolarHBondContact SG-NH2 3.23Å; C332-R334 VanDerWaalsContact SG-NH2 3.44Å
335R96.3Very high94.4Very high129 Ų12966.5 Ų66.549%0.48732%0.318SS..  trans-62.1139.8160.6179.8-179.2156.5169.88.3109.1D278 T318 L319 D320D278-R335 PolarHBondContact N-O 3.04Å; D278-R335 VanDerWaalsContact N-O 3.16Å; D278-R335 WeakPolarHBondContact OD2-CG 3.35Å; D278-R335 IonicContact OD2-CZ 3.73Å; D278-R335 IonicContact OD2-NE 2.67Å; D278-R335 PolarHBondContact OD2-NE 2.55Å; D278-R335 VanDerWaalsContact OD2-NE 3.11Å; T318-R335 HydrophobicContact CG2-CG 4.18Å; L319-R335 VanDerWaalsContact O-CA 3.31Å; L319-R335 WeakPolarHBondContact O-CA 3.38Å; D320-R335 HydrophobicContact CB-CG 4.15Å
336G94.8Very high94.5Very high0 Ų065.3 Ų65.30%031%0.313CS..EExtended strand (participates in β ladder)trans-143.1-179.2173.900000112.1V276 L319V276-G336 CarbonylContact O-C 3.59Å; V276-G336 WeakPolarHBondContact O-CA 3.49Å; L319-G336 PolarHBondContact N-O 3.2Å; L319-G336 PolarHBondContact O-N 2.94Å
337R96.2Very high94.4Very high119 Ų11960.7 Ų60.745%0.44930%0.295SS..EExtended strand (participates in β ladder)trans-125.3130.8170.9-74.4174.1-75.1164.3-1.9109.4V275 V276 D278 E317V275-R337 CarbonylContact C-O 3.48Å; V275-R337 WeakPolarHBondContact CA-O 3.4Å; V276-R337 PolarHBondContact N-O 3.2Å; V276-R337 PolarHBondContact O-N 3.25Å; D278-R337 IonicContact OD1-CZ 3.27Å; D278-R337 IonicContact OD1-NE 3.37Å; D278-R337 PolarHBondContact OD1-NE 3.42Å; D278-R337 IonicContact OD1-NH2 2.73Å; D278-R337 PolarHBondContact OD1-NH2 3.46Å; D278-R337 VanDerWaalsContact OD1-NH2 3.09Å; E317-R337 CarbonylContact O-C 3.37Å; E317-R337 VanDerWaalsContact O-CA 3.24Å; E317-R337 WeakPolarHBondContact O-CA 3.43Å
338K95.4Very high94.5Very high63 Ų6360.2 Ų60.227%0.27429%0.292SS..EExtended strand (participates in β ladder)trans-106141.6171.7171.7165.8160-106.70109.5D274 V275 P316 E317 L319D274-K338 CarbonylContact O-C 3.43Å; D274-K338 VanDerWaalsContact O-CA 3.27Å; D274-K338 WeakPolarHBondContact O-CA 3.29Å; V275-K338 HydrophobicContact CG2-CB 4.18Å; V275-K338 HydrophobicContact CG2-CD 4.14Å; V275-K338 HydrophobicContact CG2-CG 4.17Å; P316-K338 CarbonylContact C-O 3.58Å; P316-K338 WeakPolarHBondContact CA-O 3.37Å; E317-K338 HydrophobicContact CG-CB 3.7Å; E317-K338 HydrophobicContact CG-CG 4.22Å; E317-K338 WeakPolarHBondContact CG-O 3.47Å; E317-K338 PolarHBondContact N-O 3.28Å; E317-K338 PolarHBondContact O-N 2.94Å; E317-K338 WeakPolarHBondContact OE1-CD 3.46Å; E317-K338 WeakPolarHBondContact OE1-CE 3.18Å; E317-K338 VanDerWaalsContact OE1-CG 3.26Å; E317-K338 WeakPolarHBondContact OE1-CG 3.31Å; E317-K338 IonicContact OE1-NZ 3.51Å; E317-K338 PolarHBondContact OE1-NZ 3.06Å; L319-K338 HydrophobicContact CD1-CB 3.67Å; L319-K338 HydrophobicContact CD1-CD 4.48Å; L319-K338 HydrophobicContact CG-CB 4.1Å
339Q95.6Very high94.8Very high34 Ų3455.4 Ų55.416%0.15926%0.258CS..EExtended strand (participates in β ladder)trans-145.1135178.2-171.2176.812.700110.1D274 T314 P316D274-Q339 PolarHBondContact N-O 2.93Å; D274-Q339 PolarHBondContact O-N 3.22Å; T314-Q339 VanDerWaalsContact O-CG 3.29Å; T314-Q339 WeakPolarHBondContact O-CG 3.36Å; T314-Q339 PolarHBondContact O-NE2 3.03Å; P316-Q339 HydrophobicContact CB-CB 4.41Å; P316-Q339 HydrophobicContact CG-CB 4.5Å; P316-Q339 HydrophobicContact CG-CG 4.14Å
340L96.4Very high95.1Very high32 Ų3246.8 Ų46.817%0.16823%0.226CC..EExtended strand (participates in β ladder)trans-97.6140.5171.4-61.2177.1000110.2R272 Y313 T314R272-L340 CarbonylContact O-C 3.59Å; R272-L340 WeakPolarHBondContact O-CA 3.49Å; Y313-L340 HydrophobicContact CE1-CB 4.34Å; Y313-L340 HydrophobicContact CE1-CD1 4.33Å; Y313-L340 HydrophobicContact CE2-CD1 4.13Å; T314-L340 WeakPolarHBondContact CA-O 3.44Å; T314-L340 WeakPolarHBondContact CB-O 3.42Å
341T96.1Very high95.3Very high10 Ų1045.3 Ų45.36%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-140.5158.3172.749.20000109.7C271 R272 T383C271-T341 CarbonylContact C-O 3.5Å; C271-T341 VanDerWaalsContact CA-O 3.29Å; C271-T341 WeakPolarHBondContact CA-O 3.25Å; R272-T341 PolarHBondContact N-O 3.49Å; R272-T341 PolarHBondContact O-N 3.47Å; R272-T341 PolarHBondContact O-OG1 2.94Å; T341-T383 PolarHBondContact OG1-OG1 3.25Å
342L95.3Very high95.5Very high0 Ų040.2 Ų40.20%019%0.188CC..EExtended strand (participates in β ladder)trans-90.7120.1179.7-57.5178.5000109.7C271 F290 I293 Y313 L345 M378 Y381 M382 T383C271-L342 HydrophobicContact CB-CD2 4.35Å; F290-L342 HydrophobicContact CE1-CD2 4.08Å; F290-L342 HydrophobicContact CZ-CD2 4.24Å; I293-L342 HydrophobicContact CD1-CD1 4.09Å; I293-L342 HydrophobicContact CD1-CD2 3.86Å; Y313-L342 HydrophobicContact CE1-CD2 4.46Å; L342-L345 HydrophobicContact CB-CD2 4Å; L342-L345 HydrophobicContact CD1-CD2 3.63Å; L342-L345 HydrophobicContact CG-CD2 4.34Å; L342-M378 HydrophobicContact CD1-CE 3.3Å; L342-Y381 PolarHBondContact N-O 2.83Å; L342-M382 HydrophobicContact CB-SD 3.73Å; L342-M382 CarbonylContact O-C 3.5Å; L342-M382 VanDerWaalsContact O-CA 3.24Å; L342-M382 WeakPolarHBondContact O-CA 3.42Å; L342-M382 WeakPolarHBondContact O-CE 3.45Å; L342-T383 PolarHBondContact O-N 3.32Å; L342-T383 PolarHBondContact O-OG1 2.98Å
343N93.3Very high95.7Very high51 Ų5138.2 Ų38.227%0.27317%0.174SC..EExtended strand (participates in β ladder)trans-92.2-44-177.7-179.771000111.6T270 R272 L287 M382T270-N343 WeakPolarHBondContact O-CA 3.48Å; T270-N343 WeakPolarHBondContact O-CB 3.44Å; T270-N343 PolarHBondContact O-N 3.12Å; T270-N343 PolarHBondContact OG1-ND2 2.98Å; T270-N343 VanDerWaalsContact OG1-ND2 3.07Å; R272-N343 HydrophobicContact CB-CB 4.31Å; L287-N343 HydrophobicContact CD2-CB 4.04Å; N343-M382 WeakPolarHBondContact O-CE 3.38Å
344Q92.1Very high95.7Very high112 Ų11237.6 Ų37.652%0.52317%0.167SC..EExtended strand (participates in β ladder)trans-138.3135175.1-178.1178.9-17.300109.1G269 T270G269-Q344 CarbonylContact C-O 3.39Å; G269-Q344 VanDerWaalsContact CA-O 3.28Å; G269-Q344 WeakPolarHBondContact CA-O 3.45Å; T270-Q344 PolarHBondContact N-O 3.06Å; T270-Q344 PolarHBondContact O-N 2.78Å; T270-Q344 VanDerWaalsContact OG1-CB 3.28Å; T270-Q344 WeakPolarHBondContact OG1-CB 3.41Å; T270-Q344 PolarHBondContact OG1-N 3.35Å
345L93.8Very high95.6Very high23 Ų2334 Ų3412%0.1215%0.154CC..  trans-98.8143.6176.5-60.5173.8000110.7L342 M378 M382 Y407L342-L345 HydrophobicContact CB-CD2 4Å; L342-L345 HydrophobicContact CD1-CD2 3.63Å; L342-L345 HydrophobicContact CG-CD2 4.34Å; L345-M378 HydrophobicContact CD1-CB 3.48Å; L345-M378 VanDerWaalsContact CD1-CB 3.48Å; L345-M378 HydrophobicContact CD1-CG 4.18Å; L345-M378 HydrophobicContact CD2-CE 3.95Å; L345-M382 HydrophobicContact CD1-SD 3.69Å; L345-M382 HydrophobicContact CD2-SD 3.95Å; L345-M382 HydrophobicContact CG-CE 4.16Å; L345-M382 HydrophobicContact CG-SD 3.6Å; L345-M382 VanDerWaalsContact CG-SD 3.6Å; L345-Y407 HydrophobicContact CB-CE2 4.38Å; L345-Y407 WeakPolarHBondContact CB-OH 3.33Å; L345-Y407 HydrophobicContact CD1-CE2 3.7Å
346P94.5Very high95.2Very high4 Ų430.8 Ų30.83%0.02615%0.148CC..  trans-72.5160.5173.929.9-35.6000112.3F267 S268 F290 V348 V349 Y407F267-P346 VanDerWaalsContact C-CB 3.42Å; F267-P346 WeakPolarHBondContact O-CB 3.48Å; S268-P346 WeakPolarHBondContact O-CA 3.43Å; S268-P346 WeakPolarHBondContact O-CB 3.42Å; F290-P346 HydrophobicContact CE2-CG 4.33Å; P346-V348 WeakPolarHBondContact CB-O 3.44Å; P346-V348 WeakPolarHBondContact CG-O 3.49Å; P346-V348 PolarHBondContact O-N 3.07Å; P346-V349 HydrophobicContact CG-CB 4.19Å; P346-V349 HydrophobicContact CG-CG2 3.52Å; P346-Y407 WeakPolarHBondContact O-CE1 3.38Å; P346-Y407 PolarHBondContact O-OH 2.93Å
347A92.9Very high94.7Very high22 Ų2234.3 Ų34.318%0.18217%0.165CC..SBendtrans-60.2-32.6171.500000111.9Q172 V266 N463Q172-A347 HydrophobicContact CG-CB 4.5Å; V266-A347 PolarHBondContact O-N 3.17Å; V266-A347 VanDerWaalsContact O-N 3.12Å; A347-N463 PolarHBondContact O-N 3.49Å
348V96.5Very high93.9Very high0 Ų035.2 Ų35.20%017%0.174CC..EExtended strand (participates in β ladder)trans-125.1116.2172.4173.60000109.8T170 V266 F267 P346 Y410 F460 Y461T170-V348 HydrophobicContact CG2-CG2 3.79Å; V266-V348 HydrophobicContact CG1-CB 4.1Å; V266-V348 HydrophobicContact CG1-CG2 3.83Å; V266-V348 PolarHBondContact O-N 2.93Å; F267-V348 HydrophobicContact CD1-CB 3.9Å; F267-V348 HydrophobicContact CD1-CG1 3.9Å; F267-V348 HydrophobicContact CE1-CB 3.94Å; F267-V348 HydrophobicContact CE1-CG1 3.77Å; F267-V348 HydrophobicContact CE1-CG2 4.5Å; P346-V348 WeakPolarHBondContact CB-O 3.44Å; P346-V348 WeakPolarHBondContact CG-O 3.49Å; P346-V348 PolarHBondContact O-N 3.07Å; V348-Y410 HydrophobicContact CG1-CE1 3.91Å; V348-Y410 WeakPolarHBondContact CG1-OH 3.42Å; V348-Y410 HydrophobicContact CG2-CE1 4.5Å; V348-F460 HydrophobicContact CG1-CD1 4.4Å; V348-Y461 CarbonylContact C-O 3.56Å; V348-Y461 VanDerWaalsContact CA-O 3.26Å; V348-Y461 WeakPolarHBondContact CA-O 3.04Å
349V97.5Very high93Very high1 Ų137.5 Ų37.51%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-90.4127.7174.8178.70000109.6I293 P346 F351 Y407 F460 Y461I293-V349 HydrophobicContact CD1-CG1 4.35Å; P346-V349 HydrophobicContact CG-CB 4.19Å; P346-V349 HydrophobicContact CG-CG2 3.52Å; V349-F351 HydrophobicContact CB-CE2 4.39Å; V349-F351 HydrophobicContact CB-CZ 4.49Å; V349-F351 HydrophobicContact CG1-CD1 4.27Å; V349-F351 HydrophobicContact CG1-CD2 4.07Å; V349-F351 HydrophobicContact CG1-CE1 3.76Å; V349-F351 HydrophobicContact CG1-CE2 3.57Å; V349-F351 HydrophobicContact CG1-CG 4.39Å; V349-F351 HydrophobicContact CG1-CZ 3.41Å; V349-F351 VanDerWaalsContact CG1-CZ 3.41Å; V349-Y407 HydrophobicContact CB-CD1 4.33Å; V349-Y407 HydrophobicContact CB-CE1 4.19Å; V349-Y407 HydrophobicContact CG2-CD1 3.92Å; V349-Y407 HydrophobicContact CG2-CE1 3.4Å; V349-F460 WeakPolarHBondContact O-CA 3.44Å; V349-Y461 PolarHBondContact N-O 3.28Å; V349-Y461 PolarHBondContact O-N 2.81Å
350C98.6Very high92.1Very high1 Ų145.1 Ų45.11%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-101.5119.5168.21780000110Y238 N292 I293 M458 L459 F460Y238-C350 HydrophobicContact CE1-CB 3.96Å; N292-C350 CarbonylContact C-O 3.46Å; N292-C350 WeakPolarHBondContact CA-O 3.42Å; N292-C350 HydrophobicContact CB-CB 3.89Å; N292-C350 WeakPolarHBondContact CB-O 3.27Å; I293-C350 PolarHBondContact N-O 3.48Å; C350-M458 VanDerWaalsContact SG-CE 3.55Å; C350-L459 WeakPolarHBondContact CA-O 3.3Å; C350-F460 HydrophobicContact CB-CD1 4.1Å; C350-F460 HydrophobicContact CB-CE1 3.89Å
351F98.7Very high91.1Very high0 Ų049.3 Ų49.30%026%0.256CS..EExtended strand (participates in β ladder)trans-99.7132.3166.3-61-71.5000109.7I293 L295 L306 L310 V349 L376 M378 M458 L459 Y461I293-F351 HydrophobicContact CB-CD1 3.81Å; I293-F351 HydrophobicContact CB-CE1 4.02Å; I293-F351 HydrophobicContact CD1-CD1 4.37Å; I293-F351 HydrophobicContact CD1-CE1 3.71Å; I293-F351 HydrophobicContact CG1-CE1 4.41Å; I293-F351 HydrophobicContact CG2-CD1 4.21Å; I293-F351 HydrophobicContact CG2-CE1 4.34Å; I293-F351 WeakPolarHBondContact O-CA 3.32Å; L295-F351 HydrophobicContact CD1-CB 4.27Å; L295-F351 HydrophobicContact CD1-CD1 3.76Å; L295-F351 HydrophobicContact CD1-CG 4.25Å; L295-F351 HydrophobicContact CG-CD1 4.35Å; L306-F351 HydrophobicContact CD1-CB 4.43Å; L306-F351 HydrophobicContact CD1-CD2 4.47Å; L306-F351 HydrophobicContact CD1-CG 4.28Å; L306-F351 HydrophobicContact CD2-CD2 4.19Å; L306-F351 HydrophobicContact CD2-CE2 4.31Å; L310-F351 HydrophobicContact CD1-CE1 4.39Å; L310-F351 HydrophobicContact CD1-CZ 4.28Å; L310-F351 HydrophobicContact CD2-CD1 4.33Å; L310-F351 HydrophobicContact CD2-CE1 3.61Å; L310-F351 HydrophobicContact CD2-CZ 4.23Å; L310-F351 HydrophobicContact CG-CE1 4.46Å; V349-F351 HydrophobicContact CB-CE2 4.39Å; V349-F351 HydrophobicContact CB-CZ 4.49Å; V349-F351 HydrophobicContact CG1-CD1 4.27Å; V349-F351 HydrophobicContact CG1-CD2 4.07Å; V349-F351 HydrophobicContact CG1-CE1 3.76Å; V349-F351 HydrophobicContact CG1-CE2 3.57Å; V349-F351 HydrophobicContact CG1-CG 4.39Å; V349-F351 HydrophobicContact CG1-CZ 3.41Å; V349-F351 VanDerWaalsContact CG1-CZ 3.41Å; F351-L376 HydrophobicContact CE2-CD2 3.47Å; F351-L376 VanDerWaalsContact CE2-CD2 3.47Å; F351-L376 HydrophobicContact CZ-CD2 3.78Å; F351-M378 HydrophobicContact CE1-CE 4.18Å; F351-M378 HydrophobicContact CZ-CE 3.71Å; F351-M378 HydrophobicContact CZ-SD 3.79Å; F351-M458 CarbonylContact O-C 3.53Å; F351-M458 WeakPolarHBondContact O-CA 3.44Å; F351-L459 HydrophobicContact CB-CB 4.26Å; F351-L459 HydrophobicContact CD2-CB 4.45Å; F351-L459 PolarHBondContact N-O 3.16Å; F351-L459 PolarHBondContact O-N 3Å; F351-Y461 AromaticContact CD2-CD2 3.8Å; F351-Y461 HydrophobicContact CD2-CD2 3.8Å; F351-Y461 AromaticContact CD2-CE2 3.88Å; F351-Y461 HydrophobicContact CD2-CE2 3.88Å; F351-Y461 AromaticContact CE2-CD2 3.81Å; F351-Y461 HydrophobicContact CE2-CD2 3.81Å; F351-Y461 HydrophobicContact CE2-CE2 4.04Å
352H98.3Very high90.4Very high19 Ų1951.7 Ų51.79%0.08827%0.274CS..EExtended strand (participates in β ladder)trans-110.9122.9171.2164.9-135.9000108.5H235 N292 I293 S294 L295 Y457H235-H352 AromaticContact CD2-CG 3.9Å; H235-H352 AromaticContact CE1-ND1 3.4Å; H235-H352 PolarHBondContact CE1-ND1 3.19Å; H235-H352 AromaticContact CG-CE1 3.93Å; H235-H352 AromaticContact CG-CG 3.63Å; H235-H352 AromaticContact CG-ND1 3.57Å; H235-H352 AromaticContact ND1-CE1 3.41Å; H235-H352 PolarHBondContact ND1-CE1 2.81Å; H235-H352 AromaticContact ND1-CG 3.7Å; H235-H352 AromaticContact ND1-ND1 3.11Å; H235-H352 PolarHBondContact ND1-ND1 2.89Å; H235-H352 VanDerWaalsContact ND1-ND1 3.11Å; H235-H352 AromaticContact NE2-ND1 3.92Å; N292-H352 WeakPolarHBondContact ND2-CB 3.38Å; I293-H352 PolarHBondContact O-N 3.3Å; S294-H352 CarbonylContact C-O 3.58Å; S294-H352 WeakPolarHBondContact CA-O 3.47Å; S294-H352 PolarHBondContact OG-ND1 2.95Å; L295-H352 PolarHBondContact N-O 3.44Å; H352-Y457 AromaticContact CD2-CE2 3.57Å; H352-Y457 AromaticContact CD2-CZ 3.68Å; H352-Y457 AromaticContact NE2-CE2 3.29Å; H352-Y457 VanDerWaalsContact NE2-CE2 3.29Å; H352-Y457 WeakPolarHBondContact NE2-CE2 3.45Å; H352-Y457 AromaticContact NE2-CZ 3.44Å; H352-Y457 PolarHBondContact NE2-OH 3.43Å
353L97.4Very high89.7Confident0 Ų057.1 Ų57.10%030%0.299CS..EExtended strand (participates in β ladder)trans-89.2111.7176.4-62.9-177.1000109.2L295 V297 L306 R355 V370 A456 Y457 L459L295-L353 HydrophobicContact CB-CD2 4.08Å; L295-L353 HydrophobicContact CD1-CD2 4.17Å; V297-L353 HydrophobicContact CG2-CB 3.9Å; V297-L353 HydrophobicContact CG2-CD2 4.33Å; L306-L353 HydrophobicContact CD1-CD2 4.3Å; L353-R355 HydrophobicContact CB-CG 4.45Å; L353-R355 WeakPolarHBondContact O-CG 3.3Å; L353-R355 PolarHBondContact O-N 3.33Å; L353-V370 HydrophobicContact CD1-CB 4Å; L353-V370 HydrophobicContact CD1-CG1 4.21Å; L353-V370 HydrophobicContact CD1-CG2 4.12Å; L353-A456 HydrophobicContact CD1-CB 4.34Å; L353-A456 WeakPolarHBondContact CD1-O 3.21Å; L353-Y457 PolarHBondContact N-O 3.34Å; L353-L459 HydrophobicContact CD1-CD1 4.45Å
354K95.1Very high89.4Confident90 Ų9056.3 Ų56.339%0.39130%0.297SS..EExtended strand (participates in β ladder)trans-67.691.3179.2-65.6-177.8-178179.60110.1S294 L295 E296S294-K354 VanDerWaalsContact CB-CE 3.5Å; L295-K354 WeakPolarHBondContact O-CB 3.47Å; L295-K354 PolarHBondContact O-N 3.44Å; E296-K354 HydrophobicContact CG-CD 4.26Å
355R93Very high89.3Confident5 Ų552.1 Ų52.12%0.01928%0.277CS..  trans-92.28.1-177.6-72.1-175.5178.6-75.8-3.5114L353 K365 I366 R368 E455 A456L353-R355 HydrophobicContact CB-CG 4.45Å; L353-R355 WeakPolarHBondContact O-CG 3.3Å; L353-R355 PolarHBondContact O-N 3.33Å; R355-K365 HydrophobicContact CB-CG 4.47Å; R355-K365 CarbonylContact O-C 3.5Å; R355-K365 VanDerWaalsContact O-CA 3.28Å; R355-K365 WeakPolarHBondContact O-CA 3.34Å; R355-I366 PolarHBondContact NH1-O 2.93Å; R355-I366 PolarHBondContact O-N 3.02Å; R355-R368 PolarHBondContact NH1-O 2.72Å; R355-E455 IonicContact NH1-OE1 2.72Å; R355-A456 PolarHBondContact NE-O 3.36Å; R355-A456 PolarHBondContact NH2-O 2.85Å
356V86.9Confident89.1Confident61 Ų6151.6 Ų51.637%0.3727%0.274SS..EExtended strand (participates in β ladder)trans-106.2125.4177.7-1730000109.6Q363 T419V356-Q363 HydrophobicContact CG1-CB 4.39Å; V356-T419 HydrophobicContact CB-CG2 4.28Å; V356-T419 HydrophobicContact CG1-CG2 3.67Å; V356-T419 HydrophobicContact CG2-CG2 3.64Å
357Q84.2Confident88.9Confident73 Ų7358.2 Ų58.234%0.34130%0.299SS..EExtended strand (participates in β ladder)trans-112.1126.2172.4-166.2-179.925.400109.8Q363 S364 I366Q357-Q363 WeakPolarHBondContact O-CA 3.21Å; Q357-S364 PolarHBondContact N-O 3.3Å; Q357-S364 PolarHBondContact O-N 3.12Å; Q357-I366 HydrophobicContact CB-CD1 4.19Å; Q357-I366 HydrophobicContact CB-CG1 4.22Å
358H80.2Confident88.7Confident138 Ų13859 Ų5964%0.63930%0.297SS*.EExtended strand (participates in β ladder)trans-85.2112.8170.9-64.2-94.4000109.1Q363H358-Q363 PolarHBondContact CE1-NE2 2.84Å
359K77Confident88.6Confident111 Ų11163 Ų6348%0.48332%0.315SS..EExtended strand (participates in β ladder)trans-96.3160.6165.4-63.2177.3-179.1171.80107.9S361 S362 S364K359-S361 PolarHBondContact O-N 2.99Å; K359-S362 CarbonylContact C-O 3.48Å; K359-S362 WeakPolarHBondContact CA-O 3.38Å; K359-S362 WeakPolarHBondContact CB-O 3.4Å; K359-S362 PolarHBondContact N-O 3.04Å; K359-S362 PolarHBondContact O-N 3.44Å; K359-S362 VanDerWaalsContact O-O 3.06Å; K359-S364 WeakPolarHBondContact CE-OG 3.39Å
360L76.5Confident88.6Confident195 Ų19563 Ų63100%1.02132%0.315SS*.THydrogen-bonded Turntrans-47.1-31.7-173.7-81152.6000115.1
361S75.2Confident88.5Confident119 Ų11965.2 Ų65.283%0.83233%0.33SS*.THydrogen-bonded Turntrans-129.81.9-176.457.40000114.6K359K359-S361 PolarHBondContact O-N 2.99Å
362S80.9Confident88.4Confident61 Ų6165.7 Ų65.743%0.42733%0.332SS..EExtended strand (participates in β ladder)trans-157.3153-176.753.90000111.9K359K359-S362 CarbonylContact C-O 3.48Å; K359-S362 WeakPolarHBondContact CA-O 3.38Å; K359-S362 WeakPolarHBondContact CB-O 3.4Å; K359-S362 PolarHBondContact N-O 3.04Å; K359-S362 PolarHBondContact O-N 3.44Å; K359-S362 VanDerWaalsContact O-O 3.06Å
363Q82.1Confident88.4Confident114 Ų11466.8 Ų66.853%0.53334%0.341SS..EExtended strand (participates in β ladder)trans-96.6136.3165.7-64.7-17710.700108.8V356 Q357 H358V356-Q363 HydrophobicContact CG1-CB 4.39Å; Q357-Q363 WeakPolarHBondContact O-CA 3.21Å; H358-Q363 PolarHBondContact CE1-NE2 2.84Å
364S86.4Confident88.3Confident34 Ų3468.4 Ų68.424%0.23835%0.349CS..EExtended strand (participates in β ladder)trans-131139.5176.360.60000111.3Q357 K359Q357-S364 PolarHBondContact N-O 3.3Å; Q357-S364 PolarHBondContact O-N 3.12Å; K359-S364 WeakPolarHBondContact CE-OG 3.39Å
365K89.6Confident88.4Confident23 Ų2368.7 Ų68.710%0.135%0.354CS..EExtended strand (participates in β ladder)trans-79.3128.8175.3-174.7178.5174.2179.90111.5R355 R367 H415 G417 T419 E455R355-K365 HydrophobicContact CB-CG 4.47Å; R355-K365 CarbonylContact O-C 3.5Å; R355-K365 VanDerWaalsContact O-CA 3.28Å; R355-K365 WeakPolarHBondContact O-CA 3.34Å; K365-R367 PolarHBondContact O-N 3.48Å; K365-H415 PolarHBondContact NZ-ND1 3.33Å; K365-H415 VanDerWaalsContact NZ-ND1 3.1Å; K365-H415 PolarHBondContact NZ-O 3.48Å; K365-G417 WeakPolarHBondContact CD-O 3.41Å; K365-G417 PolarHBondContact NZ-O 2.9Å; K365-T419 PolarHBondContact N-OG1 3.35Å; K365-E455 WeakPolarHBondContact CE-OE1 3.36Å; K365-E455 IonicContact NZ-OE1 3.74Å
366I90.2Very high88.6Confident12 Ų1268.6 Ų68.66%0.06235%0.354CS..  trans-78.8102.2172.1-57.1164.7000108.3V297 R355 Q357 R368V297-I366 HydrophobicContact CB-CG2 4.4Å; V297-I366 HydrophobicContact CG1-CG2 3.85Å; V297-I366 WeakPolarHBondContact O-CD1 3.43Å; R355-I366 PolarHBondContact NH1-O 2.93Å; R355-I366 PolarHBondContact O-N 3.02Å; Q357-I366 HydrophobicContact CB-CD1 4.19Å; Q357-I366 HydrophobicContact CB-CG1 4.22Å; I366-R368 VanDerWaalsContact C-N 3.28Å; I366-R368 HydrophobicContact CG2-CB 3.86Å
367R89.3Confident88.9Confident143 Ų14369.2 Ų69.254%0.5436%0.355SS..  trans-85.92.2178.4-62.9-172.1-180-171.70.9113.9K365 F369K365-R367 PolarHBondContact O-N 3.48Å; R367-F369 PolarHBondContact O-N 3.25Å
368R90Very high89.4Confident38 Ų3865.7 Ų65.714%0.14334%0.339CS..  trans-56.4130.3-178.3-174.7177.7179.61786.3110.5C298 S300 G302 I304 R355 I366 V370C298-R368 WeakPolarHBondContact O-CD 3.5Å; C298-R368 PolarHBondContact O-NH1 3.07Å; S300-R368 PolarHBondContact O-NH1 2.82Å; S300-R368 PolarHBondContact O-NH2 3.45Å; S300-R368 PolarHBondContact OG-NH1 3.39Å; G302-R368 PolarHBondContact O-NH2 2.76Å; I304-R368 HydrophobicContact CG2-CG 4.13Å; I304-R368 VanDerWaalsContact CG2-NE 3.32Å; R355-R368 PolarHBondContact NH1-O 2.72Å; I366-R368 VanDerWaalsContact C-N 3.28Å; I366-R368 HydrophobicContact CG2-CB 3.86Å; R368-V370 PolarHBondContact O-N 2.91Å
369F93.7Very high90Very high86 Ų8662.3 Ų62.338%0.37732%0.323SS..  trans-66.3129.8172.8177.5-107.3000110I304 R367 M452I304-F369 VanDerWaalsContact CG2-O 3.32Å; I304-F369 WeakPolarHBondContact CG2-O 3.47Å; R367-F369 PolarHBondContact O-N 3.25Å; F369-M452 VanDerWaalsContact CZ-O 3.3Å; F369-M452 WeakPolarHBondContact CZ-O 3.44Å
370V96.4Very high90.8Very high1 Ų160.2 Ų60.21%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-112.8115.5173.8-178.20000106.3V297 I304 L353 R368 F372V297-V370 HydrophobicContact CG1-CG2 3.74Å; V297-V370 HydrophobicContact CG2-CG2 4.15Å; I304-V370 HydrophobicContact CG2-CB 4.29Å; I304-V370 HydrophobicContact CG2-CG1 4.44Å; I304-V370 HydrophobicContact CG2-CG2 3.85Å; L353-V370 HydrophobicContact CD1-CB 4Å; L353-V370 HydrophobicContact CD1-CG1 4.21Å; L353-V370 HydrophobicContact CD1-CG2 4.12Å; R368-V370 PolarHBondContact O-N 2.91Å; V370-F372 VanDerWaalsContact O-CD1 3.25Å; V370-F372 WeakPolarHBondContact O-CD1 3.45Å
371S97Very high91.6Very high47 Ų4751.4 Ų51.433%0.32927%0.274SS..EExtended strand (participates in β ladder)trans-70.9135.2175.4600000109.9I304 S305 L306I304-S371 PolarHBondContact O-N 3.19Å; I304-S371 PolarHBondContact O-OG 3.45Å; I304-S371 VanDerWaalsContact O-OG 3.09Å; S305-S371 CarbonylContact C-O 3.52Å; S305-S371 WeakPolarHBondContact CA-O 3.45Å; S305-S371 VanDerWaalsContact CA-OG 3.31Å; S305-S371 WeakPolarHBondContact CA-OG 3.32Å; S305-S371 VanDerWaalsContact CB-OG 3.27Å; S305-S371 WeakPolarHBondContact CB-OG 3.27Å; L306-S371 PolarHBondContact N-O 3.43Å
372F97.8Very high92.5Very high9 Ų946.4 Ų46.44%0.03924%0.237CC..  trans-129.3140176.845.8-91000108.7L306 V370 L409 V412 V451 M452 A456 L459L306-F372 HydrophobicContact CB-CB 4.02Å; L306-F372 HydrophobicContact CD2-CB 4.13Å; V370-F372 VanDerWaalsContact O-CD1 3.25Å; V370-F372 WeakPolarHBondContact O-CD1 3.45Å; F372-L409 HydrophobicContact CD2-CD2 3.73Å; F372-L409 HydrophobicContact CE2-CD2 3.7Å; F372-V412 HydrophobicContact CE2-CG2 4.2Å; F372-V412 HydrophobicContact CZ-CG1 4.42Å; F372-V412 HydrophobicContact CZ-CG2 4.49Å; F372-V451 WeakPolarHBondContact CZ-O 3.42Å; F372-M452 HydrophobicContact CD2-CE 3.95Å; F372-M452 HydrophobicContact CD2-SD 4.46Å; F372-M452 HydrophobicContact CE2-CE 4.12Å; F372-M452 HydrophobicContact CE2-SD 4.09Å; F372-M452 WeakPolarHBondContact O-CE 3.31Å; F372-A456 HydrophobicContact CD1-CB 3.97Å; F372-A456 HydrophobicContact CE1-CB 3.48Å; F372-A456 VanDerWaalsContact CE1-CB 3.48Å; F372-A456 HydrophobicContact CZ-CB 4.12Å; F372-L459 HydrophobicContact CB-CD1 3.91Å; F372-L459 HydrophobicContact CB-CD2 4.34Å; F372-L459 HydrophobicContact CD1-CD1 4.25Å; F372-L459 HydrophobicContact CD1-CD2 3.91Å; F372-L459 HydrophobicContact CD2-CD2 3.74Å; F372-L459 HydrophobicContact CE1-CD2 4.14Å; F372-L459 HydrophobicContact CE2-CD2 3.95Å; F372-L459 HydrophobicContact CG-CD1 4.09Å; F372-L459 HydrophobicContact CG-CD2 3.71Å; F372-L459 HydrophobicContact CZ-CD2 4.14Å
373P97.1Very high92.9Very high42 Ų4244.2 Ų44.227%0.27322%0.221SC..  trans-80155.8-17934-36.1000111.1N375 L376 Y461P373-N375 WeakPolarHBondContact CB-O 3.46Å; P373-L376 HydrophobicContact CG-CB 4.26Å; P373-L376 HydrophobicContact CG-CD1 3.89Å; P373-Y461 WeakPolarHBondContact O-CE1 3.39Å; P373-Y461 PolarHBondContact O-OH 3.35Å
374E96Very high92.5Very high35 Ų3546.1 Ų46.116%0.16423%0.228CC..SBendtrans-71.5-38.9171.2-179-175.7-160.900111.6L408 L409 R429 K448 M452E374-L408 HydrophobicContact CG-CD1 4.07Å; E374-L409 PolarHBondContact O-N 3.24Å; E374-R429 IonicContact OE1-CZ 3.48Å; E374-R429 IonicContact OE1-NH1 2.58Å; E374-R429 PolarHBondContact OE1-NH1 3.35Å; E374-R429 IonicContact OE1-NH2 3.53Å; E374-R429 PolarHBondContact OE1-NH2 3.35Å; E374-K448 IonicContact OE1-NZ 3.78Å; E374-K448 VanDerWaalsContact OE2-CE 3.23Å; E374-K448 WeakPolarHBondContact OE2-CE 3.47Å; E374-K448 IonicContact OE2-NZ 3.21Å; E374-K448 PolarHBondContact OE2-NZ 2.81Å; E374-M452 HydrophobicContact CB-CE 4.36Å
375N96.4Very high91.7Very high95 Ų9546.8 Ų46.851%0.50823%0.227SC..EExtended strand (participates in β ladder)trans-111.3121.8176.4-64.2-88.7000107.9P373 Y407 L408P373-N375 WeakPolarHBondContact CB-O 3.46Å; N375-Y407 CarbonylContact C-O 3.5Å; N375-Y407 WeakPolarHBondContact CA-O 3.33Å; N375-L408 WeakPolarHBondContact OD1-CD1 3.46Å
376L96.7Very high89.9Confident4 Ų450.1 Ų50.12%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-112.7128.6-177.8-178.464000109.6L306 T307 L310 F351 P373 M378 R406 Y407 Y461L306-L376 HydrophobicContact CD2-CD1 4.5Å; L306-L376 HydrophobicContact CD2-CD2 4.04Å; T307-L376 HydrophobicContact CG2-CD1 4.2Å; L310-L376 HydrophobicContact CD1-CD1 4.27Å; L310-L376 HydrophobicContact CD1-CD2 4.37Å; F351-L376 HydrophobicContact CE2-CD2 3.47Å; F351-L376 VanDerWaalsContact CE2-CD2 3.47Å; F351-L376 HydrophobicContact CZ-CD2 3.78Å; P373-L376 HydrophobicContact CG-CB 4.26Å; P373-L376 HydrophobicContact CG-CD1 3.89Å; L376-M378 HydrophobicContact CD2-CG 4.25Å; L376-M378 HydrophobicContact CD2-SD 3.52Å; L376-M378 VanDerWaalsContact CD2-SD 3.52Å; L376-M378 HydrophobicContact CG-CG 4.25Å; L376-M378 HydrophobicContact CG-SD 3.86Å; L376-R406 WeakPolarHBondContact O-CA 3.27Å; L376-Y407 PolarHBondContact N-O 3.27Å; L376-Y407 PolarHBondContact O-N 3.42Å; L376-Y461 HydrophobicContact CB-CD1 3.94Å; L376-Y461 HydrophobicContact CB-CE1 3.67Å; L376-Y461 HydrophobicContact CD2-CD1 4.41Å; L376-Y461 HydrophobicContact CD2-CD2 4.5Å; L376-Y461 HydrophobicContact CD2-CE1 4.28Å; L376-Y461 HydrophobicContact CD2-CE2 4.33Å
377D94.6Very high87.9Confident73 Ų7353.4 Ų53.439%0.3926%0.263SS..EExtended strand (participates in β ladder)trans-95.8117.7168.7-175.69000109.3F379D377-F379 VanDerWaalsContact OD1-CB 3.22Å; D377-F379 WeakPolarHBondContact OD1-CB 3.45Å; D377-F379 PolarHBondContact OD1-N 2.91Å
378M94.7Very high85.9Confident0 Ų049.5 Ų49.50%026%0.261CS..  trans-94.7-6.1180-67.5-64.4-73.600112.9I293 L310 L342 L345 F351 L376 P380 Y381 H405 Y407I293-M378 HydrophobicContact CD1-CE 4.43Å; L310-M378 HydrophobicContact CD1-SD 4.16Å; L342-M378 HydrophobicContact CD1-CE 3.3Å; L345-M378 HydrophobicContact CD1-CB 3.48Å; L345-M378 VanDerWaalsContact CD1-CB 3.48Å; L345-M378 HydrophobicContact CD1-CG 4.18Å; L345-M378 HydrophobicContact CD2-CE 3.95Å; F351-M378 HydrophobicContact CE1-CE 4.18Å; F351-M378 HydrophobicContact CZ-CE 3.71Å; F351-M378 HydrophobicContact CZ-SD 3.79Å; L376-M378 HydrophobicContact CD2-CG 4.25Å; L376-M378 HydrophobicContact CD2-SD 3.52Å; L376-M378 VanDerWaalsContact CD2-SD 3.52Å; L376-M378 HydrophobicContact CG-CG 4.25Å; L376-M378 HydrophobicContact CG-SD 3.86Å; M378-P380 VanDerWaalsContact C-CD 3.41Å; M378-Y381 HydrophobicContact CE-CD2 4.42Å; M378-Y381 PolarHBondContact O-N 2.58Å; M378-Y381 HydrophobicContact SD-CD2 4.1Å; M378-Y381 HydrophobicContact SD-CE2 4.37Å; M378-H405 HydrophobicContact CB-CB 4.37Å; M378-H405 WeakPolarHBondContact CB-O 3.12Å; M378-H405 PolarHBondContact N-O 3.4Å; M378-Y407 HydrophobicContact CB-CD2 4.29Å; M378-Y407 HydrophobicContact CB-CE2 4.46Å; M378-Y407 HydrophobicContact CG-CD2 3.7Å; M378-Y407 HydrophobicContact CG-CE2 4.16Å; M378-Y407 HydrophobicContact CG-CG 4.37Å
379F92.6Very high83.8Confident66 Ų6654.3 Ų54.329%0.28929%0.289SS..G310 helixtrans-54.2-43.3-178.6-175-109.6000113.9D377 Y381 M382 Q385 V401 H405D377-F379 VanDerWaalsContact OD1-CB 3.22Å; D377-F379 WeakPolarHBondContact OD1-CB 3.45Å; D377-F379 PolarHBondContact OD1-N 2.91Å; F379-Y381 PolarHBondContact O-N 3.08Å; F379-M382 WeakPolarHBondContact O-CB 3.45Å; F379-M382 PolarHBondContact O-N 2.88Å; F379-Q385 HydrophobicContact CE1-CG 4.21Å; F379-Q385 HydrophobicContact CZ-CB 4.42Å; F379-Q385 HydrophobicContact CZ-CG 4.48Å; F379-Q385 PolarHBondContact O-OE1 2.94Å; F379-V401 HydrophobicContact CE2-CG1 4.37Å; F379-H405 HydrophobicContact CB-CB 3.95Å; F379-H405 AromaticContact CD2-CE1 3.71Å; F379-H405 AromaticContact CD2-ND1 3.47Å; F379-H405 WeakPolarHBondContact CD2-ND1 3.49Å
380P93.2Very high81.3Confident67 Ų6760 Ų6044%0.43531%0.308SS..G310 helixtrans-52.7-28.2179.4-30.138.7000115.6M378M378-P380 VanDerWaalsContact C-CD 3.41Å
381Y94.6Very high78.3Confident11 Ų1163.4 Ų63.44%0.04334%0.336CS..G310 helixtrans-95.8-1.7-172.7-46.8-65.2000112.5L310 D311 T314 L342 M378 F379L310-Y381 HydrophobicContact CB-CD1 4.03Å; L310-Y381 HydrophobicContact CB-CD2 4.4Å; L310-Y381 HydrophobicContact CB-CE1 3.47Å; L310-Y381 VanDerWaalsContact CB-CE1 3.47Å; L310-Y381 HydrophobicContact CB-CE2 3.92Å; L310-Y381 HydrophobicContact CB-CG 4.45Å; L310-Y381 VanDerWaalsContact CB-CZ 3.41Å; L310-Y381 HydrophobicContact CD1-CD2 4.34Å; L310-Y381 HydrophobicContact CD1-CE2 3.73Å; L310-Y381 HydrophobicContact CG-CE2 4.36Å; D311-Y381 WeakPolarHBondContact OD1-CE1 3.41Å; T314-Y381 HydrophobicContact CG2-CD1 4.06Å; T314-Y381 HydrophobicContact CG2-CG 4.45Å; L342-Y381 PolarHBondContact N-O 2.83Å; M378-Y381 HydrophobicContact CE-CD2 4.42Å; M378-Y381 PolarHBondContact O-N 2.58Å; M378-Y381 HydrophobicContact SD-CD2 4.1Å; M378-Y381 HydrophobicContact SD-CE2 4.37Å; F379-Y381 PolarHBondContact O-N 3.08Å
382M93.5Very high75.4Confident14 Ų1466.7 Ų66.77%0.06935%0.354CS..BIsolated β-bridgetrans-81.5139.3-174.1-63.4-60.4-66.100113.1L342 N343 L345 F379 K384 Q385L342-M382 HydrophobicContact CB-SD 3.73Å; L342-M382 CarbonylContact O-C 3.5Å; L342-M382 VanDerWaalsContact O-CA 3.24Å; L342-M382 WeakPolarHBondContact O-CA 3.42Å; L342-M382 WeakPolarHBondContact O-CE 3.45Å; N343-M382 WeakPolarHBondContact O-CE 3.38Å; L345-M382 HydrophobicContact CD1-SD 3.69Å; L345-M382 HydrophobicContact CD2-SD 3.95Å; L345-M382 HydrophobicContact CG-CE 4.16Å; L345-M382 HydrophobicContact CG-SD 3.6Å; L345-M382 VanDerWaalsContact CG-SD 3.6Å; F379-M382 WeakPolarHBondContact O-CB 3.45Å; F379-M382 PolarHBondContact O-N 2.88Å; M382-K384 PolarHBondContact O-N 3.31Å; M382-K384 VanDerWaalsContact O-N 3.15Å; M382-Q385 PolarHBondContact O-N 2.98Å
383T89.3Confident72.1Confident15 Ų1575 Ų759%0.09239%0.393CS..Hα-helixtrans-52.6-40.4177.1-52.10000112.8T341 L342 Q385 R386T341-T383 PolarHBondContact OG1-OG1 3.25Å; L342-T383 PolarHBondContact O-N 3.32Å; L342-T383 PolarHBondContact O-OG1 2.98Å; T383-Q385 VanDerWaalsContact C-N 3.32Å; T383-Q385 PolarHBondContact O-N 3.02Å; T383-R386 VanDerWaalsContact O-CB 3.23Å; T383-R386 WeakPolarHBondContact O-CB 3.38Å; T383-R386 PolarHBondContact O-N 3.37Å; T383-R386 VanDerWaalsContact O-N 3.09Å
384K74.5Confident68.9Low154 Ų15479 Ų7967%0.6742%0.417SS*.Hα-helixtrans-67.2-27-173.3-68.5-179.3-177.9173.70113.8M382 R386 S387 A388M382-K384 PolarHBondContact O-N 3.31Å; M382-K384 VanDerWaalsContact O-N 3.15Å; K384-R386 PolarHBondContact O-N 3.15Å; K384-S387 PolarHBondContact O-N 3.04Å; K384-A388 PolarHBondContact O-N 2.84Å; K384-A388 VanDerWaalsContact O-N 3.1Å
385Q67.9Low65.9Low48 Ų4886.4 Ų86.422%0.22445%0.451CS..Hα-helixtrans-63.4-30.8174.3-174.4171.8-11.200111.3F379 M382 T383 S387 A388 L389F379-Q385 HydrophobicContact CE1-CG 4.21Å; F379-Q385 HydrophobicContact CZ-CB 4.42Å; F379-Q385 HydrophobicContact CZ-CG 4.48Å; F379-Q385 PolarHBondContact O-OE1 2.94Å; M382-Q385 PolarHBondContact O-N 2.98Å; T383-Q385 VanDerWaalsContact C-N 3.32Å; T383-Q385 PolarHBondContact O-N 3.02Å; Q385-S387 VanDerWaalsContact C-N 3.34Å; Q385-S387 PolarHBondContact O-N 2.92Å; Q385-A388 PolarHBondContact O-N 3.2Å; Q385-L389 HydrophobicContact CG-CD1 3.88Å; Q385-L389 HydrophobicContact CG-CG 4.29Å; Q385-L389 WeakPolarHBondContact O-CB 3.46Å; Q385-L389 WeakPolarHBondContact O-CG 3.18Å; Q385-L389 PolarHBondContact O-N 3.06Å
386R51.8Low62.8Low93 Ų9387.4 Ų87.435%0.35147%0.473SS..Hα-helixtrans-69.3-31.4177.3-154.4-176.7178.5168.212.3112.9D274 T383 K384D274-R386 IonicContact OD2-NH1 3.52Å; T383-R386 VanDerWaalsContact O-CB 3.23Å; T383-R386 WeakPolarHBondContact O-CB 3.38Å; T383-R386 PolarHBondContact O-N 3.37Å; T383-R386 VanDerWaalsContact O-N 3.09Å; K384-R386 PolarHBondContact O-N 3.15Å
387S49Very low59.8Low81 Ų8190.4 Ų90.457%0.56651%0.505SS*.Hα-helixtrans-73.8-40.1173.1-49.40000111.3K384 Q385 R390K384-S387 PolarHBondContact O-N 3.04Å; Q385-S387 VanDerWaalsContact C-N 3.34Å; Q385-S387 PolarHBondContact O-N 2.92Å; S387-R390 PolarHBondContact O-N 3.28Å
388A47.1Very low57.2Low60 Ų6091.9 Ų91.950%0.49651%0.513SS..Hα-helixtrans-71.3-38.1-179.500000113K384 Q385 R390 A391K384-A388 PolarHBondContact O-N 2.84Å; K384-A388 VanDerWaalsContact O-N 3.1Å; Q385-A388 PolarHBondContact O-N 3.2Å; A388-R390 PolarHBondContact O-N 2.86Å; A388-A391 CarbonylContact O-C 3.6Å; A388-A391 PolarHBondContact O-N 3.39Å
389L46Very low54.7Low139 Ų13997 Ų9773%0.72855%0.547SS*.THydrogen-bonded Turntrans-67.9-13.1175.8-74.5167.1000113.7Q385Q385-L389 HydrophobicContact CG-CD1 3.88Å; Q385-L389 HydrophobicContact CG-CG 4.29Å; Q385-L389 WeakPolarHBondContact O-CB 3.46Å; Q385-L389 WeakPolarHBondContact O-CG 3.18Å; Q385-L389 PolarHBondContact O-N 3.06Å
390R40.7Very low52.8Low207 Ų20797.6 Ų97.678%0.78156%0.56SS**THydrogen-bonded Turntrans-90.9-12.5170.9-70.9-175.6174.7-167.1-1.3113.4S387 A388S387-R390 PolarHBondContact O-N 3.28Å; A388-R390 PolarHBondContact O-N 2.86Å
391A34.7Very low51.1Low71 Ų7196.6 Ų96.659%0.58755%0.552SS**SBendtrans-107.7101.2176.200000108.7A388 E393A388-A391 CarbonylContact O-C 3.6Å; A388-A391 PolarHBondContact O-N 3.39Å; A391-E393 PolarHBondContact O-N 3.21Å
392V34.8Very low49.2Very low117 Ų117101.2 Ų101.271%0.70957%0.574SS**  trans-40.8129.4173.8172.10000112T394V392-T394 PolarHBondContact O-N 3.29Å
393E29.8Very low47.9Very low182 Ų182106.1 Ų106.185%0.8560%0.597SS**  trans18.683.7148.2-59.5176.5151.700116.1A391A391-E393 PolarHBondContact O-N 3.21Å
394T29.3Very low47.3Very low128 Ų128109.9 Ų109.979%0.78562%0.616SS**  trans-143.5112.4154.732.50000112.3V392V392-T394 PolarHBondContact O-N 3.29Å
395Q32.5Very low48.1Very low189 Ų189103.8 Ų103.888%0.88359%0.59SS**  trans80.9102.6152.1-57.5-167.3-2.100118.8G397Q395-G397 PolarHBondContact O-N 2.92Å
396A30.8Very low49.3Very low116 Ų116106.8 Ų106.896%0.95960%0.599SS**  trans-50.8115.2161.500000111.8
397G34.4Very low51.4Low67 Ų67102.4 Ų102.469%0.69158%0.583SS**  trans175.145.4174.200000113.8Q395Q395-G397 PolarHBondContact O-N 2.92Å
398N39.6Very low53.6Low105 Ų10599.3 Ų99.356%0.56156%0.56SS**  trans-134.239.9-170.2-106.1-2.8000115.6S400 V401N398-S400 PolarHBondContact O-N 2.93Å; N398-V401 HydrophobicContact CB-CG2 4.38Å; N398-V401 PolarHBondContact O-N 2.9Å
399C43.8Very low56.1Low107 Ų10796.4 Ų96.472%0.72354%0.536SS*.THydrogen-bonded Turntrans-60.8-14.8174.5-159.30000113.5
400S52.5Low58.5Low79 Ų7990 Ų9055%0.55250%0.502SS*.THydrogen-bonded Turntrans-85.9-28.1178.651.40000114.8N398N398-S400 PolarHBondContact O-N 2.93Å
401V56.6Low61.2Low46 Ų4680.1 Ų80.128%0.27947%0.465SS..THydrogen-bonded Turntrans-81.1-31.1-173.9-1750000111.8F379 N398 Q403 L404 H405F379-V401 HydrophobicContact CE2-CG1 4.37Å; N398-V401 HydrophobicContact CB-CG2 4.38Å; N398-V401 PolarHBondContact O-N 2.9Å; V401-Q403 VanDerWaalsContact C-N 3.32Å; V401-Q403 PolarHBondContact O-N 3.18Å; V401-L404 PolarHBondContact O-N 3.42Å; V401-H405 PolarHBondContact O-ND1 2.92Å
402E55Low64.2Low108 Ų10876.8 Ų76.851%0.50544%0.437SS..THydrogen-bonded Turntrans-65.4-33.7178.1-67.6-179.3-172.200112.5L404 R406E402-L404 VanDerWaalsContact C-N 3.33Å; E402-L404 PolarHBondContact O-N 3.4Å; E402-R406 WeakPolarHBondContact O-CG 3.46Å; E402-R406 IonicContact OE2-NH2 3.23Å
403Q65.3Low67.3Low117 Ų11771.2 Ų71.255%0.54740%0.403SS..G310 helixtrans-72-27.5179.3-68.4-170.7-19.200112.9V401 H405 R406V401-Q403 VanDerWaalsContact C-N 3.32Å; V401-Q403 PolarHBondContact O-N 3.18Å; Q403-H405 PolarHBondContact O-N 3.25Å; Q403-R406 PolarHBondContact O-N 3.16Å
404L78.4Confident70.4Confident94 Ų9463.3 Ų63.349%0.49237%0.367SS..G310 helixtrans-67.3-19.2-177.9-66.4172.2000113.5V401 E402 N463 A465V401-L404 PolarHBondContact O-N 3.42Å; E402-L404 VanDerWaalsContact C-N 3.33Å; E402-L404 PolarHBondContact O-N 3.4Å; L404-N463 PolarHBondContact O-ND2 3.34Å; L404-A465 HydrophobicContact CD2-CB 4.04Å
405H89.7Confident73.6Confident26 Ų2658 Ų5812%0.1233%0.333CS..G310 helixtrans-113.98.7-177.1-50.3100.5000112.8M378 F379 V401 Q403 Y407M378-H405 HydrophobicContact CB-CB 4.37Å; M378-H405 WeakPolarHBondContact CB-O 3.12Å; M378-H405 PolarHBondContact N-O 3.4Å; F379-H405 HydrophobicContact CB-CB 3.95Å; F379-H405 AromaticContact CD2-CE1 3.71Å; F379-H405 AromaticContact CD2-ND1 3.47Å; F379-H405 WeakPolarHBondContact CD2-ND1 3.49Å; V401-H405 PolarHBondContact O-ND1 2.92Å; Q403-H405 PolarHBondContact O-N 3.25Å; H405-Y407 WeakPolarHBondContact O-CD2 3.33Å
406R94Very high76.5Confident110 Ų11051.4 Ų51.442%0.41531%0.308SS..EExtended strand (participates in β ladder)trans-91.8132.4175.9-72.9-179.6-173.4-179.26.8110.9L376 E402 Q403 L464L376-R406 WeakPolarHBondContact O-CA 3.27Å; E402-R406 WeakPolarHBondContact O-CG 3.46Å; E402-R406 IonicContact OE2-NH2 3.23Å; Q403-R406 PolarHBondContact O-N 3.16Å; R406-L464 HydrophobicContact CB-CD1 3.91Å; R406-L464 HydrophobicContact CB-CG 4.49Å; R406-L464 PolarHBondContact O-N 3.49Å
407Y96.2Very high79.4Confident1 Ų147.5 Ų47.50%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-126.2140.2-172.4-85.7-94.5000110.1L345 P346 V349 N375 L376 M378 H405 R462 N463L345-Y407 HydrophobicContact CB-CE2 4.38Å; L345-Y407 WeakPolarHBondContact CB-OH 3.33Å; L345-Y407 HydrophobicContact CD1-CE2 3.7Å; P346-Y407 WeakPolarHBondContact O-CE1 3.38Å; P346-Y407 PolarHBondContact O-OH 2.93Å; V349-Y407 HydrophobicContact CB-CD1 4.33Å; V349-Y407 HydrophobicContact CB-CE1 4.19Å; V349-Y407 HydrophobicContact CG2-CD1 3.92Å; V349-Y407 HydrophobicContact CG2-CE1 3.4Å; N375-Y407 CarbonylContact C-O 3.5Å; N375-Y407 WeakPolarHBondContact CA-O 3.33Å; L376-Y407 PolarHBondContact N-O 3.27Å; L376-Y407 PolarHBondContact O-N 3.42Å; M378-Y407 HydrophobicContact CB-CD2 4.29Å; M378-Y407 HydrophobicContact CB-CE2 4.46Å; M378-Y407 HydrophobicContact CG-CD2 3.7Å; M378-Y407 HydrophobicContact CG-CE2 4.16Å; M378-Y407 HydrophobicContact CG-CG 4.37Å; H405-Y407 WeakPolarHBondContact O-CD2 3.33Å; Y407-R462 CarbonylContact C-O 3.52Å; Y407-R462 VanDerWaalsContact CA-O 3.27Å; Y407-R462 WeakPolarHBondContact CA-O 3.46Å; Y407-R462 VanDerWaalsContact CD1-C 3.47Å; Y407-N463 HydrophobicContact CD1-CB 4.24Å; Y407-N463 HydrophobicContact CE1-CB 3.63Å; Y407-N463 HydrophobicContact CE2-CB 4.24Å; Y407-N463 PolarHBondContact OH-ND2 3.48Å
408L95.4Very high81.9Confident16 Ų1648.9 Ų48.98%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-113.4127.3178.7-172.969.9000110.2E374 N375 Y410 R429 Y461 R462 L464E374-L408 HydrophobicContact CG-CD1 4.07Å; N375-L408 WeakPolarHBondContact OD1-CD1 3.46Å; L408-Y410 PolarHBondContact O-N 2.99Å; L408-R429 VanDerWaalsContact CD1-NH1 3.32Å; L408-Y461 VanDerWaalsContact C-CD1 3.48Å; L408-Y461 CarbonylContact O-C 3.59Å; L408-Y461 VanDerWaalsContact O-CA 3.29Å; L408-Y461 WeakPolarHBondContact O-CA 3.41Å; L408-R462 HydrophobicContact CB-CG 4.27Å; L408-R462 PolarHBondContact N-O 3.37Å; L408-R462 PolarHBondContact O-N 3.02Å; L408-L464 HydrophobicContact CB-CD2 3.69Å; L408-L464 HydrophobicContact CB-CG 4.28Å; L408-L464 HydrophobicContact CD2-CD2 4.15Å; L408-L464 HydrophobicContact CG-CD2 4.44Å
409L98Very high83.9Confident0 Ų046.1 Ų46.10%025%0.254CS..EExtended strand (participates in β ladder)trans-64.6125.1174.8-17373.6000109.3F372 E374 V412 R429 W435 M452 L459 Y461F372-L409 HydrophobicContact CD2-CD2 3.73Å; F372-L409 HydrophobicContact CE2-CD2 3.7Å; E374-L409 PolarHBondContact O-N 3.24Å; L409-V412 HydrophobicContact CD1-CG2 4.05Å; L409-V412 HydrophobicContact CD2-CG2 3.82Å; L409-V412 HydrophobicContact CG-CG2 4.17Å; L409-R429 WeakPolarHBondContact O-CD 3.49Å; L409-R429 PolarHBondContact O-NH1 3.09Å; L409-W435 HydrophobicContact CD2-CH2 3.97Å; L409-W435 HydrophobicContact CD2-CZ2 4.32Å; L409-W435 HydrophobicContact CG-CH2 3.97Å; L409-M452 HydrophobicContact CD2-SD 4.19Å; L409-L459 HydrophobicContact CD1-CB 4.23Å; L409-L459 HydrophobicContact CD1-CD2 3.92Å; L409-Y461 HydrophobicContact CB-CD1 3.94Å; L409-Y461 HydrophobicContact CB-CE1 3.57Å; L409-Y461 HydrophobicContact CD1-CD1 4.38Å; L409-Y461 HydrophobicContact CD1-CD2 3.92Å; L409-Y461 HydrophobicContact CD1-CE1 3.99Å; L409-Y461 HydrophobicContact CD1-CE2 3.5Å; L409-Y461 HydrophobicContact CD1-CG 4.34Å; L409-Y461 HydrophobicContact CG-CE1 4.36Å
410Y96.4Very high85.7Confident4 Ų447.4 Ų47.42%0.01625%0.254CS..EExtended strand (participates in β ladder)trans-129.2-18.3174.981.9-79.4000113.7T170 V348 L408 L428 R429 F460 R462T170-Y410 PolarHBondContact OG1-OH 2.86Å; V348-Y410 HydrophobicContact CG1-CE1 3.91Å; V348-Y410 WeakPolarHBondContact CG1-OH 3.42Å; V348-Y410 HydrophobicContact CG2-CE1 4.5Å; L408-Y410 PolarHBondContact O-N 2.99Å; Y410-L428 CarbonylContact O-C 3.58Å; Y410-L428 WeakPolarHBondContact O-CA 3.23Å; Y410-R429 PolarHBondContact O-N 3.32Å; Y410-F460 HydrophobicContact CD1-CB 4.27Å; Y410-F460 VanDerWaalsContact CD1-O 3.24Å; Y410-F460 WeakPolarHBondContact CD1-O 3.18Å; Y410-F460 HydrophobicContact CE1-CB 3.61Å; Y410-F460 PolarHBondContact N-O 2.86Å; Y410-R462 HydrophobicContact CD1-CB 3.98Å; Y410-R462 HydrophobicContact CD1-CG 4.33Å; Y410-R462 HydrophobicContact CE1-CB 4.23Å
411G97.9Very high87.3Confident0 Ų046.2 Ų46.20%025%0.246CC..EExtended strand (participates in β ladder)trans-136.3136.7179.500000112.3Y427 F460G411-Y427 CarbonylContact C-O 2.84Å; G411-Y427 VanDerWaalsContact CA-O 3.31Å; G411-Y427 WeakPolarHBondContact CA-O 3.47Å; G411-F460 PolarHBondContact N-O 2.9Å; G411-F460 VanDerWaalsContact N-O 3.16Å; G411-F460 PolarHBondContact O-N 2.97Å
412V98.6Very high88.9Confident0 Ų044.8 Ų44.80%024%0.24CC..EExtended strand (participates in β ladder)trans-133.5121.5171.4-173.20000109.1F372 L409 S426 Y427 V451 A456 M458 L459F372-V412 HydrophobicContact CE2-CG2 4.2Å; F372-V412 HydrophobicContact CZ-CG1 4.42Å; F372-V412 HydrophobicContact CZ-CG2 4.49Å; L409-V412 HydrophobicContact CD1-CG2 4.05Å; L409-V412 HydrophobicContact CD2-CG2 3.82Å; L409-V412 HydrophobicContact CG-CG2 4.17Å; V412-S426 CarbonylContact O-C 3.54Å; V412-S426 VanDerWaalsContact O-CA 3.29Å; V412-S426 WeakPolarHBondContact O-CA 3.13Å; V412-Y427 HydrophobicContact CB-CD2 4.29Å; V412-Y427 PolarHBondContact N-O 3.18Å; V412-Y427 PolarHBondContact O-N 3.48Å; V412-V451 HydrophobicContact CB-CG1 4.37Å; V412-V451 HydrophobicContact CG2-CG1 3.76Å; V412-A456 HydrophobicContact CG1-CB 3.72Å; V412-M458 WeakPolarHBondContact CA-O 3.38Å; V412-L459 HydrophobicContact CB-CD2 4.42Å; V412-L459 HydrophobicContact CG1-CD2 3.9Å; V412-L459 HydrophobicContact CG2-CD2 3.94Å
413V98.5Very high90.8Very high0 Ų042.1 Ų42.10%023%0.228CC..EExtended strand (participates in β ladder)trans-93.1127.2167.8176.80000107.6C162 I163 I166 Y424 I425 Y457 M458 F460C162-V413 HydrophobicContact CB-CG1 4.36Å; I163-V413 HydrophobicContact CD1-CG2 4.41Å; I166-V413 HydrophobicContact CD1-CG2 4.42Å; I166-V413 HydrophobicContact CG1-CG2 4.08Å; V413-Y424 HydrophobicContact CG1-CD1 3.76Å; V413-Y424 HydrophobicContact CG1-CE1 4.44Å; V413-I425 WeakPolarHBondContact CA-O 3.48Å; V413-Y457 HydrophobicContact CG1-CD1 4.32Å; V413-Y457 WeakPolarHBondContact O-CA 3.29Å; V413-Y457 WeakPolarHBondContact O-CB 3.42Å; V413-Y457 PolarHBondContact O-N 3.47Å; V413-M458 HydrophobicContact CB-CB 4Å; V413-M458 HydrophobicContact CB-CG 4.43Å; V413-M458 HydrophobicContact CG2-CB 4.36Å; V413-M458 PolarHBondContact N-O 3.47Å; V413-M458 PolarHBondContact O-N 3.35Å; V413-M458 VanDerWaalsContact O-N 3.14Å; V413-F460 HydrophobicContact CG2-CE2 3.92Å
414N96.6Very high92.4Very high17 Ų1737.3 Ų37.39%0.09121%0.205CC..EExtended strand (participates in β ladder)trans-111.7137174.7161.9-120.1000109.1Y424 I425 Y427 E455N414-Y424 WeakPolarHBondContact O-CA 3.24Å; N414-I425 HydrophobicContact CB-CD1 4.43Å; N414-I425 HydrophobicContact CB-CG1 3.89Å; N414-I425 PolarHBondContact N-O 3.36Å; N414-I425 PolarHBondContact O-N 3.42Å; N414-Y427 HydrophobicContact CB-CE2 4.12Å; N414-E455 PolarHBondContact ND2-O 2.93Å
415H95.5Very high93.3Very high15 Ų1533.2 Ų33.27%0.06918%0.183CC..EExtended strand (participates in β ladder)trans-113116.7173.2-177.6-132.7000109.9K365 Q418 G422 Y424 Y457K365-H415 PolarHBondContact NZ-ND1 3.33Å; K365-H415 VanDerWaalsContact NZ-ND1 3.1Å; K365-H415 PolarHBondContact NZ-O 3.48Å; H415-Q418 PolarHBondContact CE1-O 3.19Å; H415-G422 WeakPolarHBondContact NE2-CA 3.28Å; H415-Y424 HydrophobicContact CB-CD1 3.83Å; H415-Y424 HydrophobicContact CB-CE1 3.53Å; H415-Y424 AromaticContact CD2-CD1 3.9Å; H415-Y424 AromaticContact CD2-CE1 3.65Å; H415-Y424 AromaticContact CD2-CE2 3.79Å; H415-Y424 AromaticContact CD2-CZ 3.58Å; H415-Y424 AromaticContact CG-CE1 3.66Å; H415-Y424 AromaticContact CG-CZ 3.86Å; H415-Y457 HydrophobicContact CB-CG 4.23Å
416S93.1Very high93.7Very high52 Ų5232 Ų3236%0.36418%0.177SC..EExtended strand (participates in β ladder)trans-100.9140.6172.263.60000110G422 H423S416-G422 CarbonylContact O-C 3.5Å; S416-G422 WeakPolarHBondContact O-CA 3.42Å; S416-H423 PolarHBondContact N-O 2.9Å; S416-H423 PolarHBondContact O-N 3.1Å; S416-H423 PolarHBondContact OG-O 3.39Å
417G91Very high93.9Very high33 Ų3327.5 Ų27.534%0.3416%0.161SC..EExtended strand (participates in β ladder)trans119.6-165.5-176.900000114.1K365 S421K365-G417 WeakPolarHBondContact CD-O 3.41Å; K365-G417 PolarHBondContact NZ-O 2.9Å; G417-S421 CarbonylContact C-O 3.6Å; G417-S421 WeakPolarHBondContact CA-O 3.33Å
418Q87.2Confident93.9Very high97 Ų9727.5 Ų27.545%0.45316%0.161SC..  trans-85.3-168.9175-57.7-66.514.800111.5H415 D420 S421H415-Q418 PolarHBondContact CE1-O 3.19Å; Q418-D420 WeakPolarHBondContact CB-OD1 3.42Å; Q418-S421 CarbonylContact C-O 3.5Å; Q418-S421 WeakPolarHBondContact CA-O 3.47Å; Q418-S421 PolarHBondContact N-O 3.01Å
419T82.2Confident93.8Very high47 Ų4728 Ų2829%0.28816%0.162SC..SBendtrans-75.3-38.1-179.7-43.10000112.3V356 K365V356-T419 HydrophobicContact CB-CG2 4.28Å; V356-T419 HydrophobicContact CG1-CG2 3.67Å; V356-T419 HydrophobicContact CG2-CG2 3.64Å; K365-T419 PolarHBondContact N-OG1 3.35Å
420D81.2Confident93.1Very high133 Ų13330.2 Ų30.271%0.71117%0.17SC*.SBendtrans-100.8-11.4-174.861.1-18.5000113.3Q418Q418-D420 WeakPolarHBondContact CB-OD1 3.42Å
421S85.7Confident92.2Very high55 Ų5536.1 Ų36.139%0.38520%0.201SC..SBendtrans-146.8131.6-175.655.20000110.9G417 Q418G417-S421 CarbonylContact C-O 3.6Å; G417-S421 WeakPolarHBondContact CA-O 3.33Å; Q418-S421 CarbonylContact C-O 3.5Å; Q418-S421 WeakPolarHBondContact CA-O 3.47Å; Q418-S421 PolarHBondContact N-O 3.01Å
422G91.7Very high91.2Very high16 Ų1640.5 Ų40.517%0.16523%0.228CC..EExtended strand (participates in β ladder)trans176.8-161.1179.600000114.3Q231 H415 S416Q231-G422 PolarHBondContact NE2-O 3.18Å; Q231-G422 PolarHBondContact OE1-O 3.39Å; H415-G422 WeakPolarHBondContact NE2-CA 3.28Å; S416-G422 CarbonylContact O-C 3.5Å; S416-G422 WeakPolarHBondContact O-CA 3.42Å
423H95Very high90.5Very high51 Ų5145 Ų4524%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-147.8127.6-175.2-171.260.9000110.7C158 S416 N439 D440C158-H423 VanDerWaalsContact CB-CE1 3.45Å; C158-H423 WeakPolarHBondContact CB-CE1 3.37Å; C158-H423 WeakPolarHBondContact CB-ND1 3.28Å; S416-H423 PolarHBondContact N-O 2.9Å; S416-H423 PolarHBondContact O-N 3.1Å; S416-H423 PolarHBondContact OG-O 3.39Å; H423-N439 PolarHBondContact NE2-OD1 2.76Å; H423-D440 IonicContact CE1-OD2 3.94Å; H423-D440 PolarHBondContact CE1-OD2 2.72Å; H423-D440 VanDerWaalsContact CE1-OD2 3.27Å; H423-D440 IonicContact NE2-OD2 3.1Å
424Y97.8Very high89.9Confident17 Ų1748.4 Ų48.47%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-95.3137.8176.8-70.2-79.9000111.3F159 Q232 A234 V413 N414 H415 Y457F159-Y424 HydrophobicContact CB-CD2 3.77Å; F159-Y424 HydrophobicContact CB-CE2 4Å; Q232-Y424 WeakPolarHBondContact O-CE2 3.29Å; A234-Y424 HydrophobicContact CB-CD1 3.91Å; A234-Y424 HydrophobicContact CB-CD2 4.42Å; A234-Y424 HydrophobicContact CB-CE1 3.74Å; A234-Y424 HydrophobicContact CB-CE2 4.28Å; A234-Y424 HydrophobicContact CB-CG 4.25Å; V413-Y424 HydrophobicContact CG1-CD1 3.76Å; V413-Y424 HydrophobicContact CG1-CE1 4.44Å; N414-Y424 WeakPolarHBondContact O-CA 3.24Å; H415-Y424 HydrophobicContact CB-CD1 3.83Å; H415-Y424 HydrophobicContact CB-CE1 3.53Å; H415-Y424 AromaticContact CD2-CD1 3.9Å; H415-Y424 AromaticContact CD2-CE1 3.65Å; H415-Y424 AromaticContact CD2-CE2 3.79Å; H415-Y424 AromaticContact CD2-CZ 3.58Å; H415-Y424 AromaticContact CG-CE1 3.66Å; H415-Y424 AromaticContact CG-CZ 3.86Å; Y424-Y457 HydrophobicContact CD1-CD1 4.35Å; Y424-Y457 AromaticContact CE1-CD1 3.55Å; Y424-Y457 HydrophobicContact CE1-CD1 3.55Å; Y424-Y457 AromaticContact CE1-CE1 3.76Å; Y424-Y457 HydrophobicContact CE1-CE1 3.76Å; Y424-Y457 HydrophobicContact CE1-CG 4.34Å
425I97.9Very high89.8Confident7 Ų747.8 Ų47.84%0.03626%0.264CS..EExtended strand (participates in β ladder)trans-132.4154.6167.464.1175000108.9V413 N414 Y427 R437 N439V413-I425 WeakPolarHBondContact CA-O 3.48Å; N414-I425 HydrophobicContact CB-CD1 4.43Å; N414-I425 HydrophobicContact CB-CG1 3.89Å; N414-I425 PolarHBondContact N-O 3.36Å; N414-I425 PolarHBondContact O-N 3.42Å; I425-Y427 HydrophobicContact CD1-CE2 3.86Å; I425-Y427 WeakPolarHBondContact CD1-OH 3.46Å; I425-Y427 HydrophobicContact CG1-CE2 4.26Å; I425-R437 HydrophobicContact CD1-CG 4.35Å; I425-N439 HydrophobicContact CG2-CB 3.84Å; I425-N439 WeakPolarHBondContact CG2-OD1 3.24Å
426S98.2Very high89.7Confident0 Ų047.2 Ų47.20%026%0.262CS..EExtended strand (participates in β ladder)trans-114145.5170.855.10000111.5Q165 V412 C438Q165-S426 WeakPolarHBondContact CB-OG 3.38Å; V412-S426 CarbonylContact O-C 3.54Å; V412-S426 VanDerWaalsContact O-CA 3.29Å; V412-S426 WeakPolarHBondContact O-CA 3.13Å; S426-C438 PolarHBondContact N-O 3.32Å; S426-C438 PolarHBondContact O-N 3.1Å; S426-C438 WeakPolarHBondContact OG-CB 3.45Å
427Y98.2Very high89.9Confident16 Ų1648.9 Ų48.96%0.06326%0.26CS..EExtended strand (participates in β ladder)trans-107.8133.8165.5-62.2-83.6000108.5G411 V412 N414 I425 L436 R437 V446 V451 C454G411-Y427 CarbonylContact C-O 2.84Å; G411-Y427 VanDerWaalsContact CA-O 3.31Å; G411-Y427 WeakPolarHBondContact CA-O 3.47Å; V412-Y427 HydrophobicContact CB-CD2 4.29Å; V412-Y427 PolarHBondContact N-O 3.18Å; V412-Y427 PolarHBondContact O-N 3.48Å; N414-Y427 HydrophobicContact CB-CE2 4.12Å; I425-Y427 HydrophobicContact CD1-CE2 3.86Å; I425-Y427 WeakPolarHBondContact CD1-OH 3.46Å; I425-Y427 HydrophobicContact CG1-CE2 4.26Å; Y427-L436 CarbonylContact C-O 3.53Å; Y427-L436 WeakPolarHBondContact CA-O 3.44Å; Y427-R437 HydrophobicContact CD1-CB 3.78Å; Y427-R437 HydrophobicContact CD1-CG 4.11Å; Y427-R437 HydrophobicContact CE1-CB 3.62Å; Y427-R437 HydrophobicContact CE1-CG 3.6Å; Y427-V446 HydrophobicContact CD1-CG2 3.94Å; Y427-V446 HydrophobicContact CE1-CG2 4.18Å; Y427-V451 HydrophobicContact CD1-CG2 3.75Å; Y427-V451 HydrophobicContact CD2-CG1 4.47Å; Y427-V451 HydrophobicContact CE1-CG2 4.4Å; Y427-V451 HydrophobicContact CG-CG1 4.08Å; Y427-V451 HydrophobicContact CG-CG2 4.02Å; Y427-C454 HydrophobicContact CE2-CB 3.92Å
428L96Very high90.1Very high1 Ų147.5 Ų47.51%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-127.9133.5-176.8-66.7176.1000110.9Q165 I166 H169 Y410 W435 L436Q165-L428 HydrophobicContact CB-CD1 3.97Å; I166-L428 HydrophobicContact CD1-CD2 3.58Å; I166-L428 HydrophobicContact CG1-CD2 4.35Å; H169-L428 HydrophobicContact CB-CD1 3.85Å; H169-L428 HydrophobicContact CB-CD2 4.08Å; H169-L428 HydrophobicContact CB-CG 4.49Å; H169-L428 VanDerWaalsContact CG-CD1 3.44Å; H169-L428 VanDerWaalsContact ND1-CD1 3.29Å; H169-L428 WeakPolarHBondContact ND1-CD1 3.16Å; Y410-L428 CarbonylContact O-C 3.58Å; Y410-L428 WeakPolarHBondContact O-CA 3.23Å; L428-W435 VanDerWaalsContact C-CE3 3.42Å; L428-W435 CarbonylContact O-C 3.57Å; L428-W435 WeakPolarHBondContact O-CA 3.4Å; L428-L436 PolarHBondContact N-O 2.9Å; L428-L436 PolarHBondContact O-N 2.8Å
429R93.6Very high90.5Very high28 Ų2843.9 Ų43.911%0.10623%0.229CC..EExtended strand (participates in β ladder)trans-89.9125172.3-170.3-169.9-173.9130.38.2109.4E374 L408 L409 Y410 N433 W435E374-R429 IonicContact OE1-CZ 3.48Å; E374-R429 IonicContact OE1-NH1 2.58Å; E374-R429 PolarHBondContact OE1-NH1 3.35Å; E374-R429 IonicContact OE1-NH2 3.53Å; E374-R429 PolarHBondContact OE1-NH2 3.35Å; L408-R429 VanDerWaalsContact CD1-NH1 3.32Å; L409-R429 WeakPolarHBondContact O-CD 3.49Å; L409-R429 PolarHBondContact O-NH1 3.09Å; Y410-R429 PolarHBondContact O-N 3.32Å; R429-N433 VanDerWaalsContact CZ-OD1 3.22Å; R429-N433 PolarHBondContact NE-OD1 2.81Å; R429-N433 PolarHBondContact NH2-OD1 2.89Å; R429-W435 HydrophobicContact CB-CD2 4.06Å; R429-W435 HydrophobicContact CB-CE3 4Å; R429-W435 HydrophobicContact CB-CH2 3.74Å; R429-W435 HydrophobicContact CB-CZ2 3.79Å; R429-W435 HydrophobicContact CB-CZ3 3.84Å; R429-W435 HydrophobicContact CG-CD2 4.44Å; R429-W435 HydrophobicContact CG-CZ2 4.07Å
430R82.8Confident91Very high46 Ų4642.4 Ų42.417%0.17422%0.219CC..  trans-78.2161170.8-60.5-178.670.8-163.3-0.5111I148 T432 N433 Q434 L436I148-R430 HydrophobicContact CD1-CG 4.26Å; R430-T432 PolarHBondContact O-N 3.35Å; R430-T432 VanDerWaalsContact O-N 3.12Å; R430-N433 WeakPolarHBondContact O-CA 3.37Å; R430-N433 PolarHBondContact O-N 3.39Å; R430-Q434 WeakPolarHBondContact CB-O 3.48Å; R430-Q434 WeakPolarHBondContact CG-O 3.23Å; R430-Q434 PolarHBondContact N-O 2.88Å; R430-L436 HydrophobicContact CG-CD1 3.83Å; R430-L436 HydrophobicContact CG-CG 4.02Å
431L77.1Confident91.3Very high128 Ų12839.7 Ų39.767%0.6720%0.204SC*.THydrogen-bonded Turntrans-52-30.5167.1-77.7170.3000113.5E171 N433E171-L431 WeakPolarHBondContact OE1-CD2 3.31Å; E171-L431 WeakPolarHBondContact OE1-CG 3.46Å; L431-N433 PolarHBondContact O-N 3.07Å
432T77.6Confident91.5Very high91 Ų9142 Ų4256%0.55821%0.21SC*.THydrogen-bonded Turntrans-78.17.5175.758.60000113.8R430 Q434R430-T432 PolarHBondContact O-N 3.35Å; R430-T432 VanDerWaalsContact O-N 3.12Å; T432-Q434 PolarHBondContact O-N 3.15Å; T432-Q434 VanDerWaalsContact O-N 3.16Å
433N83Confident91.5Very high96 Ų9643.4 Ų43.451%0.51321%0.214SC..SBendtrans62.48.4-172.7-66.7-49.2000115.8R429 R430 L431R429-N433 VanDerWaalsContact CZ-OD1 3.22Å; R429-N433 PolarHBondContact NE-OD1 2.81Å; R429-N433 PolarHBondContact NH2-OD1 2.89Å; R430-N433 WeakPolarHBondContact O-CA 3.37Å; R430-N433 PolarHBondContact O-N 3.39Å; L431-N433 PolarHBondContact O-N 3.07Å
434Q86.3Confident91.3Very high70 Ų7043.9 Ų43.933%0.32722%0.22SC..  trans-77.4135.5171.2-178.4178.568.500110.3R430 T432 V445R430-Q434 WeakPolarHBondContact CB-O 3.48Å; R430-Q434 WeakPolarHBondContact CG-O 3.23Å; R430-Q434 PolarHBondContact N-O 2.88Å; T432-Q434 PolarHBondContact O-N 3.15Å; T432-Q434 VanDerWaalsContact O-N 3.16Å; Q434-V445 HydrophobicContact CG-CG1 3.61Å; Q434-V445 HydrophobicContact CG-CG2 4.27Å
435W94.4Very high91.1Very high5 Ų547.3 Ų47.32%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-92.3139.2174.5-75.191.2000111.4L409 L428 R429 V445 V446 V451L409-W435 HydrophobicContact CD2-CH2 3.97Å; L409-W435 HydrophobicContact CD2-CZ2 4.32Å; L409-W435 HydrophobicContact CG-CH2 3.97Å; L428-W435 VanDerWaalsContact C-CE3 3.42Å; L428-W435 CarbonylContact O-C 3.57Å; L428-W435 WeakPolarHBondContact O-CA 3.4Å; R429-W435 HydrophobicContact CB-CD2 4.06Å; R429-W435 HydrophobicContact CB-CE3 4Å; R429-W435 HydrophobicContact CB-CH2 3.74Å; R429-W435 HydrophobicContact CB-CZ2 3.79Å; R429-W435 HydrophobicContact CB-CZ3 3.84Å; R429-W435 HydrophobicContact CG-CD2 4.44Å; R429-W435 HydrophobicContact CG-CZ2 4.07Å; W435-V445 WeakPolarHBondContact O-CA 3.19Å; W435-V446 HydrophobicContact CB-CG2 3.88Å; W435-V446 PolarHBondContact O-N 3.34Å; W435-V451 HydrophobicContact CB-CG2 3.87Å; W435-V451 HydrophobicContact CD2-CB 4.3Å; W435-V451 HydrophobicContact CD2-CG1 4.25Å; W435-V451 HydrophobicContact CD2-CG2 3.79Å; W435-V451 HydrophobicContact CE3-CB 4.33Å; W435-V451 HydrophobicContact CE3-CG1 3.87Å; W435-V451 HydrophobicContact CE3-CG2 3.83Å; W435-V451 HydrophobicContact CG-CG2 3.83Å; W435-V451 HydrophobicContact CH2-CG1 4.18Å; W435-V451 HydrophobicContact CZ3-CG1 3.84Å
436L93.6Very high91Very high3 Ų348.2 Ų48.22%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-113.2143.3173.5-56.8174.9000109I148 Y427 L428 R430 I443 T444 V445I148-L436 HydrophobicContact CD1-CD1 3.42Å; I148-L436 VanDerWaalsContact CD1-CD1 3.42Å; I148-L436 HydrophobicContact CG1-CD1 3.77Å; I148-L436 HydrophobicContact CG2-CD1 3.99Å; Y427-L436 CarbonylContact C-O 3.53Å; Y427-L436 WeakPolarHBondContact CA-O 3.44Å; L428-L436 PolarHBondContact N-O 2.9Å; L428-L436 PolarHBondContact O-N 2.8Å; R430-L436 HydrophobicContact CG-CD1 3.83Å; R430-L436 HydrophobicContact CG-CG 4.02Å; L436-I443 HydrophobicContact CB-CG2 4.2Å; L436-I443 HydrophobicContact CD1-CG2 4.29Å; L436-I443 HydrophobicContact CD2-CG2 4.39Å; L436-T444 CarbonylContact C-O 3.5Å; L436-T444 VanDerWaalsContact CA-O 3.32Å; L436-T444 WeakPolarHBondContact CA-O 3.26Å; L436-V445 HydrophobicContact CD2-CG2 3.92Å
437R96.7Very high90.9Very high87 Ų8757.6 Ų57.633%0.32828%0.284SS..EExtended strand (participates in β ladder)trans-104.8114.8164.4177-177.1175-1360.2107.6I425 Y427 I443 T444 V446I425-R437 HydrophobicContact CD1-CG 4.35Å; Y427-R437 HydrophobicContact CD1-CB 3.78Å; Y427-R437 HydrophobicContact CD1-CG 4.11Å; Y427-R437 HydrophobicContact CE1-CB 3.62Å; Y427-R437 HydrophobicContact CE1-CG 3.6Å; R437-I443 WeakPolarHBondContact O-CA 3.42Å; R437-T444 PolarHBondContact N-O 3.5Å; R437-T444 PolarHBondContact O-N 3.44Å; R437-V446 HydrophobicContact CB-CG1 3.6Å; R437-V446 HydrophobicContact CB-CG2 4.18Å
438C96Very high90.8Very high3 Ų360.5 Ų60.52%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-101.5101.9178.5-54.10000108.5Q165 S426 I443Q165-C438 HydrophobicContact CB-CB 4.47Å; Q165-C438 HydrophobicContact CG-CB 4.02Å; S426-C438 PolarHBondContact N-O 3.32Å; S426-C438 PolarHBondContact O-N 3.1Å; S426-C438 WeakPolarHBondContact OG-CB 3.45Å; C438-I443 HydrophobicContact CB-CD1 3.66Å
439N95.3Very high90.8Very high22 Ų2265.8 Ų65.812%0.11832%0.322CS..EExtended strand (participates in β ladder)trans-116.587.5177.9-178.812.9000108.4H423 I425 N441 M442H423-N439 PolarHBondContact NE2-OD1 2.76Å; I425-N439 HydrophobicContact CG2-CB 3.84Å; I425-N439 WeakPolarHBondContact CG2-OD1 3.24Å; N439-N441 PolarHBondContact O-N 2.91Å; N439-M442 PolarHBondContact N-O 3.46Å; N439-M442 PolarHBondContact O-N 3.47Å
440D93.1Very high91Very high15 Ų1567.8 Ų67.88%0.0834%0.337CS..THydrogen-bonded Turntrans48.3-112.4-172.5-64-36.6000111.7G150 L151 N153 N161 H423 M442G150-D440 CarbonylContact C-O 3.5Å; G150-D440 VanDerWaalsContact CA-O 3.26Å; G150-D440 WeakPolarHBondContact CA-O 3.41Å; L151-D440 PolarHBondContact N-O 2.84Å; L151-D440 CarbonylContact O-C 3.52Å; L151-D440 VanDerWaalsContact O-CA 3.26Å; L151-D440 WeakPolarHBondContact O-CA 3.34Å; L151-D440 WeakPolarHBondContact O-CB 3.44Å; N153-D440 HydrophobicContact CB-CB 4.06Å; N153-D440 WeakPolarHBondContact CB-OD2 3.29Å; N153-D440 PolarHBondContact ND2-OD2 2.85Å; N161-D440 PolarHBondContact ND2-OD1 2.89Å; H423-D440 IonicContact CE1-OD2 3.94Å; H423-D440 PolarHBondContact CE1-OD2 2.72Å; H423-D440 VanDerWaalsContact CE1-OD2 3.27Å; H423-D440 IonicContact NE2-OD2 3.1Å; D440-M442 VanDerWaalsContact C-N 3.27Å; D440-M442 PolarHBondContact O-N 2.98Å
441N87.3Confident91.7Very high76 Ų7665.6 Ų65.641%0.40633%0.329SS..THydrogen-bonded Turntrans-77.6-13.2-176.565.8-24.8000112.8L151 L209 N439L151-N441 WeakPolarHBondContact O-CA 3.43Å; L151-N441 PolarHBondContact O-N 3.48Å; L209-N441 HydrophobicContact CD1-CB 4Å; L209-N441 HydrophobicContact CD2-CB 3.78Å; L209-N441 WeakPolarHBondContact CD2-O 3.36Å; L209-N441 HydrophobicContact CG-CB 4.49Å; N439-N441 PolarHBondContact O-N 2.91Å
442M89.9Confident92.7Very high104 Ų10461.1 Ų61.151%0.51231%0.305SS..EExtended strand (participates in β ladder)trans-101.6112.5-178.5-68.1-170.6-70.800111.2N439 D440N439-M442 PolarHBondContact N-O 3.46Å; N439-M442 PolarHBondContact O-N 3.47Å; D440-M442 VanDerWaalsContact C-N 3.27Å; D440-M442 PolarHBondContact O-N 2.98Å
443I91Very high93.5Very high45 Ų4562.2 Ų62.223%0.23131%0.307CS..EExtended strand (participates in β ladder)trans-105.8125169.1-45.2-57.1000109.1I148 L436 R437 C438I148-I443 HydrophobicContact CG2-CB 4.21Å; I148-I443 HydrophobicContact CG2-CG1 4.24Å; I148-I443 HydrophobicContact CG2-CG2 3.61Å; L436-I443 HydrophobicContact CB-CG2 4.2Å; L436-I443 HydrophobicContact CD1-CG2 4.29Å; L436-I443 HydrophobicContact CD2-CG2 4.39Å; R437-I443 WeakPolarHBondContact O-CA 3.42Å; C438-I443 HydrophobicContact CB-CD1 3.66Å
444T92.5Very high94Very high62 Ų6258.1 Ų58.138%0.3829%0.286SS..EExtended strand (participates in β ladder)trans-131.7143.2-17951.40000110.8L436 R437L436-T444 CarbonylContact C-O 3.5Å; L436-T444 VanDerWaalsContact CA-O 3.32Å; L436-T444 WeakPolarHBondContact CA-O 3.26Å; R437-T444 PolarHBondContact N-O 3.5Å; R437-T444 PolarHBondContact O-N 3.44Å
445V92.6Very high94.4Very high88 Ų8857 Ų5753%0.53328%0.281SS..EExtended strand (participates in β ladder)trans-73.4132.6170.6175.30000108.7Q434 W435 L436Q434-V445 HydrophobicContact CG-CG1 3.61Å; Q434-V445 HydrophobicContact CG-CG2 4.27Å; W435-V445 WeakPolarHBondContact O-CA 3.19Å; L436-V445 HydrophobicContact CD2-CG2 3.92Å
446V95.8Very high94.5Very high27 Ų2756.8 Ų56.816%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-127.6159177.1-64.60000110.9Y427 W435 R437 V451Y427-V446 HydrophobicContact CD1-CG2 3.94Å; Y427-V446 HydrophobicContact CE1-CG2 4.18Å; W435-V446 HydrophobicContact CB-CG2 3.88Å; W435-V446 PolarHBondContact O-N 3.34Å; R437-V446 HydrophobicContact CB-CG1 3.6Å; R437-V446 HydrophobicContact CB-CG2 4.18Å; V446-V451 HydrophobicContact CG2-CG2 3.84Å
447R96.4Very high94.7Very high196 Ų19657.1 Ų57.174%0.7428%0.281SS*.  trans-77.4151.5174.3-60.3-171.5178.9122.40.5110.1E449 T450 V451R447-E449 VanDerWaalsContact CB-OE2 3.3Å; R447-E449 WeakPolarHBondContact CB-OE2 3.27Å; R447-E449 PolarHBondContact O-N 3.23Å; R447-T450 WeakPolarHBondContact O-CB 3.4Å; R447-T450 PolarHBondContact O-N 2.54Å; R447-V451 PolarHBondContact O-N 3.2Å
448K96.3Very high94.8Very high78 Ų7853 Ų5334%0.33927%0.266SS..Hα-helixtrans-53.5-41.7175.5175.6-177.5162.3-171.70111E374 T450 V451 M452E374-K448 IonicContact OE1-NZ 3.78Å; E374-K448 VanDerWaalsContact OE2-CE 3.23Å; E374-K448 WeakPolarHBondContact OE2-CE 3.47Å; E374-K448 IonicContact OE2-NZ 3.21Å; E374-K448 PolarHBondContact OE2-NZ 2.81Å; K448-T450 PolarHBondContact O-N 3.35Å; K448-V451 WeakPolarHBondContact O-CA 3.42Å; K448-V451 WeakPolarHBondContact O-CB 3.24Å; K448-V451 PolarHBondContact O-N 3.09Å; K448-M452 HydrophobicContact CG-CG 3.89Å; K448-M452 HydrophobicContact CG-SD 4.43Å; K448-M452 WeakPolarHBondContact O-CG 3.37Å; K448-M452 PolarHBondContact O-N 2.84Å
449E96.8Very high94.9Very high112 Ų11252.9 Ų52.952%0.52327%0.265SS..Hα-helixtrans-60.1-34.1-178.8-61.368.9-143.100112R447 V451 N453R447-E449 VanDerWaalsContact CB-OE2 3.3Å; R447-E449 WeakPolarHBondContact CB-OE2 3.27Å; R447-E449 PolarHBondContact O-N 3.23Å; E449-V451 VanDerWaalsContact C-N 3.33Å; E449-N453 WeakPolarHBondContact O-CB 3.44Å; E449-N453 PolarHBondContact O-N 3.11Å; E449-N453 PolarHBondContact O-ND2 2.79Å
450T96.8Very high95.1Very high70 Ų7051.8 Ų51.843%0.42926%0.259SS..Hα-helixtrans-64.3-40.6174.6-55.30000111.2R447 K448 C454R447-T450 WeakPolarHBondContact O-CB 3.4Å; R447-T450 PolarHBondContact O-N 2.54Å; K448-T450 PolarHBondContact O-N 3.35Å; T450-C454 PolarHBondContact O-N 2.81Å
451V97.5Very high95.3Very high0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-69-47.6178.6-1740000110.6F372 V412 Y427 W435 V446 R447 K448 E449 N453 C454F372-V451 WeakPolarHBondContact CZ-O 3.42Å; V412-V451 HydrophobicContact CB-CG1 4.37Å; V412-V451 HydrophobicContact CG2-CG1 3.76Å; Y427-V451 HydrophobicContact CD1-CG2 3.75Å; Y427-V451 HydrophobicContact CD2-CG1 4.47Å; Y427-V451 HydrophobicContact CE1-CG2 4.4Å; Y427-V451 HydrophobicContact CG-CG1 4.08Å; Y427-V451 HydrophobicContact CG-CG2 4.02Å; W435-V451 HydrophobicContact CB-CG2 3.87Å; W435-V451 HydrophobicContact CD2-CB 4.3Å; W435-V451 HydrophobicContact CD2-CG1 4.25Å; W435-V451 HydrophobicContact CD2-CG2 3.79Å; W435-V451 HydrophobicContact CE3-CB 4.33Å; W435-V451 HydrophobicContact CE3-CG1 3.87Å; W435-V451 HydrophobicContact CE3-CG2 3.83Å; W435-V451 HydrophobicContact CG-CG2 3.83Å; W435-V451 HydrophobicContact CH2-CG1 4.18Å; W435-V451 HydrophobicContact CZ3-CG1 3.84Å; V446-V451 HydrophobicContact CG2-CG2 3.84Å; R447-V451 PolarHBondContact O-N 3.2Å; K448-V451 WeakPolarHBondContact O-CA 3.42Å; K448-V451 WeakPolarHBondContact O-CB 3.24Å; K448-V451 PolarHBondContact O-N 3.09Å; E449-V451 VanDerWaalsContact C-N 3.33Å; V451-N453 PolarHBondContact O-N 2.85Å; V451-N453 VanDerWaalsContact O-N 3.16Å; V451-C454 PolarHBondContact O-N 2.81Å; V451-C454 VanDerWaalsContact O-N 3.14Å; V451-C454 PolarHBondContact O-SG 2.81Å
452M97.1Very high95.6Very high33 Ų3348.5 Ų48.516%0.16324%0.24CC..Hα-helixtrans-65.2-20.4-177.7-57.7-50.2-6700113.6F369 F372 E374 L409 K448F369-M452 VanDerWaalsContact CZ-O 3.3Å; F369-M452 WeakPolarHBondContact CZ-O 3.44Å; F372-M452 HydrophobicContact CD2-CE 3.95Å; F372-M452 HydrophobicContact CD2-SD 4.46Å; F372-M452 HydrophobicContact CE2-CE 4.12Å; F372-M452 HydrophobicContact CE2-SD 4.09Å; F372-M452 WeakPolarHBondContact O-CE 3.31Å; E374-M452 HydrophobicContact CB-CE 4.36Å; L409-M452 HydrophobicContact CD2-SD 4.19Å; K448-M452 HydrophobicContact CG-CG 3.89Å; K448-M452 HydrophobicContact CG-SD 4.43Å; K448-M452 WeakPolarHBondContact O-CG 3.37Å; K448-M452 PolarHBondContact O-N 2.84Å
453N95.5Very high95.7Very high114 Ų11444.4 Ų44.461%0.6122%0.22SC*.THydrogen-bonded Turntrans-102.810.1179-68.4-59000113.5E449 V451E449-N453 WeakPolarHBondContact O-CB 3.44Å; E449-N453 PolarHBondContact O-N 3.11Å; E449-N453 PolarHBondContact O-ND2 2.79Å; V451-N453 PolarHBondContact O-N 2.85Å; V451-N453 VanDerWaalsContact O-N 3.16Å
454C94.3Very high95.4Very high10 Ų1045.1 Ų45.17%0.06822%0.224CC..SBendtrans-81.6157.6178.3800000112.8Y427 T450 V451 A456Y427-C454 HydrophobicContact CE2-CB 3.92Å; T450-C454 PolarHBondContact O-N 2.81Å; V451-C454 PolarHBondContact O-N 2.81Å; V451-C454 VanDerWaalsContact O-N 3.14Å; V451-C454 PolarHBondContact O-SG 2.81Å; C454-A456 VanDerWaalsContact C-N 3.27Å; C454-A456 PolarHBondContact O-N 2.82Å
455E93.5Very high94.6Very high46 Ų4643.7 Ų43.722%0.21522%0.218CC..  trans-77.177.5173.5-170.2-173.2155.100109.9R355 K365 N414 Y457R355-E455 IonicContact NH1-OE1 2.72Å; K365-E455 WeakPolarHBondContact CE-OE1 3.36Å; K365-E455 IonicContact NZ-OE1 3.74Å; N414-E455 PolarHBondContact ND2-O 2.93Å; E455-Y457 PolarHBondContact O-N 2.73Å
456A97Very high93Very high1 Ų141.5 Ų41.51%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-58.4133.9-177.500000111.6L353 R355 F372 V412 C454 L459L353-A456 HydrophobicContact CD1-CB 4.34Å; L353-A456 WeakPolarHBondContact CD1-O 3.21Å; R355-A456 PolarHBondContact NE-O 3.36Å; R355-A456 PolarHBondContact NH2-O 2.85Å; F372-A456 HydrophobicContact CD1-CB 3.97Å; F372-A456 HydrophobicContact CE1-CB 3.48Å; F372-A456 VanDerWaalsContact CE1-CB 3.48Å; F372-A456 HydrophobicContact CZ-CB 4.12Å; V412-A456 HydrophobicContact CG1-CB 3.72Å; C454-A456 VanDerWaalsContact C-N 3.27Å; C454-A456 PolarHBondContact O-N 2.82Å; A456-L459 HydrophobicContact CB-CD1 4.48Å; A456-L459 HydrophobicContact CB-CD2 3.7Å; A456-L459 HydrophobicContact CB-CG 4.06Å
457Y97.7Very high90.7Very high11 Ų1145.2 Ų45.24%0.04322%0.223CC..EExtended strand (participates in β ladder)trans-103.9-48.3172.5177.5-120000110.7D233 A234 H235 H352 L353 V413 H415 Y424 E455D233-Y457 PolarHBondContact OD1-OH 3.3Å; D233-Y457 PolarHBondContact OD2-OH 2.99Å; A234-Y457 HydrophobicContact CB-CE1 4.4Å; H235-Y457 HydrophobicContact CB-CE1 4.08Å; H352-Y457 AromaticContact CD2-CE2 3.57Å; H352-Y457 AromaticContact CD2-CZ 3.68Å; H352-Y457 AromaticContact NE2-CE2 3.29Å; H352-Y457 VanDerWaalsContact NE2-CE2 3.29Å; H352-Y457 WeakPolarHBondContact NE2-CE2 3.45Å; H352-Y457 AromaticContact NE2-CZ 3.44Å; H352-Y457 PolarHBondContact NE2-OH 3.43Å; L353-Y457 PolarHBondContact N-O 3.34Å; V413-Y457 HydrophobicContact CG1-CD1 4.32Å; V413-Y457 WeakPolarHBondContact O-CA 3.29Å; V413-Y457 WeakPolarHBondContact O-CB 3.42Å; V413-Y457 PolarHBondContact O-N 3.47Å; H415-Y457 HydrophobicContact CB-CG 4.23Å; Y424-Y457 HydrophobicContact CD1-CD1 4.35Å; Y424-Y457 AromaticContact CE1-CD1 3.55Å; Y424-Y457 HydrophobicContact CE1-CD1 3.55Å; Y424-Y457 AromaticContact CE1-CE1 3.76Å; Y424-Y457 HydrophobicContact CE1-CE1 3.76Å; Y424-Y457 HydrophobicContact CE1-CG 4.34Å; E455-Y457 PolarHBondContact O-N 2.73Å
458M98.6Very high87.7Confident0 Ų042.9 Ų42.90%023%0.23CC..EExtended strand (participates in β ladder)trans-127.2144.4171.1-51.4167.969.800110.3I163 A234 H235 Y238 C350 F351 V412 V413 F460I163-M458 HydrophobicContact CD1-CE 4.29Å; I163-M458 HydrophobicContact CD1-SD 4.04Å; A234-M458 HydrophobicContact CB-SD 4.37Å; H235-M458 HydrophobicContact CB-CE 4.25Å; H235-M458 HydrophobicContact CB-SD 4.02Å; Y238-M458 HydrophobicContact CD1-CE 4.14Å; Y238-M458 HydrophobicContact CG-CE 3.95Å; C350-M458 VanDerWaalsContact SG-CE 3.55Å; F351-M458 CarbonylContact O-C 3.53Å; F351-M458 WeakPolarHBondContact O-CA 3.44Å; V412-M458 WeakPolarHBondContact CA-O 3.38Å; V413-M458 HydrophobicContact CB-CB 4Å; V413-M458 HydrophobicContact CB-CG 4.43Å; V413-M458 HydrophobicContact CG2-CB 4.36Å; V413-M458 PolarHBondContact N-O 3.47Å; V413-M458 PolarHBondContact O-N 3.35Å; V413-M458 VanDerWaalsContact O-N 3.14Å; M458-F460 HydrophobicContact CB-CE2 3.84Å; M458-F460 HydrophobicContact CB-CZ 4.46Å; M458-F460 HydrophobicContact CE-CE2 4.2Å; M458-F460 HydrophobicContact CE-CZ 3.71Å
459L98.8Very high87.3Confident0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-125.3128.5178.9-61.6158.7000109.1L306 C350 F351 L353 F372 L409 V412 A456 Y461L306-L459 HydrophobicContact CD1-CD1 3.92Å; L306-L459 HydrophobicContact CD2-CD1 4.01Å; C350-L459 WeakPolarHBondContact CA-O 3.3Å; F351-L459 HydrophobicContact CB-CB 4.26Å; F351-L459 HydrophobicContact CD2-CB 4.45Å; F351-L459 PolarHBondContact N-O 3.16Å; F351-L459 PolarHBondContact O-N 3Å; L353-L459 HydrophobicContact CD1-CD1 4.45Å; F372-L459 HydrophobicContact CB-CD1 3.91Å; F372-L459 HydrophobicContact CB-CD2 4.34Å; F372-L459 HydrophobicContact CD1-CD1 4.25Å; F372-L459 HydrophobicContact CD1-CD2 3.91Å; F372-L459 HydrophobicContact CD2-CD2 3.74Å; F372-L459 HydrophobicContact CE1-CD2 4.14Å; F372-L459 HydrophobicContact CE2-CD2 3.95Å; F372-L459 HydrophobicContact CG-CD1 4.09Å; F372-L459 HydrophobicContact CG-CD2 3.71Å; F372-L459 HydrophobicContact CZ-CD2 4.14Å; L409-L459 HydrophobicContact CD1-CB 4.23Å; L409-L459 HydrophobicContact CD1-CD2 3.92Å; V412-L459 HydrophobicContact CB-CD2 4.42Å; V412-L459 HydrophobicContact CG1-CD2 3.9Å; V412-L459 HydrophobicContact CG2-CD2 3.94Å; A456-L459 HydrophobicContact CB-CD1 4.48Å; A456-L459 HydrophobicContact CB-CD2 3.7Å; A456-L459 HydrophobicContact CB-CG 4.06Å; L459-Y461 HydrophobicContact CB-CD2 4.29Å; L459-Y461 HydrophobicContact CB-CE2 3.8Å
460F98.6Very high86.8Confident0 Ų037.4 Ų37.40%021%0.209CC..EExtended strand (participates in β ladder)trans-113.6119.9179.7-64.8-96000109.5I166 Y238 V348 V349 C350 Y410 G411 V413 M458I166-F460 HydrophobicContact CB-CE2 4.49Å; I166-F460 HydrophobicContact CD1-CD2 3.7Å; I166-F460 HydrophobicContact CD1-CE2 4.05Å; I166-F460 HydrophobicContact CD1-CG 4.27Å; I166-F460 HydrophobicContact CG1-CD2 4.18Å; I166-F460 HydrophobicContact CG1-CE2 4.03Å; I166-F460 HydrophobicContact CG2-CB 4.5Å; I166-F460 HydrophobicContact CG2-CD1 3.65Å; I166-F460 HydrophobicContact CG2-CD2 3.89Å; I166-F460 HydrophobicContact CG2-CE1 3.68Å; I166-F460 HydrophobicContact CG2-CE2 3.91Å; I166-F460 HydrophobicContact CG2-CG 3.74Å; I166-F460 HydrophobicContact CG2-CZ 3.79Å; Y238-F460 HydrophobicContact CD2-CE1 4.02Å; Y238-F460 HydrophobicContact CD2-CZ 4.16Å; Y238-F460 AromaticContact CE2-CE1 3.64Å; Y238-F460 HydrophobicContact CE2-CE1 3.64Å; Y238-F460 HydrophobicContact CE2-CZ 4.24Å; V348-F460 HydrophobicContact CG1-CD1 4.4Å; V349-F460 WeakPolarHBondContact O-CA 3.44Å; C350-F460 HydrophobicContact CB-CD1 4.1Å; C350-F460 HydrophobicContact CB-CE1 3.89Å; Y410-F460 HydrophobicContact CD1-CB 4.27Å; Y410-F460 VanDerWaalsContact CD1-O 3.24Å; Y410-F460 WeakPolarHBondContact CD1-O 3.18Å; Y410-F460 HydrophobicContact CE1-CB 3.61Å; Y410-F460 PolarHBondContact N-O 2.86Å; G411-F460 PolarHBondContact N-O 2.9Å; G411-F460 VanDerWaalsContact N-O 3.16Å; G411-F460 PolarHBondContact O-N 2.97Å; V413-F460 HydrophobicContact CG2-CE2 3.92Å; M458-F460 HydrophobicContact CB-CE2 3.84Å; M458-F460 HydrophobicContact CB-CZ 4.46Å; M458-F460 HydrophobicContact CE-CE2 4.2Å; M458-F460 HydrophobicContact CE-CZ 3.71Å
461Y97.9Very high86.2Confident0 Ų035.6 Ų35.60%020%0.196CC..EExtended strand (participates in β ladder)trans-118137.1177.4-71-104.2000110.6L306 V348 V349 F351 P373 L376 L408 L409 L459L306-Y461 HydrophobicContact CD2-CE2 3.9Å; L306-Y461 WeakPolarHBondContact CD2-OH 3.44Å; V348-Y461 CarbonylContact C-O 3.56Å; V348-Y461 VanDerWaalsContact CA-O 3.26Å; V348-Y461 WeakPolarHBondContact CA-O 3.04Å; V349-Y461 PolarHBondContact N-O 3.28Å; V349-Y461 PolarHBondContact O-N 2.81Å; F351-Y461 AromaticContact CD2-CD2 3.8Å; F351-Y461 HydrophobicContact CD2-CD2 3.8Å; F351-Y461 AromaticContact CD2-CE2 3.88Å; F351-Y461 HydrophobicContact CD2-CE2 3.88Å; F351-Y461 AromaticContact CE2-CD2 3.81Å; F351-Y461 HydrophobicContact CE2-CD2 3.81Å; F351-Y461 HydrophobicContact CE2-CE2 4.04Å; P373-Y461 WeakPolarHBondContact O-CE1 3.39Å; P373-Y461 PolarHBondContact O-OH 3.35Å; L376-Y461 HydrophobicContact CB-CD1 3.94Å; L376-Y461 HydrophobicContact CB-CE1 3.67Å; L376-Y461 HydrophobicContact CD2-CD1 4.41Å; L376-Y461 HydrophobicContact CD2-CD2 4.5Å; L376-Y461 HydrophobicContact CD2-CE1 4.28Å; L376-Y461 HydrophobicContact CD2-CE2 4.33Å; L408-Y461 VanDerWaalsContact C-CD1 3.48Å; L408-Y461 CarbonylContact O-C 3.59Å; L408-Y461 VanDerWaalsContact O-CA 3.29Å; L408-Y461 WeakPolarHBondContact O-CA 3.41Å; L409-Y461 HydrophobicContact CB-CD1 3.94Å; L409-Y461 HydrophobicContact CB-CE1 3.57Å; L409-Y461 HydrophobicContact CD1-CD1 4.38Å; L409-Y461 HydrophobicContact CD1-CD2 3.92Å; L409-Y461 HydrophobicContact CD1-CE1 3.99Å; L409-Y461 HydrophobicContact CD1-CE2 3.5Å; L409-Y461 HydrophobicContact CD1-CG 4.34Å; L409-Y461 HydrophobicContact CG-CE1 4.36Å; L459-Y461 HydrophobicContact CB-CD2 4.29Å; L459-Y461 HydrophobicContact CB-CE2 3.8Å
462R93.9Very high85.6Confident21 Ų2137.6 Ų37.68%0.07921%0.208CC..EExtended strand (participates in β ladder)trans-99.7143.2172.271.2-175.6-168.8-166.711.2110.8E171 Y407 L408 Y410 E467E171-R462 IonicContact OE1-CZ 3.9Å; E171-R462 IonicContact OE1-NH1 2.83Å; E171-R462 PolarHBondContact OE1-NH1 2.88Å; E171-R462 IonicContact OE1-NH2 3.98Å; E171-R462 IonicContact OE2-CZ 3.27Å; E171-R462 IonicContact OE2-NH1 3.55Å; E171-R462 PolarHBondContact OE2-NH1 3.44Å; Y407-R462 CarbonylContact C-O 3.52Å; Y407-R462 VanDerWaalsContact CA-O 3.27Å; Y407-R462 WeakPolarHBondContact CA-O 3.46Å; Y407-R462 VanDerWaalsContact CD1-C 3.47Å; L408-R462 HydrophobicContact CB-CG 4.27Å; L408-R462 PolarHBondContact N-O 3.37Å; L408-R462 PolarHBondContact O-N 3.02Å; Y410-R462 HydrophobicContact CD1-CB 3.98Å; Y410-R462 HydrophobicContact CD1-CG 4.33Å; Y410-R462 HydrophobicContact CE1-CB 4.23Å; R462-E467 IonicContact CZ-OE1 3.09Å; R462-E467 IonicContact NE-OE1 2.81Å; R462-E467 PolarHBondContact NE-OE1 3.4Å; R462-E467 VanDerWaalsContact NE-OE1 3.1Å; R462-E467 IonicContact NH2-OE1 2.74Å; R462-E467 PolarHBondContact NH2-OE1 3.19Å
463N91.8Very high84.8Confident18 Ų1837.9 Ų37.910%0.09621%0.211CC..EExtended strand (participates in β ladder)trans-68133.8174.3-167.9-45.4000109.8A347 L404 Y407 A465 S466A347-N463 PolarHBondContact O-N 3.49Å; L404-N463 PolarHBondContact O-ND2 3.34Å; Y407-N463 HydrophobicContact CD1-CB 4.24Å; Y407-N463 HydrophobicContact CE1-CB 3.63Å; Y407-N463 HydrophobicContact CE2-CB 4.24Å; Y407-N463 PolarHBondContact OH-ND2 3.48Å; N463-A465 PolarHBondContact O-N 3Å; N463-A465 WeakPolarHBondContact OD1-CA 3.34Å; N463-A465 VanDerWaalsContact OD1-CB 3.3Å; N463-A465 WeakPolarHBondContact OD1-CB 3.39Å; N463-A465 PolarHBondContact OD1-N 3.46Å; N463-S466 WeakPolarHBondContact CB-OG 3.31Å; N463-S466 PolarHBondContact O-N 3.33Å; N463-S466 PolarHBondContact O-OG 3.34Å
464L85.3Confident84.1Confident61 Ų6132.9 Ų32.932%0.31918%0.184SC..THydrogen-bonded Turntrans-71.6-20.3178.1-71.9180000113.1R406 L408R406-L464 HydrophobicContact CB-CD1 3.91Å; R406-L464 HydrophobicContact CB-CG 4.49Å; R406-L464 PolarHBondContact O-N 3.49Å; L408-L464 HydrophobicContact CB-CD2 3.69Å; L408-L464 HydrophobicContact CB-CG 4.28Å; L408-L464 HydrophobicContact CD2-CD2 4.15Å; L408-L464 HydrophobicContact CG-CD2 4.44Å
465A74.6Confident83.4Confident31 Ų3134.5 Ų34.526%0.25619%0.192SC..THydrogen-bonded Turntrans-86.7-14.9176.100000113.4L404 N463 E467 V468L404-A465 HydrophobicContact CD2-CB 4.04Å; N463-A465 PolarHBondContact O-N 3Å; N463-A465 WeakPolarHBondContact OD1-CA 3.34Å; N463-A465 VanDerWaalsContact OD1-CB 3.3Å; N463-A465 WeakPolarHBondContact OD1-CB 3.39Å; N463-A465 PolarHBondContact OD1-N 3.46Å; A465-E467 VanDerWaalsContact C-N 3.26Å; A465-E467 PolarHBondContact O-N 3.44Å; A465-V468 WeakPolarHBondContact O-CG2 3.29Å
466S60.1Low82.6Confident42 Ų4233.6 Ų33.629%0.29419%0.191SC..THydrogen-bonded Turntrans-83.31.8177.159.80000113.8N463 V468N463-S466 WeakPolarHBondContact CB-OG 3.31Å; N463-S466 PolarHBondContact O-N 3.33Å; N463-S466 PolarHBondContact O-OG 3.34Å; S466-V468 PolarHBondContact O-N 3.35Å
467E46.6Very low81.4Confident105 Ų10536.3 Ų36.349%0.49121%0.206SC..THydrogen-bonded Turntrans-78.29.9167.8-69.4-176.7-173.900113.2R462 A465R462-E467 IonicContact CZ-OE1 3.09Å; R462-E467 IonicContact NE-OE1 2.81Å; R462-E467 PolarHBondContact NE-OE1 3.4Å; R462-E467 VanDerWaalsContact NE-OE1 3.1Å; R462-E467 IonicContact NH2-OE1 2.74Å; R462-E467 PolarHBondContact NH2-OE1 3.19Å; A465-E467 VanDerWaalsContact C-N 3.26Å; A465-E467 PolarHBondContact O-N 3.44Å
468V33.3Very low79.9Confident147 Ų14738.6 Ų38.689%0.89122%0.221SC*.  trans-101.10-171.7-178.70000113.3K114 A465 S466K114-V468 PolarHBondContact NZ-OXT 2.77Å; A465-V468 WeakPolarHBondContact O-CG2 3.29Å; S466-V468 PolarHBondContact O-N 3.35Å

Retrieved 468 of 468 residues in 202 ms (Link to these results)

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