A0A087Y2B0_POEFO Loading...

Mitochondrial Rho GTPase

Atypical mitochondrial nucleoside-triphosphatase (NTPase) involved in mitochondrial trafficking. Probably involved in control of anterograde transport of mitochondria and their subcellular distribution. Can hydrolyze GTP, ATP and UTP.

AlphaFold DB , UniProt , Accession A0A087Y2B0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 660 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
1M57.3Low88.5Confident149 Ų14949.5 Ų49.573%0.73423%0.225SC*.  0137.20-144.5171.7151.900108.1
2R70.2Confident89.1Confident111 Ų11148.5 Ų48.542%0.41922%0.22SC..  trans-62.5144-179.7-69.4-170.7-179.5-150.22.4110.7N76R2-N76 VanDerWaalsContact NH1-CG 3.31Å; R2-N76 PolarHBondContact NH1-ND2 3.09Å
3K78.9Confident89.4Confident184 Ų18450.5 Ų50.580%0.824%0.24SC*.SBendtrans-87.3-19.9-174.6-68.4-175.7178.1178.40113P52K3-P52 VanDerWaalsContact O-CD 3.3Å; K3-P52 WeakPolarHBondContact O-CD 3.41Å
4D90.7Very high89.7Confident74 Ų7460.8 Ų60.840%0.39628%0.284SS..  trans-157.6158.2-175.358.4-46.5000109.3P52D4-P52 WeakPolarHBondContact CA-O 3.42Å
5V94.3Very high90.1Very high0 Ų056.9 Ų56.90%027%0.266CS..EExtended strand (participates in β ladder)trans-126.6128.5175.5176.10000109.6I7 V51 P52 T53 H54 N76 V77 Q163 V166 L167V5-I7 HydrophobicContact CG1-CG1 4.26Å; V5-V51 HydrophobicContact CG2-CG1 3.99Å; V5-P52 PolarHBondContact N-O 3.4Å; V5-T53 CarbonylContact O-C 3.51Å; V5-T53 VanDerWaalsContact O-CA 3.3Å; V5-T53 WeakPolarHBondContact O-CA 3.05Å; V5-H54 PolarHBondContact O-N 3.05Å; V5-N76 WeakPolarHBondContact CA-OD1 3.42Å; V5-N76 HydrophobicContact CG1-CB 4.45Å; V5-V77 HydrophobicContact CG1-CG1 4.45Å; V5-Q163 HydrophobicContact CB-CG 4.45Å; V5-Q163 HydrophobicContact CG2-CG 4.2Å; V5-V166 HydrophobicContact CG1-CB 4.23Å; V5-V166 HydrophobicContact CG1-CG1 4.44Å; V5-V166 HydrophobicContact CG1-CG2 4.01Å; V5-V166 HydrophobicContact CG2-CB 4.43Å; V5-V166 HydrophobicContact CG2-CG1 4.23Å; V5-L167 HydrophobicContact CG2-CD2 3.93Å; V5-L167 HydrophobicContact CG2-CG 4.11Å
6R95.9Very high90.4Very high24 Ų2454.1 Ų54.19%0.09126%0.257CS..EExtended strand (participates in β ladder)trans-109.3116176.8-166.5172-164.7-90.9-0.2112.2E39 H54 V56 E71 N76 V77R6-E39 IonicContact CZ-OE2 3.12Å; R6-E39 IonicContact NE-OE2 3.89Å; R6-E39 IonicContact NH2-OE2 2.75Å; R6-E39 PolarHBondContact NH2-OE2 2.79Å; R6-H54 CarbonylContact C-O 3.58Å; R6-H54 WeakPolarHBondContact CA-O 3.38Å; R6-H54 HydrophobicContact CB-CB 4.31Å; R6-H54 HydrophobicContact CG-CB 4.04Å; R6-V56 HydrophobicContact CG-CG2 4Å; R6-E71 IonicContact CZ-OE2 3.67Å; R6-E71 PolarHBondContact NH1-O 2.79Å; R6-E71 IonicContact NH1-OE2 2.59Å; R6-E71 PolarHBondContact NH1-OE2 3.32Å; R6-E71 IonicContact NH2-OE1 3.39Å; R6-E71 IonicContact NH2-OE2 3.19Å; R6-E71 PolarHBondContact NH2-OE2 3.49Å; R6-N76 PolarHBondContact N-OD1 2.92Å; R6-N76 PolarHBondContact O-N 3.43Å; R6-V77 PolarHBondContact O-N 3.08Å
7I97.2Very high90.8Very high0 Ų051.8 Ų51.80%025%0.246CC..EExtended strand (participates in β ladder)trans-102.5119.5179.7-51.7177.2000108.9V5 L9 T53 H54 I55 V56 V77 F159 A162V5-I7 HydrophobicContact CG1-CG1 4.26Å; I7-L9 HydrophobicContact CG2-CD1 3.97Å; I7-T53 HydrophobicContact CD1-CG2 3.38Å; I7-T53 HydrophobicContact CG1-CG2 3.85Å; I7-H54 PolarHBondContact N-O 3.09Å; I7-I55 HydrophobicContact CD1-CG1 4.49Å; I7-V56 PolarHBondContact O-N 3.22Å; I7-V77 HydrophobicContact CB-CG1 4.07Å; I7-V77 HydrophobicContact CG1-CG1 3.64Å; I7-V77 HydrophobicContact CG2-CG1 4.14Å; I7-F159 HydrophobicContact CD1-CB 4.5Å; I7-F159 HydrophobicContact CD1-CD1 3.94Å; I7-A162 HydrophobicContact CD1-CB 3.69Å; I7-A162 HydrophobicContact CG1-CB 4.16Å; I7-A162 HydrophobicContact CG2-CB 4.15Å
8L97.7Very high91Very high0 Ų049.7 Ų49.70%024%0.237CC..EExtended strand (participates in β ladder)trans-103128.7174.2176.665.3000110.7V10 V56 E71 I72 A75 V77 I78 C79L8-V10 HydrophobicContact CD1-CG1 4.46Å; L8-V10 HydrophobicContact CD2-CG1 3.82Å; L8-V10 HydrophobicContact CG-CG1 3.82Å; L8-V56 HydrophobicContact CD1-CB 3.9Å; L8-V56 HydrophobicContact CD1-CG1 3.69Å; L8-E71 HydrophobicContact CD1-CB 3.94Å; L8-E71 HydrophobicContact CD2-CB 3.95Å; L8-I72 HydrophobicContact CD2-CG1 3.92Å; L8-A75 HydrophobicContact CB-CB 3.86Å; L8-A75 HydrophobicContact CD2-CB 4.34Å; L8-V77 PolarHBondContact N-O 2.66Å; L8-I78 HydrophobicContact CB-CG1 4.32Å; L8-I78 HydrophobicContact CD2-CG1 4.39Å; L8-I78 CarbonylContact O-C 3.6Å; L8-I78 WeakPolarHBondContact O-CA 3.28Å; L8-C79 PolarHBondContact O-N 3.24Å
9L98.1Very high91.3Very high0 Ų047.8 Ų47.80%023%0.229CC..EExtended strand (participates in β ladder)trans-98.8121.6172.2-79.875.6000110.3I7 K17 L20 I21 I55 V56 Y58 C79 V81 F159I7-L9 HydrophobicContact CG2-CD1 3.97Å; L9-K17 HydrophobicContact CB-CB 4.38Å; L9-K17 HydrophobicContact CD2-CB 4.44Å; L9-L20 HydrophobicContact CD2-CB 4.44Å; L9-L20 HydrophobicContact CD2-CD1 4.38Å; L9-I21 HydrophobicContact CD1-CD1 4.38Å; L9-I21 HydrophobicContact CD1-CG1 4.48Å; L9-I21 HydrophobicContact CD2-CD1 4.04Å; L9-I21 HydrophobicContact CD2-CG1 3.84Å; L9-I55 HydrophobicContact CD1-CG2 3.9Å; L9-V56 PolarHBondContact N-O 3.01Å; L9-Y58 WeakPolarHBondContact O-CB 3.32Å; L9-Y58 PolarHBondContact O-N 3.45Å; L9-C79 WeakPolarHBondContact CA-O 3.31Å; L9-C79 HydrophobicContact CD1-CB 4.4Å; L9-C79 HydrophobicContact CG-CB 4.05Å; L9-V81 HydrophobicContact CB-CG2 4.49Å; L9-V81 HydrophobicContact CD2-CG2 4.19Å; L9-V81 HydrophobicContact CG-CG2 4.37Å; L9-F159 HydrophobicContact CD1-CE1 4.01Å
10V97.4Very high91.6Very high0 Ų045.4 Ų45.40%022%0.218CC..EExtended strand (participates in β ladder)trans-125.8166.8176.2-58.70000111.2L8 K17 L68 I78 C79 I80 V81 W97 I101L8-V10 HydrophobicContact CD1-CG1 4.46Å; L8-V10 HydrophobicContact CD2-CG1 3.82Å; L8-V10 HydrophobicContact CG-CG1 3.82Å; V10-K17 VanDerWaalsContact C-CD 3.41Å; V10-L68 HydrophobicContact CG1-CD1 4.06Å; V10-I78 HydrophobicContact CG1-CG2 4.29Å; V10-I78 HydrophobicContact CG2-CG2 3.64Å; V10-C79 PolarHBondContact N-O 3.08Å; V10-I80 HydrophobicContact CG2-CB 4.38Å; V10-I80 HydrophobicContact CG2-CG1 3.94Å; V10-I80 HydrophobicContact CG2-CG2 4.49Å; V10-V81 PolarHBondContact O-N 3.16Å; V10-W97 HydrophobicContact CB-CD2 4.49Å; V10-W97 HydrophobicContact CB-CE3 3.75Å; V10-W97 HydrophobicContact CB-CH2 4.33Å; V10-W97 HydrophobicContact CB-CZ3 3.66Å; V10-W97 HydrophobicContact CG1-CZ3 4.24Å; V10-W97 HydrophobicContact CG2-CD2 4.39Å; V10-W97 HydrophobicContact CG2-CE3 3.82Å; V10-W97 HydrophobicContact CG2-CZ3 4.26Å; V10-I101 HydrophobicContact CG2-CD1 4.27Å
11G96.2Very high91.8Very high3 Ų343.2 Ų43.23%0.03121%0.207CC..  trans141168.8-177.800000113K17 V81 W97G11-K17 PolarHBondContact O-NZ 3.34Å; G11-V81 WeakPolarHBondContact CA-O 3.48Å; G11-W97 VanDerWaalsContact CA-CE2 3.44Å; G11-W97 WeakPolarHBondContact O-CZ2 3.45Å
12E95.6Very high93.6Very high37 Ų3738.9 Ų38.917%0.17319%0.186CC..SBendtrans-58158.9-175.5-65.4-63.8101.200113.2V15 K17 K92 W97E12-V15 HydrophobicContact CB-CG1 3.81Å; E12-V15 WeakPolarHBondContact O-CG1 3.38Å; E12-V15 WeakPolarHBondContact O-CG2 3.25Å; E12-K17 PolarHBondContact O-NZ 3.26Å; E12-K92 HydrophobicContact CG-CB 3.88Å; E12-K92 HydrophobicContact CG-CG 3.93Å; E12-W97 PolarHBondContact OE1-NE1 3.07Å
13P93.3Very high94.8Very high74 Ų7433.7 Ų33.748%0.48117%0.167SC..THydrogen-bonded Turntrans-55142.1171.4-26.235.2000112.4V15P13-V15 PolarHBondContact O-N 2.72Å
14K93Very high95.5Very high195 Ų19526.6 Ų26.685%0.84814%0.137SC*.THydrogen-bonded Turntrans64.213.2176-52.4178.4179.3177.20116.3G16 K119K14-G16 PolarHBondContact O-N 2.62Å; K14-K119 WeakPolarHBondContact O-CE 3.42Å; K14-K119 PolarHBondContact O-NZ 3.22Å
15V95.6Very high95.5Very high2 Ų227.2 Ų27.21%0.01214%0.144CC..SBendtrans-72.4-16.7170.8-60.10000113.4E12 P13 K17 V81 A83 N118E12-V15 HydrophobicContact CB-CG1 3.81Å; E12-V15 WeakPolarHBondContact O-CG1 3.38Å; E12-V15 WeakPolarHBondContact O-CG2 3.25Å; P13-V15 PolarHBondContact O-N 2.72Å; V15-K17 HydrophobicContact CG2-CD 4.38Å; V15-K17 HydrophobicContact CG2-CG 3.74Å; V15-V81 HydrophobicContact CB-CG1 4.31Å; V15-V81 HydrophobicContact CG2-CB 3.93Å; V15-V81 HydrophobicContact CG2-CG1 3.82Å; V15-V81 WeakPolarHBondContact CG2-O 3.34Å; V15-A83 HydrophobicContact CB-CB 4.39Å; V15-A83 HydrophobicContact CG1-CB 4.32Å; V15-N118 PolarHBondContact O-ND2 3.32Å
16G95.1Very high95.3Very high12 Ų1230 Ų3012%0.12416%0.163CC..SBendtrans100.530.2171.900000115.4K14 S19 L20 N118K14-G16 PolarHBondContact O-N 2.62Å; G16-S19 PolarHBondContact O-N 2.93Å; G16-L20 WeakPolarHBondContact O-CG 3.29Å; G16-L20 PolarHBondContact O-N 3.38Å; G16-N118 PolarHBondContact O-ND2 3.35Å
17K96.4Very high95.1Very high16 Ų1636.2 Ų36.27%0.0719%0.193CC..Hα-helixtrans-54.8-58.4175.4-55.2-171.4-63-80.40112.1L9 V10 G11 E12 V15 S19 L20 I21 D57 Y58 V81L9-K17 HydrophobicContact CB-CB 4.38Å; L9-K17 HydrophobicContact CD2-CB 4.44Å; V10-K17 VanDerWaalsContact C-CD 3.41Å; G11-K17 PolarHBondContact O-NZ 3.34Å; E12-K17 PolarHBondContact O-NZ 3.26Å; V15-K17 HydrophobicContact CG2-CD 4.38Å; V15-K17 HydrophobicContact CG2-CG 3.74Å; K17-S19 VanDerWaalsContact C-N 3.27Å; K17-S19 PolarHBondContact O-N 3.5Å; K17-L20 WeakPolarHBondContact O-CB 3.38Å; K17-L20 PolarHBondContact O-N 2.91Å; K17-L20 VanDerWaalsContact O-N 3.08Å; K17-I21 PolarHBondContact O-N 3.28Å; K17-D57 WeakPolarHBondContact CB-OD1 3.38Å; K17-Y58 WeakPolarHBondContact CE-O 3.45Å; K17-V81 HydrophobicContact CG-CB 3.9Å; K17-V81 HydrophobicContact CG-CG1 4.38Å; K17-V81 HydrophobicContact CG-CG2 3.92Å
18T96.1Very high94.8Very high14 Ų1443 Ų439%0.08623%0.225CC..Hα-helixtrans-58.1-37.6177.3-41.10000112.6I21 M22 V33 P34 V37 D57T18-I21 PolarHBondContact O-N 3.23Å; T18-M22 HydrophobicContact CG2-CG 4.39Å; T18-M22 WeakPolarHBondContact O-CB 3.44Å; T18-M22 VanDerWaalsContact O-CG 3.29Å; T18-M22 WeakPolarHBondContact O-CG 3.2Å; T18-M22 PolarHBondContact O-N 3.39Å; T18-V33 HydrophobicContact CG2-CG1 3.84Å; T18-P34 HydrophobicContact CG2-CG 4.04Å; T18-V37 HydrophobicContact CG2-CB 4.5Å; T18-V37 HydrophobicContact CG2-CG1 3.71Å; T18-V37 HydrophobicContact CG2-CG2 4.31Å; T18-D57 WeakPolarHBondContact CA-OD2 3.38Å; T18-D57 VanDerWaalsContact CB-OD2 3.25Å; T18-D57 WeakPolarHBondContact CB-OD2 3.17Å; T18-D57 WeakPolarHBondContact CG2-OD2 3.37Å; T18-D57 PolarHBondContact OG1-OD2 2.96Å
19S96.4Very high94.6Very high13 Ų1347.6 Ų47.69%0.09125%0.245CC..Hα-helixtrans-64.9-40.1176.4-52.50000112.4G16 K17 I21 S23G16-S19 PolarHBondContact O-N 2.93Å; K17-S19 VanDerWaalsContact C-N 3.27Å; K17-S19 PolarHBondContact O-N 3.5Å; S19-I21 VanDerWaalsContact C-N 3.32Å; S19-I21 PolarHBondContact O-N 2.88Å; S19-S23 WeakPolarHBondContact O-CB 3.33Å; S19-S23 PolarHBondContact O-N 3.47Å; S19-S23 PolarHBondContact O-OG 3.12Å; S19-S23 VanDerWaalsContact O-OG 3.09Å
20L96.7Very high94.2Very high0 Ų048.2 Ų48.20%025%0.249CC..Hα-helixtrans-60.8-43.1175.8-69166.6000111.2L9 G16 K17 L24 V81 V116 N118 C147 A149 I155 L158L9-L20 HydrophobicContact CD2-CB 4.44Å; L9-L20 HydrophobicContact CD2-CD1 4.38Å; G16-L20 WeakPolarHBondContact O-CG 3.29Å; G16-L20 PolarHBondContact O-N 3.38Å; K17-L20 WeakPolarHBondContact O-CB 3.38Å; K17-L20 PolarHBondContact O-N 2.91Å; K17-L20 VanDerWaalsContact O-N 3.08Å; L20-L24 PolarHBondContact O-N 3.21Å; L20-L24 VanDerWaalsContact O-N 3.08Å; L20-V81 HydrophobicContact CD1-CG1 3.85Å; L20-V81 HydrophobicContact CD1-CG2 4.11Å; L20-V116 HydrophobicContact CD1-CG1 3.92Å; L20-N118 HydrophobicContact CD1-CB 4.38Å; L20-C147 HydrophobicContact CD2-CB 3.9Å; L20-A149 HydrophobicContact CD2-CB 4.1Å; L20-A149 HydrophobicContact CG-CB 4.49Å; L20-I155 HydrophobicContact CD2-CD1 3.33Å; L20-L158 HydrophobicContact CD1-CD2 4.2Å
21I96.1Very high93.8Very high0 Ų057.7 Ų57.70%029%0.293CS..Hα-helixtrans-68.3-49.8-179.2-59.4170.5000110.7L9 K17 T18 S19 S23 L24 V25 V37 I40 I55 D57 F159L9-I21 HydrophobicContact CD1-CD1 4.38Å; L9-I21 HydrophobicContact CD1-CG1 4.48Å; L9-I21 HydrophobicContact CD2-CD1 4.04Å; L9-I21 HydrophobicContact CD2-CG1 3.84Å; K17-I21 PolarHBondContact O-N 3.28Å; T18-I21 PolarHBondContact O-N 3.23Å; S19-I21 VanDerWaalsContact C-N 3.32Å; S19-I21 PolarHBondContact O-N 2.88Å; I21-S23 VanDerWaalsContact C-N 3.31Å; I21-S23 PolarHBondContact O-N 2.95Å; I21-L24 WeakPolarHBondContact O-CB 3.41Å; I21-L24 PolarHBondContact O-N 3.09Å; I21-V25 PolarHBondContact O-N 3.3Å; I21-V37 HydrophobicContact CB-CG2 4.2Å; I21-V37 HydrophobicContact CD1-CG2 4.02Å; I21-V37 HydrophobicContact CG2-CG2 3.81Å; I21-I40 HydrophobicContact CG2-CD1 3.42Å; I21-I40 VanDerWaalsContact CG2-CD1 3.42Å; I21-I40 HydrophobicContact CG2-CG1 4.19Å; I21-I55 HydrophobicContact CD1-CG2 3.87Å; I21-I55 HydrophobicContact CG1-CG2 3.77Å; I21-I55 HydrophobicContact CG2-CG2 4.13Å; I21-D57 HydrophobicContact CD1-CB 3.49Å; I21-D57 VanDerWaalsContact CD1-CB 3.49Å; I21-F159 HydrophobicContact CG1-CZ 4.38Å
22M95.3Very high93.5Very high57 Ų5763.3 Ų63.328%0.28133%0.327SS..Hα-helixtrans-60.4-41.4178.7-74.1-72.2-68.600111.7T18 L24 V25 S26 P30 V37T18-M22 HydrophobicContact CG2-CG 4.39Å; T18-M22 WeakPolarHBondContact O-CB 3.44Å; T18-M22 VanDerWaalsContact O-CG 3.29Å; T18-M22 WeakPolarHBondContact O-CG 3.2Å; T18-M22 PolarHBondContact O-N 3.39Å; M22-L24 VanDerWaalsContact C-N 3.34Å; M22-L24 PolarHBondContact O-N 3.36Å; M22-V25 PolarHBondContact O-N 3.15Å; M22-S26 WeakPolarHBondContact O-CB 3.44Å; M22-S26 PolarHBondContact O-N 2.9Å; M22-S26 PolarHBondContact O-OG 3.11Å; M22-P30 HydrophobicContact CB-CB 4.4Å; M22-P30 HydrophobicContact CB-CG 3.98Å; M22-P30 HydrophobicContact CE-CB 4.49Å; M22-V37 HydrophobicContact CG-CG1 3.94Å; M22-V37 HydrophobicContact SD-CG1 3.68Å
23S94.9Very high93.3Very high3 Ų364.4 Ų64.42%0.02134%0.336CS..Hα-helixtrans-70-28178.3-71.30000113.8S19 I21 E27 E28 P30 A149S19-S23 WeakPolarHBondContact O-CB 3.33Å; S19-S23 PolarHBondContact O-N 3.47Å; S19-S23 PolarHBondContact O-OG 3.12Å; S19-S23 VanDerWaalsContact O-OG 3.09Å; I21-S23 VanDerWaalsContact C-N 3.31Å; I21-S23 PolarHBondContact O-N 2.95Å; S23-E27 WeakPolarHBondContact O-CA 3.36Å; S23-E27 PolarHBondContact O-N 2.85Å; S23-E27 VanDerWaalsContact O-N 3.16Å; S23-E28 WeakPolarHBondContact CA-O 3.48Å; S23-E28 PolarHBondContact OG-O 3.37Å; S23-P30 WeakPolarHBondContact OG-CD 3.45Å; S23-A149 PolarHBondContact OG-O 3.44Å
24L93.1Very high93.2Very high35 Ų3563.7 Ų63.718%0.18333%0.331CS..Hα-helixtrans-64.7-42.9170.1-179.671.9000111.4L20 I21 M22 I42 I55 I155 F159L20-L24 PolarHBondContact O-N 3.21Å; L20-L24 VanDerWaalsContact O-N 3.08Å; I21-L24 WeakPolarHBondContact O-CB 3.41Å; I21-L24 PolarHBondContact O-N 3.09Å; M22-L24 VanDerWaalsContact C-N 3.34Å; M22-L24 PolarHBondContact O-N 3.36Å; L24-I42 HydrophobicContact CD2-CD1 3.74Å; L24-I55 HydrophobicContact CD2-CD1 3.51Å; L24-I155 HydrophobicContact CB-CG2 3.81Å; L24-I155 HydrophobicContact CD1-CG2 4.02Å; L24-F159 HydrophobicContact CB-CD2 4.39Å; L24-F159 HydrophobicContact CB-CE2 3.98Å; L24-F159 HydrophobicContact CD1-CD2 3.86Å; L24-F159 HydrophobicContact CD1-CE2 4.3Å; L24-F159 HydrophobicContact CD2-CD1 4.3Å; L24-F159 HydrophobicContact CD2-CD2 3.46Å; L24-F159 VanDerWaalsContact CD2-CD2 3.46Å; L24-F159 HydrophobicContact CD2-CE1 4.41Å; L24-F159 HydrophobicContact CD2-CE2 3.62Å; L24-F159 HydrophobicContact CD2-CG 3.84Å; L24-F159 HydrophobicContact CD2-CZ 4.09Å; L24-F159 HydrophobicContact CG-CD2 4.1Å; L24-F159 HydrophobicContact CG-CE2 4.17Å
25V91.1Very high93.1Very high87 Ų8762.5 Ų62.553%0.52732%0.323SS..Hα-helixtrans-82.2-39.5-172.6176.50000112.7I21 M22 I40I21-V25 PolarHBondContact O-N 3.3Å; M22-V25 PolarHBondContact O-N 3.15Å; V25-I40 HydrophobicContact CG2-CD1 3.69Å; V25-I40 HydrophobicContact CG2-CG2 3.92Å
26S90.6Very high93Very high57 Ų5765.9 Ų65.940%0.39934%0.335SS..Hα-helixtrans-91.7-10.5-176.860.80000114M22 E28M22-S26 WeakPolarHBondContact O-CB 3.44Å; M22-S26 PolarHBondContact O-N 2.9Å; M22-S26 PolarHBondContact O-OG 3.11Å; S26-E28 PolarHBondContact O-N 3.1Å; S26-E28 VanDerWaalsContact O-N 3.08Å; S26-E28 PolarHBondContact OG-O 3.45Å
27E90.6Very high93Very high156 Ų15666.2 Ų66.273%0.72934%0.335SS*.SBendtrans53.521.9-171.5-59-173.9170.900113.7S23 L152S23-E27 WeakPolarHBondContact O-CA 3.36Å; S23-E27 PolarHBondContact O-N 2.85Å; S23-E27 VanDerWaalsContact O-N 3.16Å; E27-L152 WeakPolarHBondContact O-CD1 3.42Å
28E92.2Very high92.8Very high142 Ų14273.7 Ų73.766%0.66437%0.37SS*.SBendtrans-141.6162.4178.5-67.7-172.4169.500110.8S23 S26S23-E28 WeakPolarHBondContact CA-O 3.48Å; S23-E28 PolarHBondContact OG-O 3.37Å; S26-E28 PolarHBondContact O-N 3.1Å; S26-E28 VanDerWaalsContact O-N 3.08Å; S26-E28 PolarHBondContact OG-O 3.45Å
29F93.4Very high92.7Very high96 Ų9677.3 Ų77.342%0.42139%0.386SS..  trans-83.7123.7175.2-176.2-106.6000110.5E31 A149 K150F29-E31 PolarHBondContact O-N 3.43Å; F29-A149 HydrophobicContact CD2-CB 4.25Å; F29-A149 WeakPolarHBondContact CD2-O 3.4Å; F29-A149 HydrophobicContact CE2-CB 4.17Å; F29-K150 HydrophobicContact CD1-CG 4.43Å; F29-K150 VanDerWaalsContact CD2-CA 3.4Å; F29-K150 HydrophobicContact CD2-CB 4.1Å; F29-K150 HydrophobicContact CE2-CB 4.24Å; F29-K150 HydrophobicContact CG-CB 4.36Å; F29-K150 HydrophobicContact CG-CG 4.35Å
30P89.7Confident92.6Very high14 Ų1478.5 Ų78.59%0.09139%0.391CS..  trans-66.7128.4-178.126.3-36.2000112.3M22 S23 V32 V33M22-P30 HydrophobicContact CB-CB 4.4Å; M22-P30 HydrophobicContact CB-CG 3.98Å; M22-P30 HydrophobicContact CE-CB 4.49Å; S23-P30 WeakPolarHBondContact OG-CD 3.45Å; P30-V32 VanDerWaalsContact C-N 3.34Å; P30-V33 HydrophobicContact CB-CG2 4.2Å; P30-V33 HydrophobicContact CG-CG2 3.77Å
31E88.4Confident92.4Very high198 Ų19882 Ų8293%0.92541%0.412SS*.SBendtrans-66.4-37.1172.8-65.4-169.2163.200112.1F29F29-E31 PolarHBondContact O-N 3.43Å
32V90.5Very high92.2Very high121 Ų12183.6 Ų83.673%0.73342%0.421SS*.SBendtrans-122.1122177.7-177.80000108.7P30P30-V32 VanDerWaalsContact C-N 3.34Å
33V90.4Very high92Very high61 Ų6184.4 Ų84.437%0.3743%0.43SS..  trans-107.4116.9-178.7-172.10000108.6T18 P30T18-V33 HydrophobicContact CG2-CG1 3.84Å; P30-V33 HydrophobicContact CB-CG2 4.2Å; P30-V33 HydrophobicContact CG-CG2 3.77Å
34P92.8Very high91.7Very high59 Ų5985.4 Ų85.438%0.38344%0.439SS..  trans-66.7168.5173.529.5-33.9000110.9T18 R36 V37T18-P34 HydrophobicContact CG2-CG 4.04Å; P34-R36 PolarHBondContact O-N 3.13Å; P34-V37 HydrophobicContact CG-CG1 4.04Å
35Y90.7Very high91.4Very high170 Ų17091.3 Ų91.367%0.66747%0.47SS*.SBendtrans-67.5-25.9176.8-71.8-69.5000112.9S59 A61Y35-S59 WeakPolarHBondContact O-CB 3.47Å; Y35-S59 PolarHBondContact O-OG 2.99Å; Y35-A61 HydrophobicContact CD1-CB 4Å; Y35-A61 HydrophobicContact CG-CB 4.25Å
36R93.4Very high91.1Very high72 Ų7292.2 Ų92.227%0.27248%0.476SS..  trans-157153.8-179.5-172.3-179.9169.9-152.8-5.1109.6P34 D57 E62P34-R36 PolarHBondContact O-N 3.13Å; R36-D57 WeakPolarHBondContact CA-OD2 3.36Å; R36-D57 HydrophobicContact CG-CB 4.18Å; R36-D57 PolarHBondContact NE-O 2.98Å; R36-D57 VanDerWaalsContact NE-O 3.1Å; R36-E62 VanDerWaalsContact CB-OE2 3.28Å; R36-E62 WeakPolarHBondContact CB-OE2 3.45Å
37V93.8Very high90.7Very high19 Ų1990.1 Ų90.112%0.11546%0.461CS..  trans-109.9151.4164.9-720000111.4T18 I21 M22 P34 D57T18-V37 HydrophobicContact CG2-CB 4.5Å; T18-V37 HydrophobicContact CG2-CG1 3.71Å; T18-V37 HydrophobicContact CG2-CG2 4.31Å; I21-V37 HydrophobicContact CB-CG2 4.2Å; I21-V37 HydrophobicContact CD1-CG2 4.02Å; I21-V37 HydrophobicContact CG2-CG2 3.81Å; M22-V37 HydrophobicContact CG-CG1 3.94Å; M22-V37 HydrophobicContact SD-CG1 3.68Å; P34-V37 HydrophobicContact CG-CG1 4.04Å; V37-D57 HydrophobicContact CG2-CB 3.72Å; V37-D57 PolarHBondContact N-OD2 2.64Å
38E92.2Very high90.2Very high174 Ų17487.4 Ų87.481%0.81346%0.456SS*.PPolyproline II helixtrans-62.5159.3170.8-66.8-172.1170.800111.1I40E38-I40 VanDerWaalsContact O-CG1 3.31Å; E38-I40 WeakPolarHBondContact O-CG1 3.43Å; E38-I40 PolarHBondContact O-N 3.01Å
39E93.9Very high89.7Confident89 Ų8983 Ų8342%0.41644%0.436SS..PPolyproline II helixtrans-59.1123.9-179.8-174.3176.1133.600110.6R6 H54 V56R6-E39 IonicContact CZ-OE2 3.12Å; R6-E39 IonicContact NE-OE2 3.89Å; R6-E39 IonicContact NH2-OE2 2.75Å; R6-E39 PolarHBondContact NH2-OE2 2.79Å; E39-H54 HydrophobicContact CG-CB 4.48Å; E39-H54 WeakPolarHBondContact OE1-CB 3.11Å; E39-H54 IonicContact OE1-CG 3.95Å; E39-H54 IonicContact OE1-ND1 3.73Å; E39-H54 PolarHBondContact OE1-ND1 3.25Å; E39-V56 HydrophobicContact CG-CG2 4.01Å
40I94Very high89.4Confident38 Ų3886.3 Ų86.320%0.19545%0.45CS..EExtended strand (participates in β ladder)trans-100.1131.1-178.8-53.9-167.9000108.5I21 V25 E38 H54 I55I21-I40 HydrophobicContact CG2-CD1 3.42Å; I21-I40 VanDerWaalsContact CG2-CD1 3.42Å; I21-I40 HydrophobicContact CG2-CG1 4.19Å; V25-I40 HydrophobicContact CG2-CD1 3.69Å; V25-I40 HydrophobicContact CG2-CG2 3.92Å; E38-I40 VanDerWaalsContact O-CG1 3.31Å; E38-I40 WeakPolarHBondContact O-CG1 3.43Å; E38-I40 PolarHBondContact O-N 3.01Å; I40-H54 CarbonylContact O-C 3.55Å; I40-H54 WeakPolarHBondContact O-CA 3.45Å; I40-I55 PolarHBondContact N-O 3.38Å; I40-I55 PolarHBondContact O-N 3.04Å
41T93.8Very high89.4Confident73 Ų7386.1 Ų86.145%0.44845%0.448SS..EExtended strand (participates in β ladder)trans-108.1118173.9-54.40000109.9P43 T53 H54T41-P43 WeakPolarHBondContact O-CD 2.86Å; T41-T53 CarbonylContact C-O 3.58Å; T41-T53 WeakPolarHBondContact CA-O 3.48Å; T41-H54 PolarHBondContact OG1-CE1 3.48Å; T41-H54 PolarHBondContact OG1-ND1 3.16Å
42I91.1Very high89.6Confident35 Ų3578.5 Ų78.518%0.17942%0.416CS..EExtended strand (participates in β ladder)trans-84.5118.2168-54.8179.6000107.6L24 V46 T47 P52 T53 I55L24-I42 HydrophobicContact CD2-CD1 3.74Å; I42-V46 HydrophobicContact CG2-CB 4.11Å; I42-V46 HydrophobicContact CG2-CG1 4.31Å; I42-T47 HydrophobicContact CB-CG2 4.28Å; I42-T47 HydrophobicContact CG2-CG2 3.65Å; I42-P52 WeakPolarHBondContact O-CA 3.13Å; I42-T53 PolarHBondContact N-O 3.12Å; I42-T53 PolarHBondContact O-N 3.2Å; I42-I55 HydrophobicContact CD1-CD1 3.61Å; I42-I55 HydrophobicContact CG1-CD1 4.16Å
43P90.6Very high89.8Confident73 Ų7373 Ų7347%0.47438%0.383SS..  trans-62.4149.8179.1-21.833.4000112.5T41 D45 V46 T47T41-P43 WeakPolarHBondContact O-CD 2.86Å; P43-D45 PolarHBondContact O-N 3.18Å; P43-D45 VanDerWaalsContact O-N 3.16Å; P43-V46 HydrophobicContact CB-CG2 4.49Å; P43-V46 PolarHBondContact O-N 2.79Å; P43-T47 PolarHBondContact O-N 3.41Å
44A89Confident90.1Very high25 Ų2571.8 Ų71.821%0.20737%0.373CS..G310 helixtrans-50.6-42.4178.400000112.9V46 T47 K50 P52A44-V46 PolarHBondContact O-N 3.03Å; A44-V46 VanDerWaalsContact O-N 3.09Å; A44-T47 PolarHBondContact O-N 2.87Å; A44-T47 PolarHBondContact O-OG1 3.25Å; A44-K50 WeakPolarHBondContact O-CA 3.43Å; A44-P52 HydrophobicContact CB-CG 4.01Å
45D87Confident90.3Very high158 Ų15869 Ų6985%0.84536%0.355SS*.G310 helixtrans-62.7-19.2-176.2-60.5-32.3000114P43P43-D45 PolarHBondContact O-N 3.18Å; P43-D45 VanDerWaalsContact O-N 3.16Å
46V84.4Confident90.6Very high106 Ų10661 Ų6164%0.64232%0.324SS*.G310 helixtrans-97.2-20.1179.9-172.50000111.3I42 P43 A44I42-V46 HydrophobicContact CG2-CB 4.11Å; I42-V46 HydrophobicContact CG2-CG1 4.31Å; P43-V46 HydrophobicContact CB-CG2 4.49Å; P43-V46 PolarHBondContact O-N 2.79Å; A44-V46 PolarHBondContact O-N 3.03Å; A44-V46 VanDerWaalsContact O-N 3.09Å
47T83Confident90.7Very high14 Ų1457.7 Ų57.79%0.08631%0.311CS..SBendtrans-85141.1179.964.60000111.8I42 P43 A44 E49 K50 V51I42-T47 HydrophobicContact CB-CG2 4.28Å; I42-T47 HydrophobicContact CG2-CG2 3.65Å; P43-T47 PolarHBondContact O-N 3.41Å; A44-T47 PolarHBondContact O-N 2.87Å; A44-T47 PolarHBondContact O-OG1 3.25Å; T47-E49 PolarHBondContact O-N 3.08Å; T47-K50 PolarHBondContact O-N 3.04Å; T47-K50 VanDerWaalsContact O-N 3.12Å; T47-K50 WeakPolarHBondContact OG1-CA 3.45Å; T47-K50 PolarHBondContact OG1-N 3.39Å; T47-V51 WeakPolarHBondContact CG2-O 3.42Å; T47-V51 PolarHBondContact OG1-N 3.45Å; T47-V51 PolarHBondContact OG1-O 2.75Å; T47-V51 VanDerWaalsContact OG1-O 3.08Å
48P79.7Confident90.8Very high98 Ų9857.1 Ų57.164%0.63631%0.307SS*.THydrogen-bonded Turntrans-56.5-36.4176.6-25.934.9000113.4K50 Y160P48-K50 VanDerWaalsContact C-N 3.33Å; P48-Y160 HydrophobicContact CB-CE2 4.44Å; P48-Y160 HydrophobicContact CG-CD2 4.19Å; P48-Y160 HydrophobicContact CG-CE2 4.48Å
49E82.3Confident91Very high49 Ų4949.4 Ų49.423%0.22927%0.272CS..THydrogen-bonded Turntrans-85.6-2.7-176.5-63-65.3158.900113.5T47 V51 L167 H168T47-E49 PolarHBondContact O-N 3.08Å; E49-V51 VanDerWaalsContact C-N 3.25Å; E49-V51 PolarHBondContact O-N 2.96Å; E49-L167 HydrophobicContact CB-CD1 3.5Å; E49-L167 HydrophobicContact CG-CD1 3.71Å; E49-H168 IonicContact OE2-NE2 3.76Å
50K86.7Confident90.8Very high167 Ų16751.1 Ų51.173%0.72628%0.281SS*.SBendtrans56.436.5-176-56.8-179.3-179.6178.40113.8A44 T47 P48A44-K50 WeakPolarHBondContact O-CA 3.43Å; T47-K50 PolarHBondContact O-N 3.04Å; T47-K50 VanDerWaalsContact O-N 3.12Å; T47-K50 WeakPolarHBondContact OG1-CA 3.45Å; T47-K50 PolarHBondContact OG1-N 3.39Å; P48-K50 VanDerWaalsContact C-N 3.33Å
51V89.5Confident90.7Very high9 Ų952.8 Ų52.86%0.05530%0.3CS..  trans-123.2125.5178-179.70000109.1V5 T47 E49 T53 Q163 L167V5-V51 HydrophobicContact CG2-CG1 3.99Å; T47-V51 WeakPolarHBondContact CG2-O 3.42Å; T47-V51 PolarHBondContact OG1-N 3.45Å; T47-V51 PolarHBondContact OG1-O 2.75Å; T47-V51 VanDerWaalsContact OG1-O 3.08Å; E49-V51 VanDerWaalsContact C-N 3.25Å; E49-V51 PolarHBondContact O-N 2.96Å; V51-T53 PolarHBondContact O-N 2.96Å; V51-T53 PolarHBondContact O-OG1 2.79Å; V51-Q163 PolarHBondContact O-NE2 3.08Å; V51-L167 HydrophobicContact CB-CD1 4.34Å; V51-L167 HydrophobicContact CG2-CD1 4.05Å; V51-L167 HydrophobicContact CG2-CD2 4.33Å
52P93.1Very high90.7Very high39 Ų3954.4 Ų54.425%0.25330%0.303SS..  trans-55135.2175.3-2031.1000111.4K3 D4 V5 I42 A44K3-P52 VanDerWaalsContact O-CD 3.3Å; K3-P52 WeakPolarHBondContact O-CD 3.41Å; D4-P52 WeakPolarHBondContact CA-O 3.42Å; V5-P52 PolarHBondContact N-O 3.4Å; I42-P52 WeakPolarHBondContact O-CA 3.13Å; A44-P52 HydrophobicContact CB-CG 4.01Å
53T94.6Very high90.8Very high4 Ų453.2 Ų53.23%0.02530%0.296CS..EExtended strand (participates in β ladder)trans-120.5120.3-177.9-58.10000111.1V5 I7 T41 I42 V51 I55 Q163V5-T53 CarbonylContact O-C 3.51Å; V5-T53 VanDerWaalsContact O-CA 3.3Å; V5-T53 WeakPolarHBondContact O-CA 3.05Å; I7-T53 HydrophobicContact CD1-CG2 3.38Å; I7-T53 HydrophobicContact CG1-CG2 3.85Å; T41-T53 CarbonylContact C-O 3.58Å; T41-T53 WeakPolarHBondContact CA-O 3.48Å; I42-T53 PolarHBondContact N-O 3.12Å; I42-T53 PolarHBondContact O-N 3.2Å; V51-T53 PolarHBondContact O-N 2.96Å; V51-T53 PolarHBondContact O-OG1 2.79Å; T53-I55 HydrophobicContact CG2-CG1 4.32Å; T53-Q163 PolarHBondContact OG1-NE2 3.23Å
54H96.3Very high91Very high36 Ų3653.4 Ų53.417%0.16730%0.296CS..EExtended strand (participates in β ladder)trans-94.8124.2177-62.7-88.1000109.3V5 R6 I7 E39 I40 T41V5-H54 PolarHBondContact O-N 3.05Å; R6-H54 CarbonylContact C-O 3.58Å; R6-H54 WeakPolarHBondContact CA-O 3.38Å; R6-H54 HydrophobicContact CB-CB 4.31Å; R6-H54 HydrophobicContact CG-CB 4.04Å; I7-H54 PolarHBondContact N-O 3.09Å; E39-H54 HydrophobicContact CG-CB 4.48Å; E39-H54 WeakPolarHBondContact OE1-CB 3.11Å; E39-H54 IonicContact OE1-CG 3.95Å; E39-H54 IonicContact OE1-ND1 3.73Å; E39-H54 PolarHBondContact OE1-ND1 3.25Å; I40-H54 CarbonylContact O-C 3.55Å; I40-H54 WeakPolarHBondContact O-CA 3.45Å; T41-H54 PolarHBondContact OG1-CE1 3.48Å; T41-H54 PolarHBondContact OG1-ND1 3.16Å
55I96.8Very high91.2Very high1 Ų157.1 Ų57.11%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-113.5125.1179.7-59.7169.7000108.9I7 L9 I21 L24 I40 I42 T53 F159I7-I55 HydrophobicContact CD1-CG1 4.49Å; L9-I55 HydrophobicContact CD1-CG2 3.9Å; I21-I55 HydrophobicContact CD1-CG2 3.87Å; I21-I55 HydrophobicContact CG1-CG2 3.77Å; I21-I55 HydrophobicContact CG2-CG2 4.13Å; L24-I55 HydrophobicContact CD2-CD1 3.51Å; I40-I55 PolarHBondContact N-O 3.38Å; I40-I55 PolarHBondContact O-N 3.04Å; I42-I55 HydrophobicContact CD1-CD1 3.61Å; I42-I55 HydrophobicContact CG1-CD1 4.16Å; T53-I55 HydrophobicContact CG2-CG1 4.32Å; I55-F159 HydrophobicContact CD1-CD1 3.57Å; I55-F159 HydrophobicContact CD1-CE1 3.58Å; I55-F159 HydrophobicContact CD1-CG 4.24Å; I55-F159 HydrophobicContact CD1-CZ 4.26Å; I55-F159 HydrophobicContact CG1-CD1 4.01Å; I55-F159 HydrophobicContact CG1-CE1 3.97Å; I55-F159 HydrophobicContact CG2-CE1 3.72Å; I55-F159 HydrophobicContact CG2-CZ 4.39Å
56V97.1Very high91.5Very high3 Ų356.5 Ų56.52%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-121.7123.4-170.3-173.90000109.1R6 I7 L8 L9 E39R6-V56 HydrophobicContact CG-CG2 4Å; I7-V56 PolarHBondContact O-N 3.22Å; L8-V56 HydrophobicContact CD1-CB 3.9Å; L8-V56 HydrophobicContact CD1-CG1 3.69Å; L9-V56 PolarHBondContact N-O 3.01Å; E39-V56 HydrophobicContact CG-CG2 4.01Å
57D96.6Very high92Very high1 Ų155.2 Ų55.21%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-95.1122.6175.3-163.812000110.4K17 T18 I21 R36 V37 Q63K17-D57 WeakPolarHBondContact CB-OD1 3.38Å; T18-D57 WeakPolarHBondContact CA-OD2 3.38Å; T18-D57 VanDerWaalsContact CB-OD2 3.25Å; T18-D57 WeakPolarHBondContact CB-OD2 3.17Å; T18-D57 WeakPolarHBondContact CG2-OD2 3.37Å; T18-D57 PolarHBondContact OG1-OD2 2.96Å; I21-D57 HydrophobicContact CD1-CB 3.49Å; I21-D57 VanDerWaalsContact CD1-CB 3.49Å; R36-D57 WeakPolarHBondContact CA-OD2 3.36Å; R36-D57 HydrophobicContact CG-CB 4.18Å; R36-D57 PolarHBondContact NE-O 2.98Å; R36-D57 VanDerWaalsContact NE-O 3.1Å; V37-D57 HydrophobicContact CG2-CB 3.72Å; V37-D57 PolarHBondContact N-OD2 2.64Å; D57-Q63 PolarHBondContact O-OE1 2.9Å
58Y96.3Very high92.6Very high7 Ų754.7 Ų54.73%0.02729%0.288CS..  trans-93.3133.6170.3172.8-104.3000111.7L9 K17 E60 Q63 L68 W97L9-Y58 WeakPolarHBondContact O-CB 3.32Å; L9-Y58 PolarHBondContact O-N 3.45Å; K17-Y58 WeakPolarHBondContact CE-O 3.45Å; Y58-E60 HydrophobicContact CE1-CB 4.32Å; Y58-Q63 HydrophobicContact CD2-CB 4.21Å; Y58-Q63 HydrophobicContact CE2-CB 3.82Å; Y58-L68 HydrophobicContact CD1-CD1 4.08Å; Y58-L68 HydrophobicContact CD2-CB 4.13Å; Y58-L68 HydrophobicContact CD2-CD1 3.7Å; Y58-L68 HydrophobicContact CD2-CG 4.4Å; Y58-L68 HydrophobicContact CE1-CD1 4.23Å; Y58-L68 HydrophobicContact CE1-CD2 4.11Å; Y58-L68 HydrophobicContact CE2-CB 3.57Å; Y58-L68 HydrophobicContact CE2-CD1 3.86Å; Y58-L68 HydrophobicContact CE2-CD2 4.22Å; Y58-L68 HydrophobicContact CE2-CG 4.08Å; Y58-L68 HydrophobicContact CG-CD1 3.81Å; Y58-W97 HydrophobicContact CD1-CH2 4.11Å; Y58-W97 AromaticContact CE1-CH2 3.83Å; Y58-W97 HydrophobicContact CE1-CH2 3.83Å; Y58-W97 HydrophobicContact CE1-CZ3 4.44Å
59S94.6Very high93.2Very high12 Ų1253.2 Ų53.28%0.08427%0.272CS..  trans-136.9117.1173.7-166.20000112.7Y35 A61 E62 Q63Y35-S59 WeakPolarHBondContact O-CB 3.47Å; Y35-S59 PolarHBondContact O-OG 2.99Å; S59-A61 PolarHBondContact O-N 3.04Å; S59-A61 VanDerWaalsContact O-N 3.13Å; S59-E62 PolarHBondContact O-N 3.04Å; S59-E62 VanDerWaalsContact O-N 3.07Å; S59-Q63 WeakPolarHBondContact O-CB 3.47Å; S59-Q63 PolarHBondContact O-N 3.2Å
60E91.4Very high93.7Very high126 Ų12655.8 Ų55.859%0.58928%0.284SS*.THydrogen-bonded Turntrans-59.3-22.1174.5-170.8-172.4174.700112.8Y58 E62Y58-E60 HydrophobicContact CE1-CB 4.32Å; E60-E62 VanDerWaalsContact C-N 3.34Å
61A91.6Very high94.1Very high73 Ų7348.9 Ų48.960%0.60325%0.254SS*.THydrogen-bonded Turntrans-74.1-24.5177.700000113.3Y35 S59Y35-A61 HydrophobicContact CD1-CB 4Å; Y35-A61 HydrophobicContact CG-CB 4.25Å; S59-A61 PolarHBondContact O-N 3.04Å; S59-A61 VanDerWaalsContact O-N 3.13Å
62E92.6Very high94.3Very high107 Ų10748.5 Ų48.550%0.525%0.252SS..THydrogen-bonded Turntrans-119.7-19.2-175.1-66-169.9-178.800113.7R36 S59 E60R36-E62 VanDerWaalsContact CB-OE2 3.28Å; R36-E62 WeakPolarHBondContact CB-OE2 3.45Å; S59-E62 PolarHBondContact O-N 3.04Å; S59-E62 VanDerWaalsContact O-N 3.07Å; E60-E62 VanDerWaalsContact C-N 3.34Å
63Q94.6Very high94.2Very high10 Ų1050.6 Ų50.65%0.04727%0.267CS..  trans-121.8144.4-174.8-64.4173.9-82.300111.5D57 Y58 S59 Q67D57-Q63 PolarHBondContact O-OE1 2.9Å; Y58-Q63 HydrophobicContact CD2-CB 4.21Å; Y58-Q63 HydrophobicContact CE2-CB 3.82Å; S59-Q63 WeakPolarHBondContact O-CB 3.47Å; S59-Q63 PolarHBondContact O-N 3.2Å; Q63-Q67 VanDerWaalsContact CA-OE1 3.25Å; Q63-Q67 HydrophobicContact CB-CB 4.27Å
64T94.8Very high94.1Very high77 Ų7755.7 Ų55.747%0.47229%0.289SS..  trans-84163.3174.9580000111.7E66 Q67 L68T64-E66 VanDerWaalsContact C-N 3.25Å; T64-E66 PolarHBondContact O-N 3.15Å; T64-Q67 WeakPolarHBondContact O-CB 3.16Å; T64-Q67 PolarHBondContact O-N 2.98Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.37Å; T64-Q67 PolarHBondContact OG1-N 3.41Å; T64-Q67 PolarHBondContact OG1-OE1 3.36Å; T64-Q67 VanDerWaalsContact OG1-OE1 3.11Å; T64-L68 PolarHBondContact O-N 3.48Å
65D92.3Very high94Very high102 Ų10254.2 Ų54.255%0.54528%0.284SS..Hα-helixtrans-57.9-37.8174.5-66.2-20.6000112.2Q67 L68 F69D65-Q67 VanDerWaalsContact C-N 3.29Å; D65-Q67 PolarHBondContact O-N 3.32Å; D65-L68 WeakPolarHBondContact O-CB 3.45Å; D65-L68 PolarHBondContact O-N 3.1Å; D65-L68 VanDerWaalsContact O-N 3.15Å; D65-F69 HydrophobicContact CB-CE2 4.05Å; D65-F69 HydrophobicContact CB-CZ 4.09Å; D65-F69 WeakPolarHBondContact O-CD2 3.43Å; D65-F69 WeakPolarHBondContact O-CG 3.33Å; D65-F69 PolarHBondContact O-N 3.05Å
66E93.4Very high93.8Very high146 Ų14655.7 Ų55.768%0.68229%0.291SS*.Hα-helixtrans-60.5-39.4175.6-67.8177.5-176.400112T64 F69 Q70T64-E66 VanDerWaalsContact C-N 3.25Å; T64-E66 PolarHBondContact O-N 3.15Å; E66-F69 PolarHBondContact O-N 3.49Å; E66-Q70 WeakPolarHBondContact O-CG 3.37Å; E66-Q70 PolarHBondContact O-N 3.15Å; E66-Q70 VanDerWaalsContact O-N 3.15Å
67Q94.4Very high93.7Very high78 Ų7855.6 Ų55.636%0.36429%0.291SS..Hα-helixtrans-69.4-40.5175-70.9167.4-46.600110.9Q63 T64 D65 F69 Q70 E71Q63-Q67 VanDerWaalsContact CA-OE1 3.25Å; Q63-Q67 HydrophobicContact CB-CB 4.27Å; T64-Q67 WeakPolarHBondContact O-CB 3.16Å; T64-Q67 PolarHBondContact O-N 2.98Å; T64-Q67 WeakPolarHBondContact OG1-CG 3.37Å; T64-Q67 PolarHBondContact OG1-N 3.41Å; T64-Q67 PolarHBondContact OG1-OE1 3.36Å; T64-Q67 VanDerWaalsContact OG1-OE1 3.11Å; D65-Q67 VanDerWaalsContact C-N 3.29Å; D65-Q67 PolarHBondContact O-N 3.32Å; Q67-F69 VanDerWaalsContact C-N 3.32Å; Q67-F69 PolarHBondContact O-N 2.92Å; Q67-Q70 WeakPolarHBondContact O-CB 3.37Å; Q67-Q70 PolarHBondContact O-N 2.69Å; Q67-E71 WeakPolarHBondContact O-CG 3.19Å; Q67-E71 PolarHBondContact O-N 2.62Å
68L94.9Very high93.7Very high3 Ų355.5 Ų55.52%0.01629%0.29CS..Hα-helixtrans-56.4-45.7173.6176.457.6000111.7V10 Y58 T64 D65 Q70 E71 I72 W97 L100V10-L68 HydrophobicContact CG1-CD1 4.06Å; Y58-L68 HydrophobicContact CD1-CD1 4.08Å; Y58-L68 HydrophobicContact CD2-CB 4.13Å; Y58-L68 HydrophobicContact CD2-CD1 3.7Å; Y58-L68 HydrophobicContact CD2-CG 4.4Å; Y58-L68 HydrophobicContact CE1-CD1 4.23Å; Y58-L68 HydrophobicContact CE1-CD2 4.11Å; Y58-L68 HydrophobicContact CE2-CB 3.57Å; Y58-L68 HydrophobicContact CE2-CD1 3.86Å; Y58-L68 HydrophobicContact CE2-CD2 4.22Å; Y58-L68 HydrophobicContact CE2-CG 4.08Å; Y58-L68 HydrophobicContact CG-CD1 3.81Å; T64-L68 PolarHBondContact O-N 3.48Å; D65-L68 WeakPolarHBondContact O-CB 3.45Å; D65-L68 PolarHBondContact O-N 3.1Å; D65-L68 VanDerWaalsContact O-N 3.15Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Q70 PolarHBondContact O-N 3.01Å; L68-E71 WeakPolarHBondContact O-CB 3.48Å; L68-E71 PolarHBondContact O-N 2.89Å; L68-E71 VanDerWaalsContact O-N 3.1Å; L68-I72 HydrophobicContact CD1-CD1 3.94Å; L68-I72 HydrophobicContact CD1-CG1 4.09Å; L68-I72 HydrophobicContact CG-CD1 3.88Å; L68-I72 HydrophobicContact CG-CG1 4.44Å; L68-I72 WeakPolarHBondContact O-CG1 3.47Å; L68-I72 PolarHBondContact O-N 3.11Å; L68-W97 HydrophobicContact CD2-CZ3 4.06Å; L68-L100 HydrophobicContact CD2-CD2 3.63Å
69F93.8Very high93.8Very high68 Ų6855.2 Ų55.230%0.29829%0.289SS..Hα-helixtrans-62.7-39.5178.3-57.2-34.1000112.1D65 E66 Q67 E71 I72 S73 L100 N104D65-F69 HydrophobicContact CB-CE2 4.05Å; D65-F69 HydrophobicContact CB-CZ 4.09Å; D65-F69 WeakPolarHBondContact O-CD2 3.43Å; D65-F69 WeakPolarHBondContact O-CG 3.33Å; D65-F69 PolarHBondContact O-N 3.05Å; E66-F69 PolarHBondContact O-N 3.49Å; Q67-F69 VanDerWaalsContact C-N 3.32Å; Q67-F69 PolarHBondContact O-N 2.92Å; F69-E71 VanDerWaalsContact C-N 3.33Å; F69-E71 PolarHBondContact O-N 2.94Å; F69-I72 PolarHBondContact O-N 2.76Å; F69-S73 WeakPolarHBondContact O-CB 3.3Å; F69-S73 PolarHBondContact O-N 3.05Å; F69-S73 PolarHBondContact O-OG 3.04Å; F69-L100 HydrophobicContact CE1-CD1 3.88Å; F69-L100 HydrophobicContact CE1-CG 4.24Å; F69-L100 HydrophobicContact CZ-CD1 4.43Å; F69-N104 HydrophobicContact CD1-CB 4.19Å; F69-N104 VanDerWaalsContact CD1-CG 3.46Å; F69-N104 WeakPolarHBondContact CD1-OD1 3.37Å; F69-N104 WeakPolarHBondContact CE1-ND2 3.48Å
70Q92.7Very high94Very high102 Ų10254.6 Ų54.648%0.47729%0.285SS..Hα-helixtrans-62.2-41.4172.4-69.717616.600111.8E66 Q67 L68 S73 K74E66-Q70 WeakPolarHBondContact O-CG 3.37Å; E66-Q70 PolarHBondContact O-N 3.15Å; E66-Q70 VanDerWaalsContact O-N 3.15Å; Q67-Q70 WeakPolarHBondContact O-CB 3.37Å; Q67-Q70 PolarHBondContact O-N 2.69Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Q70 PolarHBondContact O-N 3.01Å; Q70-S73 PolarHBondContact O-N 2.8Å; Q70-S73 PolarHBondContact O-OG 2.85Å; Q70-K74 WeakPolarHBondContact O-CG 3.46Å; Q70-K74 PolarHBondContact O-N 2.9Å
71E94.8Very high94.3Very high23 Ų2348.7 Ų48.711%0.10726%0.258CS..Hα-helixtrans-65.3-42.6177.4-66.8-50145.100112.3R6 L8 Q67 L68 F69 K74 A75R6-E71 IonicContact CZ-OE2 3.67Å; R6-E71 PolarHBondContact NH1-O 2.79Å; R6-E71 IonicContact NH1-OE2 2.59Å; R6-E71 PolarHBondContact NH1-OE2 3.32Å; R6-E71 IonicContact NH2-OE1 3.39Å; R6-E71 IonicContact NH2-OE2 3.19Å; R6-E71 PolarHBondContact NH2-OE2 3.49Å; L8-E71 HydrophobicContact CD1-CB 3.94Å; L8-E71 HydrophobicContact CD2-CB 3.95Å; Q67-E71 WeakPolarHBondContact O-CG 3.19Å; Q67-E71 PolarHBondContact O-N 2.62Å; L68-E71 WeakPolarHBondContact O-CB 3.48Å; L68-E71 PolarHBondContact O-N 2.89Å; L68-E71 VanDerWaalsContact O-N 3.1Å; F69-E71 VanDerWaalsContact C-N 3.33Å; F69-E71 PolarHBondContact O-N 2.94Å; E71-K74 PolarHBondContact O-N 2.71Å; E71-A75 PolarHBondContact O-N 3.11Å; E71-A75 VanDerWaalsContact O-N 3.12Å
72I93.9Very high94.5Very high0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-60.5-47.7175.4-71169.7000110.3L8 L68 F69 K74 A75 I78 L100 I101 N104 T105L8-I72 HydrophobicContact CD2-CG1 3.92Å; L68-I72 HydrophobicContact CD1-CD1 3.94Å; L68-I72 HydrophobicContact CD1-CG1 4.09Å; L68-I72 HydrophobicContact CG-CD1 3.88Å; L68-I72 HydrophobicContact CG-CG1 4.44Å; L68-I72 WeakPolarHBondContact O-CG1 3.47Å; L68-I72 PolarHBondContact O-N 3.11Å; F69-I72 PolarHBondContact O-N 2.76Å; I72-K74 PolarHBondContact O-N 3.27Å; I72-A75 WeakPolarHBondContact O-CB 3.48Å; I72-A75 PolarHBondContact O-N 2.78Å; I72-A75 VanDerWaalsContact O-N 3.09Å; I72-I78 HydrophobicContact CG1-CD1 4.41Å; I72-I78 HydrophobicContact CG2-CD1 4.05Å; I72-L100 HydrophobicContact CD1-CD2 4.47Å; I72-I101 HydrophobicContact CD1-CG1 4.19Å; I72-I101 HydrophobicContact CG2-CG2 4.35Å; I72-N104 HydrophobicContact CG2-CB 4.23Å; I72-T105 HydrophobicContact CG2-CG2 3.9Å
73S91.5Very high94.7Very high83 Ų8340.2 Ų40.258%0.5821%0.206SC*.Hα-helixtrans-62.1-27-178.971.90000113.9F69 Q70F69-S73 WeakPolarHBondContact O-CB 3.3Å; F69-S73 PolarHBondContact O-N 3.05Å; F69-S73 PolarHBondContact O-OG 3.04Å; Q70-S73 PolarHBondContact O-N 2.8Å; Q70-S73 PolarHBondContact O-OG 2.85Å
74K91.8Very high94.7Very high111 Ų11140.7 Ų40.748%0.48321%0.209SC..Hα-helixtrans-91.4-14.4178.5-67.3171.9-172.1169.90113.1Q70 E71 I72Q70-K74 WeakPolarHBondContact O-CG 3.46Å; Q70-K74 PolarHBondContact O-N 2.9Å; E71-K74 PolarHBondContact O-N 2.71Å; I72-K74 PolarHBondContact O-N 3.27Å
75A93.7Very high94.5Very high6 Ų640.8 Ų40.85%0.0521%0.207CC..  trans-69.1140.5-174.900000110.8L8 E71 I72 I78L8-A75 HydrophobicContact CB-CB 3.86Å; L8-A75 HydrophobicContact CD2-CB 4.34Å; E71-A75 PolarHBondContact O-N 3.11Å; E71-A75 VanDerWaalsContact O-N 3.12Å; I72-A75 WeakPolarHBondContact O-CB 3.48Å; I72-A75 PolarHBondContact O-N 2.78Å; I72-A75 VanDerWaalsContact O-N 3.09Å; A75-I78 HydrophobicContact CB-CD1 4.11Å; A75-I78 HydrophobicContact CB-CG1 3.61Å
76N93.3Very high94.6Very high32 Ų3239.2 Ų39.217%0.17120%0.199CC..SBendtrans-94.2-24.9168.9-55.3145.7000111.8R2 V5 R6 P112 V166R2-N76 VanDerWaalsContact NH1-CG 3.31Å; R2-N76 PolarHBondContact NH1-ND2 3.09Å; V5-N76 WeakPolarHBondContact CA-OD1 3.42Å; V5-N76 HydrophobicContact CG1-CB 4.45Å; R6-N76 PolarHBondContact N-OD1 2.92Å; R6-N76 PolarHBondContact O-N 3.43Å; N76-P112 VanDerWaalsContact O-CD 3.25Å; N76-P112 WeakPolarHBondContact O-CD 3.49Å; N76-P112 WeakPolarHBondContact O-CG 3.47Å; N76-V166 HydrophobicContact CB-CG1 3.96Å; N76-V166 HydrophobicContact CB-CG2 3.99Å; N76-V166 WeakPolarHBondContact O-CG2 3.45Å
77V95Very high94.5Very high0 Ų040.2 Ų40.20%020%0.201CC..EExtended strand (participates in β ladder)trans-149.7144.3173.155.70000108.4V5 R6 I7 L8 P112 I114 A162 V166V5-V77 HydrophobicContact CG1-CG1 4.45Å; R6-V77 PolarHBondContact O-N 3.08Å; I7-V77 HydrophobicContact CB-CG1 4.07Å; I7-V77 HydrophobicContact CG1-CG1 3.64Å; I7-V77 HydrophobicContact CG2-CG1 4.14Å; L8-V77 PolarHBondContact N-O 2.66Å; V77-P112 WeakPolarHBondContact CA-O 3.42Å; V77-P112 HydrophobicContact CB-CG 4.02Å; V77-P112 HydrophobicContact CG2-CB 4.46Å; V77-P112 HydrophobicContact CG2-CG 4.12Å; V77-P112 WeakPolarHBondContact CG2-O 3.48Å; V77-I114 HydrophobicContact CG2-CD1 4.25Å; V77-I114 HydrophobicContact CG2-CG1 4.15Å; V77-A162 HydrophobicContact CG1-CB 4.03Å; V77-A162 HydrophobicContact CG2-CB 4.24Å; V77-V166 HydrophobicContact CB-CG2 3.58Å; V77-V166 HydrophobicContact CG1-CG2 3.79Å
78I96.9Very high94.4Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-120122.4-179.6-59167.4000109.6L8 V10 I72 A75 I80 I101 V111 P112 L113 I114L8-I78 HydrophobicContact CB-CG1 4.32Å; L8-I78 HydrophobicContact CD2-CG1 4.39Å; L8-I78 CarbonylContact O-C 3.6Å; L8-I78 WeakPolarHBondContact O-CA 3.28Å; V10-I78 HydrophobicContact CG1-CG2 4.29Å; V10-I78 HydrophobicContact CG2-CG2 3.64Å; I72-I78 HydrophobicContact CG1-CD1 4.41Å; I72-I78 HydrophobicContact CG2-CD1 4.05Å; A75-I78 HydrophobicContact CB-CD1 4.11Å; A75-I78 HydrophobicContact CB-CG1 3.61Å; I78-I80 HydrophobicContact CG2-CG1 4.42Å; I78-I101 HydrophobicContact CB-CD1 4.44Å; I78-I101 HydrophobicContact CD1-CD1 4.33Å; I78-I101 HydrophobicContact CD1-CG1 4.19Å; I78-I101 HydrophobicContact CD1-CG2 3.55Å; I78-I101 HydrophobicContact CG2-CD1 3.71Å; I78-V111 HydrophobicContact CD1-CG1 3.98Å; I78-V111 HydrophobicContact CG1-CG1 4Å; I78-P112 PolarHBondContact N-O 3Å; I78-P112 VanDerWaalsContact N-O 3.08Å; I78-L113 HydrophobicContact CB-CD2 3.91Å; I78-L113 WeakPolarHBondContact O-CA 3.3Å; I78-I114 PolarHBondContact O-N 3.34Å
79C97.9Very high94.4Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-95.7109.9175.7-69.40000109.4L8 L9 V10 I114 V116L8-C79 PolarHBondContact O-N 3.24Å; L9-C79 WeakPolarHBondContact CA-O 3.31Å; L9-C79 HydrophobicContact CD1-CB 4.4Å; L9-C79 HydrophobicContact CG-CB 4.05Å; V10-C79 PolarHBondContact N-O 3.08Å; C79-I114 CarbonylContact C-O 3.52Å; C79-I114 WeakPolarHBondContact CA-O 3.4Å; C79-V116 HydrophobicContact CB-CG2 3.89Å
80I97.8Very high94.3Very high0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-90.4106.7177-50.9175.7000108.5V10 I78 V93 W97 I98 I101 L113 I114 L115 V116V10-I80 HydrophobicContact CG2-CB 4.38Å; V10-I80 HydrophobicContact CG2-CG1 3.94Å; V10-I80 HydrophobicContact CG2-CG2 4.49Å; I78-I80 HydrophobicContact CG2-CG1 4.42Å; I80-V93 HydrophobicContact CG2-CG1 4.22Å; I80-V93 HydrophobicContact CG2-CG2 4.01Å; I80-W97 HydrophobicContact CD1-CB 4.32Å; I80-W97 HydrophobicContact CG2-CB 3.88Å; I80-W97 HydrophobicContact CG2-CG 4.15Å; I80-I98 HydrophobicContact CD1-CG1 3.69Å; I80-I101 HydrophobicContact CD1-CD1 3.76Å; I80-I101 HydrophobicContact CG1-CD1 3.98Å; I80-L113 HydrophobicContact CD1-CD1 4.36Å; I80-I114 PolarHBondContact N-O 3.05Å; I80-L115 HydrophobicContact CB-CD2 4.03Å; I80-L115 HydrophobicContact CD1-CD2 4.25Å; I80-V116 PolarHBondContact O-N 3.4Å
81V97.9Very high94.4Very high2 Ų238.4 Ų38.41%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-91.7125.7-176.6-168.30000110.5L9 V10 G11 V15 K17 L20 V116 N118L9-V81 HydrophobicContact CB-CG2 4.49Å; L9-V81 HydrophobicContact CD2-CG2 4.19Å; L9-V81 HydrophobicContact CG-CG2 4.37Å; V10-V81 PolarHBondContact O-N 3.16Å; G11-V81 WeakPolarHBondContact CA-O 3.48Å; V15-V81 HydrophobicContact CB-CG1 4.31Å; V15-V81 HydrophobicContact CG2-CB 3.93Å; V15-V81 HydrophobicContact CG2-CG1 3.82Å; V15-V81 WeakPolarHBondContact CG2-O 3.34Å; K17-V81 HydrophobicContact CG-CB 3.9Å; K17-V81 HydrophobicContact CG-CG1 4.38Å; K17-V81 HydrophobicContact CG-CG2 3.92Å; L20-V81 HydrophobicContact CD1-CG1 3.85Å; L20-V81 HydrophobicContact CD1-CG2 4.11Å; V81-V116 WeakPolarHBondContact CA-O 3.49Å; V81-V116 HydrophobicContact CB-CB 4.36Å; V81-V116 HydrophobicContact CG1-CB 4.34Å; V81-V116 HydrophobicContact CG1-CG1 4.43Å; V81-V116 HydrophobicContact CG2-CB 4.06Å; V81-V116 HydrophobicContact CG2-CG2 4.31Å; V81-N118 HydrophobicContact CG1-CB 3.95Å
82Y96.9Very high94.4Very high0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-123.8160.7170.367.5-88000109.6V84 I90 V93 L115 V116 G117 N118 S127 I131Y82-V84 HydrophobicContact CE2-CG1 3.98Å; Y82-I90 HydrophobicContact CD2-CD1 4.19Å; Y82-I90 HydrophobicContact CD2-CG1 3.49Å; Y82-I90 VanDerWaalsContact CD2-CG1 3.49Å; Y82-I90 HydrophobicContact CE2-CD1 4.27Å; Y82-I90 HydrophobicContact CE2-CG1 3.98Å; Y82-I90 HydrophobicContact CG-CG1 4.2Å; Y82-V93 HydrophobicContact CD1-CG2 4.24Å; Y82-V93 HydrophobicContact CG-CG2 4.43Å; Y82-L115 HydrophobicContact CE1-CB 4.25Å; Y82-V116 WeakPolarHBondContact CD1-O 3.35Å; Y82-V116 PolarHBondContact N-O 2.95Å; Y82-V116 VanDerWaalsContact O-O 3.13Å; Y82-G117 WeakPolarHBondContact OH-CA 3.36Å; Y82-N118 PolarHBondContact O-N 2.92Å; Y82-S127 PolarHBondContact OH-OG 3.27Å; Y82-I131 HydrophobicContact CE1-CD1 3.97Å; Y82-I131 HydrophobicContact CE1-CG1 4.5Å; Y82-I131 HydrophobicContact CE2-CD1 4.17Å; Y82-I131 WeakPolarHBondContact OH-CG1 3.44Å
83A96.2Very high94.4Very high2 Ų241 Ų412%0.01721%0.21CC..EExtended strand (participates in β ladder)trans-98123.5175.200000109.3V15 N85 N86 S89 N118 K119V15-A83 HydrophobicContact CB-CB 4.39Å; V15-A83 HydrophobicContact CG1-CB 4.32Å; A83-N85 PolarHBondContact O-N 3.03Å; A83-N85 VanDerWaalsContact O-N 3.09Å; A83-N86 HydrophobicContact CB-CB 4.08Å; A83-N86 PolarHBondContact O-N 3.35Å; A83-S89 PolarHBondContact N-OG 2.79Å; A83-S89 PolarHBondContact O-OG 3.46Å; A83-N118 WeakPolarHBondContact CA-O 3.3Å; A83-K119 HydrophobicContact CB-CD 4.15Å
84V94.1Very high94.5Very high19 Ų1938.2 Ų38.212%0.11519%0.19CC..THydrogen-bonded Turntrans-61.8-23.5-175.7-60.40000112.9Y82 N118 K119 V123Y82-V84 HydrophobicContact CE2-CG1 3.98Å; V84-N118 WeakPolarHBondContact CG2-O 3.43Å; V84-N118 PolarHBondContact N-O 3.49Å; V84-K119 VanDerWaalsContact CG2-O 3.3Å; V84-K119 WeakPolarHBondContact CG2-O 3.46Å; V84-V123 HydrophobicContact CB-CG2 4.47Å; V84-V123 HydrophobicContact CG2-CB 4.32Å; V84-V123 HydrophobicContact CG2-CG2 3.67Å
85N92.6Very high94.6Very high80 Ų8038.8 Ų38.843%0.42820%0.198SC..THydrogen-bonded Turntrans-89.74.2177.373.3-39.8000113.8A83 L122 V123A83-N85 PolarHBondContact O-N 3.03Å; A83-N85 VanDerWaalsContact O-N 3.09Å; N85-L122 HydrophobicContact CB-CB 4.25Å; N85-L122 WeakPolarHBondContact ND2-CD1 3.33Å; N85-V123 HydrophobicContact CB-CG2 3.79Å
86N93.3Very high94.6Very high69 Ų6941.9 Ų41.937%0.36921%0.211SC..  trans-129.5100.9-178-178-2.6000111.8A83 T88 S89 I90A83-N86 HydrophobicContact CB-CB 4.08Å; A83-N86 PolarHBondContact O-N 3.35Å; N86-T88 VanDerWaalsContact C-N 3.32Å; N86-T88 PolarHBondContact O-N 2.86Å; N86-T88 WeakPolarHBondContact OD1-CB 3.37Å; N86-T88 PolarHBondContact OD1-N 3.12Å; N86-T88 VanDerWaalsContact OD1-N 3.11Å; N86-S89 PolarHBondContact O-N 2.91Å; N86-S89 VanDerWaalsContact O-N 3.11Å; N86-S89 PolarHBondContact O-OG 3.29Å; N86-S89 PolarHBondContact OD1-N 3.38Å; N86-I90 PolarHBondContact O-N 3.23Å
87K90.3Very high94.7Very high167 Ų16740.9 Ų40.973%0.72621%0.205SC*.Hα-helixtrans-57.7-38.7179.5-67.6-173.7177.5-176.30113.7S89 I90 E91K87-S89 VanDerWaalsContact C-N 3.26Å; K87-S89 PolarHBondContact O-N 3.5Å; K87-I90 WeakPolarHBondContact O-CB 3.27Å; K87-I90 PolarHBondContact O-N 3.08Å; K87-E91 PolarHBondContact O-N 3.42Å
88T94Very high94.7Very high81 Ų8140.9 Ų40.950%0.49721%0.205SC..Hα-helixtrans-62.5-35.7179.1-520000111.5N86 I90 E91 K92N86-T88 VanDerWaalsContact C-N 3.32Å; N86-T88 PolarHBondContact O-N 2.86Å; N86-T88 WeakPolarHBondContact OD1-CB 3.37Å; N86-T88 PolarHBondContact OD1-N 3.12Å; N86-T88 VanDerWaalsContact OD1-N 3.11Å; T88-I90 VanDerWaalsContact C-N 3.3Å; T88-I90 PolarHBondContact O-N 3.41Å; T88-E91 PolarHBondContact O-N 3.48Å; T88-K92 VanDerWaalsContact O-CG 3.25Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 3.28Å; T88-K92 VanDerWaalsContact O-N 3.1Å
89S94.4Very high94.5Very high3 Ų343 Ų432%0.02122%0.219CC..Hα-helixtrans-68.1-30.2175.873.60000112.9A83 N86 K87A83-S89 PolarHBondContact N-OG 2.79Å; A83-S89 PolarHBondContact O-OG 3.46Å; N86-S89 PolarHBondContact O-N 2.91Å; N86-S89 VanDerWaalsContact O-N 3.11Å; N86-S89 PolarHBondContact O-OG 3.29Å; N86-S89 PolarHBondContact OD1-N 3.38Å; K87-S89 VanDerWaalsContact C-N 3.26Å; K87-S89 PolarHBondContact O-N 3.5Å
90I92.5Very high94.3Very high17 Ų1744.2 Ų44.29%0.08723%0.225CC..Hα-helixtrans-71.6-45.6175.3-58.9171000110Y82 N86 K87 T88 K92 V93 T130 I131 I134Y82-I90 HydrophobicContact CD2-CD1 4.19Å; Y82-I90 HydrophobicContact CD2-CG1 3.49Å; Y82-I90 VanDerWaalsContact CD2-CG1 3.49Å; Y82-I90 HydrophobicContact CE2-CD1 4.27Å; Y82-I90 HydrophobicContact CE2-CG1 3.98Å; Y82-I90 HydrophobicContact CG-CG1 4.2Å; N86-I90 PolarHBondContact O-N 3.23Å; K87-I90 WeakPolarHBondContact O-CB 3.27Å; K87-I90 PolarHBondContact O-N 3.08Å; T88-I90 VanDerWaalsContact C-N 3.3Å; T88-I90 PolarHBondContact O-N 3.41Å; I90-K92 PolarHBondContact O-N 2.77Å; I90-V93 VanDerWaalsContact O-CB 3.25Å; I90-V93 WeakPolarHBondContact O-CB 3.42Å; I90-V93 PolarHBondContact O-N 3.23Å; I90-T130 HydrophobicContact CG2-CG2 4.21Å; I90-I131 HydrophobicContact CG2-CD1 4.03Å; I90-I134 HydrophobicContact CG2-CD1 4.44Å
91E93.4Very high94.1Very high111 Ų11144.3 Ų44.352%0.51923%0.226SC..Hα-helixtrans-60.5-34177.1-69.4169.8-176.300112.5K87 T88 V93 T94 N95K87-E91 PolarHBondContact O-N 3.42Å; T88-E91 PolarHBondContact O-N 3.48Å; E91-V93 VanDerWaalsContact C-N 3.26Å; E91-V93 PolarHBondContact O-N 3.43Å; E91-T94 PolarHBondContact O-N 3.2Å; E91-T94 PolarHBondContact O-OG1 3.33Å; E91-N95 WeakPolarHBondContact O-CB 3.42Å; E91-N95 VanDerWaalsContact O-CG 3.3Å; E91-N95 PolarHBondContact O-N 3.26Å; E91-N95 PolarHBondContact O-ND2 2.78Å
92K94.9Very high93.6Very high78 Ų7847.7 Ų47.734%0.33925%0.247SC..Hα-helixtrans-66.6-25.1176.3-76.2-79.4-168.4166.20113.5E12 T88 I90 H96 W97E12-K92 HydrophobicContact CG-CB 3.88Å; E12-K92 HydrophobicContact CG-CG 3.93Å; T88-K92 VanDerWaalsContact O-CG 3.25Å; T88-K92 WeakPolarHBondContact O-CG 3.46Å; T88-K92 PolarHBondContact O-N 3.28Å; T88-K92 VanDerWaalsContact O-N 3.1Å; I90-K92 PolarHBondContact O-N 2.77Å; K92-H96 HydrophobicContact CD-CB 4.07Å; K92-H96 WeakPolarHBondContact O-CB 3.34Å; K92-H96 PolarHBondContact O-N 3.43Å; K92-W97 PolarHBondContact O-N 3.46Å
93V94.2Very high93.2Very high1 Ų155.1 Ų55.11%0.00628%0.281CS..Iπ-helixtrans-57.7-51.5175175.40000109.8I80 Y82 I90 E91 I98 L115I80-V93 HydrophobicContact CG2-CG1 4.22Å; I80-V93 HydrophobicContact CG2-CG2 4.01Å; Y82-V93 HydrophobicContact CD1-CG2 4.24Å; Y82-V93 HydrophobicContact CG-CG2 4.43Å; I90-V93 VanDerWaalsContact O-CB 3.25Å; I90-V93 WeakPolarHBondContact O-CB 3.42Å; I90-V93 PolarHBondContact O-N 3.23Å; E91-V93 VanDerWaalsContact C-N 3.26Å; E91-V93 PolarHBondContact O-N 3.43Å; V93-I98 HydrophobicContact CG1-CD1 3.81Å; V93-I98 HydrophobicContact CG1-CG1 4.21Å; V93-I98 WeakPolarHBondContact O-CB 3.38Å; V93-I98 WeakPolarHBondContact O-CG1 3.34Å; V93-I98 PolarHBondContact O-N 2.95Å; V93-L115 HydrophobicContact CG1-CD2 3.58Å
94T93Very high92.7Very high24 Ų2457.5 Ų57.515%0.14729%0.294CS..Iπ-helixtrans-81.9-35.8-176.755.40000113.4E91 P99 I134 Y138E91-T94 PolarHBondContact O-N 3.2Å; E91-T94 PolarHBondContact O-OG1 3.33Å; T94-P99 VanDerWaalsContact O-CD 3.23Å; T94-P99 WeakPolarHBondContact O-CD 3.43Å; T94-P99 WeakPolarHBondContact O-CG 3.45Å; T94-I134 HydrophobicContact CG2-CB 4.34Å; T94-I134 HydrophobicContact CG2-CD1 3.8Å; T94-I134 HydrophobicContact CG2-CG1 3.83Å; T94-I134 HydrophobicContact CG2-CG2 3.62Å; T94-Y138 HydrophobicContact CG2-CE2 4Å
95N94.1Very high92.3Very high122 Ų12258 Ų5865%0.65230%0.297SS*.Iπ-helixtrans-90.3-12.8-171.1-62-13.8000113.4E91E91-N95 WeakPolarHBondContact O-CB 3.42Å; E91-N95 VanDerWaalsContact O-CG 3.3Å; E91-N95 PolarHBondContact O-N 3.26Å; E91-N95 PolarHBondContact O-ND2 2.78Å
96H95Very high91.4Very high72 Ų7260.4 Ų60.433%0.33331%0.31SS..Iπ-helixtrans-136.9-62.7-177.2-177.356.2000112.8K92 P99 L100K92-H96 HydrophobicContact CD-CB 4.07Å; K92-H96 WeakPolarHBondContact O-CB 3.34Å; K92-H96 PolarHBondContact O-N 3.43Å; H96-P99 WeakPolarHBondContact O-CD 3.37Å; H96-L100 WeakPolarHBondContact O-CB 3.43Å; H96-L100 PolarHBondContact O-N 2.86Å
97W95.5Very high90Very high10 Ų1067.1 Ų67.14%0.03834%0.335CS..Iπ-helixtrans-66-48-168.2-70.7104.7000113.6V10 G11 E12 Y58 L68 I80 K92 L100 I101V10-W97 HydrophobicContact CB-CD2 4.49Å; V10-W97 HydrophobicContact CB-CE3 3.75Å; V10-W97 HydrophobicContact CB-CH2 4.33Å; V10-W97 HydrophobicContact CB-CZ3 3.66Å; V10-W97 HydrophobicContact CG1-CZ3 4.24Å; V10-W97 HydrophobicContact CG2-CD2 4.39Å; V10-W97 HydrophobicContact CG2-CE3 3.82Å; V10-W97 HydrophobicContact CG2-CZ3 4.26Å; G11-W97 VanDerWaalsContact CA-CE2 3.44Å; G11-W97 WeakPolarHBondContact O-CZ2 3.45Å; E12-W97 PolarHBondContact OE1-NE1 3.07Å; Y58-W97 HydrophobicContact CD1-CH2 4.11Å; Y58-W97 AromaticContact CE1-CH2 3.83Å; Y58-W97 HydrophobicContact CE1-CH2 3.83Å; Y58-W97 HydrophobicContact CE1-CZ3 4.44Å; L68-W97 HydrophobicContact CD2-CZ3 4.06Å; I80-W97 HydrophobicContact CD1-CB 4.32Å; I80-W97 HydrophobicContact CG2-CB 3.88Å; I80-W97 HydrophobicContact CG2-CG 4.15Å; K92-W97 PolarHBondContact O-N 3.46Å; W97-L100 HydrophobicContact CE3-CD2 4.31Å; W97-L100 HydrophobicContact CZ3-CD2 4.25Å; W97-L100 PolarHBondContact O-N 3.12Å; W97-I101 WeakPolarHBondContact O-CD1 3.18Å; W97-I101 WeakPolarHBondContact O-CG1 3.31Å; W97-I101 PolarHBondContact O-N 2.98Å
98I93.7Very high88.5Confident1 Ų167.2 Ų67.21%0.00534%0.344CS..Hα-helixtrans-61.5-53.9177.1-67.5169.2000111I80 V93 L100 I101 T102 L113 I134 Y138 I141I80-I98 HydrophobicContact CD1-CG1 3.69Å; V93-I98 HydrophobicContact CG1-CD1 3.81Å; V93-I98 HydrophobicContact CG1-CG1 4.21Å; V93-I98 WeakPolarHBondContact O-CB 3.38Å; V93-I98 WeakPolarHBondContact O-CG1 3.34Å; V93-I98 PolarHBondContact O-N 2.95Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 3.48Å; I98-I101 PolarHBondContact O-N 2.86Å; I98-T102 PolarHBondContact O-N 3.29Å; I98-T102 PolarHBondContact O-OG1 3.09Å; I98-L113 HydrophobicContact CG1-CD1 4.28Å; I98-I134 HydrophobicContact CD1-CG2 4.32Å; I98-Y138 HydrophobicContact CD1-CD2 3.8Å; I98-Y138 HydrophobicContact CD1-CE2 4.04Å; I98-Y138 HydrophobicContact CD1-CG 4.04Å; I98-Y138 HydrophobicContact CG2-CD1 3.58Å; I98-Y138 HydrophobicContact CG2-CE1 3.61Å; I98-Y138 HydrophobicContact CG2-CG 4.14Å; I98-I141 HydrophobicContact CD1-CD1 3.89Å
99P93.1Very high87.2Confident44 Ų4466.1 Ų66.129%0.28634%0.34SS..Hα-helixtrans-54.3-44.2176.5-27.533.6000113.8T94 H96 I101 T102 E103T94-P99 VanDerWaalsContact O-CD 3.23Å; T94-P99 WeakPolarHBondContact O-CD 3.43Å; T94-P99 WeakPolarHBondContact O-CG 3.45Å; H96-P99 WeakPolarHBondContact O-CD 3.37Å; P99-I101 PolarHBondContact O-N 3.39Å; P99-T102 PolarHBondContact O-N 3.43Å; P99-E103 WeakPolarHBondContact O-CB 3.25Å; P99-E103 WeakPolarHBondContact O-CG 3.43Å; P99-E103 PolarHBondContact O-N 3.41Å
100L93.1Very high86.2Confident25 Ų2572.1 Ų72.113%0.13136%0.362CS..Hα-helixtrans-60-45.1179.5-171.282.7000111.5L68 F69 I72 H96 W97 I98 N104L68-L100 HydrophobicContact CD2-CD2 3.63Å; F69-L100 HydrophobicContact CE1-CD1 3.88Å; F69-L100 HydrophobicContact CE1-CG 4.24Å; F69-L100 HydrophobicContact CZ-CD1 4.43Å; I72-L100 HydrophobicContact CD1-CD2 4.47Å; H96-L100 WeakPolarHBondContact O-CB 3.43Å; H96-L100 PolarHBondContact O-N 2.86Å; W97-L100 HydrophobicContact CE3-CD2 4.31Å; W97-L100 HydrophobicContact CZ3-CD2 4.25Å; W97-L100 PolarHBondContact O-N 3.12Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L100 PolarHBondContact O-N 3.48Å; L100-N104 WeakPolarHBondContact O-CB 3.49Å; L100-N104 PolarHBondContact O-N 3.02Å; L100-N104 PolarHBondContact O-ND2 2.95Å
101I93.3Very high85.9Confident3 Ų372.2 Ų72.22%0.01536%0.363CS..Hα-helixtrans-65.1-47.7178.2-66.3160.5000110V10 I72 I78 I80 W97 I98 P99 E103 N104 T105 L113V10-I101 HydrophobicContact CG2-CD1 4.27Å; I72-I101 HydrophobicContact CD1-CG1 4.19Å; I72-I101 HydrophobicContact CG2-CG2 4.35Å; I78-I101 HydrophobicContact CB-CD1 4.44Å; I78-I101 HydrophobicContact CD1-CD1 4.33Å; I78-I101 HydrophobicContact CD1-CG1 4.19Å; I78-I101 HydrophobicContact CD1-CG2 3.55Å; I78-I101 HydrophobicContact CG2-CD1 3.71Å; I80-I101 HydrophobicContact CD1-CD1 3.76Å; I80-I101 HydrophobicContact CG1-CD1 3.98Å; W97-I101 WeakPolarHBondContact O-CD1 3.18Å; W97-I101 WeakPolarHBondContact O-CG1 3.31Å; W97-I101 PolarHBondContact O-N 2.98Å; I98-I101 PolarHBondContact O-N 2.86Å; P99-I101 PolarHBondContact O-N 3.39Å; I101-E103 VanDerWaalsContact C-N 3.31Å; I101-E103 PolarHBondContact O-N 3.07Å; I101-N104 CarbonylContact O-C 3.51Å; I101-N104 PolarHBondContact O-N 3.45Å; I101-N104 VanDerWaalsContact O-N 3.08Å; I101-T105 HydrophobicContact CG2-CG2 4.29Å; I101-T105 PolarHBondContact O-N 2.85Å; I101-T105 PolarHBondContact O-OG1 3.1Å; I101-L113 HydrophobicContact CD1-CD2 4.11Å; I101-L113 HydrophobicContact CG2-CD2 4.01Å
102T88.4Confident85.9Confident73 Ų7367.8 Ų67.845%0.44834%0.344SS..Hα-helixtrans-60.8-37.8-179.5-55.50000112.5I98 P99 N104I98-T102 PolarHBondContact O-N 3.29Å; I98-T102 PolarHBondContact O-OG1 3.09Å; P99-T102 PolarHBondContact O-N 3.43Å; T102-N104 VanDerWaalsContact C-N 3.29Å; T102-N104 PolarHBondContact O-N 3.31Å
103E88.5Confident85.8Confident156 Ų15664.2 Ų64.273%0.72933%0.329SS*.Hα-helixtrans-70.1-24.7176.4-74.4176.4-175.800113.4P99 I101P99-E103 WeakPolarHBondContact O-CB 3.25Å; P99-E103 WeakPolarHBondContact O-CG 3.43Å; P99-E103 PolarHBondContact O-N 3.41Å; I101-E103 VanDerWaalsContact C-N 3.31Å; I101-E103 PolarHBondContact O-N 3.07Å
104N86.6Confident85.9Confident51 Ų5164.1 Ų64.127%0.27333%0.328SS..THydrogen-bonded Turntrans-11113.7-174.9-68.9-81.4000113.7F69 I72 L100 I101 T102F69-N104 HydrophobicContact CD1-CB 4.19Å; F69-N104 VanDerWaalsContact CD1-CG 3.46Å; F69-N104 WeakPolarHBondContact CD1-OD1 3.37Å; F69-N104 WeakPolarHBondContact CE1-ND2 3.48Å; I72-N104 HydrophobicContact CG2-CB 4.23Å; L100-N104 WeakPolarHBondContact O-CB 3.49Å; L100-N104 PolarHBondContact O-N 3.02Å; L100-N104 PolarHBondContact O-ND2 2.95Å; I101-N104 CarbonylContact O-C 3.51Å; I101-N104 PolarHBondContact O-N 3.45Å; I101-N104 VanDerWaalsContact O-N 3.08Å; T102-N104 VanDerWaalsContact C-N 3.29Å; T102-N104 PolarHBondContact O-N 3.31Å
105T83.9Confident86.1Confident30 Ų3063 Ų6318%0.18432%0.321CS..SBendtrans-114.9145171.132.80000110.1I72 I101 K107 V111I72-T105 HydrophobicContact CG2-CG2 3.9Å; I101-T105 HydrophobicContact CG2-CG2 4.29Å; I101-T105 PolarHBondContact O-N 2.85Å; I101-T105 PolarHBondContact O-OG1 3.1Å; T105-K107 PolarHBondContact O-N 2.92Å; T105-V111 HydrophobicContact CG2-CB 4.17Å; T105-V111 HydrophobicContact CG2-CG2 3.67Å
106D74.3Confident86.2Confident130 Ų13057.2 Ų57.270%0.69529%0.29SS*.  trans-61.3131175.6-75.5-35.8000109.9D108 S109D106-D108 PolarHBondContact O-N 3.05Å; D106-D108 VanDerWaalsContact O-N 3.08Å; D106-S109 CarbonylContact O-C 3.55Å; D106-S109 PolarHBondContact O-N 3.25Å; D106-S109 VanDerWaalsContact O-O 3.08Å
107K64.1Low86.3Confident210 Ų21053.8 Ų53.891%0.91327%0.274SS*.THydrogen-bonded Turntrans-59.5-24.9-179.3-68.5-175.8179.1179.30113.4T105T105-K107 PolarHBondContact O-N 2.92Å
108D59.4Low86.3Confident170 Ų17053.4 Ų53.491%0.90927%0.273SS*.THydrogen-bonded Turntrans-88-13.4177.9-61.5-33.8000112.6D106D106-D108 PolarHBondContact O-N 3.05Å; D106-D108 VanDerWaalsContact O-N 3.08Å
109S65.2Low86.4Confident58 Ų5856.2 Ų56.241%0.40629%0.285SS..SBendtrans-11193.9177.8-160.50000110.6D106 V111D106-S109 CarbonylContact O-C 3.55Å; D106-S109 PolarHBondContact O-N 3.25Å; D106-S109 VanDerWaalsContact O-O 3.08Å; S109-V111 PolarHBondContact O-N 3.08Å
110R73.3Confident86.5Confident129 Ų12955 Ų5549%0.48728%0.278SS..  trans-74.197.9178.2-171.5175.1177.1150.5-0.9110.2P112 S139R110-P112 WeakPolarHBondContact O-CD 3.34Å; R110-S139 VanDerWaalsContact NH2-CB 3.27Å; R110-S139 PolarHBondContact NH2-O 3.2Å; R110-S139 PolarHBondContact NH2-OG 3.31Å
111V88.1Confident86.5Confident19 Ų1956.1 Ų56.112%0.11528%0.284CS..  trans-77.7119.2173.4-178.60000109.3I78 T105 S109I78-V111 HydrophobicContact CD1-CG1 3.98Å; I78-V111 HydrophobicContact CG1-CG1 4Å; T105-V111 HydrophobicContact CG2-CB 4.17Å; T105-V111 HydrophobicContact CG2-CG2 3.67Å; S109-V111 PolarHBondContact O-N 3.08Å
112P91.7Very high86.5Confident17 Ų1760.6 Ų60.611%0.1131%0.308CS..  trans-64.2142.7177.624.9-34.6000112N76 V77 I78 R110 E142 A165 V166N76-P112 VanDerWaalsContact O-CD 3.25Å; N76-P112 WeakPolarHBondContact O-CD 3.49Å; N76-P112 WeakPolarHBondContact O-CG 3.47Å; V77-P112 WeakPolarHBondContact CA-O 3.42Å; V77-P112 HydrophobicContact CB-CG 4.02Å; V77-P112 HydrophobicContact CG2-CB 4.46Å; V77-P112 HydrophobicContact CG2-CG 4.12Å; V77-P112 WeakPolarHBondContact CG2-O 3.48Å; I78-P112 PolarHBondContact N-O 3Å; I78-P112 VanDerWaalsContact N-O 3.08Å; R110-P112 WeakPolarHBondContact O-CD 3.34Å; P112-E142 HydrophobicContact CB-CG 3.88Å; P112-A165 HydrophobicContact CB-CB 4.08Å; P112-A165 HydrophobicContact CG-CB 4.29Å; P112-V166 HydrophobicContact CG-CG2 4.13Å
113L94.3Very high86.6Confident3 Ų359.9 Ų59.92%0.01630%0.303CS..EExtended strand (participates in β ladder)trans-110.4139.5176.8-54.3-177.9000110.8I78 I80 I98 I101 E140 I141 E142I78-L113 HydrophobicContact CB-CD2 3.91Å; I78-L113 WeakPolarHBondContact O-CA 3.3Å; I80-L113 HydrophobicContact CD1-CD1 4.36Å; I98-L113 HydrophobicContact CG1-CD1 4.28Å; I101-L113 HydrophobicContact CD1-CD2 4.11Å; I101-L113 HydrophobicContact CG2-CD2 4.01Å; L113-E140 HydrophobicContact CD1-CB 3.98Å; L113-E140 HydrophobicContact CG-CB 4.08Å; L113-E140 PolarHBondContact N-O 2.81Å; L113-I141 HydrophobicContact CB-CG1 4.23Å; L113-I141 WeakPolarHBondContact O-CA 3.41Å; L113-E142 PolarHBondContact O-N 2.88Å
114I95.7Very high86.2Confident0 Ų061.2 Ų61.20%031%0.309CS..EExtended strand (participates in β ladder)trans-122.5127.3171.5-61.6-168.9000109.3V77 I78 C79 I80 V116 T143 V145 L158 A162 A165V77-I114 HydrophobicContact CG2-CD1 4.25Å; V77-I114 HydrophobicContact CG2-CG1 4.15Å; I78-I114 PolarHBondContact O-N 3.34Å; C79-I114 CarbonylContact C-O 3.52Å; C79-I114 WeakPolarHBondContact CA-O 3.4Å; I80-I114 PolarHBondContact N-O 3.05Å; I114-V116 HydrophobicContact CG2-CG2 4.22Å; I114-T143 HydrophobicContact CD1-CG2 4.03Å; I114-T143 HydrophobicContact CG1-CG2 4.17Å; I114-T143 HydrophobicContact CG2-CG2 4.06Å; I114-V145 HydrophobicContact CG2-CG2 4.32Å; I114-L158 HydrophobicContact CG2-CD1 4.01Å; I114-A162 HydrophobicContact CD1-CB 3.8Å; I114-A162 VanDerWaalsContact CD1-N 3.3Å; I114-A165 HydrophobicContact CD1-CB 4.48Å
115L96.1Very high85.9Confident0 Ų066 Ų660%033%0.33CS..EExtended strand (participates in β ladder)trans-85133.2172.2-62.7-172.3000110.1I80 Y82 V93 I131 I134 M135 I141 T143 C144 V145I80-L115 HydrophobicContact CB-CD2 4.03Å; I80-L115 HydrophobicContact CD1-CD2 4.25Å; Y82-L115 HydrophobicContact CE1-CB 4.25Å; V93-L115 HydrophobicContact CG1-CD2 3.58Å; L115-I131 HydrophobicContact CD1-CG2 3.54Å; L115-I134 HydrophobicContact CD1-CG2 4.32Å; L115-M135 HydrophobicContact CD1-CG 4.46Å; L115-I141 HydrophobicContact CD1-CD1 3.92Å; L115-I141 HydrophobicContact CD1-CG2 4.22Å; L115-I141 HydrophobicContact CD2-CD1 4.33Å; L115-I141 HydrophobicContact CG-CD1 4.14Å; L115-I141 HydrophobicContact CG-CG2 3.88Å; L115-T143 PolarHBondContact N-O 3.03Å; L115-C144 HydrophobicContact CB-CB 4.09Å; L115-C144 CarbonylContact O-C 3.51Å; L115-C144 VanDerWaalsContact O-CA 3.29Å; L115-C144 WeakPolarHBondContact O-CA 3.42Å; L115-V145 PolarHBondContact O-N 3.22Å
116V97.4Very high85.7Confident0 Ų067.8 Ų67.80%034%0.343CS..EExtended strand (participates in β ladder)trans-124103.7-177.3-168.40000109.9L20 C79 I80 V81 Y82 I114 N118 V145 C147 L158L20-V116 HydrophobicContact CD1-CG1 3.92Å; C79-V116 HydrophobicContact CB-CG2 3.89Å; I80-V116 PolarHBondContact O-N 3.4Å; V81-V116 WeakPolarHBondContact CA-O 3.49Å; V81-V116 HydrophobicContact CB-CB 4.36Å; V81-V116 HydrophobicContact CG1-CB 4.34Å; V81-V116 HydrophobicContact CG1-CG1 4.43Å; V81-V116 HydrophobicContact CG2-CB 4.06Å; V81-V116 HydrophobicContact CG2-CG2 4.31Å; Y82-V116 WeakPolarHBondContact CD1-O 3.35Å; Y82-V116 PolarHBondContact N-O 2.95Å; Y82-V116 VanDerWaalsContact O-O 3.13Å; I114-V116 HydrophobicContact CG2-CG2 4.22Å; V116-N118 PolarHBondContact O-N 2.95Å; V116-V145 WeakPolarHBondContact CA-O 3.25Å; V116-C147 HydrophobicContact CG1-CB 4.43Å; V116-L158 HydrophobicContact CB-CD1 4.32Å; V116-L158 HydrophobicContact CG1-CD1 4.07Å; V116-L158 HydrophobicContact CG1-CD2 3.67Å; V116-L158 HydrophobicContact CG1-CG 4.47Å; V116-L158 HydrophobicContact CG2-CD1 3.34Å; V116-L158 HydrophobicContact CG2-CD2 4.14Å; V116-L158 HydrophobicContact CG2-CG 4.38Å
117G96.3Very high85.9Confident0 Ų062.2 Ų62.20%031%0.314CS..EExtended strand (participates in β ladder)trans-85.390.8175.800000111Y82 V145 E146 C147Y82-G117 WeakPolarHBondContact OH-CA 3.36Å; G117-V145 PolarHBondContact N-O 3.44Å; G117-E146 CarbonylContact O-C 3.43Å; G117-E146 WeakPolarHBondContact O-CA 3.4Å; G117-C147 PolarHBondContact O-N 3.31Å
118N96.3Very high86.7Confident3 Ų355 Ų552%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-86.1165.1-178.8-167.426.2000112.5V15 G16 L20 V81 Y82 A83 V84 V116 C147 A149V15-N118 PolarHBondContact O-ND2 3.32Å; G16-N118 PolarHBondContact O-ND2 3.35Å; L20-N118 HydrophobicContact CD1-CB 4.38Å; V81-N118 HydrophobicContact CG1-CB 3.95Å; Y82-N118 PolarHBondContact O-N 2.92Å; A83-N118 WeakPolarHBondContact CA-O 3.3Å; V84-N118 WeakPolarHBondContact CG2-O 3.43Å; V84-N118 PolarHBondContact N-O 3.49Å; V116-N118 PolarHBondContact O-N 2.95Å; N118-C147 CarbonylContact C-O 3.6Å; N118-C147 WeakPolarHBondContact CA-O 3.43Å; N118-A149 PolarHBondContact OD1-N 3.44Å
119K95.6Very high87.8Confident59 Ų5955 Ų5526%0.25728%0.279SS..  trans67.334.3-177.3-47.9-175.4-174.5179.70113.7K14 A83 V84 D121 L122 C147K14-K119 WeakPolarHBondContact O-CE 3.42Å; K14-K119 PolarHBondContact O-NZ 3.22Å; A83-K119 HydrophobicContact CB-CD 4.15Å; V84-K119 VanDerWaalsContact CG2-O 3.3Å; V84-K119 WeakPolarHBondContact CG2-O 3.46Å; K119-D121 WeakPolarHBondContact CA-OD1 3.43Å; K119-D121 PolarHBondContact O-N 2.87Å; K119-L122 HydrophobicContact CB-CD1 3.95Å; K119-L122 HydrophobicContact CB-CG 4.23Å; K119-L122 HydrophobicContact CD-CD1 3.99Å; K119-L122 PolarHBondContact O-N 3.05Å; K119-C147 PolarHBondContact N-O 3.43Å; K119-C147 VanDerWaalsContact N-O 3.12Å
120S94.7Very high88.7Confident18 Ų1856.1 Ų56.113%0.12628%0.284CS..G310 helixtrans-60.2-14.7176.575.40000113.5L122 V123 C147 S148S120-L122 PolarHBondContact O-N 3Å; S120-V123 VanDerWaalsContact O-O 3.12Å; S120-C147 WeakPolarHBondContact CB-O 3.25Å; S120-C147 PolarHBondContact N-O 2.97Å; S120-C147 PolarHBondContact OG-O 3.42Å; S120-S148 WeakPolarHBondContact OG-CB 3.42Å
121D94.1Very high89.4Confident49 Ų4950 Ų5026%0.26226%0.261SS..G310 helixtrans-69.9-15.9172.756.8-70.9000114.1K119 S148 K150 N151K119-D121 WeakPolarHBondContact CA-OD1 3.43Å; K119-D121 PolarHBondContact O-N 2.87Å; D121-S148 WeakPolarHBondContact CB-OG 3.33Å; D121-S148 VanDerWaalsContact CG-OG 3.26Å; D121-S148 WeakPolarHBondContact OD1-CB 3.47Å; D121-S148 PolarHBondContact OD1-OG 2.88Å; D121-K150 WeakPolarHBondContact OD2-CD 3.39Å; D121-N151 WeakPolarHBondContact CB-ND2 3.29Å
122L93.1Very high89.3Confident98 Ų9853.1 Ų53.151%0.51328%0.276SS..G310 helixtrans-94.3-2.7-178.2-59.3-177.5000113.8N85 K119 S120N85-L122 HydrophobicContact CB-CB 4.25Å; N85-L122 WeakPolarHBondContact ND2-CD1 3.33Å; K119-L122 HydrophobicContact CB-CD1 3.95Å; K119-L122 HydrophobicContact CB-CG 4.23Å; K119-L122 HydrophobicContact CD-CD1 3.99Å; K119-L122 PolarHBondContact O-N 3.05Å; S120-L122 PolarHBondContact O-N 3Å
123V89.1Confident89.1Confident58 Ų5856.1 Ų56.135%0.35230%0.296SS..  trans-137.3137.5-175-165.70000109.6V84 N85 S120 H125V84-V123 HydrophobicContact CB-CG2 4.47Å; V84-V123 HydrophobicContact CG2-CB 4.32Å; V84-V123 HydrophobicContact CG2-CG2 3.67Å; N85-V123 HydrophobicContact CB-CG2 3.79Å; S120-V123 VanDerWaalsContact O-O 3.12Å; V123-H125 VanDerWaalsContact CG1-O 3.31Å; V123-H125 WeakPolarHBondContact CG1-O 3.35Å
124E80.6Confident88.9Confident184 Ų18456.8 Ų56.886%0.8630%0.299SS*.SBendtrans-80.2-26.4179.5-65.4-174.2169.600113.1
125H79.6Confident88.4Confident152 Ų15258.8 Ų58.870%0.70431%0.309SS*.SBendtrans-111145.5-178.4-56.8-42.4000111.6V123V123-H125 VanDerWaalsContact CG1-O 3.31Å; V123-H125 WeakPolarHBondContact CG1-O 3.35Å
126S79.8Confident87.8Confident66 Ų6665.5 Ų65.546%0.46235%0.345SS..  trans-68.8141.3179.1-177.30000111.4M128 E146S126-M128 PolarHBondContact O-N 3.41Å; S126-M128 WeakPolarHBondContact OG-CB 3.3Å; S126-M128 WeakPolarHBondContact OG-CG 3.01Å; S126-M128 PolarHBondContact OG-N 2.89Å; S126-E146 WeakPolarHBondContact CB-OE2 3.49Å; S126-E146 PolarHBondContact OG-OE1 3.43Å; S126-E146 PolarHBondContact OG-OE2 3.05Å
127S80.4Confident87.3Confident13 Ų1371.7 Ų71.79%0.09137%0.374CS..THydrogen-bonded Turntrans-76.2-3.2173.469.30000113.5Y82 E129 T130 I131 E146Y82-S127 PolarHBondContact OH-OG 3.27Å; S127-E129 VanDerWaalsContact C-N 3.3Å; S127-E129 PolarHBondContact O-N 3Å; S127-T130 WeakPolarHBondContact O-CB 3.35Å; S127-T130 PolarHBondContact O-N 3.38Å; S127-I131 PolarHBondContact O-N 2.68Å; S127-E146 WeakPolarHBondContact CA-OE1 3.35Å; S127-E146 WeakPolarHBondContact CB-OE1 3.45Å; S127-E146 PolarHBondContact N-OE1 2.96Å; S127-E146 PolarHBondContact OG-OE1 2.59Å
128M79.4Confident86.8Confident58 Ų5874 Ų7429%0.28638%0.383SS..Hα-helixtrans-56-35.6-173.5-73.7-63.8-67.700114.4S126 T130 I131 L132 C144S126-M128 PolarHBondContact O-N 3.41Å; S126-M128 WeakPolarHBondContact OG-CB 3.3Å; S126-M128 WeakPolarHBondContact OG-CG 3.01Å; S126-M128 PolarHBondContact OG-N 2.89Å; M128-T130 PolarHBondContact O-N 2.86Å; M128-I131 PolarHBondContact O-N 2.7Å; M128-I131 VanDerWaalsContact O-N 3.09Å; M128-L132 VanDerWaalsContact O-CG 3.26Å; M128-L132 WeakPolarHBondContact O-CG 3.41Å; M128-L132 PolarHBondContact O-N 3.04Å; M128-C144 HydrophobicContact CE-CB 4.5Å; M128-C144 HydrophobicContact SD-CB 4.14Å
129E82.5Confident86Confident170 Ų17076.2 Ų76.279%0.79440%0.399SS*.Hα-helixtrans-60-32.7176.5-68.8-172.8169.800112.7S127 P133S127-E129 VanDerWaalsContact C-N 3.3Å; S127-E129 PolarHBondContact O-N 3Å; E129-P133 WeakPolarHBondContact O-CD 3.45Å
130T84.3Confident85.5Confident83 Ų8376.2 Ų76.251%0.50940%0.4SS..Hα-helixtrans-80.3-27.8177.8-530000111.9I90 S127 M128I90-T130 HydrophobicContact CG2-CG2 4.21Å; S127-T130 WeakPolarHBondContact O-CB 3.35Å; S127-T130 PolarHBondContact O-N 3.38Å; M128-T130 PolarHBondContact O-N 2.86Å
131I88.3Confident85.3Confident0 Ų075.9 Ų75.90%040%0.396CS..Hα-helixtrans-88.5-32.4-175.3-60.4-61.1000112.9Y82 I90 L115 S127 M128 P133 I134 M135 C144Y82-I131 HydrophobicContact CE1-CD1 3.97Å; Y82-I131 HydrophobicContact CE1-CG1 4.5Å; Y82-I131 HydrophobicContact CE2-CD1 4.17Å; Y82-I131 WeakPolarHBondContact OH-CG1 3.44Å; I90-I131 HydrophobicContact CG2-CD1 4.03Å; L115-I131 HydrophobicContact CD1-CG2 3.54Å; S127-I131 PolarHBondContact O-N 2.68Å; M128-I131 PolarHBondContact O-N 2.7Å; M128-I131 VanDerWaalsContact O-N 3.09Å; I131-P133 VanDerWaalsContact C-CD 3.48Å; I131-P133 VanDerWaalsContact C-N 3.34Å; I131-I134 HydrophobicContact CD1-CD1 4.09Å; I131-I134 WeakPolarHBondContact O-CA 3.1Å; I131-I134 WeakPolarHBondContact O-CB 3.46Å; I131-I134 PolarHBondContact O-N 3.38Å; I131-M135 HydrophobicContact CG2-CG 3.93Å; I131-M135 HydrophobicContact CG2-SD 4.06Å; I131-M135 PolarHBondContact O-N 3.27Å; I131-C144 HydrophobicContact CG2-CB 4.04Å
132L85.8Confident84.9Confident85 Ų8576.1 Ų76.145%0.44540%0.396SS..Hα-helixtrans-51.3-43.8179.7-78.4166.9000113.7M128 I134 M135 N136M128-L132 VanDerWaalsContact O-CG 3.26Å; M128-L132 WeakPolarHBondContact O-CG 3.41Å; M128-L132 PolarHBondContact O-N 3.04Å; L132-I134 VanDerWaalsContact C-N 3.31Å; L132-I134 PolarHBondContact O-N 2.79Å; L132-M135 PolarHBondContact O-N 3.47Å; L132-N136 PolarHBondContact O-N 3.29Å; L132-N136 VanDerWaalsContact O-N 3.12Å; L132-N136 PolarHBondContact O-ND2 3.35Å
133P88.2Confident84.8Confident80 Ų8073.3 Ų73.352%0.51938%0.383SS..Hα-helixtrans-61.4-37.3174.4-23.434.6000113.4E129 I131 N136 Q137E129-P133 WeakPolarHBondContact O-CD 3.45Å; I131-P133 VanDerWaalsContact C-CD 3.48Å; I131-P133 VanDerWaalsContact C-N 3.34Å; P133-N136 PolarHBondContact O-N 2.96Å; P133-Q137 WeakPolarHBondContact O-CB 3.33Å; P133-Q137 PolarHBondContact O-N 2.68Å
134I88.7Confident84.9Confident17 Ų1771.3 Ų71.39%0.08737%0.371CS..Hα-helixtrans-66.8-45.1179.6-57.2172.9000109.8I90 T94 I98 L115 I131 L132 N136 Q137 Y138 I141I90-I134 HydrophobicContact CG2-CD1 4.44Å; T94-I134 HydrophobicContact CG2-CB 4.34Å; T94-I134 HydrophobicContact CG2-CD1 3.8Å; T94-I134 HydrophobicContact CG2-CG1 3.83Å; T94-I134 HydrophobicContact CG2-CG2 3.62Å; I98-I134 HydrophobicContact CD1-CG2 4.32Å; L115-I134 HydrophobicContact CD1-CG2 4.32Å; I131-I134 HydrophobicContact CD1-CD1 4.09Å; I131-I134 WeakPolarHBondContact O-CA 3.1Å; I131-I134 WeakPolarHBondContact O-CB 3.46Å; I131-I134 PolarHBondContact O-N 3.38Å; L132-I134 VanDerWaalsContact C-N 3.31Å; L132-I134 PolarHBondContact O-N 2.79Å; I134-N136 VanDerWaalsContact C-N 3.28Å; I134-N136 PolarHBondContact O-N 3.02Å; I134-Q137 WeakPolarHBondContact O-CB 3.19Å; I134-Q137 PolarHBondContact O-N 3.08Å; I134-Y138 HydrophobicContact CG2-CD2 3.86Å; I134-Y138 HydrophobicContact CG2-CE2 4.21Å; I134-Y138 WeakPolarHBondContact O-CD2 3.21Å; I134-Y138 PolarHBondContact O-N 3.44Å; I134-I141 HydrophobicContact CG2-CD1 3.9Å
135M86.1Confident85.6Confident42 Ų4263 Ų6321%0.20733%0.333CS..Hα-helixtrans-60.6-37.8176.2-65.7-178.967.600112.3L115 I131 L132 Q137 I141 C144L115-M135 HydrophobicContact CD1-CG 4.46Å; I131-M135 HydrophobicContact CG2-CG 3.93Å; I131-M135 HydrophobicContact CG2-SD 4.06Å; I131-M135 PolarHBondContact O-N 3.27Å; L132-M135 PolarHBondContact O-N 3.47Å; M135-Q137 VanDerWaalsContact C-N 3.29Å; M135-Q137 PolarHBondContact O-N 3.37Å; M135-I141 HydrophobicContact CE-CG2 4.43Å; M135-I141 HydrophobicContact CG-CG2 3.95Å; M135-C144 HydrophobicContact CE-CB 4.44Å; M135-C144 HydrophobicContact SD-CB 3.73Å
136N82.8Confident86.3Confident141 Ų14157 Ų5775%0.75431%0.305SS*.Hα-helixtrans-72.2-23.5176.2-69.2-32.3000113.1L132 P133 I134L132-N136 PolarHBondContact O-N 3.29Å; L132-N136 VanDerWaalsContact O-N 3.12Å; L132-N136 PolarHBondContact O-ND2 3.35Å; P133-N136 PolarHBondContact O-N 2.96Å; I134-N136 VanDerWaalsContact C-N 3.28Å; I134-N136 PolarHBondContact O-N 3.02Å
137Q87.4Confident87.1Confident130 Ų13053.9 Ų53.961%0.60728%0.284SS*.Hα-helixtrans-82.3-38179.4-177.5178.6-1.400112.2P133 I134 M135P133-Q137 WeakPolarHBondContact O-CB 3.33Å; P133-Q137 PolarHBondContact O-N 2.68Å; I134-Q137 WeakPolarHBondContact O-CB 3.19Å; I134-Q137 PolarHBondContact O-N 3.08Å; M135-Q137 VanDerWaalsContact C-N 3.29Å; M135-Q137 PolarHBondContact O-N 3.37Å
138Y86.5Confident87.8Confident47 Ų4753.3 Ų53.318%0.18428%0.279CS..  trans-114.5102.8-175.3-62.2-80.9000110.7T94 I98 I134 E140 I141T94-Y138 HydrophobicContact CG2-CE2 4Å; I98-Y138 HydrophobicContact CD1-CD2 3.8Å; I98-Y138 HydrophobicContact CD1-CE2 4.04Å; I98-Y138 HydrophobicContact CD1-CG 4.04Å; I98-Y138 HydrophobicContact CG2-CD1 3.58Å; I98-Y138 HydrophobicContact CG2-CE1 3.61Å; I98-Y138 HydrophobicContact CG2-CG 4.14Å; I134-Y138 HydrophobicContact CG2-CD2 3.86Å; I134-Y138 HydrophobicContact CG2-CE2 4.21Å; I134-Y138 WeakPolarHBondContact O-CD2 3.21Å; I134-Y138 PolarHBondContact O-N 3.44Å; Y138-E140 PolarHBondContact O-N 3.46Å; Y138-E140 VanDerWaalsContact O-N 3.16Å; Y138-I141 HydrophobicContact CD2-CD1 4.35Å; Y138-I141 HydrophobicContact CG-CD1 4.4Å; Y138-I141 WeakPolarHBondContact O-CB 3.23Å; Y138-I141 PolarHBondContact O-N 2.9Å; Y138-I141 VanDerWaalsContact O-N 3.11Å
139S79.4Confident88.6Confident51 Ų5150.7 Ų50.736%0.35727%0.267SS..THydrogen-bonded Turntrans-66.3-17-176.271.60000113.6R110 I141R110-S139 VanDerWaalsContact NH2-CB 3.27Å; R110-S139 PolarHBondContact NH2-O 3.2Å; R110-S139 PolarHBondContact NH2-OG 3.31Å; S139-I141 PolarHBondContact O-N 3.05Å
140E85Confident89.2Confident58 Ų5848.4 Ų48.427%0.27125%0.254SS..THydrogen-bonded Turntrans-70.7-18.6176-6079.3-176.100112.4L113 Y138 E142L113-E140 HydrophobicContact CD1-CB 3.98Å; L113-E140 HydrophobicContact CG-CB 4.08Å; L113-E140 PolarHBondContact N-O 2.81Å; Y138-E140 PolarHBondContact O-N 3.46Å; Y138-E140 VanDerWaalsContact O-N 3.16Å; E140-E142 PolarHBondContact O-N 2.94Å
141I89.5Confident89.7Confident12 Ų1249.4 Ų49.46%0.06226%0.257CS..EExtended strand (participates in β ladder)trans-79.8108.1176.5-55.6174.3000108.9I98 L113 L115 I134 M135 Y138 S139I98-I141 HydrophobicContact CD1-CD1 3.89Å; L113-I141 HydrophobicContact CB-CG1 4.23Å; L113-I141 WeakPolarHBondContact O-CA 3.41Å; L115-I141 HydrophobicContact CD1-CD1 3.92Å; L115-I141 HydrophobicContact CD1-CG2 4.22Å; L115-I141 HydrophobicContact CD2-CD1 4.33Å; L115-I141 HydrophobicContact CG-CD1 4.14Å; L115-I141 HydrophobicContact CG-CG2 3.88Å; I134-I141 HydrophobicContact CG2-CD1 3.9Å; M135-I141 HydrophobicContact CE-CG2 4.43Å; M135-I141 HydrophobicContact CG-CG2 3.95Å; Y138-I141 HydrophobicContact CD2-CD1 4.35Å; Y138-I141 HydrophobicContact CG-CD1 4.4Å; Y138-I141 WeakPolarHBondContact O-CB 3.23Å; Y138-I141 PolarHBondContact O-N 2.9Å; Y138-I141 VanDerWaalsContact O-N 3.11Å; S139-I141 PolarHBondContact O-N 3.05Å
142E86.6Confident89.9Confident53 Ų5353 Ų5325%0.24828%0.276CS..EExtended strand (participates in β ladder)trans-77.7-41.5179.3-73.8-77.1163.700111.3P112 L113 E140 A165 T170P112-E142 HydrophobicContact CB-CG 3.88Å; L113-E142 PolarHBondContact O-N 2.88Å; E140-E142 PolarHBondContact O-N 2.94Å; E142-A165 HydrophobicContact CB-CB 4.36Å; E142-A165 HydrophobicContact CG-CB 4.19Å; E142-T170 WeakPolarHBondContact OE2-CB 3.34Å; E142-T170 PolarHBondContact OE2-OG1 3.03Å
143T90.1Very high90.4Very high40 Ų4054 Ų5425%0.24528%0.277CS..EExtended strand (participates in β ladder)trans-158167.1-177.9-1660000113I114 L115 V145 Y161I114-T143 HydrophobicContact CD1-CG2 4.03Å; I114-T143 HydrophobicContact CG1-CG2 4.17Å; I114-T143 HydrophobicContact CG2-CG2 4.06Å; L115-T143 PolarHBondContact N-O 3.03Å; T143-V145 HydrophobicContact CG2-CG2 4.25Å; T143-Y161 HydrophobicContact CG2-CG 4.49Å
144C92.8Very high90.7Very high15 Ų1552.8 Ų52.810%0.10127%0.265CS..EExtended strand (participates in β ladder)trans-122.6133.4170.1-178.20000109.7L115 M128 I131 M135L115-C144 HydrophobicContact CB-CB 4.09Å; L115-C144 CarbonylContact O-C 3.51Å; L115-C144 VanDerWaalsContact O-CA 3.29Å; L115-C144 WeakPolarHBondContact O-CA 3.42Å; M128-C144 HydrophobicContact CE-CB 4.5Å; M128-C144 HydrophobicContact SD-CB 4.14Å; I131-C144 HydrophobicContact CG2-CB 4.04Å; M135-C144 HydrophobicContact CE-CB 4.44Å; M135-C144 HydrophobicContact SD-CB 3.73Å
145V94Very high91Very high9 Ų952.3 Ų52.36%0.05526%0.263CS..EExtended strand (participates in β ladder)trans-123.6115.3178.1-168.60000109.8I114 L115 V116 G117 T143 N154 L158 Y161I114-V145 HydrophobicContact CG2-CG2 4.32Å; L115-V145 PolarHBondContact O-N 3.22Å; V116-V145 WeakPolarHBondContact CA-O 3.25Å; G117-V145 PolarHBondContact N-O 3.44Å; T143-V145 HydrophobicContact CG2-CG2 4.25Å; V145-N154 HydrophobicContact CG1-CB 3.96Å; V145-L158 HydrophobicContact CB-CD1 4.43Å; V145-L158 HydrophobicContact CG1-CB 4.34Å; V145-L158 HydrophobicContact CG2-CD1 4.5Å; V145-Y161 HydrophobicContact CG2-CD2 3.85Å
146E94.6Very high91.2Very high28 Ų2854.1 Ų54.113%0.13128%0.28CS..EExtended strand (participates in β ladder)trans-82.8121.8171.7-67.9-165.4151.500110.5G117 S126 S127 N154G117-E146 CarbonylContact O-C 3.43Å; G117-E146 WeakPolarHBondContact O-CA 3.4Å; S126-E146 WeakPolarHBondContact CB-OE2 3.49Å; S126-E146 PolarHBondContact OG-OE1 3.43Å; S126-E146 PolarHBondContact OG-OE2 3.05Å; S127-E146 WeakPolarHBondContact CA-OE1 3.35Å; S127-E146 WeakPolarHBondContact CB-OE1 3.45Å; S127-E146 PolarHBondContact N-OE1 2.96Å; S127-E146 PolarHBondContact OG-OE1 2.59Å; E146-N154 WeakPolarHBondContact O-CB 3.34Å; E146-N154 PolarHBondContact O-ND2 3.05Å
147C95.9Very high91.7Very high0 Ų051.4 Ų51.40%026%0.262CS..  trans-123.1157.9-172.6-57.30000111.9L20 V116 G117 N118 K119 S120 K153 N154 I155L20-C147 HydrophobicContact CD2-CB 3.9Å; V116-C147 HydrophobicContact CG1-CB 4.43Å; G117-C147 PolarHBondContact O-N 3.31Å; N118-C147 CarbonylContact C-O 3.6Å; N118-C147 WeakPolarHBondContact CA-O 3.43Å; K119-C147 PolarHBondContact N-O 3.43Å; K119-C147 VanDerWaalsContact N-O 3.12Å; S120-C147 WeakPolarHBondContact CB-O 3.25Å; S120-C147 PolarHBondContact N-O 2.97Å; S120-C147 PolarHBondContact OG-O 3.42Å; C147-K153 WeakPolarHBondContact CA-O 3.3Å; C147-N154 PolarHBondContact SG-O 3.25Å; C147-I155 HydrophobicContact CB-CD1 4.23Å
148S96.3Very high92Very high0 Ų045.2 Ų45.20%023%0.234CC..BIsolated β-bridgetrans-132.8107.2161.3173.50000108.9S120 D121 K150 N151 L152 K153S120-S148 WeakPolarHBondContact OG-CB 3.42Å; D121-S148 WeakPolarHBondContact CB-OG 3.33Å; D121-S148 VanDerWaalsContact CG-OG 3.26Å; D121-S148 WeakPolarHBondContact OD1-CB 3.47Å; D121-S148 PolarHBondContact OD1-OG 2.88Å; S148-K150 PolarHBondContact O-N 3.24Å; S148-K150 PolarHBondContact OG-N 3.24Å; S148-N151 PolarHBondContact O-N 2.92Å; S148-N151 PolarHBondContact OG-N 2.97Å; S148-N151 VanDerWaalsContact OG-N 3.12Å; S148-L152 WeakPolarHBondContact O-CA 3.46Å; S148-L152 PolarHBondContact O-N 3.09Å; S148-K153 PolarHBondContact N-O 2.96Å; S148-K153 PolarHBondContact O-N 3.18Å
149A95.4Very high92.3Very high4 Ų443.5 Ų43.53%0.03323%0.227CC..THydrogen-bonded Turntrans-56.1-36.4171.100000111.6L20 S23 F29 N118L20-A149 HydrophobicContact CD2-CB 4.1Å; L20-A149 HydrophobicContact CG-CB 4.49Å; S23-A149 PolarHBondContact OG-O 3.44Å; F29-A149 HydrophobicContact CD2-CB 4.25Å; F29-A149 WeakPolarHBondContact CD2-O 3.4Å; F29-A149 HydrophobicContact CE2-CB 4.17Å; N118-A149 PolarHBondContact OD1-N 3.44Å
150K94.8Very high92.9Very high121 Ų12144.7 Ų44.753%0.52622%0.224SC..THydrogen-bonded Turntrans-66.3-43-178.6-172.8-178.2178.4-176.20113.2F29 D121 S148F29-K150 HydrophobicContact CD1-CG 4.43Å; F29-K150 VanDerWaalsContact CD2-CA 3.4Å; F29-K150 HydrophobicContact CD2-CB 4.1Å; F29-K150 HydrophobicContact CE2-CB 4.24Å; F29-K150 HydrophobicContact CG-CB 4.36Å; F29-K150 HydrophobicContact CG-CG 4.35Å; D121-K150 WeakPolarHBondContact OD2-CD 3.39Å; S148-K150 PolarHBondContact O-N 3.24Å; S148-K150 PolarHBondContact OG-N 3.24Å
151N95.1Very high93.1Very high105 Ų10546.7 Ų46.756%0.56123%0.23SC*.THydrogen-bonded Turntrans-99.18.9-177.7-64.7-4.9000112.6D121 S148 K153D121-N151 WeakPolarHBondContact CB-ND2 3.29Å; S148-N151 PolarHBondContact O-N 2.92Å; S148-N151 PolarHBondContact OG-N 2.97Å; S148-N151 VanDerWaalsContact OG-N 3.12Å; N151-K153 PolarHBondContact O-N 3.32Å; N151-K153 VanDerWaalsContact O-N 3.15Å
152L94.1Very high93.3Very high76 Ų7646.1 Ų46.140%0.39823%0.227SC..THydrogen-bonded Turntrans53.630.6-175.6-53.1172.4000113.6E27 S148E27-L152 WeakPolarHBondContact O-CD1 3.42Å; S148-L152 WeakPolarHBondContact O-CA 3.46Å; S148-L152 PolarHBondContact O-N 3.09Å
153K95.5Very high93.6Very high106 Ų10643.8 Ų43.846%0.46122%0.216SC..BIsolated β-bridgetrans-85.7127.6-177.2-173.1-175.3176.3-171.80110.4C147 S148 N151 I155C147-K153 WeakPolarHBondContact CA-O 3.3Å; S148-K153 PolarHBondContact N-O 2.96Å; S148-K153 PolarHBondContact O-N 3.18Å; N151-K153 PolarHBondContact O-N 3.32Å; N151-K153 VanDerWaalsContact O-N 3.15Å; K153-I155 PolarHBondContact O-N 3.18Å
154N94.3Very high93.5Very high53 Ų5342.5 Ų42.528%0.28321%0.207SC..THydrogen-bonded Turntrans59.620.2174.8-63.4-19.2000115.3V145 E146 C147 E157 L158V145-N154 HydrophobicContact CG1-CB 3.96Å; E146-N154 WeakPolarHBondContact O-CB 3.34Å; E146-N154 PolarHBondContact O-ND2 3.05Å; C147-N154 PolarHBondContact SG-O 3.25Å; N154-E157 WeakPolarHBondContact CA-OE2 3.26Å; N154-E157 HydrophobicContact CB-CB 4.43Å; N154-L158 PolarHBondContact O-N 3.26Å; N154-L158 VanDerWaalsContact O-N 3.08Å
155I94.4Very high93.4Very high7 Ų742.2 Ų42.24%0.03621%0.206CC..Hα-helixtrans-69.6-51.3-177.8-54.8-61.2000110.2L20 L24 C147 K153 E157 L158 F159L20-I155 HydrophobicContact CD2-CD1 3.33Å; L24-I155 HydrophobicContact CB-CG2 3.81Å; L24-I155 HydrophobicContact CD1-CG2 4.02Å; C147-I155 HydrophobicContact CB-CD1 4.23Å; K153-I155 PolarHBondContact O-N 3.18Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.11Å; I155-L158 WeakPolarHBondContact O-CB 3.02Å; I155-L158 PolarHBondContact O-N 2.86Å; I155-F159 HydrophobicContact CG2-CD2 4.41Å; I155-F159 HydrophobicContact CG2-CE2 4.06Å; I155-F159 WeakPolarHBondContact O-CD2 3.19Å; I155-F159 PolarHBondContact O-N 2.65Å
156S91.8Very high93.2Very high80 Ų8042.2 Ų42.256%0.55921%0.206SC*.Hα-helixtrans-63-39.4178.2-56.20000111.8L158 F159 Y160S156-L158 VanDerWaalsContact C-N 3.35Å; S156-L158 PolarHBondContact O-N 2.81Å; S156-F159 PolarHBondContact O-N 2.64Å; S156-Y160 VanDerWaalsContact O-CB 3.27Å; S156-Y160 WeakPolarHBondContact O-CB 3.48Å; S156-Y160 PolarHBondContact O-N 3.15Å
157E91.4Very high93Very high84 Ų8441 Ų4139%0.39320%0.201SC..Hα-helixtrans-61.1-40.8177.5-68.883.7165.900111.9N154 I155 Y160 Y161N154-E157 WeakPolarHBondContact CA-OE2 3.26Å; N154-E157 HydrophobicContact CB-CB 4.43Å; I155-E157 VanDerWaalsContact C-N 3.31Å; I155-E157 PolarHBondContact O-N 3.11Å; E157-Y160 PolarHBondContact O-N 3.15Å; E157-Y161 HydrophobicContact CB-CD2 4.28Å; E157-Y161 HydrophobicContact CB-CE2 4.08Å; E157-Y161 WeakPolarHBondContact O-CB 3.36Å; E157-Y161 WeakPolarHBondContact O-CD2 3.47Å; E157-Y161 PolarHBondContact O-N 3.07Å
158L94.3Very high92.7Very high0 Ų041.5 Ų41.50%020%0.203CC..Hα-helixtrans-55.2-55.1175.4166.861.5000111.6L20 I114 V116 V145 N154 I155 S156 Y160 Y161 A162L20-L158 HydrophobicContact CD1-CD2 4.2Å; I114-L158 HydrophobicContact CG2-CD1 4.01Å; V116-L158 HydrophobicContact CB-CD1 4.32Å; V116-L158 HydrophobicContact CG1-CD1 4.07Å; V116-L158 HydrophobicContact CG1-CD2 3.67Å; V116-L158 HydrophobicContact CG1-CG 4.47Å; V116-L158 HydrophobicContact CG2-CD1 3.34Å; V116-L158 HydrophobicContact CG2-CD2 4.14Å; V116-L158 HydrophobicContact CG2-CG 4.38Å; V145-L158 HydrophobicContact CB-CD1 4.43Å; V145-L158 HydrophobicContact CG1-CB 4.34Å; V145-L158 HydrophobicContact CG2-CD1 4.5Å; N154-L158 PolarHBondContact O-N 3.26Å; N154-L158 VanDerWaalsContact O-N 3.08Å; I155-L158 WeakPolarHBondContact O-CB 3.02Å; I155-L158 PolarHBondContact O-N 2.86Å; S156-L158 VanDerWaalsContact C-N 3.35Å; S156-L158 PolarHBondContact O-N 2.81Å; L158-Y160 VanDerWaalsContact C-N 3.34Å; L158-Y161 PolarHBondContact O-N 2.96Å; L158-A162 WeakPolarHBondContact O-CB 3.41Å; L158-A162 PolarHBondContact O-N 2.97Å
159F93.4Very high92.4Very high11 Ų1142.7 Ų42.75%0.04821%0.21CC..Hα-helixtrans-71-32.7-176.8-65-78.4000111.8I7 L9 I21 L24 I55 I155 S156 A162 Q163I7-F159 HydrophobicContact CD1-CB 4.5Å; I7-F159 HydrophobicContact CD1-CD1 3.94Å; L9-F159 HydrophobicContact CD1-CE1 4.01Å; I21-F159 HydrophobicContact CG1-CZ 4.38Å; L24-F159 HydrophobicContact CB-CD2 4.39Å; L24-F159 HydrophobicContact CB-CE2 3.98Å; L24-F159 HydrophobicContact CD1-CD2 3.86Å; L24-F159 HydrophobicContact CD1-CE2 4.3Å; L24-F159 HydrophobicContact CD2-CD1 4.3Å; L24-F159 HydrophobicContact CD2-CD2 3.46Å; L24-F159 VanDerWaalsContact CD2-CD2 3.46Å; L24-F159 HydrophobicContact CD2-CE1 4.41Å; L24-F159 HydrophobicContact CD2-CE2 3.62Å; L24-F159 HydrophobicContact CD2-CG 3.84Å; L24-F159 HydrophobicContact CD2-CZ 4.09Å; L24-F159 HydrophobicContact CG-CD2 4.1Å; L24-F159 HydrophobicContact CG-CE2 4.17Å; I55-F159 HydrophobicContact CD1-CD1 3.57Å; I55-F159 HydrophobicContact CD1-CE1 3.58Å; I55-F159 HydrophobicContact CD1-CG 4.24Å; I55-F159 HydrophobicContact CD1-CZ 4.26Å; I55-F159 HydrophobicContact CG1-CD1 4.01Å; I55-F159 HydrophobicContact CG1-CE1 3.97Å; I55-F159 HydrophobicContact CG2-CE1 3.72Å; I55-F159 HydrophobicContact CG2-CZ 4.39Å; I155-F159 HydrophobicContact CG2-CD2 4.41Å; I155-F159 HydrophobicContact CG2-CE2 4.06Å; I155-F159 WeakPolarHBondContact O-CD2 3.19Å; I155-F159 PolarHBondContact O-N 2.65Å; S156-F159 PolarHBondContact O-N 2.64Å; F159-A162 PolarHBondContact O-N 3.4Å; F159-Q163 WeakPolarHBondContact O-CB 3.22Å; F159-Q163 PolarHBondContact O-N 3.37Å
160Y90.8Very high92.1Very high76 Ų7643.6 Ų43.630%0.29822%0.216SC..Hα-helixtrans-60.8-49.7171.2172-105.7000111.9P48 S156 E157 L158 A162 Q163 K164P48-Y160 HydrophobicContact CB-CE2 4.44Å; P48-Y160 HydrophobicContact CG-CD2 4.19Å; P48-Y160 HydrophobicContact CG-CE2 4.48Å; S156-Y160 VanDerWaalsContact O-CB 3.27Å; S156-Y160 WeakPolarHBondContact O-CB 3.48Å; S156-Y160 PolarHBondContact O-N 3.15Å; E157-Y160 PolarHBondContact O-N 3.15Å; L158-Y160 VanDerWaalsContact C-N 3.34Å; Y160-A162 VanDerWaalsContact C-N 3.32Å; Y160-A162 PolarHBondContact O-N 3.04Å; Y160-Q163 PolarHBondContact O-N 3.08Å; Y160-K164 HydrophobicContact CE1-CD 4.27Å; Y160-K164 VanDerWaalsContact O-CB 3.3Å; Y160-K164 WeakPolarHBondContact O-CB 3.46Å; Y160-K164 PolarHBondContact O-N 3.16Å
161Y91Very high91.7Very high100 Ų10038.7 Ų38.739%0.39220%0.199SC..Hα-helixtrans-65.9-35.1178-72.5-54000112.4T143 V145 E157 L158 K164 A165T143-Y161 HydrophobicContact CG2-CG 4.49Å; V145-Y161 HydrophobicContact CG2-CD2 3.85Å; E157-Y161 HydrophobicContact CB-CD2 4.28Å; E157-Y161 HydrophobicContact CB-CE2 4.08Å; E157-Y161 WeakPolarHBondContact O-CB 3.36Å; E157-Y161 WeakPolarHBondContact O-CD2 3.47Å; E157-Y161 PolarHBondContact O-N 3.07Å; L158-Y161 PolarHBondContact O-N 2.96Å; Y161-K164 PolarHBondContact O-N 2.71Å; Y161-A165 WeakPolarHBondContact O-CB 3.42Å; Y161-A165 PolarHBondContact O-N 3.11Å
162A92.9Very high91.5Very high0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-60.5-48.5172.400000112.2I7 V77 I114 L158 F159 Y160 A165I7-A162 HydrophobicContact CD1-CB 3.69Å; I7-A162 HydrophobicContact CG1-CB 4.16Å; I7-A162 HydrophobicContact CG2-CB 4.15Å; V77-A162 HydrophobicContact CG1-CB 4.03Å; V77-A162 HydrophobicContact CG2-CB 4.24Å; I114-A162 HydrophobicContact CD1-CB 3.8Å; I114-A162 VanDerWaalsContact CD1-N 3.3Å; L158-A162 WeakPolarHBondContact O-CB 3.41Å; L158-A162 PolarHBondContact O-N 2.97Å; F159-A162 PolarHBondContact O-N 3.4Å; Y160-A162 VanDerWaalsContact C-N 3.32Å; Y160-A162 PolarHBondContact O-N 3.04Å; A162-A165 PolarHBondContact O-N 3.43Å
163Q91.7Very high91.4Very high5 Ų531.8 Ų31.82%0.02317%0.165CC..Hα-helixtrans-61.9-45.7176.1-165.4-175.637.900111.3V5 V51 T53 F159 Y160 A165 V166 L167V5-Q163 HydrophobicContact CB-CG 4.45Å; V5-Q163 HydrophobicContact CG2-CG 4.2Å; V51-Q163 PolarHBondContact O-NE2 3.08Å; T53-Q163 PolarHBondContact OG1-NE2 3.23Å; F159-Q163 WeakPolarHBondContact O-CB 3.22Å; F159-Q163 PolarHBondContact O-N 3.37Å; Y160-Q163 PolarHBondContact O-N 3.08Å; Q163-A165 PolarHBondContact O-N 2.89Å; Q163-V166 PolarHBondContact O-N 3.03Å; Q163-L167 HydrophobicContact CG-CD1 3.77Å; Q163-L167 HydrophobicContact CG-CG 4.37Å; Q163-L167 WeakPolarHBondContact O-CG 3.49Å; Q163-L167 PolarHBondContact O-N 3.32Å
164K89.4Confident91.2Very high13 Ų1327.7 Ų27.76%0.05715%0.147CC..Hα-helixtrans-62-40.5-179.2-173.8177.5177.7179.10113Y160 Y161 V166 L167 H168 G262 E265Y160-K164 HydrophobicContact CE1-CD 4.27Å; Y160-K164 VanDerWaalsContact O-CB 3.3Å; Y160-K164 WeakPolarHBondContact O-CB 3.46Å; Y160-K164 PolarHBondContact O-N 3.16Å; Y161-K164 PolarHBondContact O-N 2.71Å; K164-V166 PolarHBondContact O-N 3.03Å; K164-L167 PolarHBondContact O-N 3.06Å; K164-H168 HydrophobicContact CG-CB 4.45Å; K164-H168 PolarHBondContact O-N 3.14Å; K164-G262 PolarHBondContact NZ-O 3.46Å; K164-G262 VanDerWaalsContact NZ-O 3.15Å; K164-E265 WeakPolarHBondContact CE-OE2 3.27Å; K164-E265 IonicContact NZ-OE1 3.25Å; K164-E265 PolarHBondContact NZ-OE1 3.01Å; K164-E265 VanDerWaalsContact NZ-OE1 3.15Å; K164-E265 IonicContact NZ-OE2 2.68Å; K164-E265 PolarHBondContact NZ-OE2 3.49Å
165A89.6Confident90.8Very high8 Ų826.3 Ų26.37%0.06614%0.14CC..Hα-helixtrans-59.6-31.3178.400000112.9P112 I114 E142 Y161 A162 Q163P112-A165 HydrophobicContact CB-CB 4.08Å; P112-A165 HydrophobicContact CG-CB 4.29Å; I114-A165 HydrophobicContact CD1-CB 4.48Å; E142-A165 HydrophobicContact CB-CB 4.36Å; E142-A165 HydrophobicContact CG-CB 4.19Å; Y161-A165 WeakPolarHBondContact O-CB 3.42Å; Y161-A165 PolarHBondContact O-N 3.11Å; A162-A165 PolarHBondContact O-N 3.43Å; Q163-A165 PolarHBondContact O-N 2.89Å
166V90.4Very high90.2Very high10 Ų1029.8 Ų29.86%0.06116%0.163CC..Hα-helixtrans-81.5-45.1175.7-177.70000111.3V5 N76 V77 P112 Q163 K164V5-V166 HydrophobicContact CG1-CB 4.23Å; V5-V166 HydrophobicContact CG1-CG1 4.44Å; V5-V166 HydrophobicContact CG1-CG2 4.01Å; V5-V166 HydrophobicContact CG2-CB 4.43Å; V5-V166 HydrophobicContact CG2-CG1 4.23Å; N76-V166 HydrophobicContact CB-CG1 3.96Å; N76-V166 HydrophobicContact CB-CG2 3.99Å; N76-V166 WeakPolarHBondContact O-CG2 3.45Å; V77-V166 HydrophobicContact CB-CG2 3.58Å; V77-V166 HydrophobicContact CG1-CG2 3.79Å; P112-V166 HydrophobicContact CG-CG2 4.13Å; Q163-V166 PolarHBondContact O-N 3.03Å; K164-V166 PolarHBondContact O-N 3.03Å
167L89.9Confident89.7Confident3 Ų332.4 Ų32.42%0.01617%0.167CC..Hα-helixtrans-79.4-19.2-173.5-65.9-179.7000113.4V5 E49 V51 Q163 K164 R272V5-L167 HydrophobicContact CG2-CD2 3.93Å; V5-L167 HydrophobicContact CG2-CG 4.11Å; E49-L167 HydrophobicContact CB-CD1 3.5Å; E49-L167 HydrophobicContact CG-CD1 3.71Å; V51-L167 HydrophobicContact CB-CD1 4.34Å; V51-L167 HydrophobicContact CG2-CD1 4.05Å; V51-L167 HydrophobicContact CG2-CD2 4.33Å; Q163-L167 HydrophobicContact CG-CD1 3.77Å; Q163-L167 HydrophobicContact CG-CG 4.37Å; Q163-L167 WeakPolarHBondContact O-CG 3.49Å; Q163-L167 PolarHBondContact O-N 3.32Å; K164-L167 PolarHBondContact O-N 3.06Å; L167-R272 PolarHBondContact O-NH1 3.3Å; L167-R272 PolarHBondContact O-NH2 3.37Å
168H90.8Very high89.4Confident9 Ų936.6 Ų36.64%0.04218%0.184CC..SBendtrans-143.162.5-176.2-64.1-70.2000110.7E49 K164 T170 H264 W268 R272E49-H168 IonicContact OE2-NE2 3.76Å; K164-H168 HydrophobicContact CG-CB 4.45Å; K164-H168 PolarHBondContact O-N 3.14Å; H168-T170 PolarHBondContact O-N 2.9Å; H168-H264 PolarHBondContact O-CD2 3.03Å; H168-H264 PolarHBondContact O-NE2 3.29Å; H168-W268 VanDerWaalsContact C-NE1 3.31Å; H168-W268 HydrophobicContact CB-CG 4.28Å; H168-W268 VanDerWaalsContact ND1-CB 3.3Å; H168-W268 WeakPolarHBondContact ND1-CB 3.33Å; H168-W268 AromaticContact ND1-CD1 3.9Å; H168-W268 AromaticContact ND1-CG 3.74Å; H168-R272 PolarHBondContact CE1-NH1 2.94Å; H168-R272 PolarHBondContact ND1-NH1 3.26Å
169P89.6Confident89Confident25 Ų2544.2 Ų44.216%0.16222%0.217CC..  trans-62.5134.4-170.526.1-34.3000111.8G171 P172 W268P169-G171 VanDerWaalsContact C-N 3.35Å; P169-P172 HydrophobicContact CB-CG 4.42Å; P169-P172 HydrophobicContact CG-CG 4.14Å; P169-W268 HydrophobicContact CG-CZ2 3.87Å; P169-W268 WeakPolarHBondContact O-CZ2 3.44Å; P169-W268 PolarHBondContact O-NE1 3.42Å
170T88.6Confident88.8Confident24 Ų2448.1 Ų48.115%0.14724%0.239CC..SBendtrans-75.3-31.2177.7-45.70000111.2E142 H168 L173 Y174 I259E142-T170 WeakPolarHBondContact OE2-CB 3.34Å; E142-T170 PolarHBondContact OE2-OG1 3.03Å; H168-T170 PolarHBondContact O-N 2.9Å; T170-L173 PolarHBondContact O-N 3.36Å; T170-Y174 PolarHBondContact O-N 2.73Å; T170-Y174 VanDerWaalsContact O-N 3.13Å; T170-I259 HydrophobicContact CG2-CG2 4.12Å
171G86.4Confident89Confident17 Ų1745.1 Ų45.118%0.17523%0.227CC..THydrogen-bonded Turntrans-50.3-48.8-174.500000115.4P169 L173 K182P169-G171 VanDerWaalsContact C-N 3.35Å; G171-L173 VanDerWaalsContact C-N 3.29Å; G171-L173 PolarHBondContact O-N 3.41Å; G171-K182 WeakPolarHBondContact O-CD 3.46Å; G171-K182 WeakPolarHBondContact O-CE 3.35Å; G171-K182 PolarHBondContact O-NZ 2.93Å
172P90.3Very high89.2Confident37 Ų3744 Ų4424%0.2422%0.224CC..THydrogen-bonded Turntrans-66.1-28.2177.8-24.935.4000114.1P169 W268 D278 L280P169-P172 HydrophobicContact CB-CG 4.42Å; P169-P172 HydrophobicContact CG-CG 4.14Å; P172-W268 HydrophobicContact CB-CH2 4.11Å; P172-W268 HydrophobicContact CB-CZ2 4.04Å; P172-W268 HydrophobicContact CG-CH2 4.34Å; P172-W268 HydrophobicContact CG-CZ2 4.09Å; P172-D278 WeakPolarHBondContact CG-O 3.38Å; P172-L280 HydrophobicContact CB-CD1 4.24Å; P172-L280 HydrophobicContact CB-CG 4.37Å; P172-L280 WeakPolarHBondContact O-CD1 3.41Å
173L93.1Very high89.3Confident0 Ų049 Ų490%026%0.257CS..THydrogen-bonded Turntrans-87.7-39.1-171-56.4-173000113.4T170 G171 M181 K182 C185 I259 H264 T267 W268 L271 L280T170-L173 PolarHBondContact O-N 3.36Å; G171-L173 VanDerWaalsContact C-N 3.29Å; G171-L173 PolarHBondContact O-N 3.41Å; L173-M181 WeakPolarHBondContact O-CA 3.34Å; L173-K182 PolarHBondContact O-N 3.27Å; L173-C185 HydrophobicContact CD2-CB 4.35Å; L173-I259 HydrophobicContact CB-CD1 4Å; L173-I259 HydrophobicContact CD1-CD1 4.34Å; L173-H264 HydrophobicContact CD1-CB 4.28Å; L173-T267 HydrophobicContact CD1-CG2 4.03Å; L173-W268 HydrophobicContact CD1-CD2 4.22Å; L173-W268 HydrophobicContact CD1-CG 4.24Å; L173-W268 HydrophobicContact CD1-CZ2 4.16Å; L173-W268 VanDerWaalsContact CD1-NE1 3.32Å; L173-W268 HydrophobicContact CD2-CD2 4.41Å; L173-W268 HydrophobicContact CD2-CH2 3.94Å; L173-W268 HydrophobicContact CD2-CZ2 3.64Å; L173-W268 HydrophobicContact CD2-CZ3 4.44Å; L173-W268 HydrophobicContact CG-CH2 4.49Å; L173-W268 HydrophobicContact CG-CZ2 3.71Å; L173-L271 HydrophobicContact CD2-CD1 3.51Å; L173-L280 HydrophobicContact CD2-CD1 4.39Å; L173-L280 HydrophobicContact CD2-CD2 3.89Å
174Y90.8Very high89.6Confident20 Ų2053.9 Ų53.98%0.07828%0.283CS..EExtended strand (participates in β ladder)trans-140.1149.4-162.9-166.8-106.6000112.9T170 P176 K179 D180 M181 T256 I259 Q260T170-Y174 PolarHBondContact O-N 2.73Å; T170-Y174 VanDerWaalsContact O-N 3.13Å; Y174-P176 HydrophobicContact CD1-CG 4.37Å; Y174-K179 WeakPolarHBondContact OH-CA 3.37Å; Y174-K179 PolarHBondContact OH-O 3.19Å; Y174-D180 VanDerWaalsContact CD2-C 3.44Å; Y174-D180 VanDerWaalsContact CD2-O 3.25Å; Y174-D180 WeakPolarHBondContact CD2-O 3.38Å; Y174-D180 VanDerWaalsContact CE2-C 3.42Å; Y174-M181 HydrophobicContact CD2-CG 4.1Å; Y174-T256 HydrophobicContact CE2-CG2 4.22Å; Y174-I259 HydrophobicContact CD1-CG2 4.27Å; Y174-I259 HydrophobicContact CD2-CG2 4.18Å; Y174-I259 HydrophobicContact CG-CG2 3.83Å; Y174-Q260 HydrophobicContact CE2-CG 4.44Å; Y174-Q260 PolarHBondContact OH-NE2 3.43Å
175C87.3Confident89.9Confident23 Ų2353.3 Ų53.316%0.15528%0.28CS..EExtended strand (participates in β ladder)trans-112.5100.6174.3-179.30000108.5E177 K178 K179 D180 K182C175-E177 PolarHBondContact O-N 3Å; C175-E177 PolarHBondContact SG-OE2 3.42Å; C175-K178 HydrophobicContact CB-CB 4.27Å; C175-K178 PolarHBondContact O-N 3.12Å; C175-K179 WeakPolarHBondContact O-CA 3.48Å; C175-K179 PolarHBondContact O-N 3.41Å; C175-D180 PolarHBondContact N-O 3.03Å; C175-D180 PolarHBondContact O-N 2.91Å; C175-K182 HydrophobicContact CB-CG 4.44Å
176P80.8Confident90.3Very high80 Ų8055 Ų5552%0.51929%0.29SS..THydrogen-bonded Turntrans-56.2-36.2-178.7-26.535.6000113.6Y174 K179Y174-P176 HydrophobicContact CD1-CG 4.37Å; P176-K179 WeakPolarHBondContact O-CG 3.33Å; P176-K179 PolarHBondContact O-N 2.92Å
177E80.8Confident90.7Very high136 Ų13661.2 Ų61.264%0.63632%0.316SS*.THydrogen-bonded Turntrans-67.8-41.9-176.9-54.375.9-164.700111.6C175 K179C175-E177 PolarHBondContact O-N 3Å; C175-E177 PolarHBondContact SG-OE2 3.42Å; E177-K179 VanDerWaalsContact C-N 3.32Å
178K86Confident91.1Very high172 Ų17261.1 Ų61.175%0.74832%0.316SS*.THydrogen-bonded Turntrans-84.3-10.7177.2-66.5-178.6-178.9179.60112.8C175 D180C175-K178 HydrophobicContact CB-CB 4.27Å; C175-K178 PolarHBondContact O-N 3.12Å; K178-D180 HydrophobicContact CB-CB 4.34Å; K178-D180 PolarHBondContact O-N 3.38Å
179K85.8Confident91.5Very high160 Ų16060.7 Ų60.770%0.69631%0.314SS*.THydrogen-bonded Turntrans51.536.2-170-61.4-176.3177.6-1790113.1Y174 C175 P176 E177Y174-K179 WeakPolarHBondContact OH-CA 3.37Å; Y174-K179 PolarHBondContact OH-O 3.19Å; C175-K179 WeakPolarHBondContact O-CA 3.48Å; C175-K179 PolarHBondContact O-N 3.41Å; P176-K179 WeakPolarHBondContact O-CG 3.33Å; P176-K179 PolarHBondContact O-N 2.92Å; E177-K179 VanDerWaalsContact C-N 3.32Å
180D90.1Very high91.9Very high93 Ų9360.9 Ų60.950%0.49732%0.315SS..EExtended strand (participates in β ladder)trans-137.7156.6-174.8-161.510.7000112.3Y174 C175 K178Y174-D180 VanDerWaalsContact CD2-C 3.44Å; Y174-D180 VanDerWaalsContact CD2-O 3.25Å; Y174-D180 WeakPolarHBondContact CD2-O 3.38Å; Y174-D180 VanDerWaalsContact CE2-C 3.42Å; C175-D180 PolarHBondContact N-O 3.03Å; C175-D180 PolarHBondContact O-N 2.91Å; K178-D180 HydrophobicContact CB-CB 4.34Å; K178-D180 PolarHBondContact O-N 3.38Å
181M94.1Very high92.3Very high12 Ų1260.7 Ų60.76%0.05931%0.311CS..EExtended strand (participates in β ladder)trans-69.7146.9175.5-71.1-168.4-62.300111.1L173 Y174 V186 L189 L252 H255 T256 I259L173-M181 WeakPolarHBondContact O-CA 3.34Å; Y174-M181 HydrophobicContact CD2-CG 4.1Å; M181-V186 HydrophobicContact CB-CG2 3.85Å; M181-V186 HydrophobicContact CE-CG2 4.23Å; M181-L189 HydrophobicContact CE-CD1 4.39Å; M181-L189 HydrophobicContact SD-CD1 4.07Å; M181-L252 HydrophobicContact CE-CB 3.86Å; M181-L252 HydrophobicContact CE-CD2 3.95Å; M181-L252 HydrophobicContact CE-CG 4.47Å; M181-L252 VanDerWaalsContact CE-O 3.29Å; M181-L252 WeakPolarHBondContact CE-O 3.32Å; M181-H255 HydrophobicContact SD-CB 4.2Å; M181-T256 VanDerWaalsContact CE-OG1 3.26Å; M181-T256 WeakPolarHBondContact CE-OG1 3.41Å; M181-I259 HydrophobicContact CG-CD1 4.23Å; M181-I259 HydrophobicContact SD-CD1 4.1Å
182K94.3Very high92.9Very high76 Ų7659.9 Ų59.933%0.3330%0.303SS..  trans-71.3149.4177-73.1-172.3175.5178.80111.1G171 L173 C175 L184 C185 V186G171-K182 WeakPolarHBondContact O-CD 3.46Å; G171-K182 WeakPolarHBondContact O-CE 3.35Å; G171-K182 PolarHBondContact O-NZ 2.93Å; L173-K182 PolarHBondContact O-N 3.27Å; C175-K182 HydrophobicContact CB-CG 4.44Å; K182-L184 VanDerWaalsContact C-N 3.3Å; K182-L184 PolarHBondContact O-N 2.84Å; K182-C185 WeakPolarHBondContact O-CB 3.44Å; K182-C185 PolarHBondContact O-N 3.44Å; K182-V186 PolarHBondContact O-N 3.27Å
183P96.5Very high93.3Very high106 Ų10658.4 Ų58.469%0.68829%0.293SS*.Hα-helixtrans-56.3-37.6-177-28.235.5000114.8V186 K187P183-V186 PolarHBondContact O-N 3.28Å; P183-K187 WeakPolarHBondContact O-CB 3.46Å; P183-K187 PolarHBondContact O-N 2.77Å
184L96.3Very high93.5Very high108 Ų10860.7 Ų60.757%0.56530%0.303SS*.Hα-helixtrans-65.5-40.2177.8-65.8178.1000112K182 K187 A188 L280K182-L184 VanDerWaalsContact C-N 3.3Å; K182-L184 PolarHBondContact O-N 2.84Å; L184-K187 PolarHBondContact O-N 3.27Å; L184-A188 WeakPolarHBondContact O-CB 3.48Å; L184-A188 PolarHBondContact O-N 3.06Å; L184-L280 HydrophobicContact CB-CB 4.38Å; L184-L280 HydrophobicContact CB-CD1 3.9Å
185C97.4Very high93.8Very high0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-64-45.1175.5-178.60000111L173 K182 K187 A188 L189 L280L173-C185 HydrophobicContact CD2-CB 4.35Å; K182-C185 WeakPolarHBondContact O-CB 3.44Å; K182-C185 PolarHBondContact O-N 3.44Å; C185-K187 VanDerWaalsContact C-N 3.34Å; C185-K187 PolarHBondContact O-N 3.23Å; C185-A188 PolarHBondContact O-N 2.98Å; C185-L189 WeakPolarHBondContact O-CB 3.42Å; C185-L189 WeakPolarHBondContact O-CG 3.48Å; C185-L189 PolarHBondContact O-N 3.47Å; C185-L280 HydrophobicContact CB-CD1 3.87Å
186V98.1Very high94.3Very high44 Ų4459 Ų5927%0.26729%0.294SS..Hα-helixtrans-59.4-44.9175.1176.20000111M181 K182 P183 T190 L252M181-V186 HydrophobicContact CB-CG2 3.85Å; M181-V186 HydrophobicContact CE-CG2 4.23Å; K182-V186 PolarHBondContact O-N 3.27Å; P183-V186 PolarHBondContact O-N 3.28Å; V186-T190 VanDerWaalsContact O-CB 3.25Å; V186-T190 WeakPolarHBondContact O-CB 3.46Å; V186-T190 PolarHBondContact O-N 3.02Å; V186-T190 PolarHBondContact O-OG1 3.28Å; V186-L252 HydrophobicContact CG1-CD1 4.02Å; V186-L252 HydrophobicContact CG1-CD2 4.37Å
187K97.7Very high95Very high140 Ų14055.4 Ų55.461%0.60927%0.27SS*.Hα-helixtrans-60.6-46.8177-174.4-177.5178.8-1750111.2P183 L184 C185 T190 R191P183-K187 WeakPolarHBondContact O-CB 3.46Å; P183-K187 PolarHBondContact O-N 2.77Å; L184-K187 PolarHBondContact O-N 3.27Å; C185-K187 VanDerWaalsContact C-N 3.34Å; C185-K187 PolarHBondContact O-N 3.23Å; K187-T190 PolarHBondContact O-N 3.44Å; K187-R191 PolarHBondContact O-N 3.47Å; K187-R191 VanDerWaalsContact O-N 3.07Å
188A98.3Very high95.7Very high2 Ų252.2 Ų52.22%0.01726%0.257CS..Hα-helixtrans-61.8-50.2179.900000111.9L184 C185 T190 R191 I192 L271 Y276L184-A188 WeakPolarHBondContact O-CB 3.48Å; L184-A188 PolarHBondContact O-N 3.06Å; C185-A188 PolarHBondContact O-N 2.98Å; A188-T190 VanDerWaalsContact C-N 3.32Å; A188-T190 PolarHBondContact O-N 2.83Å; A188-R191 PolarHBondContact O-N 3.33Å; A188-I192 WeakPolarHBondContact O-CG1 3.4Å; A188-I192 PolarHBondContact O-N 3.3Å; A188-L271 HydrophobicContact CB-CD2 3.71Å; A188-Y276 WeakPolarHBondContact CA-OH 3.04Å; A188-Y276 HydrophobicContact CB-CD1 4.12Å; A188-Y276 HydrophobicContact CB-CD2 4.41Å; A188-Y276 HydrophobicContact CB-CE1 3.68Å; A188-Y276 HydrophobicContact CB-CE2 4Å; A188-Y276 HydrophobicContact CB-CG 4.45Å; A188-Y276 PolarHBondContact O-OH 3.46Å
189L98.5Very high96.1Very high0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-64.5-33.9177.5-70.2175.6000112.7M181 C185 I192 F193 F251 L252 H255 T267 V270 L271M181-L189 HydrophobicContact CE-CD1 4.39Å; M181-L189 HydrophobicContact SD-CD1 4.07Å; C185-L189 WeakPolarHBondContact O-CB 3.42Å; C185-L189 WeakPolarHBondContact O-CG 3.48Å; C185-L189 PolarHBondContact O-N 3.47Å; L189-I192 HydrophobicContact CD2-CD1 4.43Å; L189-I192 PolarHBondContact O-N 3.39Å; L189-F193 WeakPolarHBondContact O-CB 3.37Å; L189-F193 PolarHBondContact O-N 3.31Å; L189-F251 HydrophobicContact CB-CE1 4.15Å; L189-F251 HydrophobicContact CD2-CE1 4.14Å; L189-L252 HydrophobicContact CB-CD2 3.68Å; L189-L252 HydrophobicContact CD1-CD2 4.13Å; L189-H255 HydrophobicContact CD1-CB 3.71Å; L189-T267 HydrophobicContact CD1-CG2 4.4Å; L189-T267 HydrophobicContact CD2-CG2 4.4Å; L189-V270 HydrophobicContact CD2-CG1 4.49Å; L189-L271 HydrophobicContact CD2-CD2 4.28Å
190T98.4Very high96.5Very high29 Ų2941.7 Ų41.718%0.17822%0.216CC..Hα-helixtrans-64.2-43.4174.8-61.70000111.4V186 K187 A188 F193 K194 L248V186-T190 VanDerWaalsContact O-CB 3.25Å; V186-T190 WeakPolarHBondContact O-CB 3.46Å; V186-T190 PolarHBondContact O-N 3.02Å; V186-T190 PolarHBondContact O-OG1 3.28Å; K187-T190 PolarHBondContact O-N 3.44Å; A188-T190 VanDerWaalsContact C-N 3.32Å; A188-T190 PolarHBondContact O-N 2.83Å; T190-F193 WeakPolarHBondContact O-CB 3.47Å; T190-F193 PolarHBondContact O-N 3.48Å; T190-K194 WeakPolarHBondContact O-CG 3.41Å; T190-K194 PolarHBondContact O-N 3.08Å; T190-L248 HydrophobicContact CG2-CD1 4.17Å; T190-L248 HydrophobicContact CG2-CD2 3.84Å
191R98.2Very high96.7Very high19 Ų1941.4 Ų41.47%0.07222%0.215CC..Hα-helixtrans-61.2-44.8172.6173.1173169.4-81.2-10.5111.3K187 A188 F193 K194 V195 Y276 V335 G382 Y383K187-R191 PolarHBondContact O-N 3.47Å; K187-R191 VanDerWaalsContact O-N 3.07Å; A188-R191 PolarHBondContact O-N 3.33Å; R191-F193 VanDerWaalsContact C-N 3.3Å; R191-F193 PolarHBondContact O-N 3.29Å; R191-K194 PolarHBondContact O-N 3.33Å; R191-V195 HydrophobicContact CG-CG2 4.28Å; R191-V195 WeakPolarHBondContact O-CG2 3.38Å; R191-V195 PolarHBondContact O-N 3.41Å; R191-Y276 WeakPolarHBondContact CD-OH 3.36Å; R191-Y276 PolarHBondContact NH1-OH 3.08Å; R191-V335 VanDerWaalsContact CD-O 3.31Å; R191-V335 WeakPolarHBondContact CD-O 3.45Å; R191-V335 HydrophobicContact CG-CB 4.1Å; R191-V335 HydrophobicContact CG-CG1 4.31Å; R191-V335 PolarHBondContact NE-O 2.71Å; R191-G382 PolarHBondContact NH2-O 2.61Å; R191-Y383 PolarHBondContact NE-O 2.84Å; R191-Y383 PolarHBondContact NH2-O 3.44Å
192I98.4Very high96.8Very high0 Ų042.6 Ų42.60%023%0.23CC..Hα-helixtrans-58.8-44.2178.6-69.2177.4000111A188 L189 V195 S196 F212 F251 V270 L271 F274 Y276A188-I192 WeakPolarHBondContact O-CG1 3.4Å; A188-I192 PolarHBondContact O-N 3.3Å; L189-I192 HydrophobicContact CD2-CD1 4.43Å; L189-I192 PolarHBondContact O-N 3.39Å; I192-V195 PolarHBondContact O-N 2.95Å; I192-S196 WeakPolarHBondContact O-CB 3.46Å; I192-S196 PolarHBondContact O-N 3.22Å; I192-S196 PolarHBondContact O-OG 2.96Å; I192-F212 HydrophobicContact CG2-CE2 3.76Å; I192-F251 HydrophobicContact CG2-CZ 4.26Å; I192-V270 HydrophobicContact CD1-CG1 3.87Å; I192-V270 HydrophobicContact CG2-CG1 3.95Å; I192-L271 HydrophobicContact CD1-CD2 4.05Å; I192-F274 HydrophobicContact CB-CD1 4.23Å; I192-F274 HydrophobicContact CB-CE1 4.41Å; I192-F274 HydrophobicContact CB-CG 4.39Å; I192-F274 HydrophobicContact CD1-CB 3.69Å; I192-F274 HydrophobicContact CD1-CD1 4.48Å; I192-F274 HydrophobicContact CD1-CD2 4.13Å; I192-F274 HydrophobicContact CD1-CG 3.86Å; I192-F274 HydrophobicContact CG1-CB 3.74Å; I192-F274 HydrophobicContact CG1-CD1 3.75Å; I192-F274 HydrophobicContact CG1-CD2 4.2Å; I192-F274 HydrophobicContact CG1-CE1 4.41Å; I192-F274 HydrophobicContact CG1-CG 3.63Å; I192-F274 HydrophobicContact CG2-CD1 4.06Å; I192-F274 HydrophobicContact CG2-CD2 3.95Å; I192-F274 HydrophobicContact CG2-CE1 3.9Å; I192-F274 HydrophobicContact CG2-CE2 3.78Å; I192-F274 HydrophobicContact CG2-CG 4.09Å; I192-F274 HydrophobicContact CG2-CZ 3.76Å; I192-Y276 HydrophobicContact CD1-CD2 4.12Å; I192-Y276 HydrophobicContact CD1-CE2 3.88Å; I192-Y276 HydrophobicContact CG1-CE2 3.93Å
193F98.4Very high96.9Very high7 Ų739.6 Ų39.63%0.03122%0.218CC..Hα-helixtrans-56.6-51.8174.3-179.2-85000111.1L189 T190 R191 V195 S196 D197 G202 L204 L246 T247 L248 F251L189-F193 WeakPolarHBondContact O-CB 3.37Å; L189-F193 PolarHBondContact O-N 3.31Å; T190-F193 WeakPolarHBondContact O-CB 3.47Å; T190-F193 PolarHBondContact O-N 3.48Å; R191-F193 VanDerWaalsContact C-N 3.3Å; R191-F193 PolarHBondContact O-N 3.29Å; F193-V195 VanDerWaalsContact C-N 3.3Å; F193-V195 PolarHBondContact O-N 2.9Å; F193-S196 CarbonylContact O-C 3.43Å; F193-S196 PolarHBondContact O-N 2.83Å; F193-D197 HydrophobicContact CE1-CB 4.48Å; F193-D197 WeakPolarHBondContact O-CB 3.38Å; F193-D197 PolarHBondContact O-N 2.93Å; F193-G202 WeakPolarHBondContact CZ-O 3.45Å; F193-L204 HydrophobicContact CD2-CD1 3.64Å; F193-L204 HydrophobicContact CD2-CD2 4.49Å; F193-L204 HydrophobicContact CD2-CG 3.88Å; F193-L204 HydrophobicContact CE2-CD1 3.72Å; F193-L204 HydrophobicContact CE2-CD2 4.3Å; F193-L204 HydrophobicContact CE2-CG 3.49Å; F193-L204 VanDerWaalsContact CE2-CG 3.49Å; F193-L204 HydrophobicContact CZ-CG 4.02Å; F193-L246 WeakPolarHBondContact CE2-O 3.29Å; F193-T247 VanDerWaalsContact CE2-C 3.47Å; F193-L248 HydrophobicContact CB-CD1 3.74Å; F193-L248 HydrophobicContact CD1-CB 4.01Å; F193-L248 HydrophobicContact CD1-CD1 4.04Å; F193-L248 HydrophobicContact CD2-CB 4.36Å; F193-L248 HydrophobicContact CD2-CD1 4.21Å; F193-L248 HydrophobicContact CE1-CB 3.94Å; F193-L248 HydrophobicContact CE2-CB 4.26Å; F193-L248 VanDerWaalsContact CE2-N 3.32Å; F193-L248 HydrophobicContact CG-CB 4.24Å; F193-L248 HydrophobicContact CG-CD1 3.72Å; F193-L248 HydrophobicContact CZ-CB 4.07Å; F193-L248 VanDerWaalsContact CZ-N 3.26Å; F193-F251 HydrophobicContact CB-CD1 4.11Å; F193-F251 HydrophobicContact CB-CE1 4.33Å; F193-F251 HydrophobicContact CD2-CB 3.68Å; F193-F251 HydrophobicContact CD2-CD1 4.07Å; F193-F251 HydrophobicContact CD2-CD2 4.34Å; F193-F251 AromaticContact CD2-CG 3.79Å; F193-F251 HydrophobicContact CD2-CG 3.79Å; F193-F251 HydrophobicContact CE2-CB 4.07Å
194K97.3Very high97Very high48 Ų4834.5 Ų34.521%0.20919%0.185CC..Hα-helixtrans-62.5-32-180-73.4-168.3168.3-150.80114.4T190 R191 K315 D334 V335T190-K194 WeakPolarHBondContact O-CG 3.41Å; T190-K194 PolarHBondContact O-N 3.08Å; R191-K194 PolarHBondContact O-N 3.33Å; K194-K315 PolarHBondContact O-NZ 3.35Å; K194-D334 VanDerWaalsContact CE-OD2 3.22Å; K194-D334 WeakPolarHBondContact CE-OD2 3.37Å; K194-D334 VanDerWaalsContact NZ-CG 3.34Å; K194-D334 IonicContact NZ-OD2 3.81Å; K194-D334 PolarHBondContact NZ-OD2 2.59Å; K194-V335 HydrophobicContact CB-CG1 3.71Å; K194-V335 HydrophobicContact CD-CG1 4.27Å
195V97.2Very high96.9Very high5 Ų531.3 Ų31.33%0.0317%0.168CC..Hα-helixtrans-74.2-32.6174172.50000111R191 I192 F193 F274 V335 I389R191-V195 HydrophobicContact CG-CG2 4.28Å; R191-V195 WeakPolarHBondContact O-CG2 3.38Å; R191-V195 PolarHBondContact O-N 3.41Å; I192-V195 PolarHBondContact O-N 2.95Å; F193-V195 VanDerWaalsContact C-N 3.3Å; F193-V195 PolarHBondContact O-N 2.9Å; V195-F274 HydrophobicContact CB-CE1 4.14Å; V195-F274 HydrophobicContact CG1-CD1 4.4Å; V195-F274 HydrophobicContact CG1-CE1 3.8Å; V195-V335 HydrophobicContact CG2-CG1 4.25Å; V195-I389 HydrophobicContact CG1-CD1 3.93Å; V195-I389 HydrophobicContact CG1-CG1 4.31Å
196S97Very high96.8Very high3 Ų334.3 Ų34.32%0.02118%0.184CC..Hα-helixtrans-83.4-24.7-178.1-53.30000113.5I192 F193 L198 L204 F212I192-S196 WeakPolarHBondContact O-CB 3.46Å; I192-S196 PolarHBondContact O-N 3.22Å; I192-S196 PolarHBondContact O-OG 2.96Å; F193-S196 CarbonylContact O-C 3.43Å; F193-S196 PolarHBondContact O-N 2.83Å; S196-L198 PolarHBondContact O-N 2.82Å; S196-L204 VanDerWaalsContact C-CD2 3.5Å; S196-F212 WeakPolarHBondContact OG-CD2 3.44Å
197D96.9Very high96.7Very high3 Ų338.6 Ų38.62%0.01620%0.204CC..  trans-71.4101.3169.3177.5-7.8000107.4F193 N200 D201 G202 L204 K315F193-D197 HydrophobicContact CE1-CB 4.48Å; F193-D197 WeakPolarHBondContact O-CB 3.38Å; F193-D197 PolarHBondContact O-N 2.93Å; D197-N200 WeakPolarHBondContact OD1-CA 3.39Å; D197-N200 PolarHBondContact OD1-N 3.4Å; D197-D201 PolarHBondContact OD1-N 2.9Å; D197-G202 WeakPolarHBondContact OD2-CA 3.47Å; D197-G202 PolarHBondContact OD2-N 2.93Å; D197-L204 HydrophobicContact CB-CD2 3.83Å; D197-L204 VanDerWaalsContact N-CD2 3.32Å; D197-K315 WeakPolarHBondContact O-CE 3.43Å; D197-K315 PolarHBondContact O-NZ 2.96Å
198L94.7Very high96.6Very high69 Ų6932.2 Ų32.236%0.36118%0.177SC..SBendtrans-86.1-25-169.5-64.1-178.5000112S196 E208 F211 I389S196-L198 PolarHBondContact O-N 2.82Å; L198-E208 HydrophobicContact CB-CG 4.28Å; L198-E208 HydrophobicContact CD1-CG 4.38Å; L198-E208 HydrophobicContact CG-CG 4.21Å; L198-E208 PolarHBondContact N-OE1 3.31Å; L198-F211 HydrophobicContact CD1-CD1 4.43Å; L198-I389 HydrophobicContact CD2-CD1 4.35Å; L198-I389 HydrophobicContact CD2-CG1 4.34Å; L198-I389 HydrophobicContact CD2-CG2 4.41Å
199D94.3Very high96.4Very high83 Ų8332.5 Ų32.544%0.44418%0.178SC..SBendtrans-105.2-3.4179.56617.3000114.5D201 E208D199-D201 VanDerWaalsContact C-N 3.28Å; D199-D201 PolarHBondContact O-N 3.44Å; D199-D201 WeakPolarHBondContact OD1-CB 3.31Å; D199-D201 PolarHBondContact OD1-N 3.25Å; D199-E208 PolarHBondContact N-OE1 2.76Å
200N94.6Very high96.2Very high28 Ų2834.9 Ų34.915%0.1519%0.19CC..  trans60.731.2177.7-155.631.8000114.2D197 K315 H316 K318 D331D197-N200 WeakPolarHBondContact OD1-CA 3.39Å; D197-N200 PolarHBondContact OD1-N 3.4Å; N200-K315 HydrophobicContact CB-CD 4.11Å; N200-K315 VanDerWaalsContact CB-CE 3.46Å; N200-K315 HydrophobicContact CB-CG 3.44Å; N200-K315 VanDerWaalsContact CB-CG 3.44Å; N200-K315 WeakPolarHBondContact CB-O 3.36Å; N200-K315 PolarHBondContact ND2-O 3.37Å; N200-H316 PolarHBondContact ND2-CE1 3.2Å; N200-H316 PolarHBondContact ND2-ND1 3.4Å; N200-K318 WeakPolarHBondContact ND2-CE 3.13Å; N200-D331 PolarHBondContact ND2-OD2 2.91Å
201D94.9Very high96Very high87 Ų8735 Ų3547%0.46519%0.189SC..SBendtrans-81.5-6175.578.6-4.8000112.8D197 D199 I203D197-D201 PolarHBondContact OD1-N 2.9Å; D199-D201 VanDerWaalsContact C-N 3.28Å; D199-D201 PolarHBondContact O-N 3.44Å; D199-D201 WeakPolarHBondContact OD1-CB 3.31Å; D199-D201 PolarHBondContact OD1-N 3.25Å; D201-I203 WeakPolarHBondContact OD1-CG1 3.37Å; D201-I203 PolarHBondContact OD1-N 2.95Å; D201-I203 VanDerWaalsContact OD1-O 3.08Å; D201-I203 WeakPolarHBondContact OD2-CG1 3.3Å
202G95.7Very high95.9Very high37 Ų3734.4 Ų34.438%0.38119%0.187SC..SBendtrans86.47.7177.700000114.3F193 D197F193-G202 WeakPolarHBondContact CZ-O 3.45Å; D197-G202 WeakPolarHBondContact OD2-CA 3.47Å; D197-G202 PolarHBondContact OD2-N 2.93Å
203I97.1Very high95.6Very high13 Ų1336.3 Ų36.37%0.06720%0.195CC..EExtended strand (participates in β ladder)trans-128.6157.1173.558.2172.1000110.7D201 Q242 H243 L246 T247D201-I203 WeakPolarHBondContact OD1-CG1 3.37Å; D201-I203 PolarHBondContact OD1-N 2.95Å; D201-I203 VanDerWaalsContact OD1-O 3.08Å; D201-I203 WeakPolarHBondContact OD2-CG1 3.3Å; I203-Q242 WeakPolarHBondContact CD1-O 3.18Å; I203-Q242 HydrophobicContact CG2-CB 4.19Å; I203-H243 HydrophobicContact CD1-CB 3.96Å; I203-L246 CarbonylContact C-O 3.57Å; I203-L246 WeakPolarHBondContact CA-O 3.44Å; I203-T247 HydrophobicContact CG2-CG2 3.96Å
204L97.4Very high95.4Very high0 Ų041.1 Ų41.10%021%0.214CC..EExtended strand (participates in β ladder)trans-100.3106167.6-58.7176.8000108.4F193 S196 D197 E208 L209 G245 L246 F251F193-L204 HydrophobicContact CD2-CD1 3.64Å; F193-L204 HydrophobicContact CD2-CD2 4.49Å; F193-L204 HydrophobicContact CD2-CG 3.88Å; F193-L204 HydrophobicContact CE2-CD1 3.72Å; F193-L204 HydrophobicContact CE2-CD2 4.3Å; F193-L204 HydrophobicContact CE2-CG 3.49Å; F193-L204 VanDerWaalsContact CE2-CG 3.49Å; F193-L204 HydrophobicContact CZ-CG 4.02Å; S196-L204 VanDerWaalsContact C-CD2 3.5Å; D197-L204 HydrophobicContact CB-CD2 3.83Å; D197-L204 VanDerWaalsContact N-CD2 3.32Å; L204-E208 WeakPolarHBondContact CA-OE2 3.29Å; L204-E208 HydrophobicContact CB-CB 4.49Å; L204-E208 HydrophobicContact CD2-CB 4.31Å; L204-L209 HydrophobicContact CB-CD1 4.5Å; L204-L209 HydrophobicContact CB-CD2 3.7Å; L204-L209 HydrophobicContact CB-CG 3.76Å; L204-L209 HydrophobicContact CD1-CD2 3.96Å; L204-L209 HydrophobicContact CG-CD2 4.5Å; L204-L209 WeakPolarHBondContact O-CD1 3.41Å; L204-G245 CarbonylContact O-C 3.5Å; L204-G245 WeakPolarHBondContact O-CA 3.43Å; L204-L246 HydrophobicContact CB-CB 4.37Å; L204-L246 PolarHBondContact N-O 3.45Å; L204-L246 PolarHBondContact O-N 3.15Å; L204-F251 HydrophobicContact CD1-CD2 4.09Å; L204-F251 HydrophobicContact CD1-CE2 4.4Å
205N95.4Very high95.2Very high41 Ų4139.2 Ų39.222%0.21921%0.206CC..  trans-74.6178.6175.769.247.7000111.5I207 E208 L209N205-I207 VanDerWaalsContact C-N 3.26Å; N205-I207 PolarHBondContact O-N 3Å; N205-I207 WeakPolarHBondContact OD1-CA 3.34Å; N205-I207 WeakPolarHBondContact OD1-CB 3.23Å; N205-I207 PolarHBondContact OD1-N 3.12Å; N205-E208 PolarHBondContact N-OE2 2.72Å; N205-E208 PolarHBondContact ND2-OE2 3.06Å; N205-E208 VanDerWaalsContact ND2-OE2 3.13Å; N205-E208 PolarHBondContact O-N 2.97Å; N205-E208 PolarHBondContact OD1-N 3.15Å; N205-E208 VanDerWaalsContact OD1-N 3.07Å; N205-L209 WeakPolarHBondContact O-CB 3.43Å; N205-L209 VanDerWaalsContact O-CG 3.32Å; N205-L209 WeakPolarHBondContact O-CG 3.49Å; N205-L209 PolarHBondContact O-N 2.94Å
206D94.9Very high95Very high63 Ų6339.4 Ų39.434%0.33721%0.207SC..Hα-helixtrans-63.1-31.5-176.6-72.9-21000113.7N210 L226 K230D206-N210 VanDerWaalsContact O-CB 3.27Å; D206-N210 WeakPolarHBondContact O-CB 3.5Å; D206-N210 VanDerWaalsContact O-CG 3.26Å; D206-N210 PolarHBondContact O-N 3.41Å; D206-N210 PolarHBondContact O-ND2 3.36Å; D206-L226 HydrophobicContact CB-CD2 4.22Å; D206-L226 WeakPolarHBondContact OD1-CD2 3.42Å; D206-K230 WeakPolarHBondContact OD1-CE 3.35Å; D206-K230 IonicContact OD1-NZ 2.69Å; D206-K230 PolarHBondContact OD1-NZ 3.34Å; D206-K230 IonicContact OD2-NZ 3.01Å
207I94.5Very high94.8Very high134 Ų13442.3 Ų42.369%0.68722%0.22SC*.Hα-helixtrans-70.5-47.3179.6-61.3172.5000108.8N205 N210 F211N205-I207 VanDerWaalsContact C-N 3.26Å; N205-I207 PolarHBondContact O-N 3Å; N205-I207 WeakPolarHBondContact OD1-CA 3.34Å; N205-I207 WeakPolarHBondContact OD1-CB 3.23Å; N205-I207 PolarHBondContact OD1-N 3.12Å; I207-N210 PolarHBondContact O-N 3.01Å; I207-F211 WeakPolarHBondContact O-CB 3.36Å; I207-F211 PolarHBondContact O-N 3.35Å
208E95.9Very high94.4Very high5 Ų549.3 Ų49.32%0.02326%0.257CS..Hα-helixtrans-68.4-41.1-179.8-65.8165.314700112L198 D199 L204 N205 N210 F211 F212L198-E208 HydrophobicContact CB-CG 4.28Å; L198-E208 HydrophobicContact CD1-CG 4.38Å; L198-E208 HydrophobicContact CG-CG 4.21Å; L198-E208 PolarHBondContact N-OE1 3.31Å; D199-E208 PolarHBondContact N-OE1 2.76Å; L204-E208 WeakPolarHBondContact CA-OE2 3.29Å; L204-E208 HydrophobicContact CB-CB 4.49Å; L204-E208 HydrophobicContact CD2-CB 4.31Å; N205-E208 PolarHBondContact N-OE2 2.72Å; N205-E208 PolarHBondContact ND2-OE2 3.06Å; N205-E208 VanDerWaalsContact ND2-OE2 3.13Å; N205-E208 PolarHBondContact O-N 2.97Å; N205-E208 PolarHBondContact OD1-N 3.15Å; N205-E208 VanDerWaalsContact OD1-N 3.07Å; E208-N210 VanDerWaalsContact C-N 3.34Å; E208-N210 PolarHBondContact O-N 3.16Å; E208-F211 PolarHBondContact O-N 2.89Å; E208-F212 VanDerWaalsContact O-CB 3.26Å; E208-F212 WeakPolarHBondContact O-CB 3.48Å; E208-F212 PolarHBondContact O-N 3.31Å
209L94.8Very high94.1Very high9 Ų949.3 Ų49.35%0.04726%0.263CS..Hα-helixtrans-62.5-42.5174.4-74.2172.6000111.2L204 N205 F212 Q213 L226 L246L204-L209 HydrophobicContact CB-CD1 4.5Å; L204-L209 HydrophobicContact CB-CD2 3.7Å; L204-L209 HydrophobicContact CB-CG 3.76Å; L204-L209 HydrophobicContact CD1-CD2 3.96Å; L204-L209 HydrophobicContact CG-CD2 4.5Å; L204-L209 WeakPolarHBondContact O-CD1 3.41Å; N205-L209 WeakPolarHBondContact O-CB 3.43Å; N205-L209 VanDerWaalsContact O-CG 3.32Å; N205-L209 WeakPolarHBondContact O-CG 3.49Å; N205-L209 PolarHBondContact O-N 2.94Å; L209-F212 PolarHBondContact O-N 2.69Å; L209-Q213 WeakPolarHBondContact O-CB 3.27Å; L209-Q213 WeakPolarHBondContact O-CG 3.27Å; L209-Q213 PolarHBondContact O-N 3.32Å; L209-L226 HydrophobicContact CB-CD1 4.15Å; L209-L226 HydrophobicContact CB-CD2 4.43Å; L209-L226 HydrophobicContact CD1-CD1 3.92Å; L209-L226 HydrophobicContact CD1-CD2 4.47Å; L209-L226 HydrophobicContact CD1-CG 4.49Å; L209-L246 HydrophobicContact CD1-CB 4.15Å; L209-L246 HydrophobicContact CD2-CB 4.4Å; L209-L246 HydrophobicContact CD2-CD2 4.03Å
210N94.1Very high93.8Very high49 Ų4948.9 Ų48.926%0.26226%0.264SS..Hα-helixtrans-67.2-38.8176.3-79.3-46.3000112.3D206 I207 E208 Q213 R214 P220 L221D206-N210 VanDerWaalsContact O-CB 3.27Å; D206-N210 WeakPolarHBondContact O-CB 3.5Å; D206-N210 VanDerWaalsContact O-CG 3.26Å; D206-N210 PolarHBondContact O-N 3.41Å; D206-N210 PolarHBondContact O-ND2 3.36Å; I207-N210 PolarHBondContact O-N 3.01Å; E208-N210 VanDerWaalsContact C-N 3.34Å; E208-N210 PolarHBondContact O-N 3.16Å; N210-Q213 PolarHBondContact O-N 3.31Å; N210-R214 WeakPolarHBondContact O-CB 3.34Å; N210-R214 PolarHBondContact O-N 3.15Å; N210-P220 HydrophobicContact CB-CB 4.46Å; N210-L221 PolarHBondContact OD1-O 3.08Å
211F94.1Very high93.3Very high33 Ų3350.1 Ų50.115%0.14527%0.271CS..Hα-helixtrans-59.6-51.3172.6177.1-99.9000110.9L198 I207 E208 Q213 R214 V215 E391L198-F211 HydrophobicContact CD1-CD1 4.43Å; I207-F211 WeakPolarHBondContact O-CB 3.36Å; I207-F211 PolarHBondContact O-N 3.35Å; E208-F211 PolarHBondContact O-N 2.89Å; F211-Q213 VanDerWaalsContact C-N 3.35Å; F211-Q213 PolarHBondContact O-N 3.15Å; F211-R214 PolarHBondContact O-N 2.7Å; F211-V215 HydrophobicContact CD1-CG2 4.31Å; F211-V215 HydrophobicContact CD2-CG2 4.29Å; F211-V215 HydrophobicContact CE1-CG2 3.9Å; F211-V215 HydrophobicContact CE2-CG2 3.88Å; F211-V215 HydrophobicContact CG-CG2 4.48Å; F211-V215 HydrophobicContact CZ-CG2 3.66Å; F211-V215 WeakPolarHBondContact O-CB 3.06Å; F211-V215 VanDerWaalsContact O-CG2 3.28Å; F211-V215 WeakPolarHBondContact O-CG2 3.34Å; F211-V215 PolarHBondContact O-N 3.3Å; F211-E391 HydrophobicContact CE2-CG 4.38Å
212F95.3Very high93Very high6 Ų653.1 Ų53.13%0.02628%0.282CS..Hα-helixtrans-55.7-46.5176.5172.8-94.4000112.2I192 S196 E208 L209 V215 C216 F217 F251 V270 F274I192-F212 HydrophobicContact CG2-CE2 3.76Å; S196-F212 WeakPolarHBondContact OG-CD2 3.44Å; E208-F212 VanDerWaalsContact O-CB 3.26Å; E208-F212 WeakPolarHBondContact O-CB 3.48Å; E208-F212 PolarHBondContact O-N 3.31Å; L209-F212 PolarHBondContact O-N 2.69Å; F212-V215 PolarHBondContact O-N 2.82Å; F212-C216 WeakPolarHBondContact O-CB 3.42Å; F212-C216 PolarHBondContact O-N 3.48Å; F212-C216 PolarHBondContact O-SG 3.07Å; F212-F217 HydrophobicContact CE1-CE2 4.46Å; F212-F251 HydrophobicContact CE1-CE2 4.16Å; F212-F251 HydrophobicContact CE2-CE2 4.31Å; F212-F251 HydrophobicContact CE2-CZ 4.21Å; F212-F251 AromaticContact CZ-CE2 3.83Å; F212-F251 HydrophobicContact CZ-CE2 3.83Å; F212-F251 AromaticContact CZ-CZ 3.9Å; F212-F251 HydrophobicContact CZ-CZ 3.9Å; F212-V270 HydrophobicContact CE1-CG2 4.2Å; F212-V270 HydrophobicContact CE2-CG1 3.87Å; F212-V270 HydrophobicContact CE2-CG2 4.49Å; F212-V270 HydrophobicContact CZ-CB 4.29Å; F212-V270 HydrophobicContact CZ-CG1 3.62Å; F212-V270 HydrophobicContact CZ-CG2 3.62Å; F212-F274 HydrophobicContact CD2-CE2 4.17Å; F212-F274 HydrophobicContact CD2-CZ 4.18Å; F212-F274 AromaticContact CE2-CE2 3.92Å; F212-F274 HydrophobicContact CE2-CE2 3.92Å; F212-F274 HydrophobicContact CE2-CZ 4.24Å
213Q94Very high92.8Very high39 Ų3956.8 Ų56.818%0.18230%0.299CS..Hα-helixtrans-64.3-45178.8-71.3-71.5-3700111.8L209 N210 F211 V215 C216 F217 S219 L221L209-Q213 WeakPolarHBondContact O-CB 3.27Å; L209-Q213 WeakPolarHBondContact O-CG 3.27Å; L209-Q213 PolarHBondContact O-N 3.32Å; N210-Q213 PolarHBondContact O-N 3.31Å; F211-Q213 VanDerWaalsContact C-N 3.35Å; F211-Q213 PolarHBondContact O-N 3.15Å; Q213-V215 VanDerWaalsContact C-N 3.33Å; Q213-V215 PolarHBondContact O-N 3.06Å; Q213-C216 PolarHBondContact O-N 3.31Å; Q213-F217 WeakPolarHBondContact O-CA 3.34Å; Q213-F217 WeakPolarHBondContact O-CB 3.4Å; Q213-F217 PolarHBondContact O-N 3.28Å; Q213-S219 CarbonylContact C-O 3.45Å; Q213-L221 HydrophobicContact CG-CD1 3.89Å; Q213-L221 HydrophobicContact CG-CG 4.01Å
214R93.4Very high92.5Very high109 Ų10961.9 Ų61.941%0.41132%0.323SS..Hα-helixtrans-59.6-45.6175.8-174.9-178.376.2-156.23.6111.2N210 F211 N218 E391N210-R214 WeakPolarHBondContact O-CB 3.34Å; N210-R214 PolarHBondContact O-N 3.15Å; F211-R214 PolarHBondContact O-N 2.7Å; R214-N218 WeakPolarHBondContact O-CA 3.35Å; R214-N218 PolarHBondContact O-N 2.91Å; R214-E391 IonicContact CZ-OE1 2.69Å; R214-E391 IonicContact CZ-OE2 2.62Å; R214-E391 IonicContact NE-OE2 2.98Å; R214-E391 PolarHBondContact NE-OE2 3.03Å; R214-E391 IonicContact NH2-OE1 2.98Å; R214-E391 PolarHBondContact NH2-OE1 3.13Å; R214-E391 IonicContact NH2-OE2 3.51Å; R214-E391 PolarHBondContact NH2-OE2 3.21Å
215V92.6Very high92.2Very high7 Ų763.5 Ų63.54%0.04234%0.336CS..Hα-helixtrans-66.3-39.1-178.2167.80000112F211 F212 Q213 R273 I388F211-V215 HydrophobicContact CD1-CG2 4.31Å; F211-V215 HydrophobicContact CD2-CG2 4.29Å; F211-V215 HydrophobicContact CE1-CG2 3.9Å; F211-V215 HydrophobicContact CE2-CG2 3.88Å; F211-V215 HydrophobicContact CG-CG2 4.48Å; F211-V215 HydrophobicContact CZ-CG2 3.66Å; F211-V215 WeakPolarHBondContact O-CB 3.06Å; F211-V215 VanDerWaalsContact O-CG2 3.28Å; F211-V215 WeakPolarHBondContact O-CG2 3.34Å; F211-V215 PolarHBondContact O-N 3.3Å; F212-V215 PolarHBondContact O-N 2.82Å; Q213-V215 VanDerWaalsContact C-N 3.33Å; Q213-V215 PolarHBondContact O-N 3.06Å; V215-R273 HydrophobicContact CG1-CG 4Å; V215-R273 WeakPolarHBondContact O-CD 3.44Å; V215-R273 PolarHBondContact O-NE 3.36Å; V215-I388 HydrophobicContact CG1-CG2 3.54Å
216C93.7Very high92Very high9 Ų962 Ų626%0.06133%0.328CS..Hα-helixtrans-86.5-37-176.8-62.10000114F212 Q213 T269 V270F212-C216 WeakPolarHBondContact O-CB 3.42Å; F212-C216 PolarHBondContact O-N 3.48Å; F212-C216 PolarHBondContact O-SG 3.07Å; Q213-C216 PolarHBondContact O-N 3.31Å; C216-T269 WeakPolarHBondContact O-CG2 3.41Å; C216-V270 HydrophobicContact CB-CG2 4.22Å
217F92.1Very high92Very high65 Ų6561.5 Ų61.529%0.28532%0.324SS..Hα-helixtrans-123.14.7-167.7-53.5-72000113.6F212 Q213 S219 T266 T269 V270F212-F217 HydrophobicContact CE1-CE2 4.46Å; Q213-F217 WeakPolarHBondContact O-CA 3.34Å; Q213-F217 WeakPolarHBondContact O-CB 3.4Å; Q213-F217 PolarHBondContact O-N 3.28Å; F217-S219 PolarHBondContact O-N 3.11Å; F217-S219 VanDerWaalsContact O-N 3.07Å; F217-T266 HydrophobicContact CE1-CG2 3.91Å; F217-T266 HydrophobicContact CZ-CG2 3.66Å; F217-T269 HydrophobicContact CD1-CG2 3.91Å; F217-T269 HydrophobicContact CE1-CG2 3.72Å; F217-V270 HydrophobicContact CE2-CG2 4.09Å; F217-V270 HydrophobicContact CZ-CG2 3.62Å
218N89.6Confident91.9Very high149 Ų14958.9 Ų58.980%0.79731%0.311SS*.SBendtrans59.513.7-178.4-56.1-58.7000114.9R214R214-N218 WeakPolarHBondContact O-CA 3.35Å; R214-N218 PolarHBondContact O-N 2.91Å
219S88.9Confident91.8Very high69 Ų6961 Ų6148%0.48332%0.324SS..SBendtrans-148.1135.1176.6-175.70000110.1Q213 F217Q213-S219 CarbonylContact C-O 3.45Å; F217-S219 PolarHBondContact O-N 3.11Å; F217-S219 VanDerWaalsContact O-N 3.07Å
220P86.9Confident91.8Very high74 Ų7460.7 Ų60.748%0.48132%0.323SS..PPolyproline II helixtrans-70.1165.6166.732.4-34.5000110.6N210N210-P220 HydrophobicContact CB-CB 4.46Å
221L83.8Confident91.8Very high55 Ų5561.1 Ų61.129%0.28833%0.325SS..PPolyproline II helixtrans-87.6145.7170.7-73.8170.7000110N210 Q213 L226N210-L221 PolarHBondContact OD1-O 3.08Å; Q213-L221 HydrophobicContact CG-CD1 3.89Å; Q213-L221 HydrophobicContact CG-CG 4.01Å; L221-L226 HydrophobicContact CB-CB 4.44Å; L221-L226 HydrophobicContact CD1-CD1 3.95Å
222E89.4Confident91.8Very high149 Ų14962 Ų6270%0.69633%0.333SS*.PPolyproline II helixtrans-62143.4168.1-68.5-174171.700110Q224 A225 L226E222-Q224 PolarHBondContact O-N 3.04Å; E222-Q224 VanDerWaalsContact O-N 3.12Å; E222-A225 HydrophobicContact CB-CB 4.33Å; E222-A225 WeakPolarHBondContact O-CB 3.48Å; E222-A225 PolarHBondContact O-N 3.11Å; E222-L226 PolarHBondContact O-N 2.96Å
223P90.9Very high91.9Very high115 Ų11561.7 Ų61.775%0.74733%0.331SS*.Hα-helixtrans-54-37.9-176.7-28.434.9000113.7L226 E227P223-L226 PolarHBondContact O-N 3.09Å; P223-E227 PolarHBondContact O-N 3.39Å; P223-E227 VanDerWaalsContact O-N 3.09Å
224Q91.8Very high92Very high120 Ų12063.9 Ų63.956%0.56134%0.338SS*.Hα-helixtrans-67.4-43177.2-173.858.948.600111.9E222 L226 E227 D228E222-Q224 PolarHBondContact O-N 3.04Å; E222-Q224 VanDerWaalsContact O-N 3.12Å; Q224-L226 VanDerWaalsContact C-N 3.29Å; Q224-L226 PolarHBondContact O-N 2.8Å; Q224-E227 PolarHBondContact O-N 2.99Å; Q224-D228 PolarHBondContact NE2-OD1 2.93Å; Q224-D228 PolarHBondContact O-N 3.43Å
225A90.8Very high92.1Very high34 Ų3467.1 Ų67.128%0.28136%0.355SS..Hα-helixtrans-63.6-37.1177.700000111.6E222 D228 V229E222-A225 HydrophobicContact CB-CB 4.33Å; E222-A225 WeakPolarHBondContact O-CB 3.48Å; E222-A225 PolarHBondContact O-N 3.11Å; A225-D228 PolarHBondContact O-N 3.42Å; A225-V229 WeakPolarHBondContact O-CG2 3.36Å; A225-V229 PolarHBondContact O-N 2.96Å
226L91.2Very high92.2Very high8 Ų871.9 Ų71.94%0.04238%0.38CS..Hα-helixtrans-64.4-43.3175.2-169.863.9000111.7D206 L209 L221 E222 P223 Q224 D228 V229 K230D206-L226 HydrophobicContact CB-CD2 4.22Å; D206-L226 WeakPolarHBondContact OD1-CD2 3.42Å; L209-L226 HydrophobicContact CB-CD1 4.15Å; L209-L226 HydrophobicContact CB-CD2 4.43Å; L209-L226 HydrophobicContact CD1-CD1 3.92Å; L209-L226 HydrophobicContact CD1-CD2 4.47Å; L209-L226 HydrophobicContact CD1-CG 4.49Å; L221-L226 HydrophobicContact CB-CB 4.44Å; L221-L226 HydrophobicContact CD1-CD1 3.95Å; E222-L226 PolarHBondContact O-N 2.96Å; P223-L226 PolarHBondContact O-N 3.09Å; Q224-L226 VanDerWaalsContact C-N 3.29Å; Q224-L226 PolarHBondContact O-N 2.8Å; L226-D228 VanDerWaalsContact C-N 3.33Å; L226-V229 WeakPolarHBondContact O-CB 3.42Å; L226-V229 PolarHBondContact O-N 3.27Å; L226-K230 WeakPolarHBondContact O-CG 3.42Å; L226-K230 PolarHBondContact O-N 3.1Å
227E93.7Very high92.2Very high54 Ų5473.5 Ų73.525%0.25239%0.388SS..Hα-helixtrans-65.9-37176.3-171.153.4-148.200111.9P223 Q224 V229 K230 N231 R234P223-E227 PolarHBondContact O-N 3.39Å; P223-E227 VanDerWaalsContact O-N 3.09Å; Q224-E227 PolarHBondContact O-N 2.99Å; E227-V229 VanDerWaalsContact C-N 3.35Å; E227-V229 PolarHBondContact O-N 3.21Å; E227-K230 PolarHBondContact O-N 3.08Å; E227-N231 WeakPolarHBondContact O-CB 3.33Å; E227-N231 VanDerWaalsContact O-CG 3.23Å; E227-N231 PolarHBondContact O-N 2.69Å; E227-N231 PolarHBondContact O-ND2 2.8Å; E227-R234 IonicContact OE1-CZ 3.34Å; E227-R234 IonicContact OE1-NH1 3.66Å; E227-R234 PolarHBondContact OE1-NH1 3.29Å; E227-R234 IonicContact OE1-NH2 2.85Å; E227-R234 PolarHBondContact OE1-NH2 3.41Å; E227-R234 IonicContact OE2-NH2 3.91Å
228D93.5Very high92.1Very high79 Ų7979.4 Ų79.442%0.42242%0.419SS..Hα-helixtrans-62.5-41.8174.1-67.1-19.8000111.5Q224 A225 L226 N231 V232Q224-D228 PolarHBondContact NE2-OD1 2.93Å; Q224-D228 PolarHBondContact O-N 3.43Å; A225-D228 PolarHBondContact O-N 3.42Å; L226-D228 VanDerWaalsContact C-N 3.33Å; D228-N231 PolarHBondContact O-N 2.86Å; D228-V232 WeakPolarHBondContact O-CG2 3.36Å; D228-V232 PolarHBondContact O-N 3.41Å
229V92.9Very high92.3Very high49 Ų4974.9 Ų74.930%0.29740%0.395SS..Hα-helixtrans-60-48.7173.5170.20000110.6A225 L226 E227 N231 V232 V233 L254A225-V229 WeakPolarHBondContact O-CG2 3.36Å; A225-V229 PolarHBondContact O-N 2.96Å; L226-V229 WeakPolarHBondContact O-CB 3.42Å; L226-V229 PolarHBondContact O-N 3.27Å; E227-V229 VanDerWaalsContact C-N 3.35Å; E227-V229 PolarHBondContact O-N 3.21Å; V229-N231 VanDerWaalsContact C-N 3.3Å; V229-N231 PolarHBondContact O-N 3.41Å; V229-V232 WeakPolarHBondContact O-CB 3.49Å; V229-V232 PolarHBondContact O-N 3.4Å; V229-V232 VanDerWaalsContact O-N 3.15Å; V229-V233 PolarHBondContact O-N 3.17Å; V229-V233 VanDerWaalsContact O-N 3.12Å; V229-L254 HydrophobicContact CG1-CD1 3.58Å; V229-L254 HydrophobicContact CG1-CD2 3.82Å; V229-L254 HydrophobicContact CG1-CG 4.38Å
230K94.3Very high92.6Very high3 Ų371.6 Ų71.61%0.01337%0.372CS..Hα-helixtrans-61.4-38.8177-67.8175.3-170.8174.60112.2D206 L226 E227 V232 V233 R234 V241 N244D206-K230 WeakPolarHBondContact OD1-CE 3.35Å; D206-K230 IonicContact OD1-NZ 2.69Å; D206-K230 PolarHBondContact OD1-NZ 3.34Å; D206-K230 IonicContact OD2-NZ 3.01Å; L226-K230 WeakPolarHBondContact O-CG 3.42Å; L226-K230 PolarHBondContact O-N 3.1Å; E227-K230 PolarHBondContact O-N 3.08Å; K230-V232 VanDerWaalsContact C-N 3.31Å; K230-V232 PolarHBondContact O-N 2.92Å; K230-V233 WeakPolarHBondContact O-CB 3.3Å; K230-V233 PolarHBondContact O-N 3.48Å; K230-V233 VanDerWaalsContact O-N 3.1Å; K230-R234 WeakPolarHBondContact O-CG 3.41Å; K230-R234 PolarHBondContact O-N 3.07Å; K230-V241 HydrophobicContact CB-CG2 4.25Å; K230-N244 VanDerWaalsContact CE-O 3.27Å; K230-N244 WeakPolarHBondContact CE-O 3.28Å; K230-N244 PolarHBondContact NZ-ND2 3.28Å; K230-N244 PolarHBondContact NZ-O 3Å
231N94.9Very high93Very high58 Ų5868.9 Ų68.931%0.3135%0.354SS..Hα-helixtrans-63.2-36.7176.1-77.1-37.5000112.4E227 D228 V229 V233 R234 K235E227-N231 WeakPolarHBondContact O-CB 3.33Å; E227-N231 VanDerWaalsContact O-CG 3.23Å; E227-N231 PolarHBondContact O-N 2.69Å; E227-N231 PolarHBondContact O-ND2 2.8Å; D228-N231 PolarHBondContact O-N 2.86Å; V229-N231 VanDerWaalsContact C-N 3.3Å; V229-N231 PolarHBondContact O-N 3.41Å; N231-V233 VanDerWaalsContact C-N 3.33Å; N231-R234 PolarHBondContact OD1-NH1 2.83Å; N231-K235 WeakPolarHBondContact O-CB 3.32Å; N231-K235 VanDerWaalsContact O-CG 3.27Å; N231-K235 WeakPolarHBondContact O-CG 3.46Å; N231-K235 PolarHBondContact O-N 3.47Å; N231-K235 VanDerWaalsContact O-N 3.13Å
232V95.2Very high93.5Very high51 Ų5170.8 Ų70.831%0.30936%0.361SS..Hα-helixtrans-62.3-42.7171.3172.70000110.7D228 V229 K230 N236 L257D228-V232 WeakPolarHBondContact O-CG2 3.36Å; D228-V232 PolarHBondContact O-N 3.41Å; V229-V232 WeakPolarHBondContact O-CB 3.49Å; V229-V232 PolarHBondContact O-N 3.4Å; V229-V232 VanDerWaalsContact O-N 3.15Å; K230-V232 VanDerWaalsContact C-N 3.31Å; K230-V232 PolarHBondContact O-N 2.92Å; V232-N236 PolarHBondContact O-N 3.07Å; V232-N236 PolarHBondContact O-ND2 2.94Å; V232-L257 HydrophobicContact CG1-CD2 3.82Å
233V96.2Very high93.6Very high0 Ų072 Ų720%037%0.367CS..Hα-helixtrans-63.9-51.6176.8-177.60000111.1V229 K230 N231 K235 N236 L237 V241 L246 F253 L254V229-V233 PolarHBondContact O-N 3.17Å; V229-V233 VanDerWaalsContact O-N 3.12Å; K230-V233 WeakPolarHBondContact O-CB 3.3Å; K230-V233 PolarHBondContact O-N 3.48Å; K230-V233 VanDerWaalsContact O-N 3.1Å; N231-V233 VanDerWaalsContact C-N 3.33Å; V233-K235 PolarHBondContact O-N 2.66Å; V233-K235 VanDerWaalsContact O-N 3.16Å; V233-N236 PolarHBondContact O-N 2.75Å; V233-L237 HydrophobicContact CG1-CB 4.44Å; V233-L237 PolarHBondContact O-N 3.02Å; V233-V241 HydrophobicContact CB-CG2 3.84Å; V233-V241 HydrophobicContact CG1-CG2 3.81Å; V233-L246 HydrophobicContact CG1-CD1 4.34Å; V233-L246 HydrophobicContact CG2-CD1 3.97Å; V233-F253 HydrophobicContact CG1-CD1 4.33Å; V233-F253 HydrophobicContact CG2-CD1 4.18Å; V233-L254 HydrophobicContact CG2-CD1 4.06Å; V233-L254 HydrophobicContact CG2-CD2 3.49Å; V233-L254 VanDerWaalsContact CG2-CD2 3.49Å; V233-L254 HydrophobicContact CG2-CG 3.65Å
234R95.6Very high93.7Very high84 Ų8470 Ų7032%0.31735%0.35SS..Hα-helixtrans-56-35.8-179.4-68.9-178.7-162.1110.7-4.4113E227 K230 N231 N236 V241 N244E227-R234 IonicContact OE1-CZ 3.34Å; E227-R234 IonicContact OE1-NH1 3.66Å; E227-R234 PolarHBondContact OE1-NH1 3.29Å; E227-R234 IonicContact OE1-NH2 2.85Å; E227-R234 PolarHBondContact OE1-NH2 3.41Å; E227-R234 IonicContact OE2-NH2 3.91Å; K230-R234 WeakPolarHBondContact O-CG 3.41Å; K230-R234 PolarHBondContact O-N 3.07Å; N231-R234 PolarHBondContact OD1-NH1 2.83Å; R234-N236 VanDerWaalsContact C-N 3.33Å; R234-V241 HydrophobicContact CG-CB 3.86Å; R234-V241 HydrophobicContact CG-CG1 4.43Å; R234-V241 HydrophobicContact CG-CG2 3.88Å; R234-N244 PolarHBondContact NH2-OD1 3.01Å
235K95.5Very high93.8Very high177 Ų17764.3 Ų64.377%0.7732%0.323SS*.Hα-helixtrans-69.4-28.4178.6-77.4176.5-178.3179.50113.7N231 V233N231-K235 WeakPolarHBondContact O-CB 3.32Å; N231-K235 VanDerWaalsContact O-CG 3.27Å; N231-K235 WeakPolarHBondContact O-CG 3.46Å; N231-K235 PolarHBondContact O-N 3.47Å; N231-K235 VanDerWaalsContact O-N 3.13Å; V233-K235 PolarHBondContact O-N 2.66Å; V233-K235 VanDerWaalsContact O-N 3.16Å
236N94.6Very high94.2Very high107 Ų10763 Ų6357%0.57231%0.311SS*.Hα-helixtrans-109-22.7-173.4-68-80.9000113.2V232 V233 R234 F253V232-N236 PolarHBondContact O-N 3.07Å; V232-N236 PolarHBondContact O-ND2 2.94Å; V233-N236 PolarHBondContact O-N 2.75Å; R234-N236 VanDerWaalsContact C-N 3.33Å; N236-F253 HydrophobicContact CB-CE1 3.93Å; N236-F253 HydrophobicContact CB-CE2 3.8Å; N236-F253 HydrophobicContact CB-CZ 3.28Å
237L94Very high94.5Very high44 Ų4463.1 Ų63.123%0.2331%0.312CS..  trans-143.4110.7-174.5-171.468.2000110.5V233 D239 G240 K249 F253V233-L237 HydrophobicContact CG1-CB 4.44Å; V233-L237 PolarHBondContact O-N 3.02Å; L237-D239 VanDerWaalsContact C-N 3.32Å; L237-D239 PolarHBondContact O-N 3.18Å; L237-G240 PolarHBondContact O-N 3.36Å; L237-K249 HydrophobicContact CD2-CB 3.91Å; L237-F253 HydrophobicContact CD2-CB 4Å; L237-F253 HydrophobicContact CD2-CG 4.47Å
238M89.9Confident94.7Very high188 Ų18863 Ų6393%0.92631%0.313SS*.THydrogen-bonded Turntrans-61.8-36.7-173.4-66.4-122.7-58.600113.5
239D94.2Very high94.9Very high54 Ų5464.9 Ų64.929%0.28932%0.317SS..THydrogen-bonded Turntrans-102.615.9-179.263.5-16.9000113L237 T247 K249L237-D239 VanDerWaalsContact C-N 3.32Å; L237-D239 PolarHBondContact O-N 3.18Å; D239-T247 VanDerWaalsContact O-CG2 3.31Å; D239-T247 WeakPolarHBondContact O-CG2 3.48Å; D239-T247 PolarHBondContact O-OG1 3.13Å; D239-K249 WeakPolarHBondContact OD2-CD 3.32Å; D239-K249 WeakPolarHBondContact OD2-CE 3.28Å; D239-K249 IonicContact OD2-NZ 2.64Å; D239-K249 PolarHBondContact OD2-NZ 2.99Å
240G94.5Very high95.1Very high0 Ų062.5 Ų62.50%030%0.303CS..SBendtrans-78.1-19.517900000114.4L237 T247 G250L237-G240 PolarHBondContact O-N 3.36Å; G240-T247 WeakPolarHBondContact CA-OG1 3.44Å; G240-T247 PolarHBondContact O-N 3.01Å; G240-T247 PolarHBondContact O-OG1 3.04Å; G240-G250 WeakPolarHBondContact O-CA 3.42Å
241V96.8Very high95.3Very high17 Ų1762.7 Ų62.710%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-135.8126.8177.1-178.30000108.6K230 V233 R234 G245 L246K230-V241 HydrophobicContact CB-CG2 4.25Å; V233-V241 HydrophobicContact CB-CG2 3.84Å; V233-V241 HydrophobicContact CG1-CG2 3.81Å; R234-V241 HydrophobicContact CG-CB 3.86Å; R234-V241 HydrophobicContact CG-CG1 4.43Å; R234-V241 HydrophobicContact CG-CG2 3.88Å; V241-G245 CarbonylContact C-O 3.58Å; V241-G245 VanDerWaalsContact CA-O 3.32Å; V241-G245 WeakPolarHBondContact CA-O 3.27Å; V241-G245 VanDerWaalsContact CG1-O 3.3Å; V241-G245 WeakPolarHBondContact CG1-O 3.32Å; V241-L246 HydrophobicContact CG2-CD1 4.39Å
242Q94.7Very high95.4Very high96 Ų9661.3 Ų61.345%0.44930%0.296SS..EExtended strand (participates in β ladder)trans-132.6140.7177.9-69-179.520.400109.3I203 N244 G245 T247I203-Q242 WeakPolarHBondContact CD1-O 3.18Å; I203-Q242 HydrophobicContact CG2-CB 4.19Å; Q242-N244 PolarHBondContact O-N 2.83Å; Q242-G245 PolarHBondContact N-O 2.88Å; Q242-G245 WeakPolarHBondContact O-CA 3.43Å; Q242-G245 PolarHBondContact O-N 3.31Å; Q242-G245 VanDerWaalsContact O-O 3.06Å; Q242-T247 HydrophobicContact CB-CG2 3.85Å; Q242-T247 HydrophobicContact CG-CG2 3.6Å
243H91.3Very high95.5Very high175 Ų17561 Ų6181%0.8129%0.291SS*.THydrogen-bonded Turntrans48.434.5-179.1-56.2-66.5000114.7I203 G245I203-H243 HydrophobicContact CD1-CB 3.96Å; H243-G245 PolarHBondContact O-N 3.4Å
244N91.9Very high95.5Very high73 Ų7361.8 Ų61.839%0.3930%0.295SS..THydrogen-bonded Turntrans64.37.5-173.1-157.142.9000115.9K230 R234 Q242K230-N244 VanDerWaalsContact CE-O 3.27Å; K230-N244 WeakPolarHBondContact CE-O 3.28Å; K230-N244 PolarHBondContact NZ-ND2 3.28Å; K230-N244 PolarHBondContact NZ-O 3Å; R234-N244 PolarHBondContact NH2-OD1 3.01Å; Q242-N244 PolarHBondContact O-N 2.83Å
245G95.1Very high95.5Very high0 Ų058 Ų580%028%0.281CS..EExtended strand (participates in β ladder)trans-102.1156.8168.500000112.7L204 V241 Q242 H243L204-G245 CarbonylContact O-C 3.5Å; L204-G245 WeakPolarHBondContact O-CA 3.43Å; V241-G245 CarbonylContact C-O 3.58Å; V241-G245 VanDerWaalsContact CA-O 3.32Å; V241-G245 WeakPolarHBondContact CA-O 3.27Å; V241-G245 VanDerWaalsContact CG1-O 3.3Å; V241-G245 WeakPolarHBondContact CG1-O 3.32Å; Q242-G245 PolarHBondContact N-O 2.88Å; Q242-G245 WeakPolarHBondContact O-CA 3.43Å; Q242-G245 PolarHBondContact O-N 3.31Å; Q242-G245 VanDerWaalsContact O-O 3.06Å; H243-G245 PolarHBondContact O-N 3.4Å
246L97.6Very high95.5Very high6 Ų650.5 Ų50.53%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-82.1123179-174.771.3000109.7F193 I203 L204 L209 V233 V241 F251 L254F193-L246 WeakPolarHBondContact CE2-O 3.29Å; I203-L246 CarbonylContact C-O 3.57Å; I203-L246 WeakPolarHBondContact CA-O 3.44Å; L204-L246 HydrophobicContact CB-CB 4.37Å; L204-L246 PolarHBondContact N-O 3.45Å; L204-L246 PolarHBondContact O-N 3.15Å; L209-L246 HydrophobicContact CD1-CB 4.15Å; L209-L246 HydrophobicContact CD2-CB 4.4Å; L209-L246 HydrophobicContact CD2-CD2 4.03Å; V233-L246 HydrophobicContact CG1-CD1 4.34Å; V233-L246 HydrophobicContact CG2-CD1 3.97Å; V241-L246 HydrophobicContact CG2-CD1 4.39Å; L246-F251 HydrophobicContact CD2-CB 3.96Å; L246-F251 HydrophobicContact CD2-CD2 3.94Å; L246-F251 HydrophobicContact CD2-CG 4.47Å; L246-F251 HydrophobicContact CG-CB 4.32Å; L246-L254 HydrophobicContact CD1-CD1 4.02Å; L246-L254 HydrophobicContact CD2-CD1 3.76Å
247T98.2Very high95.5Very high11 Ų1146.7 Ų46.77%0.06723%0.229CC..EExtended strand (participates in β ladder)trans-78.5165.917770.90000110.9F193 I203 D239 G240 Q242 K249 G250 F251F193-T247 VanDerWaalsContact CE2-C 3.47Å; I203-T247 HydrophobicContact CG2-CG2 3.96Å; D239-T247 VanDerWaalsContact O-CG2 3.31Å; D239-T247 WeakPolarHBondContact O-CG2 3.48Å; D239-T247 PolarHBondContact O-OG1 3.13Å; G240-T247 WeakPolarHBondContact CA-OG1 3.44Å; G240-T247 PolarHBondContact O-N 3.01Å; G240-T247 PolarHBondContact O-OG1 3.04Å; Q242-T247 HydrophobicContact CB-CG2 3.85Å; Q242-T247 HydrophobicContact CG-CG2 3.6Å; T247-K249 PolarHBondContact O-N 2.78Å; T247-K249 PolarHBondContact OG1-N 2.75Å; T247-G250 CarbonylContact O-C 3.6Å; T247-G250 WeakPolarHBondContact O-CA 3.26Å; T247-G250 PolarHBondContact O-N 2.74Å; T247-G250 PolarHBondContact OG1-N 3.19Å; T247-F251 PolarHBondContact O-N 3.21Å
248L97.8Very high95.5Very high50 Ų5047.3 Ų47.326%0.26223%0.23SC..Hα-helixtrans-53.1-41.3172.817461.4000112.1T190 F193 F251 L252T190-L248 HydrophobicContact CG2-CD1 4.17Å; T190-L248 HydrophobicContact CG2-CD2 3.84Å; F193-L248 HydrophobicContact CB-CD1 3.74Å; F193-L248 HydrophobicContact CD1-CB 4.01Å; F193-L248 HydrophobicContact CD1-CD1 4.04Å; F193-L248 HydrophobicContact CD2-CB 4.36Å; F193-L248 HydrophobicContact CD2-CD1 4.21Å; F193-L248 HydrophobicContact CE1-CB 3.94Å; F193-L248 HydrophobicContact CE2-CB 4.26Å; F193-L248 VanDerWaalsContact CE2-N 3.32Å; F193-L248 HydrophobicContact CG-CB 4.24Å; F193-L248 HydrophobicContact CG-CD1 3.72Å; F193-L248 HydrophobicContact CZ-CB 4.07Å; F193-L248 VanDerWaalsContact CZ-N 3.26Å; L248-F251 PolarHBondContact O-N 3.23Å; L248-L252 HydrophobicContact CD1-CD1 4.13Å; L248-L252 HydrophobicContact CD1-CG 4.09Å; L248-L252 HydrophobicContact CG-CD1 4.19Å; L248-L252 WeakPolarHBondContact O-CG 3.14Å; L248-L252 PolarHBondContact O-N 3.18Å
249K97.5Very high95.6Very high119 Ų11938.8 Ų38.852%0.51719%0.189SC..Hα-helixtrans-65.5-40.8178-62.2-177.9-179.6-178.50111.6L237 D239 T247 F253L237-K249 HydrophobicContact CD2-CB 3.91Å; D239-K249 WeakPolarHBondContact OD2-CD 3.32Å; D239-K249 WeakPolarHBondContact OD2-CE 3.28Å; D239-K249 IonicContact OD2-NZ 2.64Å; D239-K249 PolarHBondContact OD2-NZ 2.99Å; T247-K249 PolarHBondContact O-N 2.78Å; T247-K249 PolarHBondContact OG1-N 2.75Å; K249-F253 VanDerWaalsContact O-CB 3.29Å; K249-F253 WeakPolarHBondContact O-CB 3.27Å; K249-F253 PolarHBondContact O-N 2.95Å
250G97.5Very high95.3Very high0 Ų041.2 Ų41.20%020%0.198CC..Hα-helixtrans-63.2-42.1173.700000112.6G240 T247 F253 L254G240-G250 WeakPolarHBondContact O-CA 3.42Å; T247-G250 CarbonylContact O-C 3.6Å; T247-G250 WeakPolarHBondContact O-CA 3.26Å; T247-G250 PolarHBondContact O-N 2.74Å; T247-G250 PolarHBondContact OG1-N 3.19Å; G250-F253 WeakPolarHBondContact O-CB 3.13Å; G250-F253 PolarHBondContact O-N 2.94Å; G250-L254 WeakPolarHBondContact O-CG 3.35Å; G250-L254 PolarHBondContact O-N 3.08Å
251F97.9Very high95.1Very high6 Ų649.3 Ų49.33%0.02623%0.229CC..Hα-helixtrans-61.7-48.9177.1-176.4-101.2000112.1L189 I192 F193 L204 F212 L246 T247 L248 F253 L254 H255L189-F251 HydrophobicContact CB-CE1 4.15Å; L189-F251 HydrophobicContact CD2-CE1 4.14Å; I192-F251 HydrophobicContact CG2-CZ 4.26Å; F193-F251 HydrophobicContact CB-CD1 4.11Å; F193-F251 HydrophobicContact CB-CE1 4.33Å; F193-F251 HydrophobicContact CD2-CB 3.68Å; F193-F251 HydrophobicContact CD2-CD1 4.07Å; F193-F251 HydrophobicContact CD2-CD2 4.34Å; F193-F251 AromaticContact CD2-CG 3.79Å; F193-F251 HydrophobicContact CD2-CG 3.79Å; F193-F251 HydrophobicContact CE2-CB 4.07Å; L204-F251 HydrophobicContact CD1-CD2 4.09Å; L204-F251 HydrophobicContact CD1-CE2 4.4Å; F212-F251 HydrophobicContact CE1-CE2 4.16Å; F212-F251 HydrophobicContact CE2-CE2 4.31Å; F212-F251 HydrophobicContact CE2-CZ 4.21Å; F212-F251 AromaticContact CZ-CE2 3.83Å; F212-F251 HydrophobicContact CZ-CE2 3.83Å; F212-F251 AromaticContact CZ-CZ 3.9Å; F212-F251 HydrophobicContact CZ-CZ 3.9Å; L246-F251 HydrophobicContact CD2-CB 3.96Å; L246-F251 HydrophobicContact CD2-CD2 3.94Å; L246-F251 HydrophobicContact CD2-CG 4.47Å; L246-F251 HydrophobicContact CG-CB 4.32Å; T247-F251 PolarHBondContact O-N 3.21Å; L248-F251 PolarHBondContact O-N 3.23Å; F251-F253 VanDerWaalsContact C-N 3.33Å; F251-F253 PolarHBondContact O-N 3.03Å; F251-L254 PolarHBondContact O-N 3.2Å; F251-H255 AromaticContact CE1-CD2 3.72Å; F251-H255 AromaticContact CE1-NE2 3.78Å; F251-H255 AromaticContact CE2-NE2 3.7Å; F251-H255 AromaticContact CZ-CD2 3.72Å; F251-H255 AromaticContact CZ-NE2 3.32Å; F251-H255 VanDerWaalsContact CZ-NE2 3.32Å; F251-H255 WeakPolarHBondContact CZ-NE2 3.49Å; F251-H255 PolarHBondContact O-CD2 3.47Å; F251-H255 PolarHBondContact O-N 3.3Å
252L97.6Very high94.5Very high29 Ų2950.3 Ų50.315%0.15224%0.242CC..Hα-helixtrans-61.8-41.3174.9-67.1175000111.6M181 V186 L189 L248 L254 H255 T256M181-L252 HydrophobicContact CE-CB 3.86Å; M181-L252 HydrophobicContact CE-CD2 3.95Å; M181-L252 HydrophobicContact CE-CG 4.47Å; M181-L252 VanDerWaalsContact CE-O 3.29Å; M181-L252 WeakPolarHBondContact CE-O 3.32Å; V186-L252 HydrophobicContact CG1-CD1 4.02Å; V186-L252 HydrophobicContact CG1-CD2 4.37Å; L189-L252 HydrophobicContact CB-CD2 3.68Å; L189-L252 HydrophobicContact CD1-CD2 4.13Å; L248-L252 HydrophobicContact CD1-CD1 4.13Å; L248-L252 HydrophobicContact CD1-CG 4.09Å; L248-L252 HydrophobicContact CG-CD1 4.19Å; L248-L252 WeakPolarHBondContact O-CG 3.14Å; L248-L252 PolarHBondContact O-N 3.18Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 3.3Å; L252-H255 PolarHBondContact O-N 3.33Å; L252-T256 PolarHBondContact O-N 3.26Å; L252-T256 PolarHBondContact O-OG1 2.84Å
253F96.4Very high94.2Very high46 Ų4653.1 Ų53.120%0.20225%0.249CC..Hα-helixtrans-59.8-41.9175.9169.8-95.7000112.6V233 N236 L237 K249 G250 F251 T256 L257V233-F253 HydrophobicContact CG1-CD1 4.33Å; V233-F253 HydrophobicContact CG2-CD1 4.18Å; N236-F253 HydrophobicContact CB-CE1 3.93Å; N236-F253 HydrophobicContact CB-CE2 3.8Å; N236-F253 HydrophobicContact CB-CZ 3.28Å; L237-F253 HydrophobicContact CD2-CB 4Å; L237-F253 HydrophobicContact CD2-CG 4.47Å; K249-F253 VanDerWaalsContact O-CB 3.29Å; K249-F253 WeakPolarHBondContact O-CB 3.27Å; K249-F253 PolarHBondContact O-N 2.95Å; G250-F253 WeakPolarHBondContact O-CB 3.13Å; G250-F253 PolarHBondContact O-N 2.94Å; F251-F253 VanDerWaalsContact C-N 3.33Å; F251-F253 PolarHBondContact O-N 3.03Å; F253-T256 WeakPolarHBondContact O-CB 3.45Å; F253-T256 PolarHBondContact O-N 3.29Å; F253-L257 WeakPolarHBondContact O-CB 3.44Å; F253-L257 PolarHBondContact O-N 3.37Å
254L96Very high94.2Very high15 Ų1545.9 Ų45.98%0.07922%0.215CC..Hα-helixtrans-61.6-44.1176.3-74.2178.1000111.8V229 V233 L246 G250 F251 L252 L257 F258V229-L254 HydrophobicContact CG1-CD1 3.58Å; V229-L254 HydrophobicContact CG1-CD2 3.82Å; V229-L254 HydrophobicContact CG1-CG 4.38Å; V233-L254 HydrophobicContact CG2-CD1 4.06Å; V233-L254 HydrophobicContact CG2-CD2 3.49Å; V233-L254 VanDerWaalsContact CG2-CD2 3.49Å; V233-L254 HydrophobicContact CG2-CG 3.65Å; L246-L254 HydrophobicContact CD1-CD1 4.02Å; L246-L254 HydrophobicContact CD2-CD1 3.76Å; G250-L254 WeakPolarHBondContact O-CG 3.35Å; G250-L254 PolarHBondContact O-N 3.08Å; F251-L254 PolarHBondContact O-N 3.2Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L254 PolarHBondContact O-N 3.3Å; L254-L257 WeakPolarHBondContact O-CB 3.39Å; L254-L257 PolarHBondContact O-N 3.45Å; L254-F258 HydrophobicContact CB-CE2 4.28Å; L254-F258 VanDerWaalsContact O-CD2 3.27Å; L254-F258 WeakPolarHBondContact O-CD2 3.43Å; L254-F258 VanDerWaalsContact O-CG 3.29Å; L254-F258 WeakPolarHBondContact O-CG 3.44Å; L254-F258 PolarHBondContact O-N 3.25Å
255H96.8Very high94.1Very high5 Ų544.5 Ų44.52%0.02321%0.207CC..Hα-helixtrans-64.7-39.5176.4-81-73.9000112.5M181 L189 F251 L252 L257 F258 I259 T267M181-H255 HydrophobicContact SD-CB 4.2Å; L189-H255 HydrophobicContact CD1-CB 3.71Å; F251-H255 AromaticContact CE1-CD2 3.72Å; F251-H255 AromaticContact CE1-NE2 3.78Å; F251-H255 AromaticContact CE2-NE2 3.7Å; F251-H255 AromaticContact CZ-CD2 3.72Å; F251-H255 AromaticContact CZ-NE2 3.32Å; F251-H255 VanDerWaalsContact CZ-NE2 3.32Å; F251-H255 WeakPolarHBondContact CZ-NE2 3.49Å; F251-H255 PolarHBondContact O-CD2 3.47Å; F251-H255 PolarHBondContact O-N 3.3Å; L252-H255 PolarHBondContact O-N 3.33Å; H255-L257 VanDerWaalsContact C-N 3.32Å; H255-L257 PolarHBondContact O-N 2.94Å; H255-F258 PolarHBondContact O-N 3.2Å; H255-I259 WeakPolarHBondContact O-CD1 3.26Å; H255-I259 VanDerWaalsContact O-CG1 3.3Å; H255-I259 WeakPolarHBondContact O-CG1 3.44Å; H255-I259 PolarHBondContact O-N 3.07Å; H255-I259 VanDerWaalsContact O-N 3.08Å; H255-T267 PolarHBondContact ND1-OG1 3.46Å
256T95.3Very high94.1Very high20 Ų2046.2 Ų46.212%0.12322%0.217CC..Hα-helixtrans-57.7-45.8170.2-60.20000111.4Y174 M181 L252 F253 F258 I259 Q260Y174-T256 HydrophobicContact CE2-CG2 4.22Å; M181-T256 VanDerWaalsContact CE-OG1 3.26Å; M181-T256 WeakPolarHBondContact CE-OG1 3.41Å; L252-T256 PolarHBondContact O-N 3.26Å; L252-T256 PolarHBondContact O-OG1 2.84Å; F253-T256 WeakPolarHBondContact O-CB 3.45Å; F253-T256 PolarHBondContact O-N 3.29Å; T256-F258 PolarHBondContact O-N 3.44Å; T256-I259 PolarHBondContact O-N 3.38Å; T256-Q260 HydrophobicContact CG2-CG 4.33Å; T256-Q260 WeakPolarHBondContact O-CB 3.5Å; T256-Q260 WeakPolarHBondContact O-CG 3.5Å; T256-Q260 PolarHBondContact O-N 3.46Å
257L93.8Very high94Very high26 Ų2646 Ų4614%0.13622%0.216CC..Hα-helixtrans-63.8-40180-173.969.6000112V232 F253 L254 H255 R261V232-L257 HydrophobicContact CG1-CD2 3.82Å; F253-L257 WeakPolarHBondContact O-CB 3.44Å; F253-L257 PolarHBondContact O-N 3.37Å; L254-L257 WeakPolarHBondContact O-CB 3.39Å; L254-L257 PolarHBondContact O-N 3.45Å; H255-L257 VanDerWaalsContact C-N 3.32Å; H255-L257 PolarHBondContact O-N 2.94Å; L257-R261 WeakPolarHBondContact O-CB 3.38Å; L257-R261 VanDerWaalsContact O-CG 3.32Å; L257-R261 WeakPolarHBondContact O-CG 3.49Å; L257-R261 PolarHBondContact O-N 2.79Å; L257-R261 VanDerWaalsContact O-N 3.07Å
258F94.3Very high93.9Very high58 Ų5845.4 Ų45.425%0.25421%0.212SC..Hα-helixtrans-62.2-45.2175.7-64-36.2000111.5L254 H255 T256 R261 G262 R263 T266L254-F258 HydrophobicContact CB-CE2 4.28Å; L254-F258 VanDerWaalsContact O-CD2 3.27Å; L254-F258 WeakPolarHBondContact O-CD2 3.43Å; L254-F258 VanDerWaalsContact O-CG 3.29Å; L254-F258 WeakPolarHBondContact O-CG 3.44Å; L254-F258 PolarHBondContact O-N 3.25Å; H255-F258 PolarHBondContact O-N 3.2Å; T256-F258 PolarHBondContact O-N 3.44Å; F258-R261 PolarHBondContact O-N 2.92Å; F258-G262 PolarHBondContact O-N 3.18Å; F258-R263 HydrophobicContact CB-CB 4.46Å; F258-R263 CarbonylContact O-C 3.58Å; F258-R263 WeakPolarHBondContact O-CA 3.39Å; F258-R263 PolarHBondContact O-N 3.46Å; F258-T266 HydrophobicContact CD2-CG2 4.12Å; F258-T266 HydrophobicContact CE2-CG2 4.2Å
259I91.8Very high93.8Very high9 Ų945.4 Ų45.45%0.04622%0.215CC..Hα-helixtrans-63.9-47.7178.8-63162.1000110.7T170 L173 Y174 M181 H255 T256 R261 G262 H264T170-I259 HydrophobicContact CG2-CG2 4.12Å; L173-I259 HydrophobicContact CB-CD1 4Å; L173-I259 HydrophobicContact CD1-CD1 4.34Å; Y174-I259 HydrophobicContact CD1-CG2 4.27Å; Y174-I259 HydrophobicContact CD2-CG2 4.18Å; Y174-I259 HydrophobicContact CG-CG2 3.83Å; M181-I259 HydrophobicContact CG-CD1 4.23Å; M181-I259 HydrophobicContact SD-CD1 4.1Å; H255-I259 WeakPolarHBondContact O-CD1 3.26Å; H255-I259 VanDerWaalsContact O-CG1 3.3Å; H255-I259 WeakPolarHBondContact O-CG1 3.44Å; H255-I259 PolarHBondContact O-N 3.07Å; H255-I259 VanDerWaalsContact O-N 3.08Å; T256-I259 PolarHBondContact O-N 3.38Å; I259-R261 PolarHBondContact O-N 2.88Å; I259-G262 PolarHBondContact O-N 2.89Å; I259-H264 HydrophobicContact CB-CB 4.46Å; I259-H264 HydrophobicContact CG1-CB 4Å; I259-H264 HydrophobicContact CG2-CB 4.41Å
260Q88.9Confident93.8Very high104 Ų10439.8 Ų39.849%0.48619%0.19SC..Hα-helixtrans-61.5-27.1178.9-73.9177.5-17.300113.5Y174 T256 G262Y174-Q260 HydrophobicContact CE2-CG 4.44Å; Y174-Q260 PolarHBondContact OH-NE2 3.43Å; T256-Q260 HydrophobicContact CG2-CG 4.33Å; T256-Q260 WeakPolarHBondContact O-CB 3.5Å; T256-Q260 WeakPolarHBondContact O-CG 3.5Å; T256-Q260 PolarHBondContact O-N 3.46Å; Q260-G262 VanDerWaalsContact C-N 3.31Å
261R89.4Confident93.8Very high170 Ų17039.8 Ų39.864%0.64219%0.19SC*.THydrogen-bonded Turntrans-88.98.7175.4-69.9-176.4176.2-172.20.4113.6L257 F258 I259 R263L257-R261 WeakPolarHBondContact O-CB 3.38Å; L257-R261 VanDerWaalsContact O-CG 3.32Å; L257-R261 WeakPolarHBondContact O-CG 3.49Å; L257-R261 PolarHBondContact O-N 2.79Å; L257-R261 VanDerWaalsContact O-N 3.07Å; F258-R261 PolarHBondContact O-N 2.92Å; I259-R261 PolarHBondContact O-N 2.88Å; R261-R263 VanDerWaalsContact C-N 3.29Å; R261-R263 PolarHBondContact O-N 3.36Å
262G84.3Confident93.7Very high38 Ų3842 Ų4239%0.39220%0.198SC..THydrogen-bonded Turntrans72.918-179.700000114.6K164 F258 I259 Q260K164-G262 PolarHBondContact NZ-O 3.46Å; K164-G262 VanDerWaalsContact NZ-O 3.15Å; F258-G262 PolarHBondContact O-N 3.18Å; I259-G262 PolarHBondContact O-N 2.89Å; Q260-G262 VanDerWaalsContact C-N 3.31Å
263R89.9Confident93.6Very high156 Ų15645.1 Ų45.159%0.58921%0.208SC*.  trans-10740.1178.8-60.5-169.9-178.9-171.6-2.1112.1F258 R261 E265 T266F258-R263 HydrophobicContact CB-CB 4.46Å; F258-R263 CarbonylContact O-C 3.58Å; F258-R263 WeakPolarHBondContact O-CA 3.39Å; F258-R263 PolarHBondContact O-N 3.46Å; R261-R263 VanDerWaalsContact C-N 3.29Å; R261-R263 PolarHBondContact O-N 3.36Å; R263-E265 WeakPolarHBondContact CA-OE2 3.33Å; R263-E265 PolarHBondContact O-N 3.37Å; R263-T266 WeakPolarHBondContact O-CB 3.44Å; R263-T266 PolarHBondContact O-N 2.99Å; R263-T266 PolarHBondContact O-OG1 3.06Å
264H89.8Confident93.7Very high22 Ų2243.1 Ų43.110%0.10220%0.199CC..Hα-helixtrans-68.8-16.8-177.948.5-102.1000113.2H168 L173 I259 T266 T267 W268H168-H264 PolarHBondContact O-CD2 3.03Å; H168-H264 PolarHBondContact O-NE2 3.29Å; L173-H264 HydrophobicContact CD1-CB 4.28Å; I259-H264 HydrophobicContact CB-CB 4.46Å; I259-H264 HydrophobicContact CG1-CB 4Å; I259-H264 HydrophobicContact CG2-CB 4.41Å; H264-T266 PolarHBondContact O-N 3.29Å; H264-T267 WeakPolarHBondContact O-CB 3.46Å; H264-T267 PolarHBondContact O-N 2.98Å; H264-T267 VanDerWaalsContact O-N 3.08Å; H264-W268 PolarHBondContact O-N 3.43Å
265E91.3Very high93.7Very high45 Ų4542.8 Ų42.821%0.2120%0.2CC..Hα-helixtrans-56.3-34.2170.966.4-84.3-158.300112.2K164 R263 T267 W268 T269K164-E265 WeakPolarHBondContact CE-OE2 3.27Å; K164-E265 IonicContact NZ-OE1 3.25Å; K164-E265 PolarHBondContact NZ-OE1 3.01Å; K164-E265 VanDerWaalsContact NZ-OE1 3.15Å; K164-E265 IonicContact NZ-OE2 2.68Å; K164-E265 PolarHBondContact NZ-OE2 3.49Å; R263-E265 WeakPolarHBondContact CA-OE2 3.33Å; R263-E265 PolarHBondContact O-N 3.37Å; E265-T267 VanDerWaalsContact C-N 3.34Å; E265-T267 PolarHBondContact O-N 3.41Å; E265-W268 PolarHBondContact O-N 3.09Å; E265-T269 WeakPolarHBondContact O-CB 3.34Å; E265-T269 PolarHBondContact O-N 3.23Å; E265-T269 PolarHBondContact O-OG1 3.45Å
266T93.6Very high93.7Very high36 Ų3643.6 Ų43.622%0.22120%0.203CC..Hα-helixtrans-63-42.7176.4-54.10000110.8F217 F258 R263 H264 T269 V270F217-T266 HydrophobicContact CE1-CG2 3.91Å; F217-T266 HydrophobicContact CZ-CG2 3.66Å; F258-T266 HydrophobicContact CD2-CG2 4.12Å; F258-T266 HydrophobicContact CE2-CG2 4.2Å; R263-T266 WeakPolarHBondContact O-CB 3.44Å; R263-T266 PolarHBondContact O-N 2.99Å; R263-T266 PolarHBondContact O-OG1 3.06Å; H264-T266 PolarHBondContact O-N 3.29Å; T266-T269 PolarHBondContact O-N 3.09Å; T266-V270 WeakPolarHBondContact O-CG2 3.38Å; T266-V270 PolarHBondContact O-N 2.9Å
267T96.7Very high93.6Very high0 Ų044.8 Ų44.80%021%0.208CC..Hα-helixtrans-67-43.6176.4-57.90000110.9L173 L189 H255 H264 E265 T269 V270 L271L173-T267 HydrophobicContact CD1-CG2 4.03Å; L189-T267 HydrophobicContact CD1-CG2 4.4Å; L189-T267 HydrophobicContact CD2-CG2 4.4Å; H255-T267 PolarHBondContact ND1-OG1 3.46Å; H264-T267 WeakPolarHBondContact O-CB 3.46Å; H264-T267 PolarHBondContact O-N 2.98Å; H264-T267 VanDerWaalsContact O-N 3.08Å; E265-T267 VanDerWaalsContact C-N 3.34Å; E265-T267 PolarHBondContact O-N 3.41Å; T267-T269 VanDerWaalsContact C-N 3.33Å; T267-T269 PolarHBondContact O-N 3.41Å; T267-V270 PolarHBondContact O-N 3.05Å; T267-L271 HydrophobicContact CG2-CD1 3.97Å; T267-L271 HydrophobicContact CG2-CG 4.46Å; T267-L271 WeakPolarHBondContact O-CG 3.44Å; T267-L271 PolarHBondContact O-N 3.07Å
268W96.1Very high93.5Very high0 Ų045.7 Ų45.70%021%0.213CC..Hα-helixtrans-63.3-37.2176.3-82.9117.1000113.4H168 P169 P172 L173 H264 E265 V270 L271 R272 D277 L280H168-W268 VanDerWaalsContact C-NE1 3.31Å; H168-W268 HydrophobicContact CB-CG 4.28Å; H168-W268 VanDerWaalsContact ND1-CB 3.3Å; H168-W268 WeakPolarHBondContact ND1-CB 3.33Å; H168-W268 AromaticContact ND1-CD1 3.9Å; H168-W268 AromaticContact ND1-CG 3.74Å; P169-W268 HydrophobicContact CG-CZ2 3.87Å; P169-W268 WeakPolarHBondContact O-CZ2 3.44Å; P169-W268 PolarHBondContact O-NE1 3.42Å; P172-W268 HydrophobicContact CB-CH2 4.11Å; P172-W268 HydrophobicContact CB-CZ2 4.04Å; P172-W268 HydrophobicContact CG-CH2 4.34Å; P172-W268 HydrophobicContact CG-CZ2 4.09Å; L173-W268 HydrophobicContact CD1-CD2 4.22Å; L173-W268 HydrophobicContact CD1-CG 4.24Å; L173-W268 HydrophobicContact CD1-CZ2 4.16Å; L173-W268 VanDerWaalsContact CD1-NE1 3.32Å; L173-W268 HydrophobicContact CD2-CD2 4.41Å; L173-W268 HydrophobicContact CD2-CH2 3.94Å; L173-W268 HydrophobicContact CD2-CZ2 3.64Å; L173-W268 HydrophobicContact CD2-CZ3 4.44Å; L173-W268 HydrophobicContact CG-CH2 4.49Å; L173-W268 HydrophobicContact CG-CZ2 3.71Å; H264-W268 PolarHBondContact O-N 3.43Å; E265-W268 PolarHBondContact O-N 3.09Å; W268-V270 VanDerWaalsContact C-N 3.32Å; W268-V270 PolarHBondContact O-N 3.28Å; W268-L271 HydrophobicContact CD2-CD1 4.33Å; W268-L271 HydrophobicContact CE3-CB 4.22Å; W268-L271 HydrophobicContact CE3-CD1 3.83Å; W268-L271 HydrophobicContact CZ3-CD1 4Å; W268-L271 PolarHBondContact O-N 3.41Å; W268-R272 WeakPolarHBondContact O-CB 3.41Å; W268-R272 WeakPolarHBondContact O-CG 3.45Å; W268-R272 PolarHBondContact O-N 3.39Å; W268-D277 WeakPolarHBondContact CZ3-O 3.41Å; W268-L280 HydrophobicContact CH2-CD2 3.76Å; W268-L280 HydrophobicContact CH2-CG 4.44Å; W268-L280 HydrophobicContact CZ3-CD2 3.81Å
269T95.4Very high93.3Very high50 Ų5048.7 Ų48.731%0.30723%0.232SC..Hα-helixtrans-59.2-46175.5-59.10000110.5C216 F217 E265 T266 T267 R273C216-T269 WeakPolarHBondContact O-CG2 3.41Å; F217-T269 HydrophobicContact CD1-CG2 3.91Å; F217-T269 HydrophobicContact CE1-CG2 3.72Å; E265-T269 WeakPolarHBondContact O-CB 3.34Å; E265-T269 PolarHBondContact O-N 3.23Å; E265-T269 PolarHBondContact O-OG1 3.45Å; T266-T269 PolarHBondContact O-N 3.09Å; T267-T269 VanDerWaalsContact C-N 3.33Å; T267-T269 PolarHBondContact O-N 3.41Å; T269-R273 WeakPolarHBondContact O-CB 3.4Å; T269-R273 PolarHBondContact O-N 2.97Å
270V97.7Very high93.5Very high0 Ų049 Ų490%023%0.234CC..Hα-helixtrans-62.3-51175.3170.50000111L189 I192 F212 C216 F217 T266 T267 W268 R272 R273 F274L189-V270 HydrophobicContact CD2-CG1 4.49Å; I192-V270 HydrophobicContact CD1-CG1 3.87Å; I192-V270 HydrophobicContact CG2-CG1 3.95Å; F212-V270 HydrophobicContact CE1-CG2 4.2Å; F212-V270 HydrophobicContact CE2-CG1 3.87Å; F212-V270 HydrophobicContact CE2-CG2 4.49Å; F212-V270 HydrophobicContact CZ-CB 4.29Å; F212-V270 HydrophobicContact CZ-CG1 3.62Å; F212-V270 HydrophobicContact CZ-CG2 3.62Å; C216-V270 HydrophobicContact CB-CG2 4.22Å; F217-V270 HydrophobicContact CE2-CG2 4.09Å; F217-V270 HydrophobicContact CZ-CG2 3.62Å; T266-V270 WeakPolarHBondContact O-CG2 3.38Å; T266-V270 PolarHBondContact O-N 2.9Å; T267-V270 PolarHBondContact O-N 3.05Å; W268-V270 VanDerWaalsContact C-N 3.32Å; W268-V270 PolarHBondContact O-N 3.28Å; V270-R272 PolarHBondContact O-N 3.05Å; V270-R273 PolarHBondContact O-N 3.42Å; V270-F274 HydrophobicContact CG1-CD2 4.46Å; V270-F274 WeakPolarHBondContact O-CD2 3.5Å; V270-F274 PolarHBondContact O-N 3.3Å
271L97.8Very high93.8Very high0 Ų050.2 Ų50.20%024%0.239CC..Hα-helixtrans-56.2-49.9-179.7-73.1166.4000111.7L173 A188 L189 I192 T267 W268 R273 F274 G275 Y276 L280L173-L271 HydrophobicContact CD2-CD1 3.51Å; A188-L271 HydrophobicContact CB-CD2 3.71Å; L189-L271 HydrophobicContact CD2-CD2 4.28Å; I192-L271 HydrophobicContact CD1-CD2 4.05Å; T267-L271 HydrophobicContact CG2-CD1 3.97Å; T267-L271 HydrophobicContact CG2-CG 4.46Å; T267-L271 WeakPolarHBondContact O-CG 3.44Å; T267-L271 PolarHBondContact O-N 3.07Å; W268-L271 HydrophobicContact CD2-CD1 4.33Å; W268-L271 HydrophobicContact CE3-CB 4.22Å; W268-L271 HydrophobicContact CE3-CD1 3.83Å; W268-L271 HydrophobicContact CZ3-CD1 4Å; W268-L271 PolarHBondContact O-N 3.41Å; L271-R273 PolarHBondContact O-N 2.95Å; L271-F274 CarbonylContact O-C 3.52Å; L271-F274 PolarHBondContact O-N 3.49Å; L271-F274 VanDerWaalsContact O-N 3.15Å; L271-G275 PolarHBondContact O-N 3.45Å; L271-Y276 HydrophobicContact CD2-CD2 4.07Å; L271-Y276 HydrophobicContact CD2-CG 4.31Å; L271-Y276 WeakPolarHBondContact O-CB 3.44Å; L271-Y276 WeakPolarHBondContact O-CD2 3.42Å; L271-Y276 PolarHBondContact O-N 3.22Å; L271-L280 HydrophobicContact CD1-CD2 3.66Å; L271-L280 HydrophobicContact CD2-CD2 4.2Å; L271-L280 HydrophobicContact CG-CD2 4.49Å
272R95.4Very high94.1Very high54 Ų5443.3 Ų43.320%0.20422%0.215CC..Hα-helixtrans-65.7-37.1179.8-71.3177.7178.7149.66.3112.6L167 H168 W268 V270 F274 G275 D278L167-R272 PolarHBondContact O-NH1 3.3Å; L167-R272 PolarHBondContact O-NH2 3.37Å; H168-R272 PolarHBondContact CE1-NH1 2.94Å; H168-R272 PolarHBondContact ND1-NH1 3.26Å; W268-R272 WeakPolarHBondContact O-CB 3.41Å; W268-R272 WeakPolarHBondContact O-CG 3.45Å; W268-R272 PolarHBondContact O-N 3.39Å; V270-R272 PolarHBondContact O-N 3.05Å; R272-F274 PolarHBondContact O-N 3.01Å; R272-G275 PolarHBondContact O-N 2.63Å; R272-D278 IonicContact CZ-OD1 2.83Å; R272-D278 IonicContact NE-OD1 2.75Å; R272-D278 IonicContact NH2-OD1 3.05Å; R272-D278 PolarHBondContact NH2-OD1 3.01Å
273R95.5Very high94.6Very high94 Ų9444.3 Ų44.336%0.35521%0.211SC..Hα-helixtrans-60.5-32.6175.8-175.763.6-178.8108.4-5.1112.1V215 T269 V270 L271 G275V215-R273 HydrophobicContact CG1-CG 4Å; V215-R273 WeakPolarHBondContact O-CD 3.44Å; V215-R273 PolarHBondContact O-NE 3.36Å; T269-R273 WeakPolarHBondContact O-CB 3.4Å; T269-R273 PolarHBondContact O-N 2.97Å; V270-R273 PolarHBondContact O-N 3.42Å; L271-R273 PolarHBondContact O-N 2.95Å; R273-G275 VanDerWaalsContact C-N 3.32Å
274F97.2Very high94.9Very high3 Ų342.5 Ų42.51%0.01321%0.209CC..THydrogen-bonded Turntrans-90.912.1177.4-78.4-104.4000114.3I192 V195 F212 V270 L271 R272 Y276 L282 I388I192-F274 HydrophobicContact CB-CD1 4.23Å; I192-F274 HydrophobicContact CB-CE1 4.41Å; I192-F274 HydrophobicContact CB-CG 4.39Å; I192-F274 HydrophobicContact CD1-CB 3.69Å; I192-F274 HydrophobicContact CD1-CD1 4.48Å; I192-F274 HydrophobicContact CD1-CD2 4.13Å; I192-F274 HydrophobicContact CD1-CG 3.86Å; I192-F274 HydrophobicContact CG1-CB 3.74Å; I192-F274 HydrophobicContact CG1-CD1 3.75Å; I192-F274 HydrophobicContact CG1-CD2 4.2Å; I192-F274 HydrophobicContact CG1-CE1 4.41Å; I192-F274 HydrophobicContact CG1-CG 3.63Å; I192-F274 HydrophobicContact CG2-CD1 4.06Å; I192-F274 HydrophobicContact CG2-CD2 3.95Å; I192-F274 HydrophobicContact CG2-CE1 3.9Å; I192-F274 HydrophobicContact CG2-CE2 3.78Å; I192-F274 HydrophobicContact CG2-CG 4.09Å; I192-F274 HydrophobicContact CG2-CZ 3.76Å; V195-F274 HydrophobicContact CB-CE1 4.14Å; V195-F274 HydrophobicContact CG1-CD1 4.4Å; V195-F274 HydrophobicContact CG1-CE1 3.8Å; F212-F274 HydrophobicContact CD2-CE2 4.17Å; F212-F274 HydrophobicContact CD2-CZ 4.18Å; F212-F274 AromaticContact CE2-CE2 3.92Å; F212-F274 HydrophobicContact CE2-CE2 3.92Å; F212-F274 HydrophobicContact CE2-CZ 4.24Å; V270-F274 HydrophobicContact CG1-CD2 4.46Å; V270-F274 WeakPolarHBondContact O-CD2 3.5Å; V270-F274 PolarHBondContact O-N 3.3Å; L271-F274 CarbonylContact O-C 3.52Å; L271-F274 PolarHBondContact O-N 3.49Å; L271-F274 VanDerWaalsContact O-N 3.15Å; R272-F274 PolarHBondContact O-N 3.01Å; F274-Y276 HydrophobicContact CB-CD2 4.21Å; F274-Y276 HydrophobicContact CB-CE2 4.3Å; F274-L282 WeakPolarHBondContact O-CD2 3.25Å; F274-I388 HydrophobicContact CB-CD1 4.04Å; F274-I388 HydrophobicContact CD1-CD1 3.28Å; F274-I388 HydrophobicContact CD2-CD1 4.39Å; F274-I388 HydrophobicContact CE1-CD1 3.75Å; F274-I388 HydrophobicContact CE1-CG2 4.06Å; F274-I388 HydrophobicContact CE2-CG2 4.4Å; F274-I388 HydrophobicContact CG-CD1 3.65Å; F274-I388 HydrophobicContact CZ-CD1 4.48Å; F274-I388 HydrophobicContact CZ-CG2 3.97Å
275G96Very high95.1Very high9 Ų947.6 Ų47.69%0.09324%0.237CC..THydrogen-bonded Turntrans89.16.6171.400000115.3L271 R272 R273 N283L271-G275 PolarHBondContact O-N 3.45Å; R272-G275 PolarHBondContact O-N 2.63Å; R273-G275 VanDerWaalsContact C-N 3.32Å; G275-N283 WeakPolarHBondContact O-CB 3.35Å; G275-N283 PolarHBondContact O-N 3.32Å
276Y97.2Very high95.3Very high21 Ų2147 Ų478%0.08223%0.233CC..BIsolated β-bridgetrans-79.1144.3177.7-66.8-83.7000112.5A188 R191 I192 L271 F274 L280 E281 L282A188-Y276 WeakPolarHBondContact CA-OH 3.04Å; A188-Y276 HydrophobicContact CB-CD1 4.12Å; A188-Y276 HydrophobicContact CB-CD2 4.41Å; A188-Y276 HydrophobicContact CB-CE1 3.68Å; A188-Y276 HydrophobicContact CB-CE2 4Å; A188-Y276 HydrophobicContact CB-CG 4.45Å; A188-Y276 PolarHBondContact O-OH 3.46Å; R191-Y276 WeakPolarHBondContact CD-OH 3.36Å; R191-Y276 PolarHBondContact NH1-OH 3.08Å; I192-Y276 HydrophobicContact CD1-CD2 4.12Å; I192-Y276 HydrophobicContact CD1-CE2 3.88Å; I192-Y276 HydrophobicContact CG1-CE2 3.93Å; L271-Y276 HydrophobicContact CD2-CD2 4.07Å; L271-Y276 HydrophobicContact CD2-CG 4.31Å; L271-Y276 WeakPolarHBondContact O-CB 3.44Å; L271-Y276 WeakPolarHBondContact O-CD2 3.42Å; L271-Y276 PolarHBondContact O-N 3.22Å; F274-Y276 HydrophobicContact CB-CD2 4.21Å; F274-Y276 HydrophobicContact CB-CE2 4.3Å; Y276-L280 WeakPolarHBondContact CD1-O 3.4Å; Y276-E281 CarbonylContact C-O 3.47Å; Y276-E281 VanDerWaalsContact CA-O 3.27Å; Y276-E281 WeakPolarHBondContact CA-O 3.36Å; Y276-L282 HydrophobicContact CD1-CD2 3.93Å; Y276-L282 HydrophobicContact CD1-CG 4.22Å; Y276-L282 HydrophobicContact CD2-CD2 4.09Å; Y276-L282 HydrophobicContact CE1-CD2 3.85Å; Y276-L282 HydrophobicContact CE1-CG 3.93Å; Y276-L282 HydrophobicContact CE2-CD2 4.02Å; Y276-L282 HydrophobicContact CG-CD2 4.06Å
277D93.6Very high95.4Very high46 Ų4645.5 Ų45.525%0.24622%0.224CC..  trans-96.1-172.7170.363.623000112.5W268 D279 L280 E281W268-D277 WeakPolarHBondContact CZ3-O 3.41Å; D277-D279 PolarHBondContact O-N 3.18Å; D277-D279 PolarHBondContact OD1-N 2.67Å; D277-L280 PolarHBondContact O-N 3.15Å; D277-L280 VanDerWaalsContact O-N 3.08Å; D277-L280 PolarHBondContact OD1-N 2.76Å; D277-E281 PolarHBondContact N-O 2.94Å; D277-E281 PolarHBondContact OD1-N 3.25Å
278D90.9Very high95.4Very high45 Ų4549.1 Ų49.124%0.24124%0.24CC..THydrogen-bonded Turntrans-71.2-17.4-174.8-59.4-24000112.7P172 R272 L280P172-D278 WeakPolarHBondContact CG-O 3.38Å; R272-D278 IonicContact CZ-OD1 2.83Å; R272-D278 IonicContact NE-OD1 2.75Å; R272-D278 IonicContact NH2-OD1 3.05Å; R272-D278 PolarHBondContact NH2-OD1 3.01Å; D278-L280 VanDerWaalsContact C-N 3.31Å
279D91.4Very high95.4Very high121 Ų12149.6 Ų49.665%0.64724%0.243SC*.THydrogen-bonded Turntrans-90.10.8173.7-65.2-47.7000112.3D277 E281D277-D279 PolarHBondContact O-N 3.18Å; D277-D279 PolarHBondContact OD1-N 2.67Å; D279-E281 PolarHBondContact O-N 3.27Å
280L95.1Very high95.4Very high15 Ų1553.3 Ų53.38%0.07927%0.268CS..SBendtrans63.629.9-176.8-52.6171.8000112.8P172 L173 L184 C185 W268 L271 Y276 D277 D278P172-L280 HydrophobicContact CB-CD1 4.24Å; P172-L280 HydrophobicContact CB-CG 4.37Å; P172-L280 WeakPolarHBondContact O-CD1 3.41Å; L173-L280 HydrophobicContact CD2-CD1 4.39Å; L173-L280 HydrophobicContact CD2-CD2 3.89Å; L184-L280 HydrophobicContact CB-CB 4.38Å; L184-L280 HydrophobicContact CB-CD1 3.9Å; C185-L280 HydrophobicContact CB-CD1 3.87Å; W268-L280 HydrophobicContact CH2-CD2 3.76Å; W268-L280 HydrophobicContact CH2-CG 4.44Å; W268-L280 HydrophobicContact CZ3-CD2 3.81Å; L271-L280 HydrophobicContact CD1-CD2 3.66Å; L271-L280 HydrophobicContact CD2-CD2 4.2Å; L271-L280 HydrophobicContact CG-CD2 4.49Å; Y276-L280 WeakPolarHBondContact CD1-O 3.4Å; D277-L280 PolarHBondContact O-N 3.15Å; D277-L280 VanDerWaalsContact O-N 3.08Å; D277-L280 PolarHBondContact OD1-N 2.76Å; D278-L280 VanDerWaalsContact C-N 3.31Å
281E95.6Very high95.3Very high130 Ų13055.8 Ų55.861%0.60728%0.281SS*.SBendtrans-101.1154.5168.8-60.4-164.7162.100110.2Y276 D277 D279 N283Y276-E281 CarbonylContact C-O 3.47Å; Y276-E281 VanDerWaalsContact CA-O 3.27Å; Y276-E281 WeakPolarHBondContact CA-O 3.36Å; D277-E281 PolarHBondContact N-O 2.94Å; D277-E281 PolarHBondContact OD1-N 3.25Å; D279-E281 PolarHBondContact O-N 3.27Å; E281-N283 PolarHBondContact O-N 2.93Å
282L96.6Very high95.3Very high25 Ų2565.1 Ų65.113%0.13132%0.322CS..BIsolated β-bridgetrans-75.9123.5175.5-73.3172.6000109.1F274 Y276 Q284 Y286 L287 Y383F274-L282 WeakPolarHBondContact O-CD2 3.25Å; Y276-L282 HydrophobicContact CD1-CD2 3.93Å; Y276-L282 HydrophobicContact CD1-CG 4.22Å; Y276-L282 HydrophobicContact CD2-CD2 4.09Å; Y276-L282 HydrophobicContact CE1-CD2 3.85Å; Y276-L282 HydrophobicContact CE1-CG 3.93Å; Y276-L282 HydrophobicContact CE2-CD2 4.02Å; Y276-L282 HydrophobicContact CG-CD2 4.06Å; L282-Q284 PolarHBondContact O-N 3.04Å; L282-Y286 HydrophobicContact CD2-CD1 4.35Å; L282-Y286 HydrophobicContact CD2-CE1 4.35Å; L282-L287 HydrophobicContact CB-CD1 3.92Å; L282-L287 HydrophobicContact CB-CD2 4.37Å; L282-L287 HydrophobicContact CB-CG 4.12Å; L282-L287 HydrophobicContact CD1-CD2 4.19Å; L282-Y383 HydrophobicContact CD1-CD1 3.66Å; L282-Y383 HydrophobicContact CD1-CE1 3.75Å
283N94.6Very high95.3Very high59 Ų5966 Ų6632%0.31633%0.33SS..PPolyproline II helixtrans-58.1134.4-178.2-171.7-34.6000110.6G275 E281 D285 Y286 L287G275-N283 WeakPolarHBondContact O-CB 3.35Å; G275-N283 PolarHBondContact O-N 3.32Å; E281-N283 PolarHBondContact O-N 2.93Å; N283-D285 PolarHBondContact O-N 2.87Å; N283-D285 PolarHBondContact OD1-N 3.26Å; N283-Y286 WeakPolarHBondContact O-CA 3.26Å; N283-Y286 WeakPolarHBondContact O-CB 3.47Å; N283-Y286 PolarHBondContact O-N 3.42Å; N283-L287 PolarHBondContact O-N 3.36Å; N283-L287 VanDerWaalsContact O-N 3.1Å
284Q95Very high95.3Very high117 Ų11764.9 Ų64.955%0.54734%0.335SS..Hα-helixtrans-58.5-35.8178.8-62.3-62.3-51.300112.2L282 Y286 L287 F288L282-Q284 PolarHBondContact O-N 3.04Å; Q284-Y286 VanDerWaalsContact C-N 3.26Å; Q284-Y286 PolarHBondContact O-N 3.5Å; Q284-L287 PolarHBondContact O-N 3.48Å; Q284-F288 HydrophobicContact CB-CD2 4.5Å; Q284-F288 WeakPolarHBondContact O-CA 3.29Å; Q284-F288 WeakPolarHBondContact O-CB 3.34Å; Q284-F288 WeakPolarHBondContact O-CD2 3.45Å; Q284-F288 PolarHBondContact O-N 2.81Å
285D93.5Very high95.1Very high129 Ų12970.2 Ų70.269%0.6937%0.369SS*.Hα-helixtrans-68.1-28.1176.8-67.4-25.8000112.2N283N283-D285 PolarHBondContact O-N 2.87Å; N283-D285 PolarHBondContact OD1-N 3.26Å
286Y95.7Very high94.8Very high32 Ų3273.3 Ų73.313%0.12538%0.384CS..Hα-helixtrans-74.9-38.5173.9169.5-92.3000111.7L282 N283 Q284 G382 S387 Q395L282-Y286 HydrophobicContact CD2-CD1 4.35Å; L282-Y286 HydrophobicContact CD2-CE1 4.35Å; N283-Y286 WeakPolarHBondContact O-CA 3.26Å; N283-Y286 WeakPolarHBondContact O-CB 3.47Å; N283-Y286 PolarHBondContact O-N 3.42Å; Q284-Y286 VanDerWaalsContact C-N 3.26Å; Q284-Y286 PolarHBondContact O-N 3.5Å; Y286-G382 WeakPolarHBondContact CE1-O 3.29Å; Y286-G382 PolarHBondContact OH-O 3.31Å; Y286-S387 WeakPolarHBondContact CE2-OG 3.46Å; Y286-Q395 PolarHBondContact O-NE2 2.87Å; Y286-Q395 PolarHBondContact O-OE1 3.24Å; Y286-Q395 VanDerWaalsContact O-OE1 3.04Å
287L96.9Very high94.8Very high5 Ų573.4 Ų73.43%0.02639%0.388CS..Hα-helixtrans-80.5-34.3-179.9-67.7179.2000113.1L282 N283 Q284 P289 L378 E379 Y383L282-L287 HydrophobicContact CB-CD1 3.92Å; L282-L287 HydrophobicContact CB-CD2 4.37Å; L282-L287 HydrophobicContact CB-CG 4.12Å; L282-L287 HydrophobicContact CD1-CD2 4.19Å; N283-L287 PolarHBondContact O-N 3.36Å; N283-L287 VanDerWaalsContact O-N 3.1Å; Q284-L287 PolarHBondContact O-N 3.48Å; L287-P289 VanDerWaalsContact O-CD 3.27Å; L287-P289 WeakPolarHBondContact O-CD 3.35Å; L287-L378 CarbonylContact O-C 3.47Å; L287-E379 WeakPolarHBondContact O-CA 3.2Å; L287-E379 PolarHBondContact O-N 3.16Å; L287-Y383 HydrophobicContact CD1-CE1 3.83Å; L287-Y383 HydrophobicContact CD2-CD1 3.86Å; L287-Y383 HydrophobicContact CD2-CE1 3.65Å; L287-Y383 HydrophobicContact CG-CE1 4.42Å
288F96.4Very high94.9Very high76 Ų7672 Ų7233%0.33338%0.381SS..SBendtrans-122.162.3-173.8-55-73.8000111.3Q284 E379Q284-F288 HydrophobicContact CB-CD2 4.5Å; Q284-F288 WeakPolarHBondContact O-CA 3.29Å; Q284-F288 WeakPolarHBondContact O-CB 3.34Å; Q284-F288 WeakPolarHBondContact O-CD2 3.45Å; Q284-F288 PolarHBondContact O-N 2.81Å; F288-E379 HydrophobicContact CE1-CB 3.82Å; F288-E379 HydrophobicContact CE1-CG 4.08Å; F288-E379 HydrophobicContact CZ-CB 4.17Å; F288-E379 HydrophobicContact CZ-CG 3.9Å
289P96.5Very high95.3Very high10 Ų1070.3 Ų70.37%0.06537%0.372CS..  trans-60.9145.917829.7-37.8000110.6L287 L291 L378 Q395 A396L287-P289 VanDerWaalsContact O-CD 3.27Å; L287-P289 WeakPolarHBondContact O-CD 3.35Å; P289-L291 PolarHBondContact O-N 2.93Å; P289-L291 VanDerWaalsContact O-N 3.14Å; P289-L378 HydrophobicContact CG-CB 4.48Å; P289-L378 HydrophobicContact CG-CD1 4.22Å; P289-L378 HydrophobicContact CG-CD2 4.28Å; P289-Q395 HydrophobicContact CG-CB 4.31Å; P289-A396 HydrophobicContact CB-CB 4.47Å; P289-A396 HydrophobicContact CG-CB 4.2Å
290P95.1Very high95.7Very high128 Ų12865 Ų6583%0.83134%0.343SS*.  trans-66.1117.2-175.626.1-34.2000111.5
291L96.3Very high95.8Very high53 Ų5364.6 Ų64.628%0.27734%0.341SS..  trans-128.6112.5174.2-17865.4000110.4P289 I293 V374 L378 A396 I399 V401P289-L291 PolarHBondContact O-N 2.93Å; P289-L291 VanDerWaalsContact O-N 3.14Å; L291-I293 HydrophobicContact CG-CG1 4.44Å; L291-V374 HydrophobicContact CD2-CG2 3.71Å; L291-L378 HydrophobicContact CB-CD1 4.27Å; L291-L378 HydrophobicContact CD2-CD1 4.21Å; L291-A396 HydrophobicContact CD1-CB 4.45Å; L291-I399 HydrophobicContact CD2-CB 4.16Å; L291-I399 HydrophobicContact CD2-CG1 4.38Å; L291-I399 HydrophobicContact CD2-CG2 3.9Å; L291-V401 HydrophobicContact CD1-CG2 4.06Å
292K95.8Very high95.9Very high196 Ų19660 Ų6085%0.85232%0.321SS*.  trans-89122.7178.5-67.4-176.8-179.3177.70110.6
293I96.7Very high95.9Very high73 Ų7365.1 Ų65.137%0.37434%0.344SS..  trans-109.9112.7178.2-58165.8000108.6L291 C297 T299 V374L291-I293 HydrophobicContact CG-CG1 4.44Å; I293-C297 HydrophobicContact CG2-CB 4.25Å; I293-T299 HydrophobicContact CD1-CG2 3.55Å; I293-T299 HydrophobicContact CG1-CG2 3.96Å; I293-V374 HydrophobicContact CD1-CB 4.41Å; I293-V374 HydrophobicContact CD1-CG1 3.37Å
294P96.1Very high96Very high70 Ų7066.8 Ų66.846%0.45535%0.353SS..  trans-65.7155.8175.7-19.332.1000111.9C297P294-C297 VanDerWaalsContact O-CB 3.3Å; P294-C297 WeakPolarHBondContact O-CB 3.48Å; P294-C297 PolarHBondContact O-N 3.09Å
295P92.4Very high96.2Very high114 Ų11461.2 Ų61.274%0.7433%0.327SS*.THydrogen-bonded Turntrans-56.4148.6173.2-23.733.6000112.4C297P295-C297 PolarHBondContact O-N 3.46Å; P295-C297 VanDerWaalsContact O-N 3.13Å
296D90.3Very high96.4Very high75 Ų7556.9 Ų56.940%0.40130%0.301SS..THydrogen-bonded Turntrans62.54.9-177-57.4-38.7000115.8A404 K405 K406 R416D296-A404 HydrophobicContact CB-CB 4.22Å; D296-K405 HydrophobicContact CB-CB 4.41Å; D296-K405 PolarHBondContact O-N 2.96Å; D296-K406 WeakPolarHBondContact OD2-CD 3.28Å; D296-K406 WeakPolarHBondContact OD2-CE 3.37Å; D296-K406 IonicContact OD2-NZ 3.64Å; D296-K406 PolarHBondContact OD2-NZ 3.46Å; D296-R416 PolarHBondContact O-NH2 3.42Å
297C95.9Very high96.5Very high23 Ų2359.2 Ų59.216%0.15532%0.315CS..  trans-88.5164.2170.6-63.30000111.3I293 P294 P295 V401 T402 A404I293-C297 HydrophobicContact CG2-CB 4.25Å; P294-C297 VanDerWaalsContact O-CB 3.3Å; P294-C297 WeakPolarHBondContact O-CB 3.48Å; P294-C297 PolarHBondContact O-N 3.09Å; P295-C297 PolarHBondContact O-N 3.46Å; P295-C297 VanDerWaalsContact O-N 3.13Å; C297-V401 HydrophobicContact CB-CG1 3.99Å; C297-T402 VanDerWaalsContact CB-O 3.23Å; C297-T402 WeakPolarHBondContact CB-O 3.32Å; C297-T402 PolarHBondContact SG-O 2.91Å; C297-A404 PolarHBondContact SG-N 3.35Å; C297-A404 VanDerWaalsContact SG-N 3.42Å
298T97.1Very high96.6Very high17 Ų1759.6 Ų59.610%0.10432%0.316CS..  trans-130.6164.9172.4570000109.3Y371 T402 R416T298-Y371 HydrophobicContact CG2-CD2 4.43Å; T298-Y371 HydrophobicContact CG2-CE2 3.59Å; T298-T402 PolarHBondContact N-OG1 3.32Å; T298-T402 PolarHBondContact O-N 3.39Å; T298-T402 PolarHBondContact O-OG1 3.44Å; T298-T402 WeakPolarHBondContact OG1-CG2 3.23Å; T298-T402 PolarHBondContact OG1-OG1 3.4Å; T298-R416 VanDerWaalsContact CG2-CZ 3.48Å; T298-R416 VanDerWaalsContact OG1-CZ 3.29Å; T298-R416 PolarHBondContact OG1-NE 3.47Å
299T98.4Very high96.7Very high8 Ų856 Ų565%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-111.8134.4178.938.40000110.1I293 T370 V374 I399 V401I293-T299 HydrophobicContact CD1-CG2 3.55Å; I293-T299 HydrophobicContact CG1-CG2 3.96Å; T299-T370 WeakPolarHBondContact CB-O 3.37Å; T299-T370 PolarHBondContact OG1-O 3.27Å; T299-V374 HydrophobicContact CG2-CB 4.15Å; T299-V374 HydrophobicContact CG2-CG1 4.38Å; T299-V374 HydrophobicContact CG2-CG2 3.94Å; T299-I399 HydrophobicContact CG2-CG2 3.98Å; T299-V401 HydrophobicContact CG2-CG2 4.34Å
300E98.6Very high96.8Very high9 Ų957.9 Ų57.94%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-133.5153177.7-61.5-175.4-174.300109.4T400 T402 R416 N417 V418E300-T400 PolarHBondContact N-O 2.96Å; E300-T400 PolarHBondContact O-N 2.98Å; E300-T402 HydrophobicContact CG-CG2 3.96Å; E300-R416 WeakPolarHBondContact OE1-CA 3.22Å; E300-R416 WeakPolarHBondContact OE1-CB 3.43Å; E300-N417 PolarHBondContact OE1-N 3.44Å; E300-N417 WeakPolarHBondContact OE2-CB 3.36Å; E300-N417 PolarHBondContact OE2-N 3.06Å; E300-N417 PolarHBondContact OE2-ND2 3.28Å; E300-V418 HydrophobicContact CG-CG2 3.97Å; E300-V418 PolarHBondContact OE1-N 2.92Å
301L98.6Very high96.9Very high7 Ų754.7 Ų54.74%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-71.9138.6169.3-67.1164.5000109.4A305 Y306 L309 W366 T370 I399L301-A305 HydrophobicContact CB-CB 4.24Å; L301-A305 HydrophobicContact CD2-CB 3.94Å; L301-Y306 HydrophobicContact CB-CD2 3.9Å; L301-Y306 HydrophobicContact CB-CE1 4.47Å; L301-Y306 HydrophobicContact CB-CE2 3.55Å; L301-Y306 HydrophobicContact CB-CG 4.49Å; L301-Y306 HydrophobicContact CD1-CE1 4.09Å; L301-Y306 WeakPolarHBondContact O-CE2 3.37Å; L301-L309 HydrophobicContact CD1-CD1 3.68Å; L301-L309 HydrophobicContact CD2-CD1 4.49Å; L301-W366 HydrophobicContact CD1-CB 3.93Å; L301-T370 HydrophobicContact CD2-CG2 4.29Å; L301-T370 HydrophobicContact CG-CG2 4.11Å; L301-T370 WeakPolarHBondContact CG-OG1 3.19Å; L301-I399 HydrophobicContact CD2-CD1 3.94Å
302N97.6Very high97Very high34 Ų3452.7 Ų52.718%0.18228%0.279CS..  trans-80.8173.3171.876.921.8000111.4N304 A305 Y306 A397 G398 T400N302-N304 VanDerWaalsContact C-N 3.34Å; N302-N304 PolarHBondContact O-N 3.34Å; N302-N304 PolarHBondContact OD1-N 3.29Å; N302-A305 PolarHBondContact O-N 3.26Å; N302-A305 PolarHBondContact OD1-N 3.05Å; N302-Y306 VanDerWaalsContact O-CD2 3.29Å; N302-Y306 WeakPolarHBondContact O-CD2 3.27Å; N302-Y306 PolarHBondContact O-N 2.9Å; N302-A397 PolarHBondContact ND2-O 3.03Å; N302-G398 PolarHBondContact N-O 2.93Å; N302-T400 WeakPolarHBondContact CB-OG1 3.37Å
303H96.8Very high97.1Very high133 Ų13343.4 Ų43.462%0.61624%0.239SC*.Hα-helixtrans-58.5-42.1-178.2-178.257.9000113.3A305 Y306 L307H303-A305 VanDerWaalsContact C-N 3.35Å; H303-A305 PolarHBondContact O-N 3.17Å; H303-Y306 PolarHBondContact O-N 2.92Å; H303-L307 WeakPolarHBondContact O-CG 3.42Å; H303-L307 PolarHBondContact O-N 2.87Å
304N97.2Very high97.1Very high94 Ų9444.6 Ų44.650%0.50325%0.246SC..Hα-helixtrans-67.5-36.3-179.4-65.3-15.2000111.9N302 L307 F308N302-N304 VanDerWaalsContact C-N 3.34Å; N302-N304 PolarHBondContact O-N 3.34Å; N302-N304 PolarHBondContact OD1-N 3.29Å; N304-L307 PolarHBondContact O-N 2.95Å; N304-F308 PolarHBondContact O-N 3.29Å
305A98.2Very high97.1Very high0 Ų043 Ų430%023%0.232CC..Hα-helixtrans-66.1-39.8174.100000111.4L301 N302 H303 F308 L309 Y386 G398L301-A305 HydrophobicContact CB-CB 4.24Å; L301-A305 HydrophobicContact CD2-CB 3.94Å; N302-A305 PolarHBondContact O-N 3.26Å; N302-A305 PolarHBondContact OD1-N 3.05Å; H303-A305 VanDerWaalsContact C-N 3.35Å; H303-A305 PolarHBondContact O-N 3.17Å; A305-F308 PolarHBondContact O-N 3.24Å; A305-L309 VanDerWaalsContact O-CG 3.29Å; A305-L309 WeakPolarHBondContact O-CG 3.27Å; A305-L309 PolarHBondContact O-N 2.87Å; A305-Y386 HydrophobicContact CB-CE2 4.38Å; A305-G398 WeakPolarHBondContact CB-O 3.45Å
306Y98.3Very high97.3Very high37 Ų3738.2 Ų38.215%0.14520%0.2CC..Hα-helixtrans-61.1-48.1171.1-81.6-70.1000111.7L301 N302 H303 F308 L309 Q310 L363 T367L301-Y306 HydrophobicContact CB-CD2 3.9Å; L301-Y306 HydrophobicContact CB-CE1 4.47Å; L301-Y306 HydrophobicContact CB-CE2 3.55Å; L301-Y306 HydrophobicContact CB-CG 4.49Å; L301-Y306 HydrophobicContact CD1-CE1 4.09Å; L301-Y306 WeakPolarHBondContact O-CE2 3.37Å; N302-Y306 VanDerWaalsContact O-CD2 3.29Å; N302-Y306 WeakPolarHBondContact O-CD2 3.27Å; N302-Y306 PolarHBondContact O-N 2.9Å; H303-Y306 PolarHBondContact O-N 2.92Å; Y306-F308 VanDerWaalsContact C-N 3.28Å; Y306-F308 PolarHBondContact O-N 2.98Å; Y306-L309 PolarHBondContact O-N 3.08Å; Y306-L309 VanDerWaalsContact O-N 3.16Å; Y306-Q310 WeakPolarHBondContact O-CB 3.47Å; Y306-Q310 WeakPolarHBondContact O-CG 3.42Å; Y306-Q310 PolarHBondContact O-N 3.38Å; Y306-L363 HydrophobicContact CD1-CD2 4.27Å; Y306-L363 HydrophobicContact CE1-CB 4.49Å; Y306-T367 PolarHBondContact OH-OG1 3.46Å
307L98.1Very high97.7Very high81 Ų8135.2 Ų35.242%0.42418%0.184SC..Hα-helixtrans-57.6-41.5177.5-69.5177.3000112.4H303 N304 Q310 S311H303-L307 WeakPolarHBondContact O-CG 3.42Å; H303-L307 PolarHBondContact O-N 2.87Å; N304-L307 PolarHBondContact O-N 2.95Å; L307-Q310 PolarHBondContact O-N 3.43Å; L307-S311 PolarHBondContact O-N 2.96Å
308F98.4Very high97.6Very high13 Ų1339.9 Ų39.96%0.05720%0.201CC..Hα-helixtrans-60.1-51.6174.3171-101.1000111.8N304 A305 Y306 Q310 S311 V312 L381 L384 Y386 I389N304-F308 PolarHBondContact O-N 3.29Å; A305-F308 PolarHBondContact O-N 3.24Å; Y306-F308 VanDerWaalsContact C-N 3.28Å; Y306-F308 PolarHBondContact O-N 2.98Å; F308-Q310 VanDerWaalsContact C-N 3.27Å; F308-Q310 PolarHBondContact O-N 3.26Å; F308-S311 PolarHBondContact O-N 2.76Å; F308-S311 VanDerWaalsContact O-N 3.1Å; F308-S311 PolarHBondContact O-OG 3.29Å; F308-V312 HydrophobicContact CD1-CG2 4.3Å; F308-V312 HydrophobicContact CD2-CG2 4.47Å; F308-V312 HydrophobicContact CE1-CG2 3.87Å; F308-V312 HydrophobicContact CE2-CG2 4.05Å; F308-V312 HydrophobicContact CZ-CG2 3.74Å; F308-V312 WeakPolarHBondContact O-CG2 3.39Å; F308-V312 PolarHBondContact O-N 3.03Å; F308-L381 HydrophobicContact CD1-CD2 4.16Å; F308-L381 HydrophobicContact CE1-CD2 4.03Å; F308-L384 HydrophobicContact CE1-CB 4.02Å; F308-L384 HydrophobicContact CE1-CD1 4.13Å; F308-L384 HydrophobicContact CZ-CB 3.87Å; F308-Y386 HydrophobicContact CB-CD2 3.91Å; F308-Y386 HydrophobicContact CB-CE2 3.98Å; F308-Y386 AromaticContact CD1-CD2 3.54Å; F308-Y386 HydrophobicContact CD1-CD2 3.54Å; F308-Y386 HydrophobicContact CD1-CE2 4.37Å; F308-Y386 HydrophobicContact CD1-CG 4.4Å; F308-Y386 HydrophobicContact CD2-CD2 4.02Å; F308-Y386 AromaticContact CE1-CD2 3.99Å; F308-Y386 HydrophobicContact CE1-CD2 3.99Å; F308-Y386 HydrophobicContact CE1-CG 4.45Å; F308-Y386 HydrophobicContact CE2-CD2 4.44Å; F308-Y386 AromaticContact CG-CD2 3.54Å; F308-Y386 HydrophobicContact CG-CD2 3.54Å; F308-Y386 HydrophobicContact CG-CE2 4.13Å; F308-Y386 HydrophobicContact CZ-CD2 4.41Å; F308-I389 HydrophobicContact CD2-CB 4.5Å; F308-I389 HydrophobicContact CD2-CG2 4.22Å; F308-I389 HydrophobicContact CE2-CB 4.01Å; F308-I389 HydrophobicContact CE2-CD1 3.78Å; F308-I389 HydrophobicContact CE2-CG1 4.48Å; F308-I389 HydrophobicContact CE2-CG2 4.06Å; F308-I389 HydrophobicContact CZ-CD1 4.39Å
309L98.6Very high97.5Very high0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-63.4-34.5-179.9-69.7174000112.1L301 A305 Y306 V312 F313 Y362 L363 W366 L381 L384L301-L309 HydrophobicContact CD1-CD1 3.68Å; L301-L309 HydrophobicContact CD2-CD1 4.49Å; A305-L309 VanDerWaalsContact O-CG 3.29Å; A305-L309 WeakPolarHBondContact O-CG 3.27Å; A305-L309 PolarHBondContact O-N 2.87Å; Y306-L309 PolarHBondContact O-N 3.08Å; Y306-L309 VanDerWaalsContact O-N 3.16Å; L309-V312 PolarHBondContact O-N 2.82Å; L309-F313 PolarHBondContact O-N 3.48Å; L309-Y362 HydrophobicContact CB-CE1 4.04Å; L309-Y362 VanDerWaalsContact O-CE1 3.26Å; L309-Y362 WeakPolarHBondContact O-CE1 3.09Å; L309-L363 HydrophobicContact CB-CD2 4.07Å; L309-W366 HydrophobicContact CD1-CB 3.71Å; L309-W366 HydrophobicContact CD1-CD2 3.77Å; L309-W366 HydrophobicContact CD1-CE3 4.09Å; L309-W366 HydrophobicContact CD1-CG 3.6Å; L309-W366 HydrophobicContact CD2-CD2 3.64Å; L309-W366 VanDerWaalsContact CD2-CE2 3.45Å; L309-W366 HydrophobicContact CD2-CE3 4.05Å; L309-W366 HydrophobicContact CD2-CG 4.08Å; L309-W366 HydrophobicContact CD2-CH2 4.07Å; L309-W366 HydrophobicContact CD2-CZ2 3.71Å; L309-W366 HydrophobicContact CD2-CZ3 4.25Å; L309-W366 HydrophobicContact CG-CD2 4.36Å; L309-W366 HydrophobicContact CG-CG 4.42Å; L309-L381 HydrophobicContact CD2-CD2 4.1Å; L309-L384 HydrophobicContact CD2-CD1 4.24Å
310Q98.3Very high97.4Very high51 Ų5153.3 Ų53.324%0.23826%0.256CS..Hα-helixtrans-61.9-47.3172.2-68.6174.3-1300110.9Y306 L307 F308 V312 F313 D314 Y359 L363Y306-Q310 WeakPolarHBondContact O-CB 3.47Å; Y306-Q310 WeakPolarHBondContact O-CG 3.42Å; Y306-Q310 PolarHBondContact O-N 3.38Å; L307-Q310 PolarHBondContact O-N 3.43Å; F308-Q310 VanDerWaalsContact C-N 3.27Å; F308-Q310 PolarHBondContact O-N 3.26Å; Q310-V312 VanDerWaalsContact C-N 3.29Å; Q310-V312 PolarHBondContact O-N 3.25Å; Q310-F313 WeakPolarHBondContact O-CB 3.37Å; Q310-F313 PolarHBondContact O-N 2.83Å; Q310-F313 VanDerWaalsContact O-N 3.12Å; Q310-D314 VanDerWaalsContact O-CG 3.3Å; Q310-D314 PolarHBondContact O-N 3.25Å; Q310-Y359 HydrophobicContact CB-CE2 4.27Å; Q310-Y359 HydrophobicContact CG-CE2 4Å; Q310-Y359 WeakPolarHBondContact CG-OH 3.47Å; Q310-Y359 PolarHBondContact NE2-OH 3.15Å; Q310-L363 HydrophobicContact CG-CD1 4.09Å; Q310-L363 HydrophobicContact CG-CD2 4.09Å
311S97.4Very high97.4Very high61 Ų6156 Ų5643%0.42727%0.271SS..Hα-helixtrans-62.1-36.4176.2700000112.7L307 F308 D314 K315L307-S311 PolarHBondContact O-N 2.96Å; F308-S311 PolarHBondContact O-N 2.76Å; F308-S311 VanDerWaalsContact O-N 3.1Å; F308-S311 PolarHBondContact O-OG 3.29Å; S311-D314 PolarHBondContact O-N 3.38Å; S311-K315 WeakPolarHBondContact O-CB 3.43Å; S311-K315 PolarHBondContact O-N 2.96Å
312V98.1Very high97.3Very high11 Ų1159.4 Ų59.47%0.06729%0.294CS..Hα-helixtrans-66.1-40.1174.6174.10000111F308 L309 Q310 H316 L332 L384F308-V312 HydrophobicContact CD1-CG2 4.3Å; F308-V312 HydrophobicContact CD2-CG2 4.47Å; F308-V312 HydrophobicContact CE1-CG2 3.87Å; F308-V312 HydrophobicContact CE2-CG2 4.05Å; F308-V312 HydrophobicContact CZ-CG2 3.74Å; F308-V312 WeakPolarHBondContact O-CG2 3.39Å; F308-V312 PolarHBondContact O-N 3.03Å; L309-V312 PolarHBondContact O-N 2.82Å; Q310-V312 VanDerWaalsContact C-N 3.29Å; Q310-V312 PolarHBondContact O-N 3.25Å; V312-H316 PolarHBondContact O-CD2 3.34Å; V312-H316 PolarHBondContact O-N 3.05Å; V312-L332 HydrophobicContact CG1-CD1 4.08Å; V312-L332 HydrophobicContact CG1-CG 4.16Å; V312-L384 HydrophobicContact CG1-CD1 4.3Å; V312-L384 HydrophobicContact CG1-CD2 4.1Å
313F98.4Very high97.3Very high0 Ų057.8 Ų57.80%029%0.286CS..Hα-helixtrans-61.5-54.1174.6-178-80.2000111.1L309 Q310 K315 H316 D317 L324 Y359 Y362L309-F313 PolarHBondContact O-N 3.48Å; Q310-F313 WeakPolarHBondContact O-CB 3.37Å; Q310-F313 PolarHBondContact O-N 2.83Å; Q310-F313 VanDerWaalsContact O-N 3.12Å; F313-K315 PolarHBondContact O-N 3.03Å; F313-H316 PolarHBondContact O-N 2.72Å; F313-D317 HydrophobicContact CD1-CB 4.11Å; F313-D317 HydrophobicContact CE1-CB 3.7Å; F313-D317 HydrophobicContact CZ-CB 4.36Å; F313-D317 PolarHBondContact O-N 3.26Å; F313-L324 HydrophobicContact CD2-CD1 3.78Å; F313-L324 HydrophobicContact CD2-CD2 4.26Å; F313-L324 HydrophobicContact CD2-CG 3.9Å; F313-L324 HydrophobicContact CE2-CD1 3.81Å; F313-L324 HydrophobicContact CE2-CD2 4.09Å; F313-L324 HydrophobicContact CE2-CG 3.5Å; F313-L324 VanDerWaalsContact CE2-CG 3.5Å; F313-L324 HydrophobicContact CZ-CD2 4.42Å; F313-L324 HydrophobicContact CZ-CG 4.12Å; F313-Y359 HydrophobicContact CB-CD2 4.33Å; F313-Y359 AromaticContact CD1-CD2 3.54Å; F313-Y359 HydrophobicContact CD1-CD2 3.54Å; F313-Y359 HydrophobicContact CD1-CE2 4.35Å; F313-Y359 HydrophobicContact CD1-CG 4.45Å; F313-Y359 HydrophobicContact CD2-CD2 4.34Å; F313-Y359 AromaticContact CE1-CD2 3.87Å; F313-Y359 HydrophobicContact CE1-CD2 3.87Å; F313-Y359 HydrophobicContact CE1-CG 4.39Å; F313-Y359 VanDerWaalsContact CE2-CA 3.4Å; F313-Y359 AromaticContact CG-CD2 3.8Å; F313-Y359 HydrophobicContact CG-CD2 3.8Å; F313-Y359 VanDerWaalsContact CZ-CA 3.49Å; F313-Y359 HydrophobicContact CZ-CD2 4.4Å; F313-Y362 HydrophobicContact CB-CD1 3.99Å; F313-Y362 HydrophobicContact CB-CE1 3.96Å; F313-Y362 AromaticContact CD2-CD1 3.79Å; F313-Y362 HydrophobicContact CD2-CD1 3.79Å; F313-Y362 HydrophobicContact CD2-CD2 4.06Å; F313-Y362 HydrophobicContact CD2-CE1 4.47Å; F313-Y362 AromaticContact CD2-CG 3.59Å; F313-Y362 HydrophobicContact CD2-CG 3.59Å; F313-Y362 HydrophobicContact CE2-CG 4.32Å; F313-Y362 HydrophobicContact CG-CD1 4.33Å
314D97.2Very high97.4Very high99 Ų9951.6 Ų51.653%0.52926%0.257SS..Hα-helixtrans-60.9-32.7-176.1-63.9-22.5000111.8Q310 S311 H316Q310-D314 VanDerWaalsContact O-CG 3.3Å; Q310-D314 PolarHBondContact O-N 3.25Å; S311-D314 PolarHBondContact O-N 3.38Å; D314-H316 VanDerWaalsContact C-N 3.27Å; D314-H316 PolarHBondContact O-N 2.94Å
315K95.1Very high97.4Very high37 Ų3747.7 Ų47.716%0.16124%0.237CC..Hα-helixtrans-62.3-30.6174.1177.3-176.6170.7-1790113.2K194 D197 N200 S311 F313K194-K315 PolarHBondContact O-NZ 3.35Å; D197-K315 WeakPolarHBondContact O-CE 3.43Å; D197-K315 PolarHBondContact O-NZ 2.96Å; N200-K315 HydrophobicContact CB-CD 4.11Å; N200-K315 VanDerWaalsContact CB-CE 3.46Å; N200-K315 HydrophobicContact CB-CG 3.44Å; N200-K315 VanDerWaalsContact CB-CG 3.44Å; N200-K315 WeakPolarHBondContact CB-O 3.36Å; N200-K315 PolarHBondContact ND2-O 3.37Å; S311-K315 WeakPolarHBondContact O-CB 3.43Å; S311-K315 PolarHBondContact O-N 2.96Å; F313-K315 PolarHBondContact O-N 3.03Å
316H97.3Very high97.3Very high12 Ų1251.2 Ų51.26%0.05626%0.26CS..Hα-helixtrans-107.6-16.3-175.8-71.4-74.1000114.1N200 V312 F313 D314 K318 L324 E328 D331 L332N200-H316 PolarHBondContact ND2-CE1 3.2Å; N200-H316 PolarHBondContact ND2-ND1 3.4Å; V312-H316 PolarHBondContact O-CD2 3.34Å; V312-H316 PolarHBondContact O-N 3.05Å; F313-H316 PolarHBondContact O-N 2.72Å; D314-H316 VanDerWaalsContact C-N 3.27Å; D314-H316 PolarHBondContact O-N 2.94Å; H316-K318 VanDerWaalsContact C-N 3.34Å; H316-K318 PolarHBondContact O-N 3.01Å; H316-L324 HydrophobicContact CB-CD2 4.15Å; H316-E328 WeakPolarHBondContact O-CB 3.32Å; H316-E328 WeakPolarHBondContact O-CG 3.41Å; H316-D331 IonicContact CE1-OD2 2.62Å; H316-D331 IonicContact ND1-OD2 3.94Å; H316-D331 PolarHBondContact ND1-OD2 3.45Å; H316-L332 HydrophobicContact CB-CB 4.18Å; H316-L332 HydrophobicContact CB-CD1 4.27Å
317D97.2Very high97.3Very high12 Ų1254.3 Ų54.36%0.06428%0.279CS..  trans-75.781.4169.2-179.75.6000110.2F313 R320 D321 C322 L324F313-D317 HydrophobicContact CD1-CB 4.11Å; F313-D317 HydrophobicContact CE1-CB 3.7Å; F313-D317 HydrophobicContact CZ-CB 4.36Å; F313-D317 PolarHBondContact O-N 3.26Å; D317-R320 WeakPolarHBondContact OD1-CA 3.45Å; D317-R320 PolarHBondContact OD1-N 2.94Å; D317-D321 PolarHBondContact OD1-N 3.26Å; D317-D321 VanDerWaalsContact OD1-N 3.14Å; D317-C322 VanDerWaalsContact OD2-CA 3.26Å; D317-C322 WeakPolarHBondContact OD2-CA 3.29Å; D317-C322 PolarHBondContact OD2-N 2.91Å; D317-L324 HydrophobicContact CB-CD2 4.49Å
318K95.1Very high97.3Very high121 Ų12151 Ų5153%0.52626%0.262SS..SBendtrans-76-34.1-171.8-69.3-179.9-174.6173.40111.6N200 H316 E328 D331N200-K318 WeakPolarHBondContact ND2-CE 3.13Å; H316-K318 VanDerWaalsContact C-N 3.34Å; H316-K318 PolarHBondContact O-N 3.01Å; K318-E328 PolarHBondContact N-OE1 3.32Å; K318-D331 WeakPolarHBondContact CE-OD2 3.36Å; K318-D331 IonicContact NZ-OD1 3.62Å; K318-D331 IonicContact NZ-OD2 3.59Å; K318-D331 PolarHBondContact NZ-OD2 2.83Å
319D95.6Very high97.2Very high92 Ų9251.4 Ų51.449%0.49226%0.264SS..SBendtrans-87.8-7.31796915.3000113.7D321 E328D319-D321 VanDerWaalsContact C-N 3.29Å; D319-D321 PolarHBondContact O-N 3.43Å; D319-D321 WeakPolarHBondContact OD1-CB 3.38Å; D319-D321 VanDerWaalsContact OD1-CG 3.31Å; D319-D321 PolarHBondContact OD1-N 2.95Å; D319-E328 PolarHBondContact N-OE1 3.07Å
320R96.2Very high97.1Very high215 Ų21558.6 Ų58.681%0.81129%0.291SS*.  trans62.534.7175.6-55.7-178.4178.2179.9-1.2112.4D317 C322D317-R320 WeakPolarHBondContact OD1-CA 3.45Å; D317-R320 PolarHBondContact OD1-N 2.94Å; R320-C322 VanDerWaalsContact C-N 3.28Å
321D96.9Very high97Very high65 Ų6557.8 Ų57.835%0.34829%0.289SS..SBendtrans-86.71.2178.188.1-17.3000113.2D317 D319 A323D317-D321 PolarHBondContact OD1-N 3.26Å; D317-D321 VanDerWaalsContact OD1-N 3.14Å; D319-D321 VanDerWaalsContact C-N 3.29Å; D319-D321 PolarHBondContact O-N 3.43Å; D319-D321 WeakPolarHBondContact OD1-CB 3.38Å; D319-D321 VanDerWaalsContact OD1-CG 3.31Å; D319-D321 PolarHBondContact OD1-N 2.95Å; D321-A323 PolarHBondContact O-N 3.29Å; D321-A323 VanDerWaalsContact OD1-CA 3.27Å; D321-A323 WeakPolarHBondContact OD1-CA 3.44Å; D321-A323 WeakPolarHBondContact OD1-CB 3.47Å; D321-A323 PolarHBondContact OD1-N 3.48Å; D321-A323 VanDerWaalsContact OD1-O 3.1Å
322C97.8Very high97Very high79 Ų7954.9 Ų54.953%0.53427%0.268SS..SBendtrans61.727.2-174.7-60.10000113.2D317 R320 T358 Y359D317-C322 VanDerWaalsContact OD2-CA 3.26Å; D317-C322 WeakPolarHBondContact OD2-CA 3.29Å; D317-C322 PolarHBondContact OD2-N 2.91Å; R320-C322 VanDerWaalsContact C-N 3.28Å; C322-T358 CarbonylContact O-C 3.57Å; C322-T358 WeakPolarHBondContact O-CA 3.41Å; C322-Y359 PolarHBondContact O-N 2.83Å
323A98Very high97Very high1 Ų154.8 Ų54.81%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-137.5167.2169.700000111.2D321 N352 W356 I357D321-A323 PolarHBondContact O-N 3.29Å; D321-A323 VanDerWaalsContact OD1-CA 3.27Å; D321-A323 WeakPolarHBondContact OD1-CA 3.44Å; D321-A323 WeakPolarHBondContact OD1-CB 3.47Å; D321-A323 PolarHBondContact OD1-N 3.48Å; D321-A323 VanDerWaalsContact OD1-O 3.1Å; A323-N352 HydrophobicContact CB-CB 4.46Å; A323-W356 HydrophobicContact CB-CB 4.06Å; A323-I357 CarbonylContact C-O 3.59Å; A323-I357 VanDerWaalsContact CA-O 3.23Å; A323-I357 WeakPolarHBondContact CA-O 3.47Å
324L98.1Very high96.8Very high3 Ų359.1 Ų59.12%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-111.3109.7173.7-65.7171.5000108.7F313 H316 D317 E328 L329 L332 W356 I357 Y362F313-L324 HydrophobicContact CD2-CD1 3.78Å; F313-L324 HydrophobicContact CD2-CD2 4.26Å; F313-L324 HydrophobicContact CD2-CG 3.9Å; F313-L324 HydrophobicContact CE2-CD1 3.81Å; F313-L324 HydrophobicContact CE2-CD2 4.09Å; F313-L324 HydrophobicContact CE2-CG 3.5Å; F313-L324 VanDerWaalsContact CE2-CG 3.5Å; F313-L324 HydrophobicContact CZ-CD2 4.42Å; F313-L324 HydrophobicContact CZ-CG 4.12Å; H316-L324 HydrophobicContact CB-CD2 4.15Å; D317-L324 HydrophobicContact CB-CD2 4.49Å; L324-E328 HydrophobicContact CD2-CB 4.1Å; L324-L329 HydrophobicContact CB-CD1 4.43Å; L324-L329 HydrophobicContact CD1-CD1 4Å; L324-L332 HydrophobicContact CD1-CD1 3.95Å; L324-W356 WeakPolarHBondContact O-CB 3.26Å; L324-I357 PolarHBondContact N-O 3.43Å; L324-Y362 HydrophobicContact CD1-CD2 3.73Å; L324-Y362 HydrophobicContact CD1-CE2 4.25Å; L324-Y362 HydrophobicContact CD1-CG 4.47Å
325S97.4Very high96.8Very high11 Ų1155.2 Ų55.28%0.07727%0.27CS..  trans-60.9162.5168.569.20000111.2D327 E328 L329S325-D327 PolarHBondContact O-N 3.25Å; S325-D327 VanDerWaalsContact O-N 3.16Å; S325-E328 VanDerWaalsContact CB-OE2 3.27Å; S325-E328 WeakPolarHBondContact CB-OE2 3.41Å; S325-E328 PolarHBondContact N-OE2 3.32Å; S325-E328 PolarHBondContact O-N 2.79Å; S325-E328 VanDerWaalsContact OG-CD 3.28Å; S325-E328 VanDerWaalsContact OG-CG 3.27Å; S325-E328 WeakPolarHBondContact OG-CG 3.41Å; S325-E328 PolarHBondContact OG-N 2.86Å; S325-E328 PolarHBondContact OG-OE2 2.92Å; S325-L329 WeakPolarHBondContact O-CB 3.45Å; S325-L329 PolarHBondContact O-N 3.29Å
326P96.6Very high97Very high75 Ų7554.2 Ų54.249%0.48727%0.266SS..Hα-helixtrans-57-29.5175.5-26.635.4000113.7R330P326-R330 VanDerWaalsContact O-CG 3.26Å; P326-R330 WeakPolarHBondContact O-CG 3.44Å; P326-R330 PolarHBondContact O-N 2.8Å
327D97Very high96.9Very high101 Ų10157.2 Ų57.254%0.5429%0.286SS..Hα-helixtrans-76.2-43.1179.6-67.3-21.3000111.4S325 R330 D331S325-D327 PolarHBondContact O-N 3.25Å; S325-D327 VanDerWaalsContact O-N 3.16Å; D327-R330 PolarHBondContact O-N 3.1Å; D327-R330 IonicContact OD1-CZ 3.75Å; D327-R330 IonicContact OD1-NE 3.48Å; D327-R330 IonicContact OD1-NH2 2.9Å; D327-R330 PolarHBondContact OD1-NH2 3.44Å; D327-D331 PolarHBondContact O-N 3.15Å
328E97.6Very high96.8Very high12 Ų1261.4 Ų61.46%0.05630%0.302CS..Hα-helixtrans-67.4-37.1175.5-67.9164.6142.900112.1H316 K318 D319 L324 S325 R330 D331 L332H316-E328 WeakPolarHBondContact O-CB 3.32Å; H316-E328 WeakPolarHBondContact O-CG 3.41Å; K318-E328 PolarHBondContact N-OE1 3.32Å; D319-E328 PolarHBondContact N-OE1 3.07Å; L324-E328 HydrophobicContact CD2-CB 4.1Å; S325-E328 VanDerWaalsContact CB-OE2 3.27Å; S325-E328 WeakPolarHBondContact CB-OE2 3.41Å; S325-E328 PolarHBondContact N-OE2 3.32Å; S325-E328 PolarHBondContact O-N 2.79Å; S325-E328 VanDerWaalsContact OG-CD 3.28Å; S325-E328 VanDerWaalsContact OG-CG 3.27Å; S325-E328 WeakPolarHBondContact OG-CG 3.41Å; S325-E328 PolarHBondContact OG-N 2.86Å; S325-E328 PolarHBondContact OG-OE2 2.92Å; E328-R330 VanDerWaalsContact C-N 3.32Å; E328-R330 PolarHBondContact O-N 3.12Å; E328-D331 WeakPolarHBondContact O-CB 3.32Å; E328-D331 PolarHBondContact O-N 3.38Å; E328-L332 WeakPolarHBondContact O-CB 3.37Å; E328-L332 PolarHBondContact O-N 2.85Å
329L96.4Very high96.8Very high21 Ų2160.4 Ų60.411%0.1130%0.3CS..Hα-helixtrans-65.5-37.2175-16568.3000111.7L324 S325 F333 W341 I357L324-L329 HydrophobicContact CB-CD1 4.43Å; L324-L329 HydrophobicContact CD1-CD1 4Å; S325-L329 WeakPolarHBondContact O-CB 3.45Å; S325-L329 PolarHBondContact O-N 3.29Å; L329-F333 HydrophobicContact CD1-CD2 4.07Å; L329-F333 HydrophobicContact CD1-CE2 3.45Å; L329-F333 VanDerWaalsContact CD1-CE2 3.45Å; L329-F333 HydrophobicContact CD1-CZ 4.07Å; L329-F333 HydrophobicContact CD2-CE2 4.26Å; L329-F333 HydrophobicContact CG-CD2 3.87Å; L329-F333 HydrophobicContact CG-CE2 3.64Å; L329-F333 VanDerWaalsContact O-CD2 3.25Å; L329-F333 WeakPolarHBondContact O-CD2 3.42Å; L329-F333 PolarHBondContact O-N 3.28Å; L329-F333 VanDerWaalsContact O-N 3.09Å; L329-W341 HydrophobicContact CD1-CE3 3.92Å; L329-W341 HydrophobicContact CD1-CZ3 3.9Å; L329-W341 HydrophobicContact CD2-CE3 4.48Å; L329-I357 HydrophobicContact CD2-CD1 4.3Å
330R96.8Very high96.9Very high151 Ų15156.9 Ų56.957%0.5728%0.282SS*.Hα-helixtrans-66.7-39.6172.2-76.1-174.4-55.1-173.311.3111.8P326 D327 E328 F333 D334 M339P326-R330 VanDerWaalsContact O-CG 3.26Å; P326-R330 WeakPolarHBondContact O-CG 3.44Å; P326-R330 PolarHBondContact O-N 2.8Å; D327-R330 PolarHBondContact O-N 3.1Å; D327-R330 IonicContact OD1-CZ 3.75Å; D327-R330 IonicContact OD1-NE 3.48Å; D327-R330 IonicContact OD1-NH2 2.9Å; D327-R330 PolarHBondContact OD1-NH2 3.44Å; E328-R330 VanDerWaalsContact C-N 3.32Å; E328-R330 PolarHBondContact O-N 3.12Å; R330-F333 PolarHBondContact O-N 3.46Å; R330-D334 PolarHBondContact O-N 2.89Å; R330-M339 HydrophobicContact CG-CE 4.08Å
331D96.3Very high96.9Very high35 Ų3547.3 Ų47.319%0.18725%0.246CC..Hα-helixtrans-62.9-45175.7-172.652.4000111.8N200 H316 K318 D327 E328 F333 D334N200-D331 PolarHBondContact ND2-OD2 2.91Å; H316-D331 IonicContact CE1-OD2 2.62Å; H316-D331 IonicContact ND1-OD2 3.94Å; H316-D331 PolarHBondContact ND1-OD2 3.45Å; K318-D331 WeakPolarHBondContact CE-OD2 3.36Å; K318-D331 IonicContact NZ-OD1 3.62Å; K318-D331 IonicContact NZ-OD2 3.59Å; K318-D331 PolarHBondContact NZ-OD2 2.83Å; D327-D331 PolarHBondContact O-N 3.15Å; E328-D331 WeakPolarHBondContact O-CB 3.32Å; E328-D331 PolarHBondContact O-N 3.38Å; D331-F333 PolarHBondContact O-N 3.13Å; D331-D334 WeakPolarHBondContact O-CB 3.37Å; D331-D334 PolarHBondContact O-N 3.47Å
332L97.5Very high96.7Very high0 Ų045.6 Ų45.60%024%0.244CC..Hα-helixtrans-58.9-45.3176.1-171.6160.4000111.7V312 H316 L324 E328 D334 Y362 L384V312-L332 HydrophobicContact CG1-CD1 4.08Å; V312-L332 HydrophobicContact CG1-CG 4.16Å; H316-L332 HydrophobicContact CB-CB 4.18Å; H316-L332 HydrophobicContact CB-CD1 4.27Å; L324-L332 HydrophobicContact CD1-CD1 3.95Å; E328-L332 WeakPolarHBondContact O-CB 3.37Å; E328-L332 PolarHBondContact O-N 2.85Å; L332-D334 VanDerWaalsContact C-N 3.31Å; L332-D334 PolarHBondContact O-N 3.49Å; L332-Y362 HydrophobicContact CD1-CE2 3.79Å; L332-L384 HydrophobicContact CD2-CD2 4.41Å
333F97.7Very high96.3Very high8 Ų845 Ų454%0.03524%0.239CC..G310 helixtrans-86.56.8-179.2-63-45.5000114.6L329 R330 D331 V335 F336 M339 P340 W341L329-F333 HydrophobicContact CD1-CD2 4.07Å; L329-F333 HydrophobicContact CD1-CE2 3.45Å; L329-F333 VanDerWaalsContact CD1-CE2 3.45Å; L329-F333 HydrophobicContact CD1-CZ 4.07Å; L329-F333 HydrophobicContact CD2-CE2 4.26Å; L329-F333 HydrophobicContact CG-CD2 3.87Å; L329-F333 HydrophobicContact CG-CE2 3.64Å; L329-F333 VanDerWaalsContact O-CD2 3.25Å; L329-F333 WeakPolarHBondContact O-CD2 3.42Å; L329-F333 PolarHBondContact O-N 3.28Å; L329-F333 VanDerWaalsContact O-N 3.09Å; R330-F333 PolarHBondContact O-N 3.46Å; D331-F333 PolarHBondContact O-N 3.13Å; F333-V335 PolarHBondContact O-N 3.31Å; F333-F336 HydrophobicContact CB-CB 4.5Å; F333-F336 HydrophobicContact CB-CD2 4.27Å; F333-F336 HydrophobicContact CB-CG 4.45Å; F333-F336 HydrophobicContact CD1-CD1 4.32Å; F333-F336 AromaticContact CD1-CD2 3.7Å; F333-F336 HydrophobicContact CD1-CD2 3.7Å; F333-F336 HydrophobicContact CD1-CE1 4.23Å; F333-F336 AromaticContact CD1-CE2 3.61Å; F333-F336 HydrophobicContact CD1-CE2 3.61Å; F333-F336 HydrophobicContact CD1-CG 4.09Å; F333-F336 AromaticContact CD1-CZ 3.9Å; F333-F336 HydrophobicContact CD1-CZ 3.9Å; F333-F336 HydrophobicContact CE1-CE1 4.41Å; F333-F336 HydrophobicContact CE1-CE2 4.16Å; F333-F336 HydrophobicContact CE1-CZ 4.05Å; F333-F336 HydrophobicContact CG-CD2 4.46Å; F333-F336 VanDerWaalsContact O-CB 3.28Å; F333-F336 WeakPolarHBondContact O-CB 3.34Å; F333-F336 PolarHBondContact O-N 3.19Å; F333-M339 HydrophobicContact CD2-CE 4.25Å; F333-M339 HydrophobicContact CD2-SD 3.53Å; F333-M339 VanDerWaalsContact CD2-SD 3.53Å; F333-M339 HydrophobicContact CE2-SD 4.15Å; F333-M339 HydrophobicContact CG-SD 4.37Å; F333-P340 HydrophobicContact CD1-CG 3.38Å; F333-P340 HydrophobicContact CD2-CG 3.87Å; F333-P340 HydrophobicContact CE1-CG 3.34Å; F333-P340 HydrophobicContact CE2-CG 3.81Å; F333-P340 HydrophobicContact CG-CG 3.68Å; F333-P340 HydrophobicContact CZ-CG 3.57Å; F333-W341 HydrophobicContact CE2-CB 4.21Å; F333-W341 AromaticContact CE2-CD2 3.81Å; F333-W341 HydrophobicContact CE2-CD2 3.81Å; F333-W341 AromaticContact CE2-CE3 3.78Å; F333-W341 HydrophobicContact CE2-CE3 3.78Å; F333-W341 HydrophobicContact CE2-CG 4.02Å; F333-W341 HydrophobicContact CE2-CZ3 4.42Å; F333-W341 AromaticContact CZ-CD2 3.48Å; F333-W341 HydrophobicContact CZ-CD2 3.48Å; F333-W341 VanDerWaalsContact CZ-CD2 3.48Å; F333-W341 AromaticContact CZ-CE2 3.67Å; F333-W341 AromaticContact CZ-CE3 3.66Å; F333-W341 HydrophobicContact CZ-CE3 3.66Å; F333-W341 AromaticContact CZ-CG 3.92Å; F333-W341 HydrophobicContact CZ-CG 3.92Å; F333-W341 HydrophobicContact CZ-CH2 4.22Å; F333-W341 HydrophobicContact CZ-CZ2 4.04Å; F333-W341 HydrophobicContact CZ-CZ3 4.03Å
334D95.9Very high96.2Very high92 Ų9247.8 Ų47.849%0.49225%0.254SS..G310 helixtrans-66.6-21.9176.4-166.170.5000112.7K194 R330 D331 L332 F336K194-D334 VanDerWaalsContact CE-OD2 3.22Å; K194-D334 WeakPolarHBondContact CE-OD2 3.37Å; K194-D334 VanDerWaalsContact NZ-CG 3.34Å; K194-D334 IonicContact NZ-OD2 3.81Å; K194-D334 PolarHBondContact NZ-OD2 2.59Å; R330-D334 PolarHBondContact O-N 2.89Å; D331-D334 WeakPolarHBondContact O-CB 3.37Å; D331-D334 PolarHBondContact O-N 3.47Å; L332-D334 VanDerWaalsContact C-N 3.31Å; L332-D334 PolarHBondContact O-N 3.49Å; D334-F336 PolarHBondContact O-N 2.68Å
335V97Very high96.2Very high16 Ų1647.8 Ų47.810%0.09725%0.254CS..G310 helixtrans-79.6-1.8171.5-58.70000113.5R191 K194 V195 F333 L384R191-V335 VanDerWaalsContact CD-O 3.31Å; R191-V335 WeakPolarHBondContact CD-O 3.45Å; R191-V335 HydrophobicContact CG-CB 4.1Å; R191-V335 HydrophobicContact CG-CG1 4.31Å; R191-V335 PolarHBondContact NE-O 2.71Å; K194-V335 HydrophobicContact CB-CG1 3.71Å; K194-V335 HydrophobicContact CD-CG1 4.27Å; V195-V335 HydrophobicContact CG2-CG1 4.25Å; F333-V335 PolarHBondContact O-N 3.31Å; V335-L384 HydrophobicContact CG2-CD2 4.02Å
336F97.8Very high96.2Very high17 Ų1749.7 Ų49.78%0.07526%0.263CS..SBendtrans-97.1148.8177.7-71.9-122.6000110.5F333 D334 Y338 P340 Y380 Y383 L384F333-F336 HydrophobicContact CB-CB 4.5Å; F333-F336 HydrophobicContact CB-CD2 4.27Å; F333-F336 HydrophobicContact CB-CG 4.45Å; F333-F336 HydrophobicContact CD1-CD1 4.32Å; F333-F336 AromaticContact CD1-CD2 3.7Å; F333-F336 HydrophobicContact CD1-CD2 3.7Å; F333-F336 HydrophobicContact CD1-CE1 4.23Å; F333-F336 AromaticContact CD1-CE2 3.61Å; F333-F336 HydrophobicContact CD1-CE2 3.61Å; F333-F336 HydrophobicContact CD1-CG 4.09Å; F333-F336 AromaticContact CD1-CZ 3.9Å; F333-F336 HydrophobicContact CD1-CZ 3.9Å; F333-F336 HydrophobicContact CE1-CE1 4.41Å; F333-F336 HydrophobicContact CE1-CE2 4.16Å; F333-F336 HydrophobicContact CE1-CZ 4.05Å; F333-F336 HydrophobicContact CG-CD2 4.46Å; F333-F336 VanDerWaalsContact O-CB 3.28Å; F333-F336 WeakPolarHBondContact O-CB 3.34Å; F333-F336 PolarHBondContact O-N 3.19Å; D334-F336 PolarHBondContact O-N 2.68Å; F336-Y338 VanDerWaalsContact CB-O 3.23Å; F336-Y338 WeakPolarHBondContact CB-O 3.47Å; F336-Y338 PolarHBondContact O-N 2.79Å; F336-P340 HydrophobicContact CD1-CB 3.98Å; F336-P340 HydrophobicContact CD1-CG 3.73Å; F336-P340 HydrophobicContact CE1-CB 4.07Å; F336-P340 HydrophobicContact CE1-CG 3.84Å; F336-P340 HydrophobicContact CG-CG 4.38Å; F336-Y380 HydrophobicContact CD1-CD1 4.28Å; F336-Y380 AromaticContact CE1-CD1 3.63Å; F336-Y380 HydrophobicContact CE1-CD1 3.63Å; F336-Y380 HydrophobicContact CE1-CD2 4.42Å; F336-Y380 HydrophobicContact CE1-CE1 4.28Å; F336-Y380 AromaticContact CE1-CG 3.71Å; F336-Y380 HydrophobicContact CE1-CG 3.71Å; F336-Y380 HydrophobicContact CZ-CG 4.4Å; F336-Y383 AromaticContact CD1-CD2 3.44Å; F336-Y383 HydrophobicContact CD1-CD2 3.44Å; F336-Y383 VanDerWaalsContact CD1-CD2 3.44Å; F336-Y383 HydrophobicContact CD1-CE2 4.26Å; F336-Y383 HydrophobicContact CD1-CG 4.16Å; F336-Y383 AromaticContact CE1-CD2 3.73Å; F336-Y383 HydrophobicContact CE1-CD2 3.73Å; F336-Y383 HydrophobicContact CE1-CG 4.39Å; F336-Y383 HydrophobicContact CG-CD2 4.02Å; F336-Y383 HydrophobicContact CG-CG 4.35Å; F336-Y383 HydrophobicContact CZ-CD2 4.49Å; F336-L384 HydrophobicContact CE2-CD2 3.69Å; F336-L384 HydrophobicContact CE2-CG 3.82Å; F336-L384 HydrophobicContact CZ-CD2 4.31Å; F336-L384 HydrophobicContact CZ-CG 3.98Å
337P95.9Very high96.2Very high75 Ų7546.8 Ų46.849%0.48724%0.244SC..SBendtrans-72.7-14.1174.724.9-27000113.6Y383P337-Y383 VanDerWaalsContact CD-CZ 3.5Å; P337-Y383 HydrophobicContact CG-CE1 3.82Å; P337-Y383 HydrophobicContact CG-CE2 3.87Å; P337-Y383 VanDerWaalsContact CG-CZ 3.43Å; P337-Y383 WeakPolarHBondContact CG-OH 3.47Å
338Y95.4Very high96.3Very high100 Ų10042.2 Ų42.239%0.39222%0.219SC..SBendtrans-152.2166.6179.857.2-92.2000110.5F336 P340 E379 Y380 Y383F336-Y338 VanDerWaalsContact CB-O 3.23Å; F336-Y338 WeakPolarHBondContact CB-O 3.47Å; F336-Y338 PolarHBondContact O-N 2.79Å; Y338-P340 HydrophobicContact CE2-CB 4.24Å; Y338-P340 WeakPolarHBondContact O-CD 3.43Å; Y338-E379 PolarHBondContact OH-OE1 3.34Å; Y338-Y380 HydrophobicContact CE2-CE1 4.27Å; Y338-Y380 WeakPolarHBondContact OH-CE1 3.25Å; Y338-Y383 HydrophobicContact CE1-CE2 4.18Å
339M95.6Very high96.3Very high100 Ų10041.6 Ų41.649%0.49322%0.216SC..  trans-73.3109.1171.9177.657.866.300109.6R330 F333 W341R330-M339 HydrophobicContact CG-CE 4.08Å; F333-M339 HydrophobicContact CD2-CE 4.25Å; F333-M339 HydrophobicContact CD2-SD 3.53Å; F333-M339 VanDerWaalsContact CD2-SD 3.53Å; F333-M339 HydrophobicContact CE2-SD 4.15Å; F333-M339 HydrophobicContact CG-SD 4.37Å; M339-W341 VanDerWaalsContact C-N 3.35Å; M339-W341 WeakPolarHBondContact CG-O 3.34Å; M339-W341 PolarHBondContact O-N 3.06Å
340P96.5Very high96.3Very high17 Ų1741.4 Ų41.411%0.1122%0.217CC..  trans-76.1-24.4-17230.6-35.1000113.1F333 F336 Y338 Y380F333-P340 HydrophobicContact CD1-CG 3.38Å; F333-P340 HydrophobicContact CD2-CG 3.87Å; F333-P340 HydrophobicContact CE1-CG 3.34Å; F333-P340 HydrophobicContact CE2-CG 3.81Å; F333-P340 HydrophobicContact CG-CG 3.68Å; F333-P340 HydrophobicContact CZ-CG 3.57Å; F336-P340 HydrophobicContact CD1-CB 3.98Å; F336-P340 HydrophobicContact CD1-CG 3.73Å; F336-P340 HydrophobicContact CE1-CB 4.07Å; F336-P340 HydrophobicContact CE1-CG 3.84Å; F336-P340 HydrophobicContact CG-CG 4.38Å; Y338-P340 HydrophobicContact CE2-CB 4.24Å; Y338-P340 WeakPolarHBondContact O-CD 3.43Å; P340-Y380 HydrophobicContact CB-CD1 4.44Å; P340-Y380 HydrophobicContact CB-CD2 4.38Å; P340-Y380 HydrophobicContact CB-CE1 3.76Å; P340-Y380 HydrophobicContact CB-CE2 3.7Å; P340-Y380 WeakPolarHBondContact CB-OH 3.31Å; P340-Y380 PolarHBondContact O-OH 3.1Å
341W96.6Very high96.4Very high14 Ų1435.2 Ų35.25%0.05320%0.195CC..SBendtrans-106.7119.7-175.4-69.9-1.2000110.6L329 F333 M339 V345 I357 Y362 Q365 W366L329-W341 HydrophobicContact CD1-CE3 3.92Å; L329-W341 HydrophobicContact CD1-CZ3 3.9Å; L329-W341 HydrophobicContact CD2-CE3 4.48Å; F333-W341 HydrophobicContact CE2-CB 4.21Å; F333-W341 AromaticContact CE2-CD2 3.81Å; F333-W341 HydrophobicContact CE2-CD2 3.81Å; F333-W341 AromaticContact CE2-CE3 3.78Å; F333-W341 HydrophobicContact CE2-CE3 3.78Å; F333-W341 HydrophobicContact CE2-CG 4.02Å; F333-W341 HydrophobicContact CE2-CZ3 4.42Å; F333-W341 AromaticContact CZ-CD2 3.48Å; F333-W341 HydrophobicContact CZ-CD2 3.48Å; F333-W341 VanDerWaalsContact CZ-CD2 3.48Å; F333-W341 AromaticContact CZ-CE2 3.67Å; F333-W341 AromaticContact CZ-CE3 3.66Å; F333-W341 HydrophobicContact CZ-CE3 3.66Å; F333-W341 AromaticContact CZ-CG 3.92Å; F333-W341 HydrophobicContact CZ-CG 3.92Å; F333-W341 HydrophobicContact CZ-CH2 4.22Å; F333-W341 HydrophobicContact CZ-CZ2 4.04Å; F333-W341 HydrophobicContact CZ-CZ3 4.03Å; M339-W341 VanDerWaalsContact C-N 3.35Å; M339-W341 WeakPolarHBondContact CG-O 3.34Å; M339-W341 PolarHBondContact O-N 3.06Å; W341-V345 HydrophobicContact CB-CB 4.25Å; W341-V345 HydrophobicContact CB-CG1 4.47Å; W341-V345 HydrophobicContact CB-CG2 3.81Å; W341-V345 HydrophobicContact CD2-CG1 4.15Å; W341-V345 HydrophobicContact CE3-CG1 4.05Å; W341-V345 HydrophobicContact CG-CG1 4.35Å; W341-V345 HydrophobicContact CG-CG2 4.06Å; W341-I357 HydrophobicContact CE3-CD1 3.67Å; W341-I357 HydrophobicContact CZ3-CD1 3.73Å; W341-Y362 AromaticContact CH2-CD2 3.42Å; W341-Y362 HydrophobicContact CH2-CD2 3.42Å; W341-Y362 VanDerWaalsContact CH2-CD2 3.42Å; W341-Y362 AromaticContact CH2-CE2 3.77Å; W341-Y362 HydrophobicContact CH2-CE2 3.77Å; W341-Y362 HydrophobicContact CH2-CG 4.29Å; W341-Y362 HydrophobicContact CZ2-CD2 4.5Å; W341-Y362 AromaticContact CZ3-CD2 3.96Å; W341-Y362 HydrophobicContact CZ3-CD2 3.96Å; W341-Y362 HydrophobicContact CZ3-CE2 4.49Å; W341-Q365 HydrophobicContact CD2-CG 3.97Å; W341-Q365 VanDerWaalsContact CE2-CG 3.44Å; W341-Q365 HydrophobicContact CE3-CG 4.42Å; W341-Q365 HydrophobicContact CH2-CB 4.05Å; W341-Q365 HydrophobicContact CH2-CG 3.94Å; W341-Q365 HydrophobicContact CZ2-CB 3.95Å; W341-Q365 HydrophobicContact CZ2-CG 3.44Å; W341-Q365 VanDerWaalsContact CZ2-CG 3.44Å; W341-Q365 HydrophobicContact CZ3-CG 4.41Å; W341-W366 AromaticContact CZ2-NE1 3.73Å
342G93.4Very high96.3Very high29 Ų2935.1 Ų35.130%0.29920%0.195SC..  trans-71.9168.8171.700000112.2D344 V345G342-D344 VanDerWaalsContact C-OD1 3.24Å; G342-D344 WeakPolarHBondContact CA-OD1 3.39Å; G342-D344 PolarHBondContact O-N 3.45Å; G342-V345 WeakPolarHBondContact O-CB 3.49Å; G342-V345 WeakPolarHBondContact O-CG2 3.31Å; G342-V345 PolarHBondContact O-N 2.95Å; G342-V345 VanDerWaalsContact O-N 3.13Å
343P89.5Confident96Very high66 Ų6642.2 Ų42.243%0.42923%0.233SC..THydrogen-bonded Turntrans-68.6-13.1-179.831.5-37.2000113.3V345 H453P343-V345 VanDerWaalsContact C-N 3.31Å; P343-H453 VanDerWaalsContact CB-CD2 3.47Å; P343-H453 WeakPolarHBondContact CB-CD2 3.42Å
344D95.6Very high95.7Very high60 Ų6048 Ų4832%0.32126%0.26SS..THydrogen-bonded Turntrans-71.1-23.317365.3-55000113G342 N346 N347 T348 H453G342-D344 VanDerWaalsContact C-OD1 3.24Å; G342-D344 WeakPolarHBondContact CA-OD1 3.39Å; G342-D344 PolarHBondContact O-N 3.45Å; D344-N346 VanDerWaalsContact C-N 3.28Å; D344-N346 PolarHBondContact O-N 3.07Å; D344-N347 CarbonylContact O-C 3.1Å; D344-N347 WeakPolarHBondContact O-CA 3.34Å; D344-N347 PolarHBondContact O-N 3.02Å; D344-T348 PolarHBondContact O-N 3.5Å; D344-T348 VanDerWaalsContact O-N 3.1Å; D344-T348 PolarHBondContact O-OG1 3.35Å; D344-H453 WeakPolarHBondContact CA-O 3.4Å
345V97.6Very high95.6Very high4 Ų444.9 Ų44.92%0.02425%0.249CC..G310 helixtrans-60.1-40.9178173.90000110.8W341 G342 P343 N347 T348 V349 I357 Q365W341-V345 HydrophobicContact CB-CB 4.25Å; W341-V345 HydrophobicContact CB-CG1 4.47Å; W341-V345 HydrophobicContact CB-CG2 3.81Å; W341-V345 HydrophobicContact CD2-CG1 4.15Å; W341-V345 HydrophobicContact CE3-CG1 4.05Å; W341-V345 HydrophobicContact CG-CG1 4.35Å; W341-V345 HydrophobicContact CG-CG2 4.06Å; G342-V345 WeakPolarHBondContact O-CB 3.49Å; G342-V345 WeakPolarHBondContact O-CG2 3.31Å; G342-V345 PolarHBondContact O-N 2.95Å; G342-V345 VanDerWaalsContact O-N 3.13Å; P343-V345 VanDerWaalsContact C-N 3.31Å; V345-N347 PolarHBondContact O-N 3.09Å; V345-T348 WeakPolarHBondContact O-CB 3.35Å; V345-T348 PolarHBondContact O-N 3.44Å; V345-V349 HydrophobicContact CG1-CG2 4.41Å; V345-V349 PolarHBondContact O-N 3.35Å; V345-I357 HydrophobicContact CG1-CD1 3.84Å; V345-Q365 HydrophobicContact CG1-CB 4.38Å; V345-Q365 HydrophobicContact CG1-CG 3.75Å
346N96.7Very high95.6Very high50 Ų5047 Ų4727%0.26726%0.256SS..G310 helixtrans-58.3-19.2173.7-63.873.6000112.4D344 T351 G355 R441D344-N346 VanDerWaalsContact C-N 3.28Å; D344-N346 PolarHBondContact O-N 3.07Å; N346-T351 HydrophobicContact CB-CG2 4.39Å; N346-T351 VanDerWaalsContact O-CG2 3.23Å; N346-T351 WeakPolarHBondContact O-CG2 3.29Å; N346-G355 PolarHBondContact ND2-O 3.45Å; N346-R441 PolarHBondContact O-NH2 3.28Å
347N97.5Very high95.7Very high15 Ų1546.3 Ų46.38%0.0825%0.253CS..G310 helixtrans-1075.1174-58.5-55.9000114.4D344 V345 Q436 L439 R441 H453D344-N347 CarbonylContact O-C 3.1Å; D344-N347 WeakPolarHBondContact O-CA 3.34Å; D344-N347 PolarHBondContact O-N 3.02Å; V345-N347 PolarHBondContact O-N 3.09Å; N347-Q436 PolarHBondContact O-NE2 3.03Å; N347-L439 WeakPolarHBondContact O-CD1 3.19Å; N347-R441 VanDerWaalsContact CA-NH1 3.33Å; N347-R441 PolarHBondContact OD1-NH1 3.15Å; N347-H453 VanDerWaalsContact ND2-CB 3.34Å; N347-H453 WeakPolarHBondContact ND2-CB 3.39Å; N347-H453 PolarHBondContact ND2-O 3.12Å
348T98.5Very high95.8Very high4 Ų444.1 Ų44.13%0.02524%0.238CC..THydrogen-bonded Turntrans-98.2-28.6177.1-55.60000111.9D344 V345 L368 S455 Y457 A458 I459D344-T348 PolarHBondContact O-N 3.5Å; D344-T348 VanDerWaalsContact O-N 3.1Å; D344-T348 PolarHBondContact O-OG1 3.35Å; V345-T348 WeakPolarHBondContact O-CB 3.35Å; V345-T348 PolarHBondContact O-N 3.44Å; T348-L368 HydrophobicContact CG2-CD2 3.3Å; T348-S455 WeakPolarHBondContact OG1-CB 3.48Å; T348-S455 PolarHBondContact OG1-OG 3.13Å; T348-Y457 WeakPolarHBondContact CA-O 3.45Å; T348-A458 VanDerWaalsContact O-CA 3.31Å; T348-A458 WeakPolarHBondContact O-CA 3.38Å; T348-I459 PolarHBondContact O-N 3.22Å
349V98.4Very high95.9Very high0 Ų042.5 Ų42.50%023%0.232CC..SBendtrans-127.7172.4-173.9-57.30000112.5V345 T351 I357 G361 Q365 I459V345-V349 HydrophobicContact CG1-CG2 4.41Å; V345-V349 PolarHBondContact O-N 3.35Å; V349-T351 PolarHBondContact O-N 2.99Å; V349-I357 HydrophobicContact CG2-CG1 4.46Å; V349-I357 HydrophobicContact CG2-CG2 4.02Å; V349-G361 WeakPolarHBondContact CB-O 3.29Å; V349-Q365 HydrophobicContact CG1-CB 3.9Å; V349-I459 HydrophobicContact CG1-CG2 3.79Å
350C96.9Very high96Very high17 Ų1740 Ų4012%0.11522%0.219CC..  trans-61.8134.8175.5-69.10000111.7T358 S460C350-T358 PolarHBondContact O-N 3.08Å; C350-T358 PolarHBondContact O-OG1 3.06Å; C350-S460 PolarHBondContact SG-OG 3.46Å
351T97.1Very high96.1Very high20 Ų2039.2 Ų39.212%0.12321%0.214CC..BIsolated β-bridgetrans-130.4156.8175.3580000110.6N346 V349 G355 W356 R441N346-T351 HydrophobicContact CB-CG2 4.39Å; N346-T351 VanDerWaalsContact O-CG2 3.23Å; N346-T351 WeakPolarHBondContact O-CG2 3.29Å; V349-T351 PolarHBondContact O-N 2.99Å; T351-G355 WeakPolarHBondContact CG2-O 3.5Å; T351-W356 CarbonylContact C-O 3.38Å; T351-W356 WeakPolarHBondContact CA-O 3.43Å; T351-W356 WeakPolarHBondContact CB-O 3.15Å; T351-R441 PolarHBondContact OG1-NH2 2.88Å
352N94.8Very high96.2Very high33 Ų3338.6 Ų38.618%0.17621%0.211CC..  trans-73.8-172.7173.273.94000111A323 Q354 G355 W356 T358 R445A323-N352 HydrophobicContact CB-CB 4.46Å; N352-Q354 PolarHBondContact O-N 3.24Å; N352-Q354 WeakPolarHBondContact OD1-CA 3.48Å; N352-Q354 WeakPolarHBondContact OD1-CB 3.25Å; N352-Q354 PolarHBondContact OD1-N 3.11Å; N352-G355 PolarHBondContact O-N 3.03Å; N352-G355 VanDerWaalsContact O-N 3.11Å; N352-G355 PolarHBondContact OD1-N 3.21Å; N352-G355 VanDerWaalsContact OD1-N 3.11Å; N352-W356 PolarHBondContact N-O 3.34Å; N352-W356 WeakPolarHBondContact OD1-CB 3.33Å; N352-W356 PolarHBondContact OD1-N 2.98Å; N352-T358 HydrophobicContact CB-CG2 4.09Å; N352-R445 PolarHBondContact O-NH2 3.49Å; N352-R445 VanDerWaalsContact O-NH2 3.14Å
353D90.9Very high96.5Very high150 Ų15037.5 Ų37.580%0.80220%0.198SC*.THydrogen-bonded Turntrans-67-24-179.3-69.2-32000113.6G355 R445D353-G355 VanDerWaalsContact C-N 3.31Å; D353-R445 IonicContact OD1-NH1 2.66Å
354Q92.7Very high96.9Very high130 Ų13034.3 Ų34.361%0.60718%0.178SC*.THydrogen-bonded Turntrans-85.3-4.9175.7-60.2-176.8-3.900113N352 W356N352-Q354 PolarHBondContact O-N 3.24Å; N352-Q354 WeakPolarHBondContact OD1-CA 3.48Å; N352-Q354 WeakPolarHBondContact OD1-CB 3.25Å; N352-Q354 PolarHBondContact OD1-N 3.11Å; Q354-W356 HydrophobicContact CB-CD2 4.21Å; Q354-W356 HydrophobicContact CB-CG 4.21Å
355G93.8Very high97Very high25 Ų2532.2 Ų32.226%0.25817%0.166SC..SBendtrans84.510.4-177.500000114.1N346 T351 N352 D353N346-G355 PolarHBondContact ND2-O 3.45Å; T351-G355 WeakPolarHBondContact CG2-O 3.5Å; N352-G355 PolarHBondContact O-N 3.03Å; N352-G355 VanDerWaalsContact O-N 3.11Å; N352-G355 PolarHBondContact OD1-N 3.21Å; N352-G355 VanDerWaalsContact OD1-N 3.11Å; D353-G355 VanDerWaalsContact C-N 3.31Å
356W97.3Very high97.1Very high62 Ų6232.1 Ų32.124%0.23517%0.165CC..PPolyproline II helixtrans-79.2145.1176.6-59.1-5.5000110.7A323 L324 T351 N352 Q354 T358A323-W356 HydrophobicContact CB-CB 4.06Å; L324-W356 WeakPolarHBondContact O-CB 3.26Å; T351-W356 CarbonylContact C-O 3.38Å; T351-W356 WeakPolarHBondContact CA-O 3.43Å; T351-W356 WeakPolarHBondContact CB-O 3.15Å; N352-W356 PolarHBondContact N-O 3.34Å; N352-W356 WeakPolarHBondContact OD1-CB 3.33Å; N352-W356 PolarHBondContact OD1-N 2.98Å; Q354-W356 HydrophobicContact CB-CD2 4.21Å; Q354-W356 HydrophobicContact CB-CG 4.21Å; W356-T358 PolarHBondContact O-N 3.34Å
357I98.4Very high97.2Very high2 Ų229.8 Ų29.81%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-70.7119.8-174.9-62.6171.7000108.3A323 L324 L329 W341 V345 V349 Y362A323-I357 CarbonylContact C-O 3.59Å; A323-I357 VanDerWaalsContact CA-O 3.23Å; A323-I357 WeakPolarHBondContact CA-O 3.47Å; L324-I357 PolarHBondContact N-O 3.43Å; L329-I357 HydrophobicContact CD2-CD1 4.3Å; W341-I357 HydrophobicContact CE3-CD1 3.67Å; W341-I357 HydrophobicContact CZ3-CD1 3.73Å; V345-I357 HydrophobicContact CG1-CD1 3.84Å; V349-I357 HydrophobicContact CG2-CG1 4.46Å; V349-I357 HydrophobicContact CG2-CG2 4.02Å; I357-Y362 VanDerWaalsContact CG2-N 3.34Å
358T98.4Very high97.3Very high29 Ų2929.5 Ų29.518%0.17815%0.151CC..EExtended strand (participates in β ladder)trans-74.4165.5178.462.20000111.3C322 C350 N352 W356 Q360 G361 Y362C322-T358 CarbonylContact O-C 3.57Å; C322-T358 WeakPolarHBondContact O-CA 3.41Å; C350-T358 PolarHBondContact O-N 3.08Å; C350-T358 PolarHBondContact O-OG1 3.06Å; N352-T358 HydrophobicContact CB-CG2 4.09Å; W356-T358 PolarHBondContact O-N 3.34Å; T358-Q360 VanDerWaalsContact C-N 3.27Å; T358-Q360 PolarHBondContact O-N 3.05Å; T358-G361 CarbonylContact O-C 3.47Å; T358-G361 WeakPolarHBondContact O-CA 3.42Å; T358-G361 PolarHBondContact O-N 3.35Å; T358-G361 PolarHBondContact OG1-N 3.09Å; T358-Y362 PolarHBondContact O-N 2.75Å
359Y98.4Very high97.3Very high66 Ų6630 Ų3026%0.25915%0.154SC..Hα-helixtrans-46.2-50170174.6-96.5000112.9Q310 F313 C322 G361 Y362 L363Q310-Y359 HydrophobicContact CB-CE2 4.27Å; Q310-Y359 HydrophobicContact CG-CE2 4Å; Q310-Y359 WeakPolarHBondContact CG-OH 3.47Å; Q310-Y359 PolarHBondContact NE2-OH 3.15Å; F313-Y359 HydrophobicContact CB-CD2 4.33Å; F313-Y359 AromaticContact CD1-CD2 3.54Å; F313-Y359 HydrophobicContact CD1-CD2 3.54Å; F313-Y359 HydrophobicContact CD1-CE2 4.35Å; F313-Y359 HydrophobicContact CD1-CG 4.45Å; F313-Y359 HydrophobicContact CD2-CD2 4.34Å; F313-Y359 AromaticContact CE1-CD2 3.87Å; F313-Y359 HydrophobicContact CE1-CD2 3.87Å; F313-Y359 HydrophobicContact CE1-CG 4.39Å; F313-Y359 VanDerWaalsContact CE2-CA 3.4Å; F313-Y359 AromaticContact CG-CD2 3.8Å; F313-Y359 HydrophobicContact CG-CD2 3.8Å; F313-Y359 VanDerWaalsContact CZ-CA 3.49Å; F313-Y359 HydrophobicContact CZ-CD2 4.4Å; C322-Y359 PolarHBondContact O-N 2.83Å; Y359-G361 VanDerWaalsContact C-N 3.32Å; Y359-G361 PolarHBondContact O-N 2.67Å; Y359-Y362 WeakPolarHBondContact O-CB 3.49Å; Y359-Y362 PolarHBondContact O-N 2.95Å; Y359-L363 HydrophobicContact CD1-CD1 4.32Å; Y359-L363 HydrophobicContact CE1-CD1 3.71Å; Y359-L363 HydrophobicContact CE2-CD1 4.45Å; Y359-L363 PolarHBondContact O-N 2.8Å; Y359-L363 VanDerWaalsContact O-N 3.11Å
360Q97.6Very high97.3Very high48 Ų4830 Ų3022%0.22415%0.154CC..Hα-helixtrans-65.6-37.1177.5-174.257.829.300111.9T358 S364 T461 Y470T358-Q360 VanDerWaalsContact C-N 3.27Å; T358-Q360 PolarHBondContact O-N 3.05Å; Q360-S364 VanDerWaalsContact O-CB 3.31Å; Q360-S364 WeakPolarHBondContact O-CB 3.12Å; Q360-S364 PolarHBondContact O-N 2.96Å; Q360-S364 PolarHBondContact O-OG 3.34Å; Q360-T461 PolarHBondContact NE2-OG1 2.94Å; Q360-Y470 PolarHBondContact NE2-OH 3.2Å
361G98.3Very high97.3Very high0 Ų030.8 Ų30.80%016%0.155CC..Hα-helixtrans-63.5-43.1175.500000112.5V349 T358 Y359 S364 Q365V349-G361 WeakPolarHBondContact CB-O 3.29Å; T358-G361 CarbonylContact O-C 3.47Å; T358-G361 WeakPolarHBondContact O-CA 3.42Å; T358-G361 PolarHBondContact O-N 3.35Å; T358-G361 PolarHBondContact OG1-N 3.09Å; Y359-G361 VanDerWaalsContact C-N 3.32Å; Y359-G361 PolarHBondContact O-N 2.67Å; G361-S364 WeakPolarHBondContact O-CB 3.4Å; G361-S364 PolarHBondContact O-N 3.39Å; G361-Q365 PolarHBondContact O-N 2.98Å
362Y98.7Very high97.3Very high0 Ų033.1 Ų33.10%017%0.166CC..Hα-helixtrans-58.5-52.2176.5171.9-92.3000111L309 F313 L324 L332 W341 I357 T358 Y359 S364 Q365 W366L309-Y362 HydrophobicContact CB-CE1 4.04Å; L309-Y362 VanDerWaalsContact O-CE1 3.26Å; L309-Y362 WeakPolarHBondContact O-CE1 3.09Å; F313-Y362 HydrophobicContact CB-CD1 3.99Å; F313-Y362 HydrophobicContact CB-CE1 3.96Å; F313-Y362 AromaticContact CD2-CD1 3.79Å; F313-Y362 HydrophobicContact CD2-CD1 3.79Å; F313-Y362 HydrophobicContact CD2-CD2 4.06Å; F313-Y362 HydrophobicContact CD2-CE1 4.47Å; F313-Y362 AromaticContact CD2-CG 3.59Å; F313-Y362 HydrophobicContact CD2-CG 3.59Å; F313-Y362 HydrophobicContact CE2-CG 4.32Å; F313-Y362 HydrophobicContact CG-CD1 4.33Å; L324-Y362 HydrophobicContact CD1-CD2 3.73Å; L324-Y362 HydrophobicContact CD1-CE2 4.25Å; L324-Y362 HydrophobicContact CD1-CG 4.47Å; L332-Y362 HydrophobicContact CD1-CE2 3.79Å; W341-Y362 AromaticContact CH2-CD2 3.42Å; W341-Y362 HydrophobicContact CH2-CD2 3.42Å; W341-Y362 VanDerWaalsContact CH2-CD2 3.42Å; W341-Y362 AromaticContact CH2-CE2 3.77Å; W341-Y362 HydrophobicContact CH2-CE2 3.77Å; W341-Y362 HydrophobicContact CH2-CG 4.29Å; W341-Y362 HydrophobicContact CZ2-CD2 4.5Å; W341-Y362 AromaticContact CZ3-CD2 3.96Å; W341-Y362 HydrophobicContact CZ3-CD2 3.96Å; W341-Y362 HydrophobicContact CZ3-CE2 4.49Å; I357-Y362 VanDerWaalsContact CG2-N 3.34Å; T358-Y362 PolarHBondContact O-N 2.75Å; Y359-Y362 WeakPolarHBondContact O-CB 3.49Å; Y359-Y362 PolarHBondContact O-N 2.95Å; Y362-S364 VanDerWaalsContact C-N 3.27Å; Y362-S364 PolarHBondContact O-N 3.11Å; Y362-Q365 PolarHBondContact O-N 2.73Å; Y362-Q365 VanDerWaalsContact O-N 3.15Å; Y362-W366 AromaticContact CE1-CD1 3.67Å; Y362-W366 AromaticContact CE1-NE1 3.73Å; Y362-W366 AromaticContact CE2-CD1 3.89Å; Y362-W366 AromaticContact CE2-NE1 3.37Å; Y362-W366 AromaticContact CZ-CD1 3.6Å; Y362-W366 AromaticContact CZ-NE1 3.14Å; Y362-W366 VanDerWaalsContact O-CD1 3.3Å; Y362-W366 PolarHBondContact O-N 3.07Å; Y362-W366 VanDerWaalsContact O-N 3.16Å; Y362-W366 PolarHBondContact OH-NE1 2.98Å
363L98.7Very high97.5Very high6 Ų633.9 Ų33.93%0.03117%0.17CC..Hα-helixtrans-63.6-34.2176.7-62.1-177.4000112.3Y306 L309 Q310 Y359 T367Y306-L363 HydrophobicContact CD1-CD2 4.27Å; Y306-L363 HydrophobicContact CE1-CB 4.49Å; L309-L363 HydrophobicContact CB-CD2 4.07Å; Q310-L363 HydrophobicContact CG-CD1 4.09Å; Q310-L363 HydrophobicContact CG-CD2 4.09Å; Y359-L363 HydrophobicContact CD1-CD1 4.32Å; Y359-L363 HydrophobicContact CE1-CD1 3.71Å; Y359-L363 HydrophobicContact CE2-CD1 4.45Å; Y359-L363 PolarHBondContact O-N 2.8Å; Y359-L363 VanDerWaalsContact O-N 3.11Å; L363-T367 WeakPolarHBondContact O-CB 3.37Å; L363-T367 PolarHBondContact O-N 3.03Å; L363-T367 PolarHBondContact O-OG1 3.46Å
364S98.7Very high97.8Very high0 Ų027.5 Ų27.50%014%0.137CC..Hα-helixtrans-65.6-39.1175.6-57.50000111.6Q360 G361 Y362 T367 L368Q360-S364 VanDerWaalsContact O-CB 3.31Å; Q360-S364 WeakPolarHBondContact O-CB 3.12Å; Q360-S364 PolarHBondContact O-N 2.96Å; Q360-S364 PolarHBondContact O-OG 3.34Å; G361-S364 WeakPolarHBondContact O-CB 3.4Å; G361-S364 PolarHBondContact O-N 3.39Å; Y362-S364 VanDerWaalsContact C-N 3.27Å; Y362-S364 PolarHBondContact O-N 3.11Å; S364-T367 WeakPolarHBondContact O-CB 3.46Å; S364-T367 PolarHBondContact O-N 2.82Å; S364-L368 WeakPolarHBondContact O-CB 3.48Å; S364-L368 PolarHBondContact O-N 2.95Å
365Q98.7Very high98.1Very high16 Ų1627.6 Ų27.68%0.07514%0.137CC..Hα-helixtrans-66.5-41.1178.2-178.857.815.700111.9W341 V345 V349 G361 Y362 L368 T369W341-Q365 HydrophobicContact CD2-CG 3.97Å; W341-Q365 VanDerWaalsContact CE2-CG 3.44Å; W341-Q365 HydrophobicContact CE3-CG 4.42Å; W341-Q365 HydrophobicContact CH2-CB 4.05Å; W341-Q365 HydrophobicContact CH2-CG 3.94Å; W341-Q365 HydrophobicContact CZ2-CB 3.95Å; W341-Q365 HydrophobicContact CZ2-CG 3.44Å; W341-Q365 VanDerWaalsContact CZ2-CG 3.44Å; W341-Q365 HydrophobicContact CZ3-CG 4.41Å; V345-Q365 HydrophobicContact CG1-CB 4.38Å; V345-Q365 HydrophobicContact CG1-CG 3.75Å; V349-Q365 HydrophobicContact CG1-CB 3.9Å; G361-Q365 PolarHBondContact O-N 2.98Å; Y362-Q365 PolarHBondContact O-N 2.73Å; Y362-Q365 VanDerWaalsContact O-N 3.15Å; Q365-L368 PolarHBondContact O-N 3.04Å; Q365-T369 WeakPolarHBondContact O-CB 3.47Å; Q365-T369 PolarHBondContact O-N 2.7Å; Q365-T369 PolarHBondContact O-OG1 3.4Å
366W98.8Very high98.3Very high1 Ų132 Ų320%0.00415%0.146CC..Hα-helixtrans-63.6-42.2172.8-81.6103000112.1L301 L309 W341 Y362 L368 T369 T370 Y380 L381 L384L301-W366 HydrophobicContact CD1-CB 3.93Å; L309-W366 HydrophobicContact CD1-CB 3.71Å; L309-W366 HydrophobicContact CD1-CD2 3.77Å; L309-W366 HydrophobicContact CD1-CE3 4.09Å; L309-W366 HydrophobicContact CD1-CG 3.6Å; L309-W366 HydrophobicContact CD2-CD2 3.64Å; L309-W366 VanDerWaalsContact CD2-CE2 3.45Å; L309-W366 HydrophobicContact CD2-CE3 4.05Å; L309-W366 HydrophobicContact CD2-CG 4.08Å; L309-W366 HydrophobicContact CD2-CH2 4.07Å; L309-W366 HydrophobicContact CD2-CZ2 3.71Å; L309-W366 HydrophobicContact CD2-CZ3 4.25Å; L309-W366 HydrophobicContact CG-CD2 4.36Å; L309-W366 HydrophobicContact CG-CG 4.42Å; W341-W366 AromaticContact CZ2-NE1 3.73Å; Y362-W366 AromaticContact CE1-CD1 3.67Å; Y362-W366 AromaticContact CE1-NE1 3.73Å; Y362-W366 AromaticContact CE2-CD1 3.89Å; Y362-W366 AromaticContact CE2-NE1 3.37Å; Y362-W366 AromaticContact CZ-CD1 3.6Å; Y362-W366 AromaticContact CZ-NE1 3.14Å; Y362-W366 VanDerWaalsContact O-CD1 3.3Å; Y362-W366 PolarHBondContact O-N 3.07Å; Y362-W366 VanDerWaalsContact O-N 3.16Å; Y362-W366 PolarHBondContact OH-NE1 2.98Å; W366-L368 VanDerWaalsContact C-N 3.33Å; W366-L368 PolarHBondContact O-N 3.21Å; W366-T369 PolarHBondContact O-N 3.16Å; W366-T370 WeakPolarHBondContact O-CB 3.4Å; W366-T370 PolarHBondContact O-N 3.46Å; W366-T370 PolarHBondContact O-OG1 3Å; W366-Y380 VanDerWaalsContact CH2-CB 3.42Å; W366-Y380 HydrophobicContact CH2-CD2 4.45Å; W366-Y380 HydrophobicContact CH2-CG 4.45Å; W366-L381 HydrophobicContact CH2-CD2 4.24Å; W366-L381 HydrophobicContact CZ3-CD2 3.94Å; W366-L381 HydrophobicContact CZ3-CG 3.98Å; W366-L384 HydrophobicContact CH2-CD1 3.68Å; W366-L384 HydrophobicContact CZ2-CD1 3.51Å
367T98.8Very high98.3Very high2 Ų229.1 Ų29.11%0.01214%0.135CC..Hα-helixtrans-61.6-42.1175.8-55.90000111.4Y306 L363 S364 T370 Y371 V418 I459 Y470Y306-T367 PolarHBondContact OH-OG1 3.46Å; L363-T367 WeakPolarHBondContact O-CB 3.37Å; L363-T367 PolarHBondContact O-N 3.03Å; L363-T367 PolarHBondContact O-OG1 3.46Å; S364-T367 WeakPolarHBondContact O-CB 3.46Å; S364-T367 PolarHBondContact O-N 2.82Å; T367-T370 PolarHBondContact O-N 2.89Å; T367-Y371 WeakPolarHBondContact O-CB 3.47Å; T367-Y371 PolarHBondContact O-N 3.3Å; T367-V418 HydrophobicContact CG2-CG1 4.39Å; T367-V418 HydrophobicContact CG2-CG2 3.51Å; T367-I459 HydrophobicContact CG2-CD1 4.08Å; T367-Y470 HydrophobicContact CG2-CD1 4.14Å; T367-Y470 HydrophobicContact CG2-CD2 4Å; T367-Y470 HydrophobicContact CG2-CE1 4.44Å; T367-Y470 HydrophobicContact CG2-CE2 4.31Å; T367-Y470 HydrophobicContact CG2-CG 3.9Å
368L98.6Very high98.3Very high9 Ų929.1 Ų29.15%0.04714%0.135CC..Hα-helixtrans-62.9-50.8176.6-178.965.5000111.8T348 S364 Q365 W366 T370 Y371 L372 Y457 I459 L472T348-L368 HydrophobicContact CG2-CD2 3.3Å; S364-L368 WeakPolarHBondContact O-CB 3.48Å; S364-L368 PolarHBondContact O-N 2.95Å; Q365-L368 PolarHBondContact O-N 3.04Å; W366-L368 VanDerWaalsContact C-N 3.33Å; W366-L368 PolarHBondContact O-N 3.21Å; L368-T370 VanDerWaalsContact C-N 3.28Å; L368-T370 PolarHBondContact O-N 3.48Å; L368-Y371 PolarHBondContact O-N 3.19Å; L368-Y371 VanDerWaalsContact O-N 3.15Å; L368-L372 HydrophobicContact CD1-CD1 3.52Å; L368-L372 HydrophobicContact CD1-CG 4.02Å; L368-L372 HydrophobicContact CG-CD1 3.93Å; L368-L372 PolarHBondContact O-N 3.22Å; L368-Y457 HydrophobicContact CD1-CD1 4.39Å; L368-I459 HydrophobicContact CB-CD1 4.08Å; L368-I459 HydrophobicContact CB-CG2 3.98Å; L368-I459 HydrophobicContact CD1-CD1 4.46Å; L368-I459 HydrophobicContact CD2-CG2 4.18Å; L368-I459 HydrophobicContact CG-CG2 4.48Å; L368-L472 HydrophobicContact CD1-CD1 3.42Å; L368-L472 VanDerWaalsContact CD1-CD1 3.42Å; L368-L472 HydrophobicContact CD1-CD2 4.35Å; L368-L472 HydrophobicContact CD1-CG 3.63Å
369T98.6Very high98.3Very high13 Ų1328.9 Ų28.98%0.0813%0.132CC..Hα-helixtrans-57.8-45.8178.8-530000109.9Q365 W366 Y371 L372 D373 R376 C377 Y380Q365-T369 WeakPolarHBondContact O-CB 3.47Å; Q365-T369 PolarHBondContact O-N 2.7Å; Q365-T369 PolarHBondContact O-OG1 3.4Å; W366-T369 PolarHBondContact O-N 3.16Å; T369-Y371 VanDerWaalsContact C-N 3.31Å; T369-Y371 PolarHBondContact O-N 2.91Å; T369-L372 PolarHBondContact O-N 3.34Å; T369-D373 CarbonylContact O-C 3.51Å; T369-D373 WeakPolarHBondContact O-CA 3.32Å; T369-D373 PolarHBondContact O-N 3.07Å; T369-R376 HydrophobicContact CG2-CB 4.36Å; T369-R376 HydrophobicContact CG2-CG 4.29Å; T369-C377 HydrophobicContact CG2-CB 4.13Å; T369-Y380 HydrophobicContact CG2-CE2 4.45Å
370T98.7Very high98.4Very high0 Ų026.2 Ų26.20%012%0.122CC..Hα-helixtrans-60.6-38.9178.2-530000112.7T299 L301 W366 T367 L368 C377 I399T299-T370 WeakPolarHBondContact CB-O 3.37Å; T299-T370 PolarHBondContact OG1-O 3.27Å; L301-T370 HydrophobicContact CD2-CG2 4.29Å; L301-T370 HydrophobicContact CG-CG2 4.11Å; L301-T370 WeakPolarHBondContact CG-OG1 3.19Å; W366-T370 WeakPolarHBondContact O-CB 3.4Å; W366-T370 PolarHBondContact O-N 3.46Å; W366-T370 PolarHBondContact O-OG1 3Å; T367-T370 PolarHBondContact O-N 2.89Å; L368-T370 VanDerWaalsContact C-N 3.28Å; L368-T370 PolarHBondContact O-N 3.48Å; T370-C377 PolarHBondContact OG1-SG 2.88Å; T370-I399 HydrophobicContact CG2-CD1 3.93Å
371Y98.3Very high98.4Very high34 Ų3423.9 Ų23.913%0.13311%0.111CC..Hα-helixtrans-75.6-37.2-178-171.1-84.1000112.7T298 T367 L368 T369 V418 R420 L472T298-Y371 HydrophobicContact CG2-CD2 4.43Å; T298-Y371 HydrophobicContact CG2-CE2 3.59Å; T367-Y371 WeakPolarHBondContact O-CB 3.47Å; T367-Y371 PolarHBondContact O-N 3.3Å; L368-Y371 PolarHBondContact O-N 3.19Å; L368-Y371 VanDerWaalsContact O-N 3.15Å; T369-Y371 VanDerWaalsContact C-N 3.31Å; T369-Y371 PolarHBondContact O-N 2.91Å; Y371-V418 HydrophobicContact CD2-CB 3.78Å; Y371-V418 HydrophobicContact CD2-CG1 3.5Å; Y371-V418 HydrophobicContact CE2-CB 4.04Å; Y371-V418 HydrophobicContact CE2-CG1 3.88Å; Y371-V418 HydrophobicContact CG-CG1 4.07Å; Y371-R420 HydrophobicContact CE1-CB 3.95Å; Y371-R420 WeakPolarHBondContact OH-CB 3.3Å; Y371-L472 HydrophobicContact CD1-CD1 3.62Å; Y371-L472 HydrophobicContact CE1-CD1 4.13Å; Y371-L472 HydrophobicContact CG-CD1 4.1Å
372L96.6Very high98.4Very high69 Ų6923.9 Ų23.936%0.36111%0.111SC..Hα-helixtrans-92-41.8-175.2-64.6-179.3000113.5L368 T369 Y457 L472L368-L372 HydrophobicContact CD1-CD1 3.52Å; L368-L372 HydrophobicContact CD1-CG 4.02Å; L368-L372 HydrophobicContact CG-CD1 3.93Å; L368-L372 PolarHBondContact O-N 3.22Å; T369-L372 PolarHBondContact O-N 3.34Å; L372-Y457 HydrophobicContact CD1-CD1 4.04Å; L372-Y457 HydrophobicContact CD1-CE1 3.71Å; L372-Y457 HydrophobicContact CD1-CE2 4.33Å; L372-Y457 HydrophobicContact CD1-CG 4.45Å; L372-Y457 HydrophobicContact CD2-CE1 4.23Å; L372-L472 HydrophobicContact CD2-CD1 4.28Å; L372-L472 HydrophobicContact CG-CD1 4.39Å
373D97.6Very high98.4Very high49 Ų4924.8 Ų24.826%0.26212%0.115SC..  trans-143.680.4-175.6-171.9-12.5000109.8T369 Q375 R376 C377T369-D373 CarbonylContact O-C 3.51Å; T369-D373 WeakPolarHBondContact O-CA 3.32Å; T369-D373 PolarHBondContact O-N 3.07Å; D373-Q375 PolarHBondContact O-N 2.93Å; D373-Q375 PolarHBondContact OD1-N 3.39Å; D373-R376 HydrophobicContact CB-CB 4.11Å; D373-R376 VanDerWaalsContact CG-CB 3.46Å; D373-R376 PolarHBondContact O-N 2.69Å; D373-R376 PolarHBondContact OD1-N 3.07Å; D373-R376 VanDerWaalsContact OD1-N 3.09Å; D373-R376 IonicContact OD2-CZ 2.56Å; D373-R376 VanDerWaalsContact OD2-CZ 3.25Å; D373-R376 IonicContact OD2-NE 2.88Å; D373-R376 PolarHBondContact OD2-NE 2.97Å; D373-R376 IonicContact OD2-NH2 3.76Å; D373-R376 PolarHBondContact OD2-NH2 3.35Å; D373-C377 PolarHBondContact O-N 2.9Å; D373-C377 VanDerWaalsContact O-N 3.11Å
374V98.2Very high98.4Very high16 Ų1625 Ų2510%0.09712%0.116CC..Hα-helixtrans-62.5-28.9-179.863.50000112.9L291 I293 T299 C377 L378 I399L291-V374 HydrophobicContact CD2-CG2 3.71Å; I293-V374 HydrophobicContact CD1-CB 4.41Å; I293-V374 HydrophobicContact CD1-CG1 3.37Å; T299-V374 HydrophobicContact CG2-CB 4.15Å; T299-V374 HydrophobicContact CG2-CG1 4.38Å; T299-V374 HydrophobicContact CG2-CG2 3.94Å; V374-C377 WeakPolarHBondContact O-CB 3.24Å; V374-C377 PolarHBondContact O-N 2.78Å; V374-L378 HydrophobicContact CG2-CD1 4.44Å; V374-L378 HydrophobicContact CG2-CG 4.47Å; V374-L378 VanDerWaalsContact O-CG 3.26Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 2.75Å; V374-I399 HydrophobicContact CG2-CD1 4.48Å; V374-I399 HydrophobicContact CG2-CG1 4.24Å; V374-I399 HydrophobicContact CG2-CG2 4.03Å
375Q98Very high98.3Very high132 Ų13225 Ų2562%0.61712%0.116SC*.Hα-helixtrans-67.1-43.7179-70.7-176.8-5.500110.2D373 C377 L378 E379D373-Q375 PolarHBondContact O-N 2.93Å; D373-Q375 PolarHBondContact OD1-N 3.39Å; Q375-C377 VanDerWaalsContact C-N 3.32Å; Q375-C377 PolarHBondContact O-N 3.19Å; Q375-L378 WeakPolarHBondContact O-CB 3.29Å; Q375-L378 PolarHBondContact O-N 3.41Å; Q375-E379 PolarHBondContact O-N 3.32Å
376R98.3Very high98.3Very high119 Ų11924.4 Ų24.445%0.44911%0.113SC..Hα-helixtrans-62.2-38172-171.5178.3-52.9-177.710.9112.8T369 D373 E379 Y380T369-R376 HydrophobicContact CG2-CB 4.36Å; T369-R376 HydrophobicContact CG2-CG 4.29Å; D373-R376 HydrophobicContact CB-CB 4.11Å; D373-R376 VanDerWaalsContact CG-CB 3.46Å; D373-R376 PolarHBondContact O-N 2.69Å; D373-R376 PolarHBondContact OD1-N 3.07Å; D373-R376 VanDerWaalsContact OD1-N 3.09Å; D373-R376 IonicContact OD2-CZ 2.56Å; D373-R376 VanDerWaalsContact OD2-CZ 3.25Å; D373-R376 IonicContact OD2-NE 2.88Å; D373-R376 PolarHBondContact OD2-NE 2.97Å; D373-R376 IonicContact OD2-NH2 3.76Å; D373-R376 PolarHBondContact OD2-NH2 3.35Å; R376-E379 PolarHBondContact O-N 2.98Å; R376-Y380 WeakPolarHBondContact CD-OH 3.42Å; R376-Y380 HydrophobicContact CG-CD1 4.29Å; R376-Y380 HydrophobicContact CG-CD2 4.34Å; R376-Y380 HydrophobicContact CG-CE1 3.71Å; R376-Y380 HydrophobicContact CG-CE2 3.75Å; R376-Y380 VanDerWaalsContact CG-CZ 3.4Å; R376-Y380 WeakPolarHBondContact O-CD1 3.45Å; R376-Y380 PolarHBondContact O-N 3.05Å
377C98.6Very high98.1Very high0 Ų024.6 Ų24.60%011%0.114CC..Hα-helixtrans-61.3-44.5173.9178.70000112T369 T370 D373 V374 Q375 Y380 L381T369-C377 HydrophobicContact CG2-CB 4.13Å; T370-C377 PolarHBondContact OG1-SG 2.88Å; D373-C377 PolarHBondContact O-N 2.9Å; D373-C377 VanDerWaalsContact O-N 3.11Å; V374-C377 WeakPolarHBondContact O-CB 3.24Å; V374-C377 PolarHBondContact O-N 2.78Å; Q375-C377 VanDerWaalsContact C-N 3.32Å; Q375-C377 PolarHBondContact O-N 3.19Å; C377-Y380 PolarHBondContact O-N 3.37Å; C377-L381 WeakPolarHBondContact O-CG 3.36Å; C377-L381 PolarHBondContact O-N 2.87Å
378L98.6Very high98Very high2 Ų224.6 Ų24.61%0.0111%0.114CC..Hα-helixtrans-62.4-43177.1-67.4169.2000111.7L287 P289 L291 V374 Q375 Y380 L381 G382 Q395 A396 I399L287-L378 CarbonylContact O-C 3.47Å; P289-L378 HydrophobicContact CG-CB 4.48Å; P289-L378 HydrophobicContact CG-CD1 4.22Å; P289-L378 HydrophobicContact CG-CD2 4.28Å; L291-L378 HydrophobicContact CB-CD1 4.27Å; L291-L378 HydrophobicContact CD2-CD1 4.21Å; V374-L378 HydrophobicContact CG2-CD1 4.44Å; V374-L378 HydrophobicContact CG2-CG 4.47Å; V374-L378 VanDerWaalsContact O-CG 3.26Å; V374-L378 WeakPolarHBondContact O-CG 3.48Å; V374-L378 PolarHBondContact O-N 2.75Å; Q375-L378 WeakPolarHBondContact O-CB 3.29Å; Q375-L378 PolarHBondContact O-N 3.41Å; L378-Y380 PolarHBondContact O-N 2.72Å; L378-L381 PolarHBondContact O-N 2.84Å; L378-G382 PolarHBondContact O-N 3.34Å; L378-Q395 HydrophobicContact CB-CB 4.43Å; L378-Q395 HydrophobicContact CD2-CB 3.73Å; L378-A396 HydrophobicContact CD2-CB 4.26Å; L378-I399 HydrophobicContact CD2-CD1 4.45Å; L378-I399 HydrophobicContact CD2-CG1 3.76Å
379E98.6Very high97.8Very high25 Ų2526.2 Ų26.212%0.11712%0.123CC..Hα-helixtrans-57-48.8174.3-175.7-168.2161.400111L287 F288 Y338 Q375 R376 L381 G382 Y383L287-E379 WeakPolarHBondContact O-CA 3.2Å; L287-E379 PolarHBondContact O-N 3.16Å; F288-E379 HydrophobicContact CE1-CB 3.82Å; F288-E379 HydrophobicContact CE1-CG 4.08Å; F288-E379 HydrophobicContact CZ-CB 4.17Å; F288-E379 HydrophobicContact CZ-CG 3.9Å; Y338-E379 PolarHBondContact OH-OE1 3.34Å; Q375-E379 PolarHBondContact O-N 3.32Å; R376-E379 PolarHBondContact O-N 2.98Å; E379-L381 PolarHBondContact O-N 3.4Å; E379-G382 CarbonylContact O-C 3.56Å; E379-G382 WeakPolarHBondContact O-CA 3.32Å; E379-G382 PolarHBondContact O-N 3.35Å; E379-Y383 HydrophobicContact CG-CD2 4.3Å; E379-Y383 HydrophobicContact CG-CE2 3.61Å; E379-Y383 PolarHBondContact O-N 2.94Å; E379-Y383 WeakPolarHBondContact OE1-CE2 3.35Å; E379-Y383 PolarHBondContact OE1-OH 3.41Å; E379-Y383 VanDerWaalsContact OE1-OH 3.07Å
380Y98.6Very high97.6Very high9 Ų927.1 Ų27.14%0.03513%0.131CC..Hα-helixtrans-65.9-40.1-179.8-65.5-5.2000112.6F336 Y338 P340 W366 T369 R376 C377 L378 G382 Y383 L384F336-Y380 HydrophobicContact CD1-CD1 4.28Å; F336-Y380 AromaticContact CE1-CD1 3.63Å; F336-Y380 HydrophobicContact CE1-CD1 3.63Å; F336-Y380 HydrophobicContact CE1-CD2 4.42Å; F336-Y380 HydrophobicContact CE1-CE1 4.28Å; F336-Y380 AromaticContact CE1-CG 3.71Å; F336-Y380 HydrophobicContact CE1-CG 3.71Å; F336-Y380 HydrophobicContact CZ-CG 4.4Å; Y338-Y380 HydrophobicContact CE2-CE1 4.27Å; Y338-Y380 WeakPolarHBondContact OH-CE1 3.25Å; P340-Y380 HydrophobicContact CB-CD1 4.44Å; P340-Y380 HydrophobicContact CB-CD2 4.38Å; P340-Y380 HydrophobicContact CB-CE1 3.76Å; P340-Y380 HydrophobicContact CB-CE2 3.7Å; P340-Y380 WeakPolarHBondContact CB-OH 3.31Å; P340-Y380 PolarHBondContact O-OH 3.1Å; W366-Y380 VanDerWaalsContact CH2-CB 3.42Å; W366-Y380 HydrophobicContact CH2-CD2 4.45Å; W366-Y380 HydrophobicContact CH2-CG 4.45Å; T369-Y380 HydrophobicContact CG2-CE2 4.45Å; R376-Y380 WeakPolarHBondContact CD-OH 3.42Å; R376-Y380 HydrophobicContact CG-CD1 4.29Å; R376-Y380 HydrophobicContact CG-CD2 4.34Å; R376-Y380 HydrophobicContact CG-CE1 3.71Å; R376-Y380 HydrophobicContact CG-CE2 3.75Å; R376-Y380 VanDerWaalsContact CG-CZ 3.4Å; R376-Y380 WeakPolarHBondContact O-CD1 3.45Å; R376-Y380 PolarHBondContact O-N 3.05Å; C377-Y380 PolarHBondContact O-N 3.37Å; L378-Y380 PolarHBondContact O-N 2.72Å; Y380-G382 PolarHBondContact O-N 2.82Å; Y380-Y383 HydrophobicContact CD1-CD2 4.27Å; Y380-Y383 HydrophobicContact CD1-CE2 4.5Å; Y380-Y383 PolarHBondContact O-N 3.47Å; Y380-L384 PolarHBondContact O-N 2.65Å
381L98.6Very high97.4Very high0 Ų031.9 Ų31.90%015%0.154CC..Hα-helixtrans-62.6-33.9171.3-72.5176.6000111.3F308 L309 W366 C377 L378 E379 L384 G385 Y386 Q395F308-L381 HydrophobicContact CD1-CD2 4.16Å; F308-L381 HydrophobicContact CE1-CD2 4.03Å; L309-L381 HydrophobicContact CD2-CD2 4.1Å; W366-L381 HydrophobicContact CH2-CD2 4.24Å; W366-L381 HydrophobicContact CZ3-CD2 3.94Å; W366-L381 HydrophobicContact CZ3-CG 3.98Å; C377-L381 WeakPolarHBondContact O-CG 3.36Å; C377-L381 PolarHBondContact O-N 2.87Å; L378-L381 PolarHBondContact O-N 2.84Å; E379-L381 PolarHBondContact O-N 3.4Å; L381-L384 PolarHBondContact O-N 2.93Å; L381-G385 PolarHBondContact O-N 3.22Å; L381-G385 VanDerWaalsContact O-N 3.08Å; L381-Y386 HydrophobicContact CB-CG 4.48Å; L381-Y386 HydrophobicContact CD2-CD2 4.45Å; L381-Y386 HydrophobicContact CD2-CG 4.33Å; L381-Y386 WeakPolarHBondContact O-CB 3.48Å; L381-Y386 PolarHBondContact O-N 3.31Å; L381-Q395 HydrophobicContact CB-CB 4.08Å; L381-Q395 HydrophobicContact CB-CG 4.09Å
382G98.1Very high97.2Very high0 Ų034.1 Ų34.10%017%0.165CC..Hα-helixtrans-63-45.7172.700000112.3R191 Y286 L378 E379 Y380 G385R191-G382 PolarHBondContact NH2-O 2.61Å; Y286-G382 WeakPolarHBondContact CE1-O 3.29Å; Y286-G382 PolarHBondContact OH-O 3.31Å; L378-G382 PolarHBondContact O-N 3.34Å; E379-G382 CarbonylContact O-C 3.56Å; E379-G382 WeakPolarHBondContact O-CA 3.32Å; E379-G382 PolarHBondContact O-N 3.35Å; Y380-G382 PolarHBondContact O-N 2.82Å; G382-G385 PolarHBondContact O-N 2.86Å; G382-G385 VanDerWaalsContact O-N 3.09Å
383Y98.5Very high97Very high19 Ų1940.4 Ų40.48%0.07519%0.193CC..Hα-helixtrans-63.7-37.8175.2-65.1-37.1000113.1R191 L282 L287 F336 P337 Y338 E379 Y380 G385R191-Y383 PolarHBondContact NE-O 2.84Å; R191-Y383 PolarHBondContact NH2-O 3.44Å; L282-Y383 HydrophobicContact CD1-CD1 3.66Å; L282-Y383 HydrophobicContact CD1-CE1 3.75Å; L287-Y383 HydrophobicContact CD1-CE1 3.83Å; L287-Y383 HydrophobicContact CD2-CD1 3.86Å; L287-Y383 HydrophobicContact CD2-CE1 3.65Å; L287-Y383 HydrophobicContact CG-CE1 4.42Å; F336-Y383 AromaticContact CD1-CD2 3.44Å; F336-Y383 HydrophobicContact CD1-CD2 3.44Å; F336-Y383 VanDerWaalsContact CD1-CD2 3.44Å; F336-Y383 HydrophobicContact CD1-CE2 4.26Å; F336-Y383 HydrophobicContact CD1-CG 4.16Å; F336-Y383 AromaticContact CE1-CD2 3.73Å; F336-Y383 HydrophobicContact CE1-CD2 3.73Å; F336-Y383 HydrophobicContact CE1-CG 4.39Å; F336-Y383 HydrophobicContact CG-CD2 4.02Å; F336-Y383 HydrophobicContact CG-CG 4.35Å; F336-Y383 HydrophobicContact CZ-CD2 4.49Å; P337-Y383 VanDerWaalsContact CD-CZ 3.5Å; P337-Y383 HydrophobicContact CG-CE1 3.82Å; P337-Y383 HydrophobicContact CG-CE2 3.87Å; P337-Y383 VanDerWaalsContact CG-CZ 3.43Å; P337-Y383 WeakPolarHBondContact CG-OH 3.47Å; Y338-Y383 HydrophobicContact CE1-CE2 4.18Å; E379-Y383 HydrophobicContact CG-CD2 4.3Å; E379-Y383 HydrophobicContact CG-CE2 3.61Å; E379-Y383 PolarHBondContact O-N 2.94Å; E379-Y383 WeakPolarHBondContact OE1-CE2 3.35Å; E379-Y383 PolarHBondContact OE1-OH 3.41Å; E379-Y383 VanDerWaalsContact OE1-OH 3.07Å; Y380-Y383 HydrophobicContact CD1-CD2 4.27Å; Y380-Y383 HydrophobicContact CD1-CE2 4.5Å; Y380-Y383 PolarHBondContact O-N 3.47Å; Y383-G385 PolarHBondContact O-N 3.31Å
384L98.3Very high96.9Very high11 Ų1139.3 Ų39.36%0.05819%0.189CC..THydrogen-bonded Turntrans-74.3-9.8173.2-69.7176.9000114.1F308 L309 V312 L332 V335 F336 W366 Y380 L381F308-L384 HydrophobicContact CE1-CB 4.02Å; F308-L384 HydrophobicContact CE1-CD1 4.13Å; F308-L384 HydrophobicContact CZ-CB 3.87Å; L309-L384 HydrophobicContact CD2-CD1 4.24Å; V312-L384 HydrophobicContact CG1-CD1 4.3Å; V312-L384 HydrophobicContact CG1-CD2 4.1Å; L332-L384 HydrophobicContact CD2-CD2 4.41Å; V335-L384 HydrophobicContact CG2-CD2 4.02Å; F336-L384 HydrophobicContact CE2-CD2 3.69Å; F336-L384 HydrophobicContact CE2-CG 3.82Å; F336-L384 HydrophobicContact CZ-CD2 4.31Å; F336-L384 HydrophobicContact CZ-CG 3.98Å; W366-L384 HydrophobicContact CH2-CD1 3.68Å; W366-L384 HydrophobicContact CZ2-CD1 3.51Å; Y380-L384 PolarHBondContact O-N 2.65Å; L381-L384 PolarHBondContact O-N 2.93Å
385G97.3Very high96.9Very high0 Ų038.7 Ų38.70%019%0.185CC..THydrogen-bonded Turntrans76.327.3179.700000114.4L381 G382 Y383 S387 I388 I389L381-G385 PolarHBondContact O-N 3.22Å; L381-G385 VanDerWaalsContact O-N 3.08Å; G382-G385 PolarHBondContact O-N 2.86Å; G382-G385 VanDerWaalsContact O-N 3.09Å; Y383-G385 PolarHBondContact O-N 3.31Å; G385-S387 PolarHBondContact O-N 3Å; G385-I388 WeakPolarHBondContact O-CB 3.44Å; G385-I388 PolarHBondContact O-N 2.98Å; G385-I389 PolarHBondContact O-N 2.95Å
386Y98Very high96.9Very high2 Ų233.2 Ų33.21%0.00816%0.162CC..Hα-helixtrans-51.3-49.6-176.9170.3-97.3000113.5A305 F308 L381 I388 I389 A390 Q392 G398A305-Y386 HydrophobicContact CB-CE2 4.38Å; F308-Y386 HydrophobicContact CB-CD2 3.91Å; F308-Y386 HydrophobicContact CB-CE2 3.98Å; F308-Y386 AromaticContact CD1-CD2 3.54Å; F308-Y386 HydrophobicContact CD1-CD2 3.54Å; F308-Y386 HydrophobicContact CD1-CE2 4.37Å; F308-Y386 HydrophobicContact CD1-CG 4.4Å; F308-Y386 HydrophobicContact CD2-CD2 4.02Å; F308-Y386 AromaticContact CE1-CD2 3.99Å; F308-Y386 HydrophobicContact CE1-CD2 3.99Å; F308-Y386 HydrophobicContact CE1-CG 4.45Å; F308-Y386 HydrophobicContact CE2-CD2 4.44Å; F308-Y386 AromaticContact CG-CD2 3.54Å; F308-Y386 HydrophobicContact CG-CD2 3.54Å; F308-Y386 HydrophobicContact CG-CE2 4.13Å; F308-Y386 HydrophobicContact CZ-CD2 4.41Å; L381-Y386 HydrophobicContact CB-CG 4.48Å; L381-Y386 HydrophobicContact CD2-CD2 4.45Å; L381-Y386 HydrophobicContact CD2-CG 4.33Å; L381-Y386 WeakPolarHBondContact O-CB 3.48Å; L381-Y386 PolarHBondContact O-N 3.31Å; Y386-I388 PolarHBondContact O-N 3.38Å; Y386-I389 PolarHBondContact O-N 2.77Å; Y386-A390 HydrophobicContact CD2-CB 4.18Å; Y386-A390 HydrophobicContact CE1-CB 4.48Å; Y386-A390 HydrophobicContact CE2-CB 3.86Å; Y386-A390 WeakPolarHBondContact O-CB 3.46Å; Y386-A390 PolarHBondContact O-N 3.44Å; Y386-Q392 HydrophobicContact CE1-CG 4.35Å; Y386-G398 WeakPolarHBondContact OH-CA 3.28Å
387S96.1Very high96.8Very high5 Ų529.4 Ų29.44%0.03516%0.156CC..Hα-helixtrans-62.6-27.7-177.852.40000112.5Y286 G385 E391 Q392 Q395Y286-S387 WeakPolarHBondContact CE2-OG 3.46Å; G385-S387 PolarHBondContact O-N 3Å; S387-E391 WeakPolarHBondContact O-CA 3.49Å; S387-E391 PolarHBondContact O-N 2.74Å; S387-Q392 PolarHBondContact O-N 3.02Å; S387-Q392 VanDerWaalsContact O-O 3.11Å; S387-Q395 PolarHBondContact OG-NE2 2.77Å
388I95.7Very high96.8Very high2 Ų229.4 Ų29.41%0.0116%0.156CC..Hα-helixtrans-79.2-53179.9-51174.2000109.5V215 F274 G385 Y386 E391V215-I388 HydrophobicContact CG1-CG2 3.54Å; F274-I388 HydrophobicContact CB-CD1 4.04Å; F274-I388 HydrophobicContact CD1-CD1 3.28Å; F274-I388 HydrophobicContact CD2-CD1 4.39Å; F274-I388 HydrophobicContact CE1-CD1 3.75Å; F274-I388 HydrophobicContact CE1-CG2 4.06Å; F274-I388 HydrophobicContact CE2-CG2 4.4Å; F274-I388 HydrophobicContact CG-CD1 3.65Å; F274-I388 HydrophobicContact CZ-CD1 4.48Å; F274-I388 HydrophobicContact CZ-CG2 3.97Å; G385-I388 WeakPolarHBondContact O-CB 3.44Å; G385-I388 PolarHBondContact O-N 2.98Å; Y386-I388 PolarHBondContact O-N 3.38Å; I388-E391 PolarHBondContact O-N 2.81Å
389I95.1Very high96.8Very high44 Ų4430.1 Ų30.123%0.22616%0.16CC..Hα-helixtrans-67.7-41.9-176.8-65.4168.6000111.1V195 L198 F308 G385 Y386 E391V195-I389 HydrophobicContact CG1-CD1 3.93Å; V195-I389 HydrophobicContact CG1-CG1 4.31Å; L198-I389 HydrophobicContact CD2-CD1 4.35Å; L198-I389 HydrophobicContact CD2-CG1 4.34Å; L198-I389 HydrophobicContact CD2-CG2 4.41Å; F308-I389 HydrophobicContact CD2-CB 4.5Å; F308-I389 HydrophobicContact CD2-CG2 4.22Å; F308-I389 HydrophobicContact CE2-CB 4.01Å; F308-I389 HydrophobicContact CE2-CD1 3.78Å; F308-I389 HydrophobicContact CE2-CG1 4.48Å; F308-I389 HydrophobicContact CE2-CG2 4.06Å; F308-I389 HydrophobicContact CZ-CD1 4.39Å; G385-I389 PolarHBondContact O-N 2.95Å; Y386-I389 PolarHBondContact O-N 2.77Å; I389-E391 VanDerWaalsContact C-N 3.25Å; I389-E391 PolarHBondContact O-N 2.84Å
390A94.2Very high96.8Very high32 Ų3232 Ų3226%0.26417%0.173SC..THydrogen-bonded Turntrans-84.12.3178.500000113.5Y386 Q392Y386-A390 HydrophobicContact CD2-CB 4.18Å; Y386-A390 HydrophobicContact CE1-CB 4.48Å; Y386-A390 HydrophobicContact CE2-CB 3.86Å; Y386-A390 WeakPolarHBondContact O-CB 3.46Å; Y386-A390 PolarHBondContact O-N 3.44Å; A390-Q392 HydrophobicContact CB-CG 3.95Å; A390-Q392 WeakPolarHBondContact O-CG 3.37Å; A390-Q392 PolarHBondContact O-N 3.17Å; A390-Q392 PolarHBondContact O-NE2 2.79Å
391E93.8Very high96.7Very high100 Ų10033.9 Ų33.947%0.46719%0.186SC..THydrogen-bonded Turntrans49.244.5-179.3-63.9176.4-85.600112.6F211 R214 S387 I388 I389F211-E391 HydrophobicContact CE2-CG 4.38Å; R214-E391 IonicContact CZ-OE1 2.69Å; R214-E391 IonicContact CZ-OE2 2.62Å; R214-E391 IonicContact NE-OE2 2.98Å; R214-E391 PolarHBondContact NE-OE2 3.03Å; R214-E391 IonicContact NH2-OE1 2.98Å; R214-E391 PolarHBondContact NH2-OE1 3.13Å; R214-E391 IonicContact NH2-OE2 3.51Å; R214-E391 PolarHBondContact NH2-OE2 3.21Å; S387-E391 WeakPolarHBondContact O-CA 3.49Å; S387-E391 PolarHBondContact O-N 2.74Å; I388-E391 PolarHBondContact O-N 2.81Å; I389-E391 VanDerWaalsContact C-N 3.25Å; I389-E391 PolarHBondContact O-N 2.84Å
392Q94.8Very high96.7Very high80 Ų8034.7 Ų34.737%0.37419%0.191SC..  trans-103.9159.3178.7-60.1-56.6-51.200111.3Y386 S387 A390 S394 A397Y386-Q392 HydrophobicContact CE1-CG 4.35Å; S387-Q392 PolarHBondContact O-N 3.02Å; S387-Q392 VanDerWaalsContact O-O 3.11Å; A390-Q392 HydrophobicContact CB-CG 3.95Å; A390-Q392 WeakPolarHBondContact O-CG 3.37Å; A390-Q392 PolarHBondContact O-N 3.17Å; A390-Q392 PolarHBondContact O-NE2 2.79Å; Q392-S394 VanDerWaalsContact C-N 3.31Å; Q392-S394 PolarHBondContact O-N 3.13Å; Q392-A397 HydrophobicContact CB-CB 3.87Å; Q392-A397 HydrophobicContact CG-CB 3.97Å
393E92.4Very high96.6Very high201 Ų20138.6 Ų38.694%0.93921%0.205SC*.SBendtrans-62.3-39.4175.6-173.8-179.6-174.900112
394S96.3Very high96.4Very high27 Ų2738.8 Ų38.819%0.18921%0.211CC..  trans-156.7173.5177.869.70000112.3Q392 A396 A397Q392-S394 VanDerWaalsContact C-N 3.31Å; Q392-S394 PolarHBondContact O-N 3.13Å; S394-A396 PolarHBondContact O-N 2.95Å; S394-A396 PolarHBondContact OG-N 2.84Å; S394-A397 VanDerWaalsContact O-CB 3.28Å; S394-A397 WeakPolarHBondContact O-CB 3.48Å; S394-A397 PolarHBondContact O-N 3.46Å
395Q97.2Very high96.1Very high3 Ų340.6 Ų40.61%0.01422%0.218CC..G310 helixtrans-63.7-27.9175.1-53.175.23.500111.3Y286 P289 L378 L381 S387 A397 G398Y286-Q395 PolarHBondContact O-NE2 2.87Å; Y286-Q395 PolarHBondContact O-OE1 3.24Å; Y286-Q395 VanDerWaalsContact O-OE1 3.04Å; P289-Q395 HydrophobicContact CG-CB 4.31Å; L378-Q395 HydrophobicContact CB-CB 4.43Å; L378-Q395 HydrophobicContact CD2-CB 3.73Å; L381-Q395 HydrophobicContact CB-CB 4.08Å; L381-Q395 HydrophobicContact CB-CG 4.09Å; S387-Q395 PolarHBondContact OG-NE2 2.77Å; Q395-A397 PolarHBondContact O-N 3.42Å; Q395-G398 PolarHBondContact O-N 2.91Å
396A97.6Very high95.8Very high17 Ų1746.8 Ų46.814%0.1425%0.245CC..G310 helixtrans-62.1-24.2176.700000112.6P289 L291 L378 S394 G398 I399P289-A396 HydrophobicContact CB-CB 4.47Å; P289-A396 HydrophobicContact CG-CB 4.2Å; L291-A396 HydrophobicContact CD1-CB 4.45Å; L378-A396 HydrophobicContact CD2-CB 4.26Å; S394-A396 PolarHBondContact O-N 2.95Å; S394-A396 PolarHBondContact OG-N 2.84Å; A396-G398 PolarHBondContact O-N 2.99Å; A396-I399 PolarHBondContact O-N 3.16Å
397A97.4Very high95.5Very high39 Ų3949.8 Ų49.832%0.32226%0.261SS..G310 helixtrans-62-21.2173.900000113N302 Q392 S394 Q395 I399N302-A397 PolarHBondContact ND2-O 3.03Å; Q392-A397 HydrophobicContact CB-CB 3.87Å; Q392-A397 HydrophobicContact CG-CB 3.97Å; S394-A397 VanDerWaalsContact O-CB 3.28Å; S394-A397 WeakPolarHBondContact O-CB 3.48Å; S394-A397 PolarHBondContact O-N 3.46Å; Q395-A397 PolarHBondContact O-N 3.42Å; A397-I399 VanDerWaalsContact C-N 3.34Å
398G97.3Very high95.3Very high0 Ų050.2 Ų50.20%026%0.262CS..G310 helixtrans-80.6-9.2174.800000114.6N302 A305 Y386 Q395 A396N302-G398 PolarHBondContact N-O 2.93Å; A305-G398 WeakPolarHBondContact CB-O 3.45Å; Y386-G398 WeakPolarHBondContact OH-CA 3.28Å; Q395-G398 PolarHBondContact O-N 2.91Å; A396-G398 PolarHBondContact O-N 2.99Å
399I98.4Very high95Very high17 Ų1751.9 Ų51.99%0.08727%0.271CS..EExtended strand (participates in β ladder)trans-106130.4-172.2-51.1-55.2000111.3L291 T299 L301 T370 V374 L378 A396 A397L291-I399 HydrophobicContact CD2-CB 4.16Å; L291-I399 HydrophobicContact CD2-CG1 4.38Å; L291-I399 HydrophobicContact CD2-CG2 3.9Å; T299-I399 HydrophobicContact CG2-CG2 3.98Å; L301-I399 HydrophobicContact CD2-CD1 3.94Å; T370-I399 HydrophobicContact CG2-CD1 3.93Å; V374-I399 HydrophobicContact CG2-CD1 4.48Å; V374-I399 HydrophobicContact CG2-CG1 4.24Å; V374-I399 HydrophobicContact CG2-CG2 4.03Å; L378-I399 HydrophobicContact CD2-CD1 4.45Å; L378-I399 HydrophobicContact CD2-CG1 3.76Å; A396-I399 PolarHBondContact O-N 3.16Å; A397-I399 VanDerWaalsContact C-N 3.34Å
400T98.3Very high94.8Very high63 Ų6357.1 Ų57.139%0.38730%0.295SS..EExtended strand (participates in β ladder)trans-98.4117.5168.5-58.50000109.6E300 N302E300-T400 PolarHBondContact N-O 2.96Å; E300-T400 PolarHBondContact O-N 2.98Å; N302-T400 WeakPolarHBondContact CB-OG1 3.37Å
401V98.2Very high94.6Very high50 Ų5061.9 Ų61.930%0.30331%0.31SS..EExtended strand (participates in β ladder)trans-85.2115.5168.5-177.30000108.5L291 C297 T299L291-V401 HydrophobicContact CD1-CG2 4.06Å; C297-V401 HydrophobicContact CB-CG1 3.99Å; T299-V401 HydrophobicContact CG2-CG2 4.34Å
402T97.4Very high94.4Very high17 Ų1764.1 Ų64.110%0.10432%0.317CS..PPolyproline II helixtrans-70.2160.1179.974.60000110.3C297 T298 E300 R416C297-T402 VanDerWaalsContact CB-O 3.23Å; C297-T402 WeakPolarHBondContact CB-O 3.32Å; C297-T402 PolarHBondContact SG-O 2.91Å; T298-T402 PolarHBondContact N-OG1 3.32Å; T298-T402 PolarHBondContact O-N 3.39Å; T298-T402 PolarHBondContact O-OG1 3.44Å; T298-T402 WeakPolarHBondContact OG1-CG2 3.23Å; T298-T402 PolarHBondContact OG1-OG1 3.4Å; E300-T402 HydrophobicContact CG-CG2 3.96Å; T402-R416 HydrophobicContact CG2-CG 3.98Å; T402-R416 PolarHBondContact OG1-NE 3.32Å; T402-R416 PolarHBondContact OG1-NH2 2.83Å
403R95.4Very high94.1Very high82 Ų8265.5 Ų65.531%0.30932%0.324SS..PPolyproline II helixtrans-71.5161.217371-176.1-175.2-166.2-0.1111.3K405 D408 Q413 R416R403-K405 PolarHBondContact O-N 2.96Å; R403-D408 IonicContact CZ-OD1 3.95Å; R403-D408 IonicContact NE-OD1 2.87Å; R403-D408 PolarHBondContact NE-OD1 3.48Å; R403-D408 IonicContact NH2-OD1 2.65Å; R403-D408 PolarHBondContact NH2-OD1 3.04Å; R403-Q413 PolarHBondContact NH2-O 2.81Å; R403-R416 PolarHBondContact O-NH2 3.36Å
404A94.4Very high94.1Very high23 Ų2357.2 Ų57.219%0.1929%0.287CS..PPolyproline II helixtrans-58.6133.9-18000000112.2D296 C297 K406 I407D296-A404 HydrophobicContact CB-CB 4.22Å; C297-A404 PolarHBondContact SG-N 3.35Å; C297-A404 VanDerWaalsContact SG-N 3.42Å; A404-K406 PolarHBondContact O-N 2.88Å; A404-K406 VanDerWaalsContact O-N 3.11Å; A404-I407 HydrophobicContact CB-CD1 4.24Å; A404-I407 HydrophobicContact CB-CG1 4.39Å; A404-I407 WeakPolarHBondContact O-CB 3.19Å; A404-I407 PolarHBondContact O-N 3.44Å
405K91.9Very high94Very high48 Ų4862.2 Ų62.221%0.20931%0.307CS..Hα-helixtrans-54.3-33.1-179.7-179.9169.8178.51640113.9D296 R403 I407 D408 L409 C490 D491D296-K405 HydrophobicContact CB-CB 4.41Å; D296-K405 PolarHBondContact O-N 2.96Å; R403-K405 PolarHBondContact O-N 2.96Å; K405-I407 PolarHBondContact O-N 2.93Å; K405-D408 WeakPolarHBondContact O-CB 3.23Å; K405-D408 PolarHBondContact O-N 3.5Å; K405-D408 VanDerWaalsContact O-N 3.11Å; K405-L409 HydrophobicContact CG-CD1 4.46Å; K405-L409 WeakPolarHBondContact O-CG 3.42Å; K405-L409 PolarHBondContact O-N 2.84Å; K405-C490 VanDerWaalsContact NZ-C 3.35Å; K405-C490 PolarHBondContact NZ-O 3.37Å; K405-D491 WeakPolarHBondContact CE-OD1 3.48Å; K405-D491 IonicContact NZ-OD1 3.07Å; K405-D491 PolarHBondContact NZ-OD1 3.29Å
406K90.9Very high94Very high131 Ų13162.5 Ų62.557%0.5731%0.309SS*.Hα-helixtrans-57.5-36.4175.5-71.1171.4177141.60112.2D296 A404 Q410D296-K406 WeakPolarHBondContact OD2-CD 3.28Å; D296-K406 WeakPolarHBondContact OD2-CE 3.37Å; D296-K406 IonicContact OD2-NZ 3.64Å; D296-K406 PolarHBondContact OD2-NZ 3.46Å; A404-K406 PolarHBondContact O-N 2.88Å; A404-K406 VanDerWaalsContact O-N 3.11Å; K406-Q410 VanDerWaalsContact O-CG 3.29Å; K406-Q410 WeakPolarHBondContact O-CG 3.35Å; K406-Q410 PolarHBondContact O-N 3.47Å
407I92.7Very high94Very high65 Ų6564.8 Ų64.833%0.33332%0.318SS..Hα-helixtrans-70.5-40177.5-57.8173000110.3A404 K405 L409 Q410 K411A404-I407 HydrophobicContact CB-CD1 4.24Å; A404-I407 HydrophobicContact CB-CG1 4.39Å; A404-I407 WeakPolarHBondContact O-CB 3.19Å; A404-I407 PolarHBondContact O-N 3.44Å; K405-I407 PolarHBondContact O-N 2.93Å; I407-L409 VanDerWaalsContact C-N 3.34Å; I407-L409 PolarHBondContact O-N 3.06Å; I407-Q410 PolarHBondContact O-N 3.41Å; I407-K411 HydrophobicContact CG2-CD 4.09Å; I407-K411 HydrophobicContact CG2-CG 4.39Å; I407-K411 WeakPolarHBondContact O-CB 3.4Å; I407-K411 WeakPolarHBondContact O-CG 3.37Å; I407-K411 PolarHBondContact O-N 3.2Å
408D92.4Very high94Very high13 Ų1363 Ų637%0.0730%0.303CS..Hα-helixtrans-59.8-44.8175.3-77.3-15.2000111.7R403 K405 K411 K412 Q413 T414R403-D408 IonicContact CZ-OD1 3.95Å; R403-D408 IonicContact NE-OD1 2.87Å; R403-D408 PolarHBondContact NE-OD1 3.48Å; R403-D408 IonicContact NH2-OD1 2.65Å; R403-D408 PolarHBondContact NH2-OD1 3.04Å; K405-D408 WeakPolarHBondContact O-CB 3.23Å; K405-D408 PolarHBondContact O-N 3.5Å; K405-D408 VanDerWaalsContact O-N 3.11Å; D408-K411 CarbonylContact O-C 3.44Å; D408-K411 PolarHBondContact O-N 2.91Å; D408-K412 WeakPolarHBondContact O-CA 3.45Å; D408-K412 PolarHBondContact O-N 3.23Å; D408-Q413 WeakPolarHBondContact CA-O 3.48Å; D408-Q413 PolarHBondContact O-N 3.46Å; D408-Q413 VanDerWaalsContact O-N 3.17Å; D408-Q413 VanDerWaalsContact OD1-O 3.09Å; D408-T414 VanDerWaalsContact OD2-CB 3.27Å; D408-T414 WeakPolarHBondContact OD2-CB 3.38Å; D408-T414 PolarHBondContact OD2-OG1 2.93Å
409L88.9Confident94.1Very high37 Ų3763.2 Ų63.219%0.19430%0.304CS..Hα-helixtrans-66-38.1177.5-65.4175.3000112.6K405 I407 K412 K520 P581 H582K405-L409 HydrophobicContact CG-CD1 4.46Å; K405-L409 WeakPolarHBondContact O-CG 3.42Å; K405-L409 PolarHBondContact O-N 2.84Å; I407-L409 VanDerWaalsContact C-N 3.34Å; I407-L409 PolarHBondContact O-N 3.06Å; L409-K412 PolarHBondContact O-N 3.42Å; L409-K520 HydrophobicContact CD1-CB 4.48Å; L409-K520 HydrophobicContact CD1-CD 4.37Å; L409-P581 HydrophobicContact CD2-CB 4.44Å; L409-P581 HydrophobicContact CD2-CG 3.61Å; L409-H582 PolarHBondContact O-CE1 3.34Å; L409-H582 PolarHBondContact O-NE2 2.95Å
410Q89.9Confident94.1Very high155 Ų15563.8 Ų63.872%0.72431%0.305SS*.Hα-helixtrans-66.3-44175.9-75.2173.1-0.900111.6K406 I407 K412K406-Q410 VanDerWaalsContact O-CG 3.29Å; K406-Q410 WeakPolarHBondContact O-CG 3.35Å; K406-Q410 PolarHBondContact O-N 3.47Å; I407-Q410 PolarHBondContact O-N 3.41Å; Q410-K412 VanDerWaalsContact C-N 3.29Å
411K91.6Very high94.1Very high132 Ų13260.8 Ų60.857%0.57429%0.287SS*.Hα-helixtrans-79.9-10.5179.1-68.3-171.1175.5-173.90113.5I407 D408 Q413I407-K411 HydrophobicContact CG2-CD 4.09Å; I407-K411 HydrophobicContact CG2-CG 4.39Å; I407-K411 WeakPolarHBondContact O-CB 3.4Å; I407-K411 WeakPolarHBondContact O-CG 3.37Å; I407-K411 PolarHBondContact O-N 3.2Å; D408-K411 CarbonylContact O-C 3.44Å; D408-K411 PolarHBondContact O-N 2.91Å; K411-Q413 PolarHBondContact O-N 2.65Å
412K88.5Confident94Very high146 Ų14658.4 Ų58.464%0.63527%0.273SS*.THydrogen-bonded Turntrans52.933.8-174.1-52.9-177.4178.5171.70112.8D408 L409 Q410 H582D408-K412 WeakPolarHBondContact O-CA 3.45Å; D408-K412 PolarHBondContact O-N 3.23Å; L409-K412 PolarHBondContact O-N 3.42Å; Q410-K412 VanDerWaalsContact C-N 3.29Å; K412-H582 HydrophobicContact CD-CB 4.42Å
413Q89.3Confident94.1Very high110 Ų11057.6 Ų57.651%0.51427%0.268SS..  trans-152.7139.3-177.9-175.3-176.416.200108.4R403 D408 K411R403-Q413 PolarHBondContact NH2-O 2.81Å; D408-Q413 WeakPolarHBondContact CA-O 3.48Å; D408-Q413 PolarHBondContact O-N 3.46Å; D408-Q413 VanDerWaalsContact O-N 3.17Å; D408-Q413 VanDerWaalsContact OD1-O 3.09Å; K411-Q413 PolarHBondContact O-N 2.65Å
414T93.1Very high94.1Very high27 Ų2753.7 Ų53.717%0.16625%0.253CS..  trans-124.9153.1173.6-173.10000110.5D408 R416 F419D408-T414 VanDerWaalsContact OD2-CB 3.27Å; D408-T414 WeakPolarHBondContact OD2-CB 3.38Å; D408-T414 PolarHBondContact OD2-OG1 2.93Å; T414-R416 WeakPolarHBondContact OG1-CB 3.44Å; T414-R416 WeakPolarHBondContact OG1-CG 3.42Å; T414-R416 PolarHBondContact OG1-N 2.69Å; T414-R416 VanDerWaalsContact OG1-N 3.15Å; T414-F419 HydrophobicContact CG2-CE1 3.89Å; T414-F419 HydrophobicContact CG2-CZ 3.7Å
415Q93.8Very high94.1Very high131 Ų13152.7 Ų52.761%0.61225%0.245SC*.  trans-108.33.6170.8-63.5-62.8-22.700111.6
416R96.8Very high94.2Very high10 Ų1052.6 Ų52.64%0.03825%0.246CC..  trans-62.5148.9177.8-68.2-172.8169.4-179.7-2.1111.2D296 T298 E300 T402 R403 T414 F419 K469 D491D296-R416 PolarHBondContact O-NH2 3.42Å; T298-R416 VanDerWaalsContact CG2-CZ 3.48Å; T298-R416 VanDerWaalsContact OG1-CZ 3.29Å; T298-R416 PolarHBondContact OG1-NE 3.47Å; E300-R416 WeakPolarHBondContact OE1-CA 3.22Å; E300-R416 WeakPolarHBondContact OE1-CB 3.43Å; T402-R416 HydrophobicContact CG2-CG 3.98Å; T402-R416 PolarHBondContact OG1-NE 3.32Å; T402-R416 PolarHBondContact OG1-NH2 2.83Å; R403-R416 PolarHBondContact O-NH2 3.36Å; T414-R416 WeakPolarHBondContact OG1-CB 3.44Å; T414-R416 WeakPolarHBondContact OG1-CG 3.42Å; T414-R416 PolarHBondContact OG1-N 2.69Å; T414-R416 VanDerWaalsContact OG1-N 3.15Å; R416-F419 HydrophobicContact CB-CE1 4.23Å; R416-F419 HydrophobicContact CB-CZ 4.06Å; R416-K469 PolarHBondContact O-NZ 3.18Å; R416-D491 IonicContact NH1-OD1 3.49Å
417N97.4Very high94.2Very high65 Ų6553.7 Ų53.735%0.34826%0.255SS..SBendtrans-107.7-19.7172.1-59.2-60.7000112.4E300 K469 Y470E300-N417 PolarHBondContact OE1-N 3.44Å; E300-N417 WeakPolarHBondContact OE2-CB 3.36Å; E300-N417 PolarHBondContact OE2-N 3.06Å; E300-N417 PolarHBondContact OE2-ND2 3.28Å; N417-K469 HydrophobicContact CB-CD 4.46Å; N417-K469 PolarHBondContact OD1-NZ 2.79Å; N417-Y470 PolarHBondContact O-N 3.3Å
418V98.3Very high94.1Very high1 Ų155.4 Ų55.41%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-113.2126-177.7-168.60000110.4E300 T367 Y371E300-V418 HydrophobicContact CG-CG2 3.97Å; E300-V418 PolarHBondContact OE1-N 2.92Å; T367-V418 HydrophobicContact CG2-CG1 4.39Å; T367-V418 HydrophobicContact CG2-CG2 3.51Å; Y371-V418 HydrophobicContact CD2-CB 3.78Å; Y371-V418 HydrophobicContact CD2-CG1 3.5Å; Y371-V418 HydrophobicContact CE2-CB 4.04Å; Y371-V418 HydrophobicContact CE2-CG1 3.88Å; Y371-V418 HydrophobicContact CG-CG1 4.07Å
419F98.2Very high94.2Very high4 Ų454.9 Ų54.92%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-121.8128178.7-63.2-81.4000111.3T414 R416 K469 Y470 L472 D491 T575 A578 M579T414-F419 HydrophobicContact CG2-CE1 3.89Å; T414-F419 HydrophobicContact CG2-CZ 3.7Å; R416-F419 HydrophobicContact CB-CE1 4.23Å; R416-F419 HydrophobicContact CB-CZ 4.06Å; F419-K469 HydrophobicContact CD2-CB 4.39Å; F419-K469 HydrophobicContact CE2-CB 4.32Å; F419-K469 HydrophobicContact CE2-CD 4.08Å; F419-K469 HydrophobicContact CE2-CG 4.21Å; F419-Y470 PolarHBondContact N-O 3.5Å; F419-L472 PolarHBondContact O-N 2.89Å; F419-D491 WeakPolarHBondContact CA-OD2 3.31Å; F419-D491 HydrophobicContact CB-CB 4.35Å; F419-D491 HydrophobicContact CD1-CB 4.09Å; F419-T575 HydrophobicContact CD2-CG2 4.13Å; F419-A578 HydrophobicContact CB-CB 3.9Å; F419-A578 HydrophobicContact CD1-CB 3.81Å; F419-A578 HydrophobicContact CG-CB 3.96Å; F419-M579 HydrophobicContact CD2-CG 4.17Å; F419-M579 HydrophobicContact CE1-CG 4.12Å; F419-M579 HydrophobicContact CE2-CG 3.46Å; F419-M579 VanDerWaalsContact CE2-CG 3.46Å; F419-M579 HydrophobicContact CE2-SD 4.32Å; F419-M579 HydrophobicContact CZ-CB 4.36Å; F419-M579 HydrophobicContact CZ-CG 3.45Å; F419-M579 VanDerWaalsContact CZ-CG 3.45Å
420R98.1Very high94.5Very high30 Ų3054.2 Ų54.211%0.11327%0.273CS..EExtended strand (participates in β ladder)trans-92.5129.4178.2174.4166.7167.5-164.4-13.3111.5Y371 N422 L472 H474 A486 A489 C490 D491 I492Y371-R420 HydrophobicContact CE1-CB 3.95Å; Y371-R420 WeakPolarHBondContact OH-CB 3.3Å; R420-N422 PolarHBondContact NE-OD1 3.39Å; R420-N422 PolarHBondContact NH2-ND2 3.15Å; R420-N422 PolarHBondContact NH2-OD1 3.33Å; R420-L472 CarbonylContact C-O 3.44Å; R420-L472 WeakPolarHBondContact CA-O 3.26Å; R420-L472 HydrophobicContact CG-CD2 4.13Å; R420-H474 PolarHBondContact NH2-ND1 3.01Å; R420-A486 PolarHBondContact NH2-O 3.07Å; R420-A489 VanDerWaalsContact CZ-O 3.29Å; R420-A489 PolarHBondContact NE-O 3.27Å; R420-C490 HydrophobicContact CG-CB 4.21Å; R420-C490 WeakPolarHBondContact O-CB 3.24Å; R420-D491 PolarHBondContact N-OD2 2.95Å; R420-D491 PolarHBondContact O-N 3.27Å; R420-I492 PolarHBondContact O-N 3.39Å
421C98.3Very high94.8Very high0 Ų047.4 Ų47.40%024%0.241CC..EExtended strand (participates in β ladder)trans-117.3113.6175.7174.40000109.9L471 L472 L473 H474 I492 C494C421-L471 HydrophobicContact CB-CD1 3.94Å; C421-L472 PolarHBondContact N-O 3.12Å; C421-L473 HydrophobicContact CB-CD2 3.68Å; C421-L473 WeakPolarHBondContact O-CA 3.44Å; C421-H474 PolarHBondContact O-N 3.27Å; C421-I492 VanDerWaalsContact CA-O 3.28Å; C421-I492 WeakPolarHBondContact CA-O 3.42Å; C421-I492 HydrophobicContact CB-CG2 3.5Å; C421-C494 VanDerWaalsContact SG-CB 3.57Å
422N97.7Very high95Very high0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-87.2127.4174.9-69-5.8000109.5R420 F424 V476 D487 A489 C490 I492 C494R420-N422 PolarHBondContact NE-OD1 3.39Å; R420-N422 PolarHBondContact NH2-ND2 3.15Å; R420-N422 PolarHBondContact NH2-OD1 3.33Å; N422-F424 HydrophobicContact CB-CD2 4.35Å; N422-F424 HydrophobicContact CB-CE2 3.58Å; N422-F424 HydrophobicContact CB-CZ 4.12Å; N422-V476 HydrophobicContact CB-CG2 3.77Å; N422-D487 PolarHBondContact ND2-O 3.5Å; N422-A489 PolarHBondContact ND2-O 2.98Å; N422-C490 HydrophobicContact CB-CB 4.02Å; N422-C490 WeakPolarHBondContact ND2-CB 3.43Å; N422-I492 PolarHBondContact N-O 3.38Å; N422-I492 VanDerWaalsContact N-O 3.12Å; N422-C494 PolarHBondContact O-N 2.74Å
423V97.7Very high95.4Very high0 Ų037.1 Ų37.10%021%0.205CC..EExtended strand (participates in β ladder)trans-105110.7-174.9-1740000108.9K431 F434 L435 L473 H474 V476 C494 V496V423-K431 HydrophobicContact CG1-CB 4.24Å; V423-K431 HydrophobicContact CG1-CG 4.2Å; V423-F434 HydrophobicContact CG1-CD1 4.38Å; V423-F434 HydrophobicContact CG2-CD1 4.41Å; V423-L435 HydrophobicContact CB-CD1 4.18Å; V423-L435 HydrophobicContact CG1-CD1 4.28Å; V423-L435 HydrophobicContact CG2-CD1 3.92Å; V423-L473 HydrophobicContact CG2-CB 4.4Å; V423-L473 HydrophobicContact CG2-CD2 4.47Å; V423-H474 PolarHBondContact N-O 3.36Å; V423-V476 PolarHBondContact O-N 2.86Å; V423-C494 WeakPolarHBondContact CA-O 3.44Å; V423-C494 HydrophobicContact CG2-CB 4.16Å; V423-V496 HydrophobicContact CG1-CG2 3.59Å
424F96.4Very high95.8Very high0 Ų032 Ų320%018%0.181CC..EExtended strand (participates in β ladder)trans-109.7152.7179.1-63.3-90.4000110.7N422 V476 L483 V493 C494 L495 V496 Y507 V511 F516N422-F424 HydrophobicContact CB-CD2 4.35Å; N422-F424 HydrophobicContact CB-CE2 3.58Å; N422-F424 HydrophobicContact CB-CZ 4.12Å; F424-V476 HydrophobicContact CD1-CB 3.99Å; F424-V476 HydrophobicContact CD1-CG1 4.16Å; F424-V476 HydrophobicContact CE1-CB 3.71Å; F424-V476 HydrophobicContact CE1-CG1 3.55Å; F424-V476 HydrophobicContact CE1-CG2 4.04Å; F424-V476 HydrophobicContact CE2-CG2 4.38Å; F424-V476 HydrophobicContact CZ-CB 4.16Å; F424-V476 HydrophobicContact CZ-CG1 4.16Å; F424-V476 HydrophobicContact CZ-CG2 3.94Å; F424-L483 HydrophobicContact CD1-CD1 4.33Å; F424-L483 HydrophobicContact CE1-CD1 3.49Å; F424-L483 VanDerWaalsContact CE1-CD1 3.49Å; F424-L483 HydrophobicContact CE1-CD2 3.79Å; F424-L483 HydrophobicContact CE1-CG 4.32Å; F424-L483 HydrophobicContact CZ-CD1 3.91Å; F424-V493 HydrophobicContact CD2-CG1 3.71Å; F424-V493 HydrophobicContact CE2-CG1 3.96Å; F424-C494 PolarHBondContact N-O 3.04Å; F424-L495 HydrophobicContact CB-CD2 4.02Å; F424-V496 PolarHBondContact O-N 3.06Å; F424-Y507 HydrophobicContact CB-CE1 4.43Å; F424-V511 HydrophobicContact CB-CG1 4.4Å; F424-V511 HydrophobicContact CD1-CG1 4.09Å; F424-V511 HydrophobicContact CG-CG1 4.12Å; F424-F516 HydrophobicContact CD2-CE2 4.39Å; F424-F516 AromaticContact CE2-CE2 3.87Å; F424-F516 HydrophobicContact CE2-CE2 3.87Å; F424-F516 AromaticContact CE2-CZ 3.81Å; F424-F516 HydrophobicContact CE2-CZ 3.81Å; F424-F516 HydrophobicContact CZ-CE2 4.08Å; F424-F516 AromaticContact CZ-CZ 3.91Å; F424-F516 HydrophobicContact CZ-CZ 3.91Å
425G94.7Very high96Very high2 Ų230.7 Ų30.72%0.02117%0.173CC..  trans168.6159.2179.200000110.5K431 V496 Y507G425-K431 PolarHBondContact O-NZ 3.06Å; G425-V496 WeakPolarHBondContact CA-O 3.16Å; G425-Y507 VanDerWaalsContact C-CD1 3.4Å; G425-Y507 VanDerWaalsContact C-CE1 3.41Å; G425-Y507 WeakPolarHBondContact O-CE1 3.33Å
426D92.8Very high96.2Very high45 Ų4525 Ų2524%0.24115%0.147CC..  trans-61.6166.4177.7-164.411.1000111.7S428 S429 K431 Y507D426-S428 PolarHBondContact O-N 3.2Å; D426-S429 VanDerWaalsContact O-CB 3.32Å; D426-S429 WeakPolarHBondContact O-CB 3.39Å; D426-S429 PolarHBondContact O-N 3.38Å; D426-S429 VanDerWaalsContact O-N 3.14Å; D426-S429 PolarHBondContact O-OG 3.18Å; D426-K431 PolarHBondContact O-NZ 2.85Å; D426-Y507 HydrophobicContact CB-CG 4.17Å
427M90.9Very high96.2Very high154 Ų15424.6 Ų24.676%0.75915%0.145SC*.THydrogen-bonded Turntrans-54.5136.1171.7-68-164.5-63.900110S429M427-S429 PolarHBondContact O-N 2.96Å; M427-S429 VanDerWaalsContact O-N 3.1Å
428S91.8Very high96.2Very high102 Ų10221.5 Ų21.571%0.71313%0.129SC*.THydrogen-bonded Turntrans60.915.5-179.3-56.20000115.7D426 G430 K529D426-S428 PolarHBondContact O-N 3.2Å; S428-G430 PolarHBondContact O-N 3.49Å; S428-G430 VanDerWaalsContact O-N 3.17Å; S428-K529 WeakPolarHBondContact O-CE 3.5Å; S428-K529 PolarHBondContact O-NZ 3.5Å
429S94.6Very high96.2Very high1 Ų122 Ų221%0.00713%0.131CC..SBendtrans-69.5-9.7178.875.60000114.4D426 M427 V496 A528D426-S429 VanDerWaalsContact O-CB 3.32Å; D426-S429 WeakPolarHBondContact O-CB 3.39Å; D426-S429 PolarHBondContact O-N 3.38Å; D426-S429 VanDerWaalsContact O-N 3.14Å; D426-S429 PolarHBondContact O-OG 3.18Å; M427-S429 PolarHBondContact O-N 2.96Å; M427-S429 VanDerWaalsContact O-N 3.1Å; S429-V496 WeakPolarHBondContact CB-O 3.47Å; S429-V496 PolarHBondContact OG-O 2.77Å; S429-V496 VanDerWaalsContact OG-O 3.09Å; S429-A528 WeakPolarHBondContact O-CB 3.43Å
430G95Very high96Very high23 Ų2321.9 Ų21.924%0.23713%0.131CC..SBendtrans102.613.6179.100000115S428 G433 F434S428-G430 PolarHBondContact O-N 3.49Å; S428-G430 VanDerWaalsContact O-N 3.17Å; G430-G433 PolarHBondContact O-N 2.91Å; G430-F434 PolarHBondContact O-N 3.29Å
431K96Very high95.9Very high13 Ų1320.9 Ų20.96%0.05713%0.127CC..Hα-helixtrans-52.3-57.7178.8-62.7-172-63.8-80.90113.5V423 G425 D426 G433 F434 L435 E475 V496V423-K431 HydrophobicContact CG1-CB 4.24Å; V423-K431 HydrophobicContact CG1-CG 4.2Å; G425-K431 PolarHBondContact O-NZ 3.06Å; D426-K431 PolarHBondContact O-NZ 2.85Å; K431-G433 PolarHBondContact O-N 3.37Å; K431-F434 WeakPolarHBondContact O-CA 3.38Å; K431-F434 VanDerWaalsContact O-CB 3.22Å; K431-F434 WeakPolarHBondContact O-CB 3.34Å; K431-F434 PolarHBondContact O-N 2.83Å; K431-L435 VanDerWaalsContact O-CD1 3.3Å; K431-L435 WeakPolarHBondContact O-CD1 3.31Å; K431-L435 PolarHBondContact O-N 3.23Å; K431-E475 HydrophobicContact CB-CG 3.87Å; K431-E475 WeakPolarHBondContact CB-OE1 3.15Å; K431-E475 HydrophobicContact CD-CG 4.04Å; K431-E475 WeakPolarHBondContact CE-OE1 3.5Å; K431-V496 HydrophobicContact CG-CB 4.42Å
432S95.9Very high95.8Very high53 Ų5321.9 Ų21.937%0.37113%0.133SC..Hα-helixtrans-59.8-35.7179.8-37.50000112.2F434 L435 Q436 E475S432-F434 VanDerWaalsContact C-N 3.31Å; S432-F434 PolarHBondContact O-N 2.93Å; S432-L435 PolarHBondContact O-N 2.73Å; S432-Q436 WeakPolarHBondContact O-CG 3.13Å; S432-Q436 PolarHBondContact O-N 2.85Å; S432-E475 WeakPolarHBondContact CA-OE2 3.25Å; S432-E475 VanDerWaalsContact CB-OE2 3.27Å; S432-E475 WeakPolarHBondContact CB-OE2 3.44Å; S432-E475 PolarHBondContact N-OE2 2.86Å; S432-E475 VanDerWaalsContact OG-CD 3.25Å; S432-E475 PolarHBondContact OG-OE1 3.08Å; S432-E475 VanDerWaalsContact OG-OE1 3.04Å; S432-E475 PolarHBondContact OG-OE2 2.82Å
433G96.3Very high95.6Very high9 Ų924.3 Ų24.39%0.09315%0.146CC..Hα-helixtrans-67.2-31.7175.400000113.5G430 K431 A437 Q446G430-G433 PolarHBondContact O-N 2.91Å; K431-G433 PolarHBondContact O-N 3.37Å; G433-A437 WeakPolarHBondContact O-CB 2.99Å; G433-A437 PolarHBondContact O-N 3.24Å; G433-Q446 PolarHBondContact O-NE2 3.37Å
434F97.6Very high95.5Very high1 Ų128.4 Ų28.40%0.00417%0.17CC..Hα-helixtrans-66.3-44.7170.4-173.8-101.9000111.2V423 G430 K431 S432 A437 F438 L473 I526 F558 I570 Y571 L574V423-F434 HydrophobicContact CG1-CD1 4.38Å; V423-F434 HydrophobicContact CG2-CD1 4.41Å; G430-F434 PolarHBondContact O-N 3.29Å; K431-F434 WeakPolarHBondContact O-CA 3.38Å; K431-F434 VanDerWaalsContact O-CB 3.22Å; K431-F434 WeakPolarHBondContact O-CB 3.34Å; K431-F434 PolarHBondContact O-N 2.83Å; S432-F434 VanDerWaalsContact C-N 3.31Å; S432-F434 PolarHBondContact O-N 2.93Å; F434-A437 PolarHBondContact O-N 2.93Å; F434-F438 PolarHBondContact O-N 3.45Å; F434-L473 HydrophobicContact CD1-CD1 4.32Å; F434-L473 HydrophobicContact CE1-CD1 4.26Å; F434-I526 HydrophobicContact CD2-CG2 4.42Å; F434-I526 HydrophobicContact CE2-CG1 4.37Å; F434-I526 HydrophobicContact CE2-CG2 4.28Å; F434-I526 HydrophobicContact CZ-CG1 4.44Å; F434-F558 HydrophobicContact CB-CE1 4.32Å; F434-F558 AromaticContact CD2-CD1 3.66Å; F434-F558 HydrophobicContact CD2-CD1 3.66Å; F434-F558 HydrophobicContact CD2-CD2 4.46Å; F434-F558 AromaticContact CD2-CE1 3.54Å; F434-F558 HydrophobicContact CD2-CE1 3.54Å; F434-F558 HydrophobicContact CD2-CE2 4.34Å; F434-F558 HydrophobicContact CD2-CG 4.11Å; F434-F558 AromaticContact CD2-CZ 3.88Å; F434-F558 HydrophobicContact CD2-CZ 3.88Å; F434-F558 HydrophobicContact CE2-CD1 4.3Å; F434-F558 HydrophobicContact CE2-CD2 4.38Å; F434-F558 HydrophobicContact CE2-CE1 4.35Å; F434-F558 HydrophobicContact CE2-CE2 4.4Å; F434-F558 HydrophobicContact CE2-CG 4.3Å; F434-F558 HydrophobicContact CE2-CZ 4.37Å; F434-F558 HydrophobicContact CG-CE1 4.39Å; F434-I570 HydrophobicContact CE2-CG2 4.05Å; F434-I570 HydrophobicContact CZ-CG2 4.02Å; F434-Y571 HydrophobicContact CD1-CE1 4.07Å; F434-Y571 HydrophobicContact CD2-CE1 4.27Å; F434-Y571 HydrophobicContact CE1-CD1 4.18Å; F434-Y571 AromaticContact CE1-CE1 3.56Å; F434-Y571 HydrophobicContact CE1-CE1 3.56Å; F434-Y571 AromaticContact CE2-CE1 3.78Å; F434-Y571 HydrophobicContact CE2-CE1 3.78Å; F434-Y571 HydrophobicContact CG-CE1 4.4Å; F434-Y571 AromaticContact CZ-CD1 3.95Å; F434-Y571 HydrophobicContact CZ-CD1 3.95Å; F434-Y571 AromaticContact CZ-CE1 3.39Å; F434-Y571 HydrophobicContact CZ-CE1 3.39Å; F434-Y571 PolarHBondContact O-OH 3.24Å; F434-L574 HydrophobicContact CE1-CD1 3.98Å; F434-L574 HydrophobicContact CZ-CD1 3.79Å
435L98.1Very high95.3Very high0 Ų031.9 Ų31.90%018%0.183CC..Hα-helixtrans-59.5-51.2175.2-8870.5000111.8V423 K431 S432 A437 F438 Y456 A458 L473 E475V423-L435 HydrophobicContact CB-CD1 4.18Å; V423-L435 HydrophobicContact CG1-CD1 4.28Å; V423-L435 HydrophobicContact CG2-CD1 3.92Å; K431-L435 VanDerWaalsContact O-CD1 3.3Å; K431-L435 WeakPolarHBondContact O-CD1 3.31Å; K431-L435 PolarHBondContact O-N 3.23Å; S432-L435 PolarHBondContact O-N 2.73Å; L435-A437 VanDerWaalsContact C-N 3.29Å; L435-A437 PolarHBondContact O-N 2.69Å; L435-F438 VanDerWaalsContact O-CB 3.23Å; L435-F438 WeakPolarHBondContact O-CB 3.47Å; L435-F438 PolarHBondContact O-N 3.04Å; L435-F438 VanDerWaalsContact O-N 3.11Å; L435-Y456 WeakPolarHBondContact CD2-O 3.41Å; L435-A458 HydrophobicContact CB-CB 3.87Å; L435-A458 HydrophobicContact CD2-CB 4.34Å; L435-A458 HydrophobicContact CG-CB 4.05Å; L435-A458 WeakPolarHBondContact O-CB 3.42Å; L435-L473 HydrophobicContact CD1-CB 4.33Å; L435-L473 HydrophobicContact CG-CB 3.91Å; L435-L473 HydrophobicContact CG-CD1 4.34Å; L435-E475 HydrophobicContact CD1-CB 4.09Å; L435-E475 HydrophobicContact CD2-CB 3.8Å
436Q97.5Very high95.3Very high13 Ų1333.1 Ų33.16%0.06119%0.189CC..Hα-helixtrans-66.5-31.9-177.9-66.9-57.2-52.200112.9N347 S432 F438 L439 R441 Q446 I449N347-Q436 PolarHBondContact O-NE2 3.03Å; S432-Q436 WeakPolarHBondContact O-CG 3.13Å; S432-Q436 PolarHBondContact O-N 2.85Å; Q436-F438 VanDerWaalsContact C-N 3.26Å; Q436-F438 PolarHBondContact O-N 2.76Å; Q436-L439 WeakPolarHBondContact O-CB 3.39Å; Q436-L439 PolarHBondContact O-N 2.89Å; Q436-L439 VanDerWaalsContact O-N 3.11Å; Q436-R441 HydrophobicContact CB-CB 4.34Å; Q436-R441 WeakPolarHBondContact O-CB 3.44Å; Q436-R441 PolarHBondContact O-N 2.83Å; Q436-R441 VanDerWaalsContact O-N 3.12Å; Q436-Q446 HydrophobicContact CB-CG 3.63Å; Q436-Q446 HydrophobicContact CG-CG 4.2Å; Q436-I449 HydrophobicContact CG-CD1 4Å
437A97.2Very high95.3Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-66.8-27.6174.900000112.9G433 F434 L435 L439 G440 R441 F558 C560 P566 Y571G433-A437 WeakPolarHBondContact O-CB 2.99Å; G433-A437 PolarHBondContact O-N 3.24Å; F434-A437 PolarHBondContact O-N 2.93Å; L435-A437 VanDerWaalsContact C-N 3.29Å; L435-A437 PolarHBondContact O-N 2.69Å; A437-L439 PolarHBondContact O-N 2.96Å; A437-G440 PolarHBondContact O-N 3.16Å; A437-G440 VanDerWaalsContact O-N 3.07Å; A437-R441 WeakPolarHBondContact CA-O 3.19Å; A437-F558 HydrophobicContact CB-CE1 4.21Å; A437-F558 HydrophobicContact CB-CZ 3.55Å; A437-C560 HydrophobicContact CB-CB 4.29Å; A437-P566 HydrophobicContact CB-CB 3.72Å; A437-P566 HydrophobicContact CB-CG 3.68Å; A437-Y571 WeakPolarHBondContact CB-OH 3.23Å
438F97.8Very high95.4Very high1 Ų138.6 Ų38.60%0.00421%0.21CC..Hα-helixtrans-62.2-33.3171.5-176.6-140.1000112F434 L435 Q436 G440 A458 S460 T462 L471 L473 Y571F434-F438 PolarHBondContact O-N 3.45Å; L435-F438 VanDerWaalsContact O-CB 3.23Å; L435-F438 WeakPolarHBondContact O-CB 3.47Å; L435-F438 PolarHBondContact O-N 3.04Å; L435-F438 VanDerWaalsContact O-N 3.11Å; Q436-F438 VanDerWaalsContact C-N 3.26Å; Q436-F438 PolarHBondContact O-N 2.76Å; F438-G440 PolarHBondContact O-N 2.71Å; F438-A458 HydrophobicContact CD1-CB 4.36Å; F438-S460 VanDerWaalsContact CE1-N 3.28Å; F438-T462 HydrophobicContact CE2-CG2 3.65Å; F438-T462 HydrophobicContact CZ-CG2 3.89Å; F438-L471 HydrophobicContact CE1-CB 4.14Å; F438-L471 HydrophobicContact CE1-CD2 4.43Å; F438-L471 HydrophobicContact CE1-CG 4.45Å; F438-L471 VanDerWaalsContact CE1-O 3.29Å; F438-L471 WeakPolarHBondContact CE1-O 3.29Å; F438-L471 HydrophobicContact CE2-CD2 4.36Å; F438-L471 HydrophobicContact CZ-CB 3.78Å; F438-L471 HydrophobicContact CZ-CD2 4.12Å; F438-L471 HydrophobicContact CZ-CG 4.34Å; F438-L473 HydrophobicContact CB-CD1 3.71Å; F438-L473 HydrophobicContact CD1-CD1 3.68Å; F438-L473 HydrophobicContact CD1-CG 3.98Å; F438-L473 HydrophobicContact CE1-CG 4.45Å; F438-L473 HydrophobicContact CG-CD1 3.87Å; F438-Y571 HydrophobicContact CB-CD1 3.96Å; F438-Y571 HydrophobicContact CB-CD2 4.31Å; F438-Y571 HydrophobicContact CB-CE1 3.59Å; F438-Y571 HydrophobicContact CB-CE2 4Å; F438-Y571 HydrophobicContact CB-CG 4.32Å; F438-Y571 AromaticContact CD2-CD1 3.65Å; F438-Y571 HydrophobicContact CD2-CD1 3.65Å; F438-Y571 AromaticContact CD2-CD2 3.48Å; F438-Y571 HydrophobicContact CD2-CD2 3.48Å; F438-Y571 VanDerWaalsContact CD2-CD2 3.48Å; F438-Y571 HydrophobicContact CD2-CE1 4.16Å; F438-Y571 HydrophobicContact CD2-CE2 4.02Å; F438-Y571 AromaticContact CD2-CG 3.3Å; F438-Y571 HydrophobicContact CD2-CG 3.3Å; F438-Y571 HydrophobicContact CE2-CD1 4.38Å; F438-Y571 HydrophobicContact CE2-CD2 4.27Å; F438-Y571 AromaticContact CE2-CG 3.87Å; F438-Y571 HydrophobicContact CE2-CG 3.87Å; F438-Y571 AromaticContact CG-CD1 3.87Å; F438-Y571 HydrophobicContact CG-CD1 3.87Å; F438-Y571 HydrophobicContact CG-CD2 4.27Å; F438-Y571 HydrophobicContact CG-CE1 4.04Å; F438-Y571 HydrophobicContact CG-CE2 4.45Å; F438-Y571 HydrophobicContact CG-CG 4.01Å; F438-Y571 PolarHBondContact N-OH 3.41Å
439L97Very high95.5Very high10 Ų1035.4 Ų35.45%0.05219%0.185CC..THydrogen-bonded Turntrans-81.99.2175.7-51.1178.9000113.1N347 Q436 A437 A458N347-L439 WeakPolarHBondContact O-CD1 3.19Å; Q436-L439 WeakPolarHBondContact O-CB 3.39Å; Q436-L439 PolarHBondContact O-N 2.89Å; Q436-L439 VanDerWaalsContact O-N 3.11Å; A437-L439 PolarHBondContact O-N 2.96Å; L439-A458 HydrophobicContact CD1-CB 4.22Å; L439-A458 HydrophobicContact CD2-CB 4.23Å; L439-A458 HydrophobicContact CG-CB 4.14Å
440G95.3Very high95.5Very high2 Ų241 Ų412%0.02121%0.209CC..THydrogen-bonded Turntrans84.110.317900000114.9A437 F438A437-G440 PolarHBondContact O-N 3.16Å; A437-G440 VanDerWaalsContact O-N 3.07Å; F438-G440 PolarHBondContact O-N 2.71Å
441R95.8Very high95.3Very high10 Ų1046.6 Ų46.64%0.03823%0.229CC..  trans-96.3117.3-173.5-58.7164.5-173.4-163.5-7.3111.5N346 N347 T351 Q436 A437 R445 Q446N346-R441 PolarHBondContact O-NH2 3.28Å; N347-R441 VanDerWaalsContact CA-NH1 3.33Å; N347-R441 PolarHBondContact OD1-NH1 3.15Å; T351-R441 PolarHBondContact OG1-NH2 2.88Å; Q436-R441 HydrophobicContact CB-CB 4.34Å; Q436-R441 WeakPolarHBondContact O-CB 3.44Å; Q436-R441 PolarHBondContact O-N 2.83Å; Q436-R441 VanDerWaalsContact O-N 3.12Å; A437-R441 WeakPolarHBondContact CA-O 3.19Å; R441-R445 HydrophobicContact CB-CB 4.2Å; R441-Q446 HydrophobicContact CB-CG 4.23Å; R441-Q446 PolarHBondContact O-NE2 3.45Å
442N95.2Very high95.1Very high21 Ų2152.4 Ų52.411%0.11226%0.256CS..  trans-73172.4171.170.58.5000112.1V444 R445 Q446 C560 T562 P566N442-V444 PolarHBondContact O-N 3.33Å; N442-V444 PolarHBondContact OD1-N 3.11Å; N442-R445 PolarHBondContact O-N 3.19Å; N442-R445 PolarHBondContact OD1-N 3.19Å; N442-Q446 VanDerWaalsContact O-CG 3.28Å; N442-Q446 WeakPolarHBondContact O-CG 3.33Å; N442-Q446 PolarHBondContact O-N 2.97Å; N442-C560 CarbonylContact C-O 3.54Å; N442-C560 WeakPolarHBondContact CA-O 3.41Å; N442-T562 WeakPolarHBondContact CB-O 3.35Å; N442-T562 PolarHBondContact ND2-O 3.07Å; N442-P566 HydrophobicContact CB-CG 4.45Å
443L95Very high95Very high51 Ų5152.4 Ų52.427%0.26725%0.25SS..Hα-helixtrans-58.4-31.4-177-174.360.8000113.3Q446 K447 C560 N561L443-Q446 PolarHBondContact O-N 3.46Å; L443-K447 WeakPolarHBondContact O-CG 3.15Å; L443-K447 PolarHBondContact O-N 3.09Å; L443-K447 VanDerWaalsContact O-N 3.15Å; L443-C560 PolarHBondContact N-O 3.26Å; L443-N561 HydrophobicContact CB-CB 4.42Å; L443-N561 HydrophobicContact CD2-CB 4Å
444V94Very high94.8Very high86 Ų8658 Ų5852%0.52127%0.269SS..Hα-helixtrans-66.6-49.3177.8178.70000110.6N442 Q446 K447 M448N442-V444 PolarHBondContact O-N 3.33Å; N442-V444 PolarHBondContact OD1-N 3.11Å; V444-Q446 VanDerWaalsContact C-N 3.3Å; V444-Q446 PolarHBondContact O-N 3.23Å; V444-K447 PolarHBondContact O-N 2.62Å; V444-M448 HydrophobicContact CG1-CE 4.34Å
445R92.6Very high94.7Very high73 Ų7358.5 Ų58.528%0.27527%0.272SS..Hα-helixtrans-62.5-39.5176.1-68.2-173.878.8176.25.8111.4N352 D353 R441 N442 K447 M448N352-R445 PolarHBondContact O-NH2 3.49Å; N352-R445 VanDerWaalsContact O-NH2 3.14Å; D353-R445 IonicContact OD1-NH1 2.66Å; R441-R445 HydrophobicContact CB-CB 4.2Å; N442-R445 PolarHBondContact O-N 3.19Å; N442-R445 PolarHBondContact OD1-N 3.19Å; R445-K447 VanDerWaalsContact C-N 3.3Å; R445-K447 PolarHBondContact O-N 2.95Å; R445-M448 WeakPolarHBondContact O-CB 3.24Å; R445-M448 PolarHBondContact O-N 3.19Å; R445-M448 VanDerWaalsContact O-N 3.1Å
446Q94.3Very high94.6Very high28 Ų2864.2 Ų64.213%0.13129%0.294CS..Hα-helixtrans-61.7-35178.9-69.2176.122.800113.1G433 Q436 R441 N442 L443 V444 M448 I449G433-Q446 PolarHBondContact O-NE2 3.37Å; Q436-Q446 HydrophobicContact CB-CG 3.63Å; Q436-Q446 HydrophobicContact CG-CG 4.2Å; R441-Q446 HydrophobicContact CB-CG 4.23Å; R441-Q446 PolarHBondContact O-NE2 3.45Å; N442-Q446 VanDerWaalsContact O-CG 3.28Å; N442-Q446 WeakPolarHBondContact O-CG 3.33Å; N442-Q446 PolarHBondContact O-N 2.97Å; L443-Q446 PolarHBondContact O-N 3.46Å; V444-Q446 VanDerWaalsContact C-N 3.3Å; V444-Q446 PolarHBondContact O-N 3.23Å; Q446-M448 PolarHBondContact O-N 3.06Å; Q446-I449 WeakPolarHBondContact O-CB 3.32Å; Q446-I449 PolarHBondContact O-N 3.45Å; Q446-I449 VanDerWaalsContact O-N 3.14Å
447K93.8Very high94.7Very high167 Ų16766.5 Ų66.573%0.72630%0.303SS*.THydrogen-bonded Turntrans-66.8-18176.7-75.4176.3-179.9-178.20113.8L443 V444 R445 I449L443-K447 WeakPolarHBondContact O-CG 3.15Å; L443-K447 PolarHBondContact O-N 3.09Å; L443-K447 VanDerWaalsContact O-N 3.15Å; V444-K447 PolarHBondContact O-N 2.62Å; R445-K447 VanDerWaalsContact C-N 3.3Å; R445-K447 PolarHBondContact O-N 2.95Å; K447-I449 VanDerWaalsContact C-N 3.32Å
448M93.2Very high94.7Very high147 Ų14766.5 Ų66.572%0.72430%0.303SS*.THydrogen-bonded Turntrans-84.3-9.9176.4-58.7177.4177.300112.5V444 R445 Q446 K450V444-M448 HydrophobicContact CG1-CE 4.34Å; R445-M448 WeakPolarHBondContact O-CB 3.24Å; R445-M448 PolarHBondContact O-N 3.19Å; R445-M448 VanDerWaalsContact O-N 3.1Å; Q446-M448 PolarHBondContact O-N 3.06Å; M448-K450 PolarHBondContact O-N 2.88Å
449I94.4Very high94.8Very high35 Ų3566.4 Ų66.418%0.17930%0.303CS..SBendtrans-73.8120.8179.4-59.6174.5000109Q436 Q446 K447 R454Q436-I449 HydrophobicContact CG-CD1 4Å; Q446-I449 WeakPolarHBondContact O-CB 3.32Å; Q446-I449 PolarHBondContact O-N 3.45Å; Q446-I449 VanDerWaalsContact O-N 3.14Å; K447-I449 VanDerWaalsContact C-N 3.32Å; I449-R454 HydrophobicContact CG2-CG 4.39Å
450K93.5Very high94.8Very high119 Ų11966 Ų6652%0.51730%0.301SS..  trans-67.5149173.5-60-171.6-176178.80111M448 E452 H453 R454M448-K450 PolarHBondContact O-N 2.88Å; K450-E452 VanDerWaalsContact C-N 3.32Å; K450-E452 HydrophobicContact CB-CG 4.15Å; K450-E452 WeakPolarHBondContact CD-OE1 3.33Å; K450-E452 IonicContact NZ-OE1 3.87Å; K450-E452 PolarHBondContact NZ-OE1 2.81Å; K450-E452 PolarHBondContact O-N 3.34Å; K450-H453 PolarHBondContact O-N 3.46Å; K450-H453 VanDerWaalsContact O-N 3.07Å; K450-R454 PolarHBondContact O-N 3.21Å
451E90.4Very high94.9Very high140 Ų14067 Ų6765%0.65431%0.306SS*.G310 helixtrans-60.5-41.1-179.7-173.6148.7-127.600112.5H453 R454E451-H453 PolarHBondContact O-N 2.92Å; E451-H453 VanDerWaalsContact O-N 3.17Å; E451-R454 WeakPolarHBondContact O-CB 3.27Å; E451-R454 WeakPolarHBondContact O-CG 3.31Å; E451-R454 PolarHBondContact O-N 3.44Å; E451-R454 VanDerWaalsContact O-N 3.15Å; E451-R454 IonicContact OE1-CZ 3.86Å; E451-R454 IonicContact OE1-NH1 2.71Å; E451-R454 PolarHBondContact OE1-NH1 2.87Å; E451-R454 IonicContact OE1-NH2 2.8Å
452E91.6Very high94.9Very high135 Ų13566.9 Ų66.963%0.63131%0.307SS*.G310 helixtrans-65.2-14.6176.670.3-138.6-172.800114.4K450K450-E452 VanDerWaalsContact C-N 3.32Å; K450-E452 HydrophobicContact CB-CG 4.15Å; K450-E452 WeakPolarHBondContact CD-OE1 3.33Å; K450-E452 IonicContact NZ-OE1 3.87Å; K450-E452 PolarHBondContact NZ-OE1 2.81Å; K450-E452 PolarHBondContact O-N 3.34Å
453H93.7Very high94.8Very high52 Ų5272.2 Ų72.224%0.24133%0.326CS..G310 helixtrans-106.57.8179.1-55.5177.3000112.2P343 D344 N347 K450 E451 S455P343-H453 VanDerWaalsContact CB-CD2 3.47Å; P343-H453 WeakPolarHBondContact CB-CD2 3.42Å; D344-H453 WeakPolarHBondContact CA-O 3.4Å; N347-H453 VanDerWaalsContact ND2-CB 3.34Å; N347-H453 WeakPolarHBondContact ND2-CB 3.39Å; N347-H453 PolarHBondContact ND2-O 3.12Å; K450-H453 PolarHBondContact O-N 3.46Å; K450-H453 VanDerWaalsContact O-N 3.07Å; E451-H453 PolarHBondContact O-N 2.92Å; E451-H453 VanDerWaalsContact O-N 3.17Å; H453-S455 PolarHBondContact O-N 3.49Å
454R93.2Very high94.6Very high128 Ų12869.8 Ų69.848%0.48331%0.314SS..  trans-66.9136.6179.1-75.8-178178.7155.97.1110.3I449 K450 E451I449-R454 HydrophobicContact CG2-CG 4.39Å; K450-R454 PolarHBondContact O-N 3.21Å; E451-R454 WeakPolarHBondContact O-CB 3.27Å; E451-R454 WeakPolarHBondContact O-CG 3.31Å; E451-R454 PolarHBondContact O-N 3.44Å; E451-R454 VanDerWaalsContact O-N 3.15Å; E451-R454 IonicContact OE1-CZ 3.86Å; E451-R454 IonicContact OE1-NH1 2.71Å; E451-R454 PolarHBondContact OE1-NH1 2.87Å; E451-R454 IonicContact OE1-NH2 2.8Å
455S95.8Very high94.4Very high11 Ų1171.4 Ų71.48%0.07731%0.311CS..  trans-113.4142.4170.5-178.50000110.3T348 H453 Y457T348-S455 WeakPolarHBondContact OG1-CB 3.48Å; T348-S455 PolarHBondContact OG1-OG 3.13Å; H453-S455 PolarHBondContact O-N 3.49Å; S455-Y457 VanDerWaalsContact C-N 3.29Å; S455-Y457 PolarHBondContact OG-N 3.26Å; S455-Y457 VanDerWaalsContact OG-N 3.08Å; S455-Y457 PolarHBondContact OG-O 2.98Å; S455-Y457 VanDerWaalsContact OG-O 3.07Å
456Y96Very high94.1Very high119 Ų11971.3 Ų71.347%0.46733%0.333SS..SBendtrans-92.84.1172.8-52.3-55.2000112.3L435 H474 E475 F477L435-Y456 WeakPolarHBondContact CD2-O 3.41Å; Y456-H474 WeakPolarHBondContact O-CA 3.38Å; Y456-E475 PolarHBondContact O-N 3.24Å; Y456-F477 HydrophobicContact CD1-CD2 4.2Å; Y456-F477 AromaticContact CD1-CE2 3.26Å; Y456-F477 HydrophobicContact CD1-CE2 3.26Å; Y456-F477 AromaticContact CD1-CZ 3.87Å; Y456-F477 HydrophobicContact CD1-CZ 3.87Å; Y456-F477 HydrophobicContact CE1-CD2 4.35Å; Y456-F477 AromaticContact CE1-CE2 3.46Å; Y456-F477 HydrophobicContact CE1-CE2 3.46Å; Y456-F477 VanDerWaalsContact CE1-CE2 3.46Å; Y456-F477 AromaticContact CE1-CZ 3.73Å; Y456-F477 HydrophobicContact CE1-CZ 3.73Å; Y456-F477 AromaticContact CG-CE2 3.94Å; Y456-F477 HydrophobicContact CG-CE2 3.94Å
457Y98.1Very high94Very high61 Ų6174.2 Ų74.224%0.23935%0.347CS..EExtended strand (participates in β ladder)trans-120.3147.4176.1-68.8-84.4000110.3T348 L368 L372 S455 L472 L473 H474T348-Y457 WeakPolarHBondContact CA-O 3.45Å; L368-Y457 HydrophobicContact CD1-CD1 4.39Å; L372-Y457 HydrophobicContact CD1-CD1 4.04Å; L372-Y457 HydrophobicContact CD1-CE1 3.71Å; L372-Y457 HydrophobicContact CD1-CE2 4.33Å; L372-Y457 HydrophobicContact CD1-CG 4.45Å; L372-Y457 HydrophobicContact CD2-CE1 4.23Å; S455-Y457 VanDerWaalsContact C-N 3.29Å; S455-Y457 PolarHBondContact OG-N 3.26Å; S455-Y457 VanDerWaalsContact OG-N 3.08Å; S455-Y457 PolarHBondContact OG-O 2.98Å; S455-Y457 VanDerWaalsContact OG-O 3.07Å; Y457-L472 HydrophobicContact CD1-CD2 3.76Å; Y457-L472 HydrophobicContact CE1-CD2 4.1Å; Y457-L473 CarbonylContact C-O 3.5Å; Y457-L473 VanDerWaalsContact CA-O 3.29Å; Y457-L473 WeakPolarHBondContact CA-O 3.33Å; Y457-H474 HydrophobicContact CD1-CB 3.91Å; Y457-H474 AromaticContact CD1-CD2 3.91Å; Y457-H474 HydrophobicContact CE1-CB 3.63Å; Y457-H474 AromaticContact CE1-CD2 3.32Å; Y457-H474 WeakPolarHBondContact CE1-CD2 3.41Å; Y457-H474 AromaticContact CE1-CG 3.43Å; Y457-H474 VanDerWaalsContact CE1-CG 3.43Å; Y457-H474 AromaticContact CE2-CD2 3.86Å; Y457-H474 AromaticContact CZ-CD2 3.29Å; Y457-H474 AromaticContact CZ-CG 3.81Å; Y457-H474 AromaticContact CZ-NE2 3.55Å; Y457-H474 PolarHBondContact OH-CD2 2.91Å; Y457-H474 PolarHBondContact OH-NE2 3.19Å
458A98.6Very high94Very high0 Ų070.4 Ų70.40%033%0.331CS..EExtended strand (participates in β ladder)trans-141.2129.4165.400000109.5T348 L435 F438 L439 L473T348-A458 VanDerWaalsContact O-CA 3.31Å; T348-A458 WeakPolarHBondContact O-CA 3.38Å; L435-A458 HydrophobicContact CB-CB 3.87Å; L435-A458 HydrophobicContact CD2-CB 4.34Å; L435-A458 HydrophobicContact CG-CB 4.05Å; L435-A458 WeakPolarHBondContact O-CB 3.42Å; F438-A458 HydrophobicContact CD1-CB 4.36Å; L439-A458 HydrophobicContact CD1-CB 4.22Å; L439-A458 HydrophobicContact CD2-CB 4.23Å; L439-A458 HydrophobicContact CG-CB 4.14Å; A458-L473 HydrophobicContact CB-CB 4.31Å; A458-L473 HydrophobicContact CB-CD1 4.49Å; A458-L473 PolarHBondContact N-O 3.45Å; A458-L473 PolarHBondContact O-N 3.17Å
459I98.7Very high94.2Very high0 Ų064.2 Ų64.20%030%0.3CS..EExtended strand (participates in β ladder)trans-132.1137.4179.7-175.8164.5000111T348 V349 T367 L368 Y470 L471 L472T348-I459 PolarHBondContact O-N 3.22Å; V349-I459 HydrophobicContact CG1-CG2 3.79Å; T367-I459 HydrophobicContact CG2-CD1 4.08Å; L368-I459 HydrophobicContact CB-CD1 4.08Å; L368-I459 HydrophobicContact CB-CG2 3.98Å; L368-I459 HydrophobicContact CD1-CD1 4.46Å; L368-I459 HydrophobicContact CD2-CG2 4.18Å; L368-I459 HydrophobicContact CG-CG2 4.48Å; I459-Y470 HydrophobicContact CD1-CD1 4.14Å; I459-Y470 HydrophobicContact CG1-CD1 3.99Å; I459-L471 WeakPolarHBondContact CA-O 3.09Å; I459-L472 HydrophobicContact CD1-CB 4.3Å
460S98.1Very high94.4Very high2 Ų263.6 Ų63.61%0.01430%0.296CS..EExtended strand (participates in β ladder)trans-163176.1174.4-162.50000109.6C350 F438 L471C350-S460 PolarHBondContact SG-OG 3.46Å; F438-S460 VanDerWaalsContact CE1-N 3.28Å; S460-L471 PolarHBondContact N-O 3.01Å; S460-L471 PolarHBondContact O-N 3.33Å
461T97.2Very high94.7Very high22 Ų2257.9 Ų57.914%0.13527%0.271CS..EExtended strand (participates in β ladder)trans-87150.8176.948.80000112.5Q360 E468 K469 Y470Q360-T461 PolarHBondContact NE2-OG1 2.94Å; T461-E468 WeakPolarHBondContact CB-OE1 3.48Å; T461-E468 HydrophobicContact CG2-CG 3.79Å; T461-E468 WeakPolarHBondContact CG2-OE1 3.5Å; T461-E468 PolarHBondContact OG1-OE1 3.43Å; T461-K469 CarbonylContact C-O 3.51Å; T461-K469 WeakPolarHBondContact CA-O 3.45Å; T461-Y470 HydrophobicContact CG2-CD1 3.9Å; T461-Y470 HydrophobicContact CG2-CD2 4.33Å; T461-Y470 HydrophobicContact CG2-CE1 3.64Å; T461-Y470 HydrophobicContact CG2-CE2 4.09Å; T461-Y470 HydrophobicContact CG2-CG 4.24Å
462T95.5Very high95Very high7 Ų751.2 Ų51.24%0.04324%0.24CC..EExtended strand (participates in β ladder)trans-137.1150.9174.755.60000108.9F438 K469 L471 T575F438-T462 HydrophobicContact CE2-CG2 3.65Å; F438-T462 HydrophobicContact CZ-CG2 3.89Å; T462-K469 PolarHBondContact N-O 2.9Å; T462-K469 PolarHBondContact O-N 3.24Å; T462-K469 PolarHBondContact OG1-O 3.5Å; T462-L471 HydrophobicContact CG2-CB 4.13Å; T462-L471 HydrophobicContact CG2-CD2 4.43Å; T462-T575 WeakPolarHBondContact OG1-CB 3.43Å; T462-T575 WeakPolarHBondContact OG1-CG2 3.41Å; T462-T575 PolarHBondContact OG1-OG1 3.47Å
463Y93.4Very high95.4Very high133 Ų13344.8 Ų44.852%0.52221%0.21SC..EExtended strand (participates in β ladder)trans-111.6111.3-177.1-72.7-97.1000110.4Q467 E468 T572Y463-Q467 WeakPolarHBondContact CA-O 3.34Å; Y463-E468 HydrophobicContact CD1-CB 4.23Å; Y463-E468 HydrophobicContact CE1-CB 3.82Å; Y463-E468 HydrophobicContact CE1-CG 4.2Å; Y463-E468 HydrophobicContact CE2-CG 4.43Å; Y463-E468 VanDerWaalsContact OH-CD 3.3Å; Y463-E468 PolarHBondContact OH-OE1 3.05Å; Y463-T572 VanDerWaalsContact O-CG2 3.27Å; Y463-T572 WeakPolarHBondContact O-CG2 3.26Å
464V91.4Very high95.6Very high1 Ų143.4 Ų43.41%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-110.6111.4178.3179.80000109.1G466 Q467 T572 T575 T576 M579 Y580V464-G466 PolarHBondContact O-N 2.93Å; V464-Q467 PolarHBondContact N-O 3.42Å; V464-Q467 WeakPolarHBondContact O-CB 3.32Å; V464-Q467 PolarHBondContact O-N 2.98Å; V464-T572 HydrophobicContact CG2-CG2 4.37Å; V464-T575 HydrophobicContact CG2-CG2 3.68Å; V464-T576 HydrophobicContact CG1-CG2 4.22Å; V464-T576 WeakPolarHBondContact CG1-OG1 3.47Å; V464-M579 HydrophobicContact CB-SD 3.63Å; V464-M579 HydrophobicContact CG1-CE 4.48Å; V464-M579 HydrophobicContact CG1-SD 3.69Å; V464-M579 HydrophobicContact CG2-SD 3.86Å; V464-Y580 HydrophobicContact CG1-CE2 4.15Å
465Y88.1Confident95.7Very high120 Ų12037.5 Ų37.547%0.47118%0.181SC..THydrogen-bonded Turntrans51.339-178.3-52.6-54.4000113.7Q467 T576 Y580Y465-Q467 VanDerWaalsContact C-N 3.29Å; Y465-Q467 PolarHBondContact O-N 3.21Å; Y465-T576 HydrophobicContact CE2-CG2 4.16Å; Y465-Y580 AromaticContact CD2-CE2 4Å; Y465-Y580 HydrophobicContact CD2-CE2 4Å; Y465-Y580 HydrophobicContact CE2-CD2 4.33Å; Y465-Y580 AromaticContact CE2-CE2 3.88Å; Y465-Y580 HydrophobicContact CE2-CE2 3.88Å
466G88Confident95.5Very high71 Ų7137.1 Ų37.173%0.73218%0.178SC*.THydrogen-bonded Turntrans81.6-0.3-17900000115V464V464-G466 PolarHBondContact O-N 2.93Å
467Q90.4Very high94.8Very high89 Ų8935.5 Ų35.542%0.41617%0.174SC..EExtended strand (participates in β ladder)trans-95.1126.3172.3-59.2177.742.700109.8Y463 V464 Y465Y463-Q467 WeakPolarHBondContact CA-O 3.34Å; V464-Q467 PolarHBondContact N-O 3.42Å; V464-Q467 WeakPolarHBondContact O-CB 3.32Å; V464-Q467 PolarHBondContact O-N 2.98Å; Y465-Q467 VanDerWaalsContact C-N 3.29Å; Y465-Q467 PolarHBondContact O-N 3.21Å
468E95.1Very high93.1Very high86 Ų8635.3 Ų35.340%0.40218%0.18SC..EExtended strand (participates in β ladder)trans-75.3133.3171.1-174167.8-135.500110.5T461 Y463T461-E468 WeakPolarHBondContact CB-OE1 3.48Å; T461-E468 HydrophobicContact CG2-CG 3.79Å; T461-E468 WeakPolarHBondContact CG2-OE1 3.5Å; T461-E468 PolarHBondContact OG1-OE1 3.43Å; Y463-E468 HydrophobicContact CD1-CB 4.23Å; Y463-E468 HydrophobicContact CE1-CB 3.82Å; Y463-E468 HydrophobicContact CE1-CG 4.2Å; Y463-E468 HydrophobicContact CE2-CG 4.43Å; Y463-E468 VanDerWaalsContact OH-CD 3.3Å; Y463-E468 PolarHBondContact OH-OE1 3.05Å
469K97.3Very high90.9Very high17 Ų1742.1 Ų42.17%0.07422%0.217CC..EExtended strand (participates in β ladder)trans-142.6148.9178.6-60-63.8167.6-173.40110.5R416 N417 F419 T461 T462 T575 M579R416-K469 PolarHBondContact O-NZ 3.18Å; N417-K469 HydrophobicContact CB-CD 4.46Å; N417-K469 PolarHBondContact OD1-NZ 2.79Å; F419-K469 HydrophobicContact CD2-CB 4.39Å; F419-K469 HydrophobicContact CE2-CB 4.32Å; F419-K469 HydrophobicContact CE2-CD 4.08Å; F419-K469 HydrophobicContact CE2-CG 4.21Å; T461-K469 CarbonylContact C-O 3.51Å; T461-K469 WeakPolarHBondContact CA-O 3.45Å; T462-K469 PolarHBondContact N-O 2.9Å; T462-K469 PolarHBondContact O-N 3.24Å; T462-K469 PolarHBondContact OG1-O 3.5Å; K469-T575 HydrophobicContact CB-CG2 3.93Å; K469-M579 HydrophobicContact CD-CE 4.42Å; K469-M579 HydrophobicContact CG-CE 4.2Å; K469-M579 HydrophobicContact CG-SD 3.81Å
470Y98.6Very high88.7Confident22 Ų2248 Ų489%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-85.3130.7171.2-75-86.8000110.8Q360 T367 N417 F419 I459 T461Q360-Y470 PolarHBondContact NE2-OH 3.2Å; T367-Y470 HydrophobicContact CG2-CD1 4.14Å; T367-Y470 HydrophobicContact CG2-CD2 4Å; T367-Y470 HydrophobicContact CG2-CE1 4.44Å; T367-Y470 HydrophobicContact CG2-CE2 4.31Å; T367-Y470 HydrophobicContact CG2-CG 3.9Å; N417-Y470 PolarHBondContact O-N 3.3Å; F419-Y470 PolarHBondContact N-O 3.5Å; I459-Y470 HydrophobicContact CD1-CD1 4.14Å; I459-Y470 HydrophobicContact CG1-CD1 3.99Å; T461-Y470 HydrophobicContact CG2-CD1 3.9Å; T461-Y470 HydrophobicContact CG2-CD2 4.33Å; T461-Y470 HydrophobicContact CG2-CE1 3.64Å; T461-Y470 HydrophobicContact CG2-CE2 4.09Å; T461-Y470 HydrophobicContact CG2-CG 4.24Å
471L98.7Very high87.2Confident0 Ų056.2 Ų56.20%029%0.286CS..EExtended strand (participates in β ladder)trans-107125.1167.1-179.668.1000108C421 F438 I459 S460 T462 L473 Y571 L574C421-L471 HydrophobicContact CB-CD1 3.94Å; F438-L471 HydrophobicContact CE1-CB 4.14Å; F438-L471 HydrophobicContact CE1-CD2 4.43Å; F438-L471 HydrophobicContact CE1-CG 4.45Å; F438-L471 VanDerWaalsContact CE1-O 3.29Å; F438-L471 WeakPolarHBondContact CE1-O 3.29Å; F438-L471 HydrophobicContact CE2-CD2 4.36Å; F438-L471 HydrophobicContact CZ-CB 3.78Å; F438-L471 HydrophobicContact CZ-CD2 4.12Å; F438-L471 HydrophobicContact CZ-CG 4.34Å; I459-L471 WeakPolarHBondContact CA-O 3.09Å; S460-L471 PolarHBondContact N-O 3.01Å; S460-L471 PolarHBondContact O-N 3.33Å; T462-L471 HydrophobicContact CG2-CB 4.13Å; T462-L471 HydrophobicContact CG2-CD2 4.43Å; L471-L473 HydrophobicContact CD1-CD2 4.43Å; L471-L473 HydrophobicContact CD2-CD2 3.79Å; L471-L473 HydrophobicContact CD2-CG 4.46Å; L471-L473 HydrophobicContact CG-CD2 3.92Å; L471-L473 HydrophobicContact CG-CG 4.48Å; L471-Y571 HydrophobicContact CD2-CD1 4.19Å; L471-Y571 HydrophobicContact CD2-CG 4.43Å; L471-L574 HydrophobicContact CD2-CB 4.31Å
472L98.6Very high86.3Confident0 Ų061.5 Ų61.50%030%0.304CS..EExtended strand (participates in β ladder)trans-107.2111.1175.7-176.2173.7000107.6L368 Y371 L372 F419 R420 C421 Y457 I459 H474L368-L472 HydrophobicContact CD1-CD1 3.42Å; L368-L472 VanDerWaalsContact CD1-CD1 3.42Å; L368-L472 HydrophobicContact CD1-CD2 4.35Å; L368-L472 HydrophobicContact CD1-CG 3.63Å; Y371-L472 HydrophobicContact CD1-CD1 3.62Å; Y371-L472 HydrophobicContact CE1-CD1 4.13Å; Y371-L472 HydrophobicContact CG-CD1 4.1Å; L372-L472 HydrophobicContact CD2-CD1 4.28Å; L372-L472 HydrophobicContact CG-CD1 4.39Å; F419-L472 PolarHBondContact O-N 2.89Å; R420-L472 CarbonylContact C-O 3.44Å; R420-L472 WeakPolarHBondContact CA-O 3.26Å; R420-L472 HydrophobicContact CG-CD2 4.13Å; C421-L472 PolarHBondContact N-O 3.12Å; Y457-L472 HydrophobicContact CD1-CD2 3.76Å; Y457-L472 HydrophobicContact CE1-CD2 4.1Å; I459-L472 HydrophobicContact CD1-CB 4.3Å; L472-H474 HydrophobicContact CD2-CB 4.29Å
473L98.6Very high85.7Confident0 Ų061.8 Ų61.80%031%0.306CS..EExtended strand (participates in β ladder)trans-89.9132.4172.7-56.5-177.9000109.4C421 V423 F434 L435 F438 Y457 A458 L471 Y571 L574C421-L473 HydrophobicContact CB-CD2 3.68Å; C421-L473 WeakPolarHBondContact O-CA 3.44Å; V423-L473 HydrophobicContact CG2-CB 4.4Å; V423-L473 HydrophobicContact CG2-CD2 4.47Å; F434-L473 HydrophobicContact CD1-CD1 4.32Å; F434-L473 HydrophobicContact CE1-CD1 4.26Å; L435-L473 HydrophobicContact CD1-CB 4.33Å; L435-L473 HydrophobicContact CG-CB 3.91Å; L435-L473 HydrophobicContact CG-CD1 4.34Å; F438-L473 HydrophobicContact CB-CD1 3.71Å; F438-L473 HydrophobicContact CD1-CD1 3.68Å; F438-L473 HydrophobicContact CD1-CG 3.98Å; F438-L473 HydrophobicContact CE1-CG 4.45Å; F438-L473 HydrophobicContact CG-CD1 3.87Å; Y457-L473 CarbonylContact C-O 3.5Å; Y457-L473 VanDerWaalsContact CA-O 3.29Å; Y457-L473 WeakPolarHBondContact CA-O 3.33Å; A458-L473 HydrophobicContact CB-CB 4.31Å; A458-L473 HydrophobicContact CB-CD1 4.49Å; A458-L473 PolarHBondContact N-O 3.45Å; A458-L473 PolarHBondContact O-N 3.17Å; L471-L473 HydrophobicContact CD1-CD2 4.43Å; L471-L473 HydrophobicContact CD2-CD2 3.79Å; L471-L473 HydrophobicContact CD2-CG 4.46Å; L471-L473 HydrophobicContact CG-CD2 3.92Å; L471-L473 HydrophobicContact CG-CG 4.48Å; L473-Y571 HydrophobicContact CD1-CD1 4.02Å; L473-Y571 HydrophobicContact CD1-CE1 3.81Å; L473-L574 HydrophobicContact CD2-CD1 4.45Å
474H97.6Very high85.2Confident22 Ų2258.2 Ų58.210%0.10230%0.298CS..EExtended strand (participates in β ladder)trans-124.2117.3173.4176.8-147.1000109.2R420 C421 V423 Y456 Y457 L472 V476R420-H474 PolarHBondContact NH2-ND1 3.01Å; C421-H474 PolarHBondContact O-N 3.27Å; V423-H474 PolarHBondContact N-O 3.36Å; Y456-H474 WeakPolarHBondContact O-CA 3.38Å; Y457-H474 HydrophobicContact CD1-CB 3.91Å; Y457-H474 AromaticContact CD1-CD2 3.91Å; Y457-H474 HydrophobicContact CE1-CB 3.63Å; Y457-H474 AromaticContact CE1-CD2 3.32Å; Y457-H474 WeakPolarHBondContact CE1-CD2 3.41Å; Y457-H474 AromaticContact CE1-CG 3.43Å; Y457-H474 VanDerWaalsContact CE1-CG 3.43Å; Y457-H474 AromaticContact CE2-CD2 3.86Å; Y457-H474 AromaticContact CZ-CD2 3.29Å; Y457-H474 AromaticContact CZ-CG 3.81Å; Y457-H474 AromaticContact CZ-NE2 3.55Å; Y457-H474 PolarHBondContact OH-CD2 2.91Å; Y457-H474 PolarHBondContact OH-NE2 3.19Å; L472-H474 HydrophobicContact CD2-CB 4.29Å; H474-V476 PolarHBondContact O-N 3.47Å
475E95.8Very high84.8Confident5 Ų564.7 Ų64.72%0.02333%0.332CS..EExtended strand (participates in β ladder)trans-76.2112.6171.9-175.9171.8-175.500109.5K431 S432 L435 Y456 F477K431-E475 HydrophobicContact CB-CG 3.87Å; K431-E475 WeakPolarHBondContact CB-OE1 3.15Å; K431-E475 HydrophobicContact CD-CG 4.04Å; K431-E475 WeakPolarHBondContact CE-OE1 3.5Å; S432-E475 WeakPolarHBondContact CA-OE2 3.25Å; S432-E475 VanDerWaalsContact CB-OE2 3.27Å; S432-E475 WeakPolarHBondContact CB-OE2 3.44Å; S432-E475 PolarHBondContact N-OE2 2.86Å; S432-E475 VanDerWaalsContact OG-CD 3.25Å; S432-E475 PolarHBondContact OG-OE1 3.08Å; S432-E475 VanDerWaalsContact OG-OE1 3.04Å; S432-E475 PolarHBondContact OG-OE2 2.82Å; L435-E475 HydrophobicContact CD1-CB 4.09Å; L435-E475 HydrophobicContact CD2-CB 3.8Å; Y456-E475 PolarHBondContact O-N 3.24Å; E475-F477 HydrophobicContact CB-CE2 4.17Å; E475-F477 VanDerWaalsContact CD-CZ 3.42Å; E475-F477 HydrophobicContact CG-CD2 4.4Å; E475-F477 HydrophobicContact CG-CE2 3.56Å; E475-F477 HydrophobicContact CG-CZ 3.74Å; E475-F477 VanDerWaalsContact OE1-CZ 3.27Å; E475-F477 WeakPolarHBondContact OE1-CZ 3.46Å
476V92Very high84.5Confident2 Ų262 Ų621%0.01234%0.335CS..  trans-90.7124.7-176.6-176.40000110.1N422 V423 F424 H474 L483 D487N422-V476 HydrophobicContact CB-CG2 3.77Å; V423-V476 PolarHBondContact O-N 2.86Å; F424-V476 HydrophobicContact CD1-CB 3.99Å; F424-V476 HydrophobicContact CD1-CG1 4.16Å; F424-V476 HydrophobicContact CE1-CB 3.71Å; F424-V476 HydrophobicContact CE1-CG1 3.55Å; F424-V476 HydrophobicContact CE1-CG2 4.04Å; F424-V476 HydrophobicContact CE2-CG2 4.38Å; F424-V476 HydrophobicContact CZ-CB 4.16Å; F424-V476 HydrophobicContact CZ-CG1 4.16Å; F424-V476 HydrophobicContact CZ-CG2 3.94Å; H474-V476 PolarHBondContact O-N 3.47Å; V476-L483 HydrophobicContact CG1-CD2 4.33Å; V476-D487 HydrophobicContact CG1-CB 4.19Å
477F81.9Confident84.3Confident86 Ų8660.1 Ų60.138%0.37731%0.308SS..  trans-106118.1167.4-62.3-90.8000107.8Y456 E475 D479Y456-F477 HydrophobicContact CD1-CD2 4.2Å; Y456-F477 AromaticContact CD1-CE2 3.26Å; Y456-F477 HydrophobicContact CD1-CE2 3.26Å; Y456-F477 AromaticContact CD1-CZ 3.87Å; Y456-F477 HydrophobicContact CD1-CZ 3.87Å; Y456-F477 HydrophobicContact CE1-CD2 4.35Å; Y456-F477 AromaticContact CE1-CE2 3.46Å; Y456-F477 HydrophobicContact CE1-CE2 3.46Å; Y456-F477 VanDerWaalsContact CE1-CE2 3.46Å; Y456-F477 AromaticContact CE1-CZ 3.73Å; Y456-F477 HydrophobicContact CE1-CZ 3.73Å; Y456-F477 AromaticContact CG-CE2 3.94Å; Y456-F477 HydrophobicContact CG-CE2 3.94Å; E475-F477 HydrophobicContact CB-CE2 4.17Å; E475-F477 VanDerWaalsContact CD-CZ 3.42Å; E475-F477 HydrophobicContact CG-CD2 4.4Å; E475-F477 HydrophobicContact CG-CE2 3.56Å; E475-F477 HydrophobicContact CG-CZ 3.74Å; E475-F477 VanDerWaalsContact OE1-CZ 3.27Å; E475-F477 WeakPolarHBondContact OE1-CZ 3.46Å; F477-D479 PolarHBondContact O-N 3.5Å
478P61.9Low84.1Confident57 Ų5758.1 Ų58.137%0.3730%0.299SS..  trans-69.3106.3170.327.8-30.6000108.4F480 L483P478-F480 WeakPolarHBondContact CB-O 3.29Å; P478-F480 PolarHBondContact O-N 2.85Å; P478-L483 HydrophobicContact CB-CD2 4.19Å
479D51.7Low83.8Confident143 Ų14356.4 Ų56.477%0.76530%0.3SS*.SBendtrans-66.5-16.7172.2-74.2-27.8000112F477F477-D479 PolarHBondContact O-N 3.5Å
480F53.6Low83.7Confident124 Ų12455.9 Ų55.954%0.54430%0.298SS..SBendtrans-136.8164.3179.4-59.8-82.3000110.3P478 Y482P478-F480 WeakPolarHBondContact CB-O 3.29Å; P478-F480 PolarHBondContact O-N 2.85Å; F480-Y482 HydrophobicContact CB-CD1 3.83Å; F480-Y482 HydrophobicContact CB-CD2 4.5Å; F480-Y482 HydrophobicContact CB-CE1 3.59Å; F480-Y482 HydrophobicContact CB-CE2 4.28Å; F480-Y482 HydrophobicContact CB-CG 4.29Å; F480-Y482 HydrophobicContact CD1-CE1 4.38Å; F480-Y482 HydrophobicContact CG-CE1 4.06Å; F480-Y482 AromaticContact CG-CZ 3.93Å; F480-Y482 PolarHBondContact O-N 3.49Å
481D66Low83.5Confident173 Ų17355.4 Ų55.493%0.92530%0.297SS*.SBendtrans-58.7-1.8173.3-72.6-38.1000114.1
482Y77.9Confident83.5Confident133 Ų13355.4 Ų55.452%0.52230%0.297SS..SBendtrans-130.5147.5179.759.7-90.9000113.2F480 Y515F480-Y482 HydrophobicContact CB-CD1 3.83Å; F480-Y482 HydrophobicContact CB-CD2 4.5Å; F480-Y482 HydrophobicContact CB-CE1 3.59Å; F480-Y482 HydrophobicContact CB-CE2 4.28Å; F480-Y482 HydrophobicContact CB-CG 4.29Å; F480-Y482 HydrophobicContact CD1-CE1 4.38Å; F480-Y482 HydrophobicContact CG-CE1 4.06Å; F480-Y482 AromaticContact CG-CZ 3.93Å; F480-Y482 PolarHBondContact O-N 3.49Å; Y482-Y515 VanDerWaalsContact CA-OH 3.32Å; Y482-Y515 WeakPolarHBondContact CA-OH 3.29Å
483L82.1Confident83.4Confident14 Ų1455.4 Ų55.47%0.07330%0.297CS..  trans-85.5138.3173.2-63.6-177.6000110.9F424 V476 P478 D487 M488 V511 Y515 F516F424-L483 HydrophobicContact CD1-CD1 4.33Å; F424-L483 HydrophobicContact CE1-CD1 3.49Å; F424-L483 VanDerWaalsContact CE1-CD1 3.49Å; F424-L483 HydrophobicContact CE1-CD2 3.79Å; F424-L483 HydrophobicContact CE1-CG 4.32Å; F424-L483 HydrophobicContact CZ-CD1 3.91Å; V476-L483 HydrophobicContact CG1-CD2 4.33Å; P478-L483 HydrophobicContact CB-CD2 4.19Å; L483-D487 HydrophobicContact CB-CB 4.2Å; L483-D487 HydrophobicContact CD2-CB 4.2Å; L483-M488 HydrophobicContact CB-CG 4.18Å; L483-M488 HydrophobicContact CD1-CG 4.48Å; L483-V511 HydrophobicContact CD1-CG1 4.33Å; L483-Y515 HydrophobicContact CB-CD1 4.27Å; L483-Y515 HydrophobicContact CB-CE1 3.95Å; L483-Y515 HydrophobicContact CB-CE2 4.26Å; L483-Y515 HydrophobicContact CD1-CD1 4.41Å; L483-Y515 HydrophobicContact CD1-CD2 3.53Å; L483-Y515 HydrophobicContact CD1-CE2 3.76Å; L483-Y515 HydrophobicContact CD1-CG 3.88Å; L483-Y515 HydrophobicContact CG-CD2 4.07Å; L483-Y515 HydrophobicContact CG-CE1 4.37Å; L483-Y515 HydrophobicContact CG-CE2 3.77Å; L483-Y515 HydrophobicContact CG-CG 4.49Å; L483-Y515 PolarHBondContact N-OH 3.17Å; L483-F516 HydrophobicContact CD1-CE2 4.46Å
484T84.9Confident83.4Confident57 Ų5755.4 Ų55.435%0.3530%0.297SS..  trans-80.8165.117369.90000111.6A486 D487 M488T484-A486 PolarHBondContact O-N 3.37Å; T484-A486 PolarHBondContact OG1-N 2.88Å; T484-D487 WeakPolarHBondContact CB-OD2 3.43Å; T484-D487 PolarHBondContact N-OD2 2.87Å; T484-D487 WeakPolarHBondContact O-CB 3.31Å; T484-D487 PolarHBondContact O-N 2.82Å; T484-D487 PolarHBondContact OG1-N 2.96Å; T484-D487 PolarHBondContact OG1-OD2 3.07Å; T484-M488 PolarHBondContact O-N 3.32Å; T484-M488 VanDerWaalsContact O-N 3.08Å
485D82.9Confident83.4Confident138 Ų13854.3 Ų54.374%0.73829%0.292SS*.Hα-helixtrans-58.2-31.9172.6-73.6-25.3000112.2M488 A489D485-M488 PolarHBondContact O-N 3.21Å; D485-M488 VanDerWaalsContact OD1-CE 3.29Å; D485-M488 WeakPolarHBondContact OD1-CE 3.25Å; D485-A489 WeakPolarHBondContact O-CB 3.43Å; D485-A489 PolarHBondContact O-N 3.38Å
486A81.6Confident83.5Confident63 Ų6354.1 Ų54.152%0.52129%0.291SS..Hα-helixtrans-69.6-33.5175.800000112.7R420 T484 M488 A489R420-A486 PolarHBondContact NH2-O 3.07Å; T484-A486 PolarHBondContact O-N 3.37Å; T484-A486 PolarHBondContact OG1-N 2.88Å; A486-M488 VanDerWaalsContact C-N 3.33Å; A486-A489 PolarHBondContact O-N 3.24Å
487D82.2Confident83.8Confident31 Ų3154.3 Ų54.317%0.16629%0.292CS..Hα-helixtrans-73.8-27.2174.8-58.7-44.5000112.1N422 V476 L483 T484N422-D487 PolarHBondContact ND2-O 3.5Å; V476-D487 HydrophobicContact CG1-CB 4.19Å; L483-D487 HydrophobicContact CB-CB 4.2Å; L483-D487 HydrophobicContact CD2-CB 4.2Å; T484-D487 WeakPolarHBondContact CB-OD2 3.43Å; T484-D487 PolarHBondContact N-OD2 2.87Å; T484-D487 WeakPolarHBondContact O-CB 3.31Å; T484-D487 PolarHBondContact O-N 2.82Å; T484-D487 PolarHBondContact OG1-N 2.96Å; T484-D487 PolarHBondContact OG1-OD2 3.07Å
488M86.2Confident84.5Confident47 Ų4750.6 Ų50.623%0.23228%0.276CS..Hα-helixtrans-85.5-20.2176-65.8-174.4-7300112.6L483 T484 D485 A486 C490 Y515 F516L483-M488 HydrophobicContact CB-CG 4.18Å; L483-M488 HydrophobicContact CD1-CG 4.48Å; T484-M488 PolarHBondContact O-N 3.32Å; T484-M488 VanDerWaalsContact O-N 3.08Å; D485-M488 PolarHBondContact O-N 3.21Å; D485-M488 VanDerWaalsContact OD1-CE 3.29Å; D485-M488 WeakPolarHBondContact OD1-CE 3.25Å; A486-M488 VanDerWaalsContact C-N 3.33Å; M488-C490 PolarHBondContact O-N 3.38Å; M488-C490 PolarHBondContact O-SG 3.02Å; M488-Y515 HydrophobicContact SD-CD1 3.61Å; M488-Y515 HydrophobicContact SD-CE1 4.48Å; M488-Y515 HydrophobicContact SD-CG 4.17Å; M488-F516 HydrophobicContact CB-CE1 4.41Å; M488-F516 HydrophobicContact CG-CE1 4.44Å; M488-F516 HydrophobicContact CG-CZ 4.35Å
489A89.4Confident86.2Confident51 Ų5148.1 Ų48.142%0.42126%0.26SS..  trans-67.897.3178.800000111.9R420 N422 D485 A486R420-A489 VanDerWaalsContact CZ-O 3.29Å; R420-A489 PolarHBondContact NE-O 3.27Å; N422-A489 PolarHBondContact ND2-O 2.98Å; D485-A489 WeakPolarHBondContact O-CB 3.43Å; D485-A489 PolarHBondContact O-N 3.38Å; A486-A489 PolarHBondContact O-N 3.24Å
490C94.7Very high88.4Confident5 Ų543.3 Ų43.33%0.03424%0.237CC..  trans-156.8163.9174.3570000112.1K405 R420 N422 M488 I492K405-C490 VanDerWaalsContact NZ-C 3.35Å; K405-C490 PolarHBondContact NZ-O 3.37Å; R420-C490 HydrophobicContact CG-CB 4.21Å; R420-C490 WeakPolarHBondContact O-CB 3.24Å; N422-C490 HydrophobicContact CB-CB 4.02Å; N422-C490 WeakPolarHBondContact ND2-CB 3.43Å; M488-C490 PolarHBondContact O-N 3.38Å; M488-C490 PolarHBondContact O-SG 3.02Å; C490-I492 PolarHBondContact SG-O 3.04Å
491D96.1Very high90.4Very high12 Ų1239.5 Ų39.56%0.06422%0.223CC..SBendtrans-87.4-22175.3-57.3-51.7000112.6K405 R416 F419 R420 P522 A578K405-D491 WeakPolarHBondContact CE-OD1 3.48Å; K405-D491 IonicContact NZ-OD1 3.07Å; K405-D491 PolarHBondContact NZ-OD1 3.29Å; R416-D491 IonicContact NH1-OD1 3.49Å; F419-D491 WeakPolarHBondContact CA-OD2 3.31Å; F419-D491 HydrophobicContact CB-CB 4.35Å; F419-D491 HydrophobicContact CD1-CB 4.09Å; R420-D491 PolarHBondContact N-OD2 2.95Å; R420-D491 PolarHBondContact O-N 3.27Å; D491-P522 VanDerWaalsContact O-CD 3.26Å; D491-P522 WeakPolarHBondContact O-CD 3.48Å; D491-P522 VanDerWaalsContact O-CG 3.32Å; D491-P522 WeakPolarHBondContact O-CG 3.45Å; D491-A578 HydrophobicContact CB-CB 3.92Å
492I96.7Very high91.9Very high0 Ų033.2 Ų33.20%019%0.191CC..EExtended strand (participates in β ladder)trans-153.1147.2174.2-175.9166.5000111.2R420 C421 N422 C490 P522 L574 M577 A578R420-I492 PolarHBondContact O-N 3.39Å; C421-I492 VanDerWaalsContact CA-O 3.28Å; C421-I492 WeakPolarHBondContact CA-O 3.42Å; C421-I492 HydrophobicContact CB-CG2 3.5Å; N422-I492 PolarHBondContact N-O 3.38Å; N422-I492 VanDerWaalsContact N-O 3.12Å; C490-I492 PolarHBondContact SG-O 3.04Å; I492-P522 HydrophobicContact CB-CG 4.16Å; I492-P522 HydrophobicContact CG1-CG 4.17Å; I492-P522 WeakPolarHBondContact CG1-O 3.49Å; I492-L574 HydrophobicContact CD1-CB 4.07Å; I492-L574 HydrophobicContact CD1-CD2 3.53Å; I492-L574 HydrophobicContact CD1-CG 4.41Å; I492-L574 VanDerWaalsContact CD1-O 3.23Å; I492-L574 WeakPolarHBondContact CD1-O 3.04Å; I492-L574 HydrophobicContact CG1-CD2 4.17Å; I492-M577 HydrophobicContact CD1-CB 3.5Å; I492-M577 HydrophobicContact CD1-CE 4.27Å; I492-M577 HydrophobicContact CD1-SD 4.44Å; I492-A578 HydrophobicContact CB-CB 4.18Å; I492-A578 HydrophobicContact CG2-CB 4.04Å
493V97.5Very high92.7Very high0 Ų033.1 Ų33.10%019%0.191CC..EExtended strand (participates in β ladder)trans-104.6128174.2-178.40000109.7F424 L495 F516 T521 P522 C523 M524F424-V493 HydrophobicContact CD2-CG1 3.71Å; F424-V493 HydrophobicContact CE2-CG1 3.96Å; V493-L495 HydrophobicContact CG1-CD2 3.75Å; V493-L495 HydrophobicContact CG1-CG 4Å; V493-F516 HydrophobicContact CG1-CD2 4.1Å; V493-F516 HydrophobicContact CG1-CE2 3.97Å; V493-F516 HydrophobicContact CG1-CZ 4.37Å; V493-F516 HydrophobicContact CG2-CD1 3.64Å; V493-F516 HydrophobicContact CG2-CD2 4.17Å; V493-F516 HydrophobicContact CG2-CE1 3.51Å; V493-F516 HydrophobicContact CG2-CE2 4.05Å; V493-F516 HydrophobicContact CG2-CG 3.97Å; V493-F516 HydrophobicContact CG2-CZ 3.72Å; V493-T521 HydrophobicContact CG2-CG2 3.87Å; V493-P522 PolarHBondContact N-O 2.95Å; V493-C523 HydrophobicContact CB-CB 4.32Å; V493-C523 CarbonylContact O-C 3.44Å; V493-C523 WeakPolarHBondContact O-CA 3.2Å; V493-M524 PolarHBondContact O-N 2.92Å
494C97.9Very high93.3Very high0 Ų032.4 Ų32.40%019%0.187CC..EExtended strand (participates in β ladder)trans-107.7114172.3-177.20000109.1C421 N422 V423 F424 I526 L574C421-C494 VanDerWaalsContact SG-CB 3.57Å; N422-C494 PolarHBondContact O-N 2.74Å; V423-C494 WeakPolarHBondContact CA-O 3.44Å; V423-C494 HydrophobicContact CG2-CB 4.16Å; F424-C494 PolarHBondContact N-O 3.04Å; C494-I526 WeakPolarHBondContact SG-CG1 3.38Å; C494-L574 HydrophobicContact CB-CD2 4.33Å
495L97.8Very high93.9Very high0 Ų029.7 Ų29.70%017%0.171CC..EExtended strand (participates in β ladder)trans-101.8110.2179.9-61.1173.4000109F424 V493 C508 V511 F512 M524 M525 I526F424-L495 HydrophobicContact CB-CD2 4.02Å; V493-L495 HydrophobicContact CG1-CD2 3.75Å; V493-L495 HydrophobicContact CG1-CG 4Å; L495-C508 HydrophobicContact CB-CB 4.07Å; L495-V511 HydrophobicContact CD2-CG1 4.18Å; L495-F512 HydrophobicContact CD1-CB 3.88Å; L495-F512 HydrophobicContact CD1-CD2 4.24Å; L495-F512 HydrophobicContact CD1-CG 4.42Å; L495-M524 PolarHBondContact N-O 2.87Å; L495-M525 HydrophobicContact CB-CE 4.08Å; L495-M525 HydrophobicContact CB-SD 3.67Å; L495-M525 HydrophobicContact CD1-CE 3.74Å; L495-M525 HydrophobicContact CD1-SD 4.46Å; L495-M525 CarbonylContact O-C 3.57Å; L495-M525 WeakPolarHBondContact O-CA 3.34Å; L495-I526 PolarHBondContact O-N 2.83Å
496V97.9Very high94.5Very high0 Ų026.2 Ų26.20%015%0.15CC..EExtended strand (participates in β ladder)trans-108.1116.2-172.3-172.80000110.5V423 F424 G425 S429 K431 C508 I526 A528V423-V496 HydrophobicContact CG1-CG2 3.59Å; F424-V496 PolarHBondContact O-N 3.06Å; G425-V496 WeakPolarHBondContact CA-O 3.16Å; S429-V496 WeakPolarHBondContact CB-O 3.47Å; S429-V496 PolarHBondContact OG-O 2.77Å; S429-V496 VanDerWaalsContact OG-O 3.09Å; K431-V496 HydrophobicContact CG-CB 4.42Å; V496-C508 VanDerWaalsContact C-SG 3.56Å; V496-C508 PolarHBondContact O-SG 3.26Å; V496-I526 HydrophobicContact CG2-CB 4.18Å; V496-I526 HydrophobicContact CG2-CG1 4.46Å; V496-A528 HydrophobicContact CG1-CB 3.63Å
497Y97.8Very high95.2Very high6 Ų625.7 Ų25.72%0.02414%0.135CC..EExtended strand (participates in β ladder)trans-116154.2170.979.4-85000110.8V499 F505 M525 I526 A527 A528 Q537 P543 P555Y497-V499 HydrophobicContact CE2-CG1 4.08Å; Y497-F505 HydrophobicContact CD1-CD2 4.1Å; Y497-F505 HydrophobicContact CD2-CB 4.07Å; Y497-F505 HydrophobicContact CE1-CD2 4.44Å; Y497-F505 HydrophobicContact CG-CB 4.11Å; Y497-F505 HydrophobicContact CG-CD2 4.21Å; Y497-M525 HydrophobicContact CD1-CG 3.91Å; Y497-M525 HydrophobicContact CD1-SD 3.98Å; Y497-M525 HydrophobicContact CE1-CG 3.82Å; Y497-M525 HydrophobicContact CE1-SD 4.46Å; Y497-I526 VanDerWaalsContact CD1-O 3.22Å; Y497-I526 WeakPolarHBondContact CD1-O 3.38Å; Y497-I526 PolarHBondContact N-O 2.87Å; Y497-A527 HydrophobicContact CE1-CB 3.7Å; Y497-A527 HydrophobicContact CE2-CB 4.29Å; Y497-A527 VanDerWaalsContact OH-CB 3.28Å; Y497-A527 WeakPolarHBondContact OH-CB 3.46Å; Y497-A528 WeakPolarHBondContact O-CB 3.42Å; Y497-A528 PolarHBondContact O-N 3.4Å; Y497-Q537 HydrophobicContact CD2-CG 4.41Å; Y497-Q537 HydrophobicContact CE2-CG 4.09Å; Y497-P543 HydrophobicContact CE1-CB 4.12Å; Y497-P543 HydrophobicContact CE1-CG 4.34Å; Y497-P543 HydrophobicContact CE2-CG 4.18Å; Y497-P555 HydrophobicContact CE1-CB 4.39Å
498D97.5Very high95.8Very high8 Ų824.2 Ų24.24%0.04313%0.127CC..EExtended strand (participates in β ladder)trans-94.7119.7179.6175-3.4000109.7S500 N501 S504 K529D498-S500 VanDerWaalsContact CG-OG 3.27Å; D498-S500 PolarHBondContact O-N 2.83Å; D498-S500 VanDerWaalsContact O-N 3.17Å; D498-S500 WeakPolarHBondContact OD1-CA 3.27Å; D498-S500 WeakPolarHBondContact OD1-CB 3.14Å; D498-S500 PolarHBondContact OD1-N 2.89Å; D498-S500 PolarHBondContact OD1-OG 2.91Å; D498-S500 PolarHBondContact OD2-OG 2.97Å; D498-N501 HydrophobicContact CB-CB 4Å; D498-N501 PolarHBondContact O-N 2.68Å; D498-N501 VanDerWaalsContact O-N 3.13Å; D498-N501 VanDerWaalsContact O-O 3.05Å; D498-S504 PolarHBondContact N-OG 3.49Å; D498-S504 PolarHBondContact O-OG 3.39Å; D498-K529 WeakPolarHBondContact OD2-CE 3.33Å; D498-K529 IonicContact OD2-NZ 3.49Å; D498-K529 PolarHBondContact OD2-NZ 2.79Å
499V97.6Very high96.3Very high5 Ų522 Ų223%0.0312%0.116CC..THydrogen-bonded Turntrans-64-21-178.5-59.30000113.5Y497 A527 A528 K529 E534 V535Y497-V499 HydrophobicContact CE2-CG1 4.08Å; V499-A527 HydrophobicContact CG1-CB 3.67Å; V499-A528 WeakPolarHBondContact CG1-O 3.38Å; V499-A528 WeakPolarHBondContact CG2-O 3.33Å; V499-A528 PolarHBondContact N-O 3.08Å; V499-A528 VanDerWaalsContact N-O 3.11Å; V499-K529 WeakPolarHBondContact CG2-O 3.18Å; V499-E534 HydrophobicContact CB-CB 4.38Å; V499-E534 HydrophobicContact CB-CG 4.25Å; V499-V535 WeakPolarHBondContact O-CG2 3.19Å; V499-V535 PolarHBondContact O-N 2.86Å
500S97.4Very high96.5Very high42 Ų4224.9 Ų24.929%0.29412%0.119SC..THydrogen-bonded Turntrans-90.3-15178.772.30000113.5D498 V535D498-S500 VanDerWaalsContact CG-OG 3.27Å; D498-S500 PolarHBondContact O-N 2.83Å; D498-S500 VanDerWaalsContact O-N 3.17Å; D498-S500 WeakPolarHBondContact OD1-CA 3.27Å; D498-S500 WeakPolarHBondContact OD1-CB 3.14Å; D498-S500 PolarHBondContact OD1-N 2.89Å; D498-S500 PolarHBondContact OD1-OG 2.91Å; D498-S500 PolarHBondContact OD2-OG 2.97Å; S500-V535 WeakPolarHBondContact O-CG2 3.39Å
501N96.7Very high96.4Very high45 Ų4525 Ų2524%0.24112%0.12CC..  trans-102.3116.6176.8179.4-11.9000110.2D498 Y503 S504 Q537D498-N501 HydrophobicContact CB-CB 4Å; D498-N501 PolarHBondContact O-N 2.68Å; D498-N501 VanDerWaalsContact O-N 3.13Å; D498-N501 VanDerWaalsContact O-O 3.05Å; N501-Y503 PolarHBondContact O-N 3.1Å; N501-Y503 PolarHBondContact OD1-N 3.41Å; N501-S504 PolarHBondContact O-N 3.2Å; N501-S504 PolarHBondContact O-OG 3.02Å; N501-S504 VanDerWaalsContact O-OG 3.11Å; N501-Q537 PolarHBondContact O-NE2 3.49Å; N501-Q537 PolarHBondContact O-OE1 2.94Å; N501-Q537 VanDerWaalsContact O-OE1 3.13Å
502P96.4Very high96.4Very high41 Ų4125 Ų2527%0.26612%0.119SC..THydrogen-bonded Turntrans-67.8-18.1-175.526.7-32.8000114.4V535 Q537 M538P502-V535 HydrophobicContact CB-CG2 4.01Å; P502-V535 HydrophobicContact CG-CG2 4.49Å; P502-Q537 CarbonylContact O-C 3.35Å; P502-Q537 WeakPolarHBondContact O-CA 3.35Å; P502-M538 HydrophobicContact CB-CG 3.9Å; P502-M538 PolarHBondContact O-N 3.11Å
503Y95.2Very high96.3Very high130 Ų13029.3 Ų29.351%0.5114%0.138SC..THydrogen-bonded Turntrans-102.8-14.2-176.1-59.4-74.1000113.7N501 F505 E506 M538N501-Y503 PolarHBondContact O-N 3.1Å; N501-Y503 PolarHBondContact OD1-N 3.41Å; Y503-F505 VanDerWaalsContact C-N 3.26Å; Y503-F505 PolarHBondContact O-N 2.9Å; Y503-E506 WeakPolarHBondContact O-CB 3.44Å; Y503-E506 PolarHBondContact O-N 3.16Å; Y503-M538 HydrophobicContact CD1-CB 4.05Å; Y503-M538 HydrophobicContact CE1-CB 3.87Å; Y503-M538 HydrophobicContact CE1-CG 4.21Å
504S95.8Very high96.1Very high0 Ų035.3 Ų35.30%017%0.166CC..Hα-helixtrans-62.3-30.8-17368.10000113.9D498 N501 E506D498-S504 PolarHBondContact N-OG 3.49Å; D498-S504 PolarHBondContact O-OG 3.39Å; N501-S504 PolarHBondContact O-N 3.2Å; N501-S504 PolarHBondContact O-OG 3.02Å; N501-S504 VanDerWaalsContact O-OG 3.11Å; S504-E506 VanDerWaalsContact C-N 3.33Å; S504-E506 PolarHBondContact O-N 3.38Å
505F97.3Very high95.8Very high0 Ų037.5 Ų37.50%018%0.175CC..Hα-helixtrans-68.7-29.7177.2175.5-110.6000113.3Y497 Y503 Y507 C508 A509 M525 Q537 Y539 P543 F546Y497-F505 HydrophobicContact CD1-CD2 4.1Å; Y497-F505 HydrophobicContact CD2-CB 4.07Å; Y497-F505 HydrophobicContact CE1-CD2 4.44Å; Y497-F505 HydrophobicContact CG-CB 4.11Å; Y497-F505 HydrophobicContact CG-CD2 4.21Å; Y503-F505 VanDerWaalsContact C-N 3.26Å; Y503-F505 PolarHBondContact O-N 2.9Å; F505-Y507 VanDerWaalsContact C-N 3.25Å; F505-Y507 PolarHBondContact O-N 3.24Å; F505-C508 WeakPolarHBondContact O-CB 3.24Å; F505-C508 PolarHBondContact O-N 3.32Å; F505-A509 HydrophobicContact CE1-CB 4.45Å; F505-A509 HydrophobicContact CZ-CB 4.38Å; F505-A509 PolarHBondContact O-N 2.64Å; F505-M525 HydrophobicContact CD2-SD 4.19Å; F505-M525 HydrophobicContact CE2-CE 3.81Å; F505-M525 HydrophobicContact CE2-SD 3.97Å; F505-Q537 HydrophobicContact CB-CB 4.03Å; F505-Q537 HydrophobicContact CB-CG 3.98Å; F505-Q537 HydrophobicContact CD1-CB 4.26Å; F505-Q537 HydrophobicContact CG-CB 4.42Å; F505-Y539 HydrophobicContact CD1-CD1 4.19Å; F505-Y539 HydrophobicContact CD1-CG 4.01Å; F505-Y539 AromaticContact CE1-CD1 3.56Å; F505-Y539 HydrophobicContact CE1-CD1 3.56Å; F505-Y539 HydrophobicContact CE1-CE1 4.26Å; F505-Y539 AromaticContact CE1-CG 3.85Å; F505-Y539 HydrophobicContact CE1-CG 3.85Å; F505-P543 HydrophobicContact CD1-CG 4.05Å; F505-P543 HydrophobicContact CD2-CB 3.93Å; F505-P543 HydrophobicContact CD2-CG 3.77Å; F505-P543 HydrophobicContact CE1-CG 4.21Å; F505-P543 HydrophobicContact CE2-CB 3.69Å; F505-P543 HydrophobicContact CE2-CG 3.96Å; F505-P543 HydrophobicContact CG-CB 4.47Å; F505-P543 HydrophobicContact CG-CG 3.84Å; F505-P543 HydrophobicContact CZ-CB 4.04Å; F505-P543 HydrophobicContact CZ-CG 4.19Å; F505-F546 HydrophobicContact CE1-CB 4.42Å; F505-F546 HydrophobicContact CE2-CD1 4.45Å; F505-F546 HydrophobicContact CZ-CB 3.65Å; F505-F546 HydrophobicContact CZ-CD1 4Å; F505-F546 HydrophobicContact CZ-CD2 4.25Å; F505-F546 AromaticContact CZ-CG 3.72Å; F505-F546 HydrophobicContact CZ-CG 3.72Å
506E95.9Very high95.6Very high64 Ų6437.8 Ų37.830%0.29918%0.176SC..Hα-helixtrans-59.3-40.7179.1-174.7-174.8172.400111Y503 S504 A509 K510 Y539Y503-E506 WeakPolarHBondContact O-CB 3.44Å; Y503-E506 PolarHBondContact O-N 3.16Å; S504-E506 VanDerWaalsContact C-N 3.33Å; S504-E506 PolarHBondContact O-N 3.38Å; E506-A509 PolarHBondContact O-N 2.98Å; E506-K510 HydrophobicContact CG-CD 4.32Å; E506-K510 WeakPolarHBondContact O-CG 3.33Å; E506-K510 PolarHBondContact O-N 2.78Å; E506-K510 WeakPolarHBondContact OE1-CE 3.26Å; E506-K510 IonicContact OE1-NZ 3.15Å; E506-K510 PolarHBondContact OE1-NZ 2.96Å; E506-Y539 HydrophobicContact CB-CD2 4.27Å; E506-Y539 HydrophobicContact CG-CD2 4.06Å; E506-Y539 HydrophobicContact CG-CE2 4.34Å
507Y94.3Very high95.4Very high52 Ų5241.9 Ų41.920%0.20420%0.196CC..Hα-helixtrans-57.3-50.4175.5-178.4-87.9000111.6F424 G425 D426 F505 A509 K510 V511F424-Y507 HydrophobicContact CB-CE1 4.43Å; G425-Y507 VanDerWaalsContact C-CD1 3.4Å; G425-Y507 VanDerWaalsContact C-CE1 3.41Å; G425-Y507 WeakPolarHBondContact O-CE1 3.33Å; D426-Y507 HydrophobicContact CB-CG 4.17Å; F505-Y507 VanDerWaalsContact C-N 3.25Å; F505-Y507 PolarHBondContact O-N 3.24Å; Y507-A509 VanDerWaalsContact C-N 3.29Å; Y507-A509 PolarHBondContact O-N 3.31Å; Y507-K510 PolarHBondContact O-N 2.89Å; Y507-V511 HydrophobicContact CD1-CG2 4.04Å; Y507-V511 HydrophobicContact CE1-CG2 3.58Å; Y507-V511 HydrophobicContact CE2-CG2 4.37Å; Y507-V511 WeakPolarHBondContact O-CG2 3.3Å; Y507-V511 PolarHBondContact O-N 3.47Å
508C95.8Very high94.9Very high0 Ų048.8 Ų48.80%023%0.233CC..Hα-helixtrans-58.7-42.3178.8-67.20000111.8L495 V496 F505 F512 M525L495-C508 HydrophobicContact CB-CB 4.07Å; V496-C508 VanDerWaalsContact C-SG 3.56Å; V496-C508 PolarHBondContact O-SG 3.26Å; F505-C508 WeakPolarHBondContact O-CB 3.24Å; F505-C508 PolarHBondContact O-N 3.32Å; C508-F512 WeakPolarHBondContact O-CB 3.44Å; C508-F512 PolarHBondContact O-N 3.3Å; C508-M525 HydrophobicContact CB-CE 4.2Å; C508-M525 HydrophobicContact CB-SD 3.81Å
509A96.1Very high94.5Very high0 Ų050.8 Ų50.80%025%0.248CC..Hα-helixtrans-67-38.3178.400000112.5F505 E506 Y507 K513 Y539 F546F505-A509 HydrophobicContact CE1-CB 4.45Å; F505-A509 HydrophobicContact CZ-CB 4.38Å; F505-A509 PolarHBondContact O-N 2.64Å; E506-A509 PolarHBondContact O-N 2.98Å; Y507-A509 VanDerWaalsContact C-N 3.29Å; Y507-A509 PolarHBondContact O-N 3.31Å; A509-K513 WeakPolarHBondContact O-CB 3.14Å; A509-K513 VanDerWaalsContact O-CG 3.31Å; A509-K513 WeakPolarHBondContact O-CG 3.3Å; A509-K513 PolarHBondContact O-N 3.17Å; A509-Y539 HydrophobicContact CB-CD2 4.39Å; A509-Y539 HydrophobicContact CB-CE1 3.97Å; A509-Y539 HydrophobicContact CB-CE2 3.76Å; A509-F546 HydrophobicContact CB-CD2 4.44Å; A509-F546 HydrophobicContact CB-CE1 4.4Å; A509-F546 HydrophobicContact CB-CE2 3.79Å; A509-F546 HydrophobicContact CB-CZ 3.78Å
510K94.1Very high94Very high112 Ų11258.5 Ų58.549%0.48728%0.281SS..Hα-helixtrans-63.2-53.3174.8-76.6175.6179.7166.10111.2E506 Y507 F512 K513 Q514E506-K510 HydrophobicContact CG-CD 4.32Å; E506-K510 WeakPolarHBondContact O-CG 3.33Å; E506-K510 PolarHBondContact O-N 2.78Å; E506-K510 WeakPolarHBondContact OE1-CE 3.26Å; E506-K510 IonicContact OE1-NZ 3.15Å; E506-K510 PolarHBondContact OE1-NZ 2.96Å; Y507-K510 PolarHBondContact O-N 2.89Å; K510-F512 VanDerWaalsContact C-N 3.34Å; K510-F512 PolarHBondContact O-N 2.86Å; K510-K513 PolarHBondContact O-N 3.22Å; K510-Q514 WeakPolarHBondContact O-CB 3.3Å; K510-Q514 PolarHBondContact O-N 3.18Å
511V93.2Very high93.8Very high9 Ų957.7 Ų57.76%0.05527%0.274CS..Hα-helixtrans-57-47.1179.31710000111.1F424 L483 L495 Y507 K513 Q514 Y515 F516F424-V511 HydrophobicContact CB-CG1 4.4Å; F424-V511 HydrophobicContact CD1-CG1 4.09Å; F424-V511 HydrophobicContact CG-CG1 4.12Å; L483-V511 HydrophobicContact CD1-CG1 4.33Å; L495-V511 HydrophobicContact CD2-CG1 4.18Å; Y507-V511 HydrophobicContact CD1-CG2 4.04Å; Y507-V511 HydrophobicContact CE1-CG2 3.58Å; Y507-V511 HydrophobicContact CE2-CG2 4.37Å; Y507-V511 WeakPolarHBondContact O-CG2 3.3Å; Y507-V511 PolarHBondContact O-N 3.47Å; V511-K513 PolarHBondContact O-N 3.3Å; V511-Q514 PolarHBondContact O-N 3.48Å; V511-Y515 HydrophobicContact CG1-CD2 4.4Å; V511-Y515 WeakPolarHBondContact O-CD2 3.24Å; V511-Y515 PolarHBondContact O-N 2.91Å; V511-F516 HydrophobicContact CG1-CD2 4.04Å; V511-F516 HydrophobicContact CG1-CE2 3.75Å
512F95.3Very high93.7Very high11 Ų1156.6 Ų56.65%0.04827%0.269CS..Iπ-helixtrans-58.9-50.8177.2178-97.1000112.1L495 C508 K510 Q514 F516 M517 C523 F546 H550 M552L495-F512 HydrophobicContact CD1-CB 3.88Å; L495-F512 HydrophobicContact CD1-CD2 4.24Å; L495-F512 HydrophobicContact CD1-CG 4.42Å; C508-F512 WeakPolarHBondContact O-CB 3.44Å; C508-F512 PolarHBondContact O-N 3.3Å; K510-F512 VanDerWaalsContact C-N 3.34Å; K510-F512 PolarHBondContact O-N 2.86Å; F512-Q514 VanDerWaalsContact C-N 3.32Å; F512-Q514 PolarHBondContact O-N 3.42Å; F512-F516 HydrophobicContact CD2-CB 4.05Å; F512-F516 HydrophobicContact CE2-CB 4.41Å; F512-F516 CarbonylContact O-C 3.52Å; F512-F516 WeakPolarHBondContact O-CA 2.99Å; F512-F516 PolarHBondContact O-N 3.25Å; F512-M517 HydrophobicContact CE1-CB 4.11Å; F512-M517 HydrophobicContact CE1-CG 4.3Å; F512-M517 HydrophobicContact CZ-CB 4.5Å; F512-M517 PolarHBondContact O-N 2.86Å; F512-C523 HydrophobicContact CD2-CB 4.15Å; F512-C523 HydrophobicContact CE2-CB 4.09Å; F512-F546 HydrophobicContact CB-CE1 4.4Å; F512-F546 HydrophobicContact CB-CZ 4.43Å; F512-F546 AromaticContact CD1-CE1 3.86Å; F512-F546 HydrophobicContact CD1-CE1 3.86Å; F512-F546 AromaticContact CD1-CZ 3.76Å; F512-F546 HydrophobicContact CD1-CZ 3.76Å; F512-F546 HydrophobicContact CG-CE1 4.24Å; F512-F546 HydrophobicContact CG-CZ 4.4Å; F512-H550 HydrophobicContact CE1-CB 3.67Å; F512-H550 AromaticContact CE1-CG 3.55Å; F512-H550 AromaticContact CE1-ND1 3.67Å; F512-H550 HydrophobicContact CZ-CB 3.84Å; F512-M552 HydrophobicContact CD1-CE 4.28Å; F512-M552 HydrophobicContact CD2-CE 4.15Å; F512-M552 HydrophobicContact CD2-SD 3.85Å; F512-M552 HydrophobicContact CE1-CE 4.19Å; F512-M552 HydrophobicContact CE2-CE 4.06Å; F512-M552 HydrophobicContact CE2-CG 4.34Å; F512-M552 HydrophobicContact CE2-SD 3.61Å; F512-M552 HydrophobicContact CG-CE 4.26Å; F512-M552 HydrophobicContact CZ-CE 4.08Å; F512-M552 HydrophobicContact CZ-SD 4.11Å
513K94.8Very high93.6Very high91 Ų9155 Ų5540%0.39626%0.259SS..Iπ-helixtrans-63.1-39-177.2-77.6-175.4-178.9-177.20113A509 K510 V511 Y539 F546A509-K513 WeakPolarHBondContact O-CB 3.14Å; A509-K513 VanDerWaalsContact O-CG 3.31Å; A509-K513 WeakPolarHBondContact O-CG 3.3Å; A509-K513 PolarHBondContact O-N 3.17Å; K510-K513 PolarHBondContact O-N 3.22Å; V511-K513 PolarHBondContact O-N 3.3Å; K513-Y539 VanDerWaalsContact CE-OH 3.27Å; K513-Y539 WeakPolarHBondContact CE-OH 3.34Å; K513-Y539 PolarHBondContact NZ-OH 3.21Å; K513-F546 HydrophobicContact CG-CZ 4.46Å
514Q92.9Very high93.7Very high126 Ų12648.8 Ų48.859%0.58924%0.235SC*.Iπ-helixtrans-77.4-38-174.6-173.2171.8-3.900112.5K510 V511 F512K510-Q514 WeakPolarHBondContact O-CB 3.3Å; K510-Q514 PolarHBondContact O-N 3.18Å; V511-Q514 PolarHBondContact O-N 3.48Å; F512-Q514 VanDerWaalsContact C-N 3.32Å; F512-Q514 PolarHBondContact O-N 3.42Å
515Y92.8Very high93.8Very high46 Ų4648.8 Ų48.818%0.1824%0.235CC..Iπ-helixtrans-120.1-27.9-167.9-58.7-72.7000114.9Y482 L483 M488 V511Y482-Y515 VanDerWaalsContact CA-OH 3.32Å; Y482-Y515 WeakPolarHBondContact CA-OH 3.29Å; L483-Y515 HydrophobicContact CB-CD1 4.27Å; L483-Y515 HydrophobicContact CB-CE1 3.95Å; L483-Y515 HydrophobicContact CB-CE2 4.26Å; L483-Y515 HydrophobicContact CD1-CD1 4.41Å; L483-Y515 HydrophobicContact CD1-CD2 3.53Å; L483-Y515 HydrophobicContact CD1-CE2 3.76Å; L483-Y515 HydrophobicContact CD1-CG 3.88Å; L483-Y515 HydrophobicContact CG-CD2 4.07Å; L483-Y515 HydrophobicContact CG-CE1 4.37Å; L483-Y515 HydrophobicContact CG-CE2 3.77Å; L483-Y515 HydrophobicContact CG-CG 4.49Å; L483-Y515 PolarHBondContact N-OH 3.17Å; M488-Y515 HydrophobicContact SD-CD1 3.61Å; M488-Y515 HydrophobicContact SD-CE1 4.48Å; M488-Y515 HydrophobicContact SD-CG 4.17Å; V511-Y515 HydrophobicContact CG1-CD2 4.4Å; V511-Y515 WeakPolarHBondContact O-CD2 3.24Å; V511-Y515 PolarHBondContact O-N 2.91Å
516F93.4Very high93.8Very high5 Ų548.8 Ų48.82%0.02224%0.235CC..Iπ-helixtrans-119.9-9.2-168.2-57.9-66.4000115F424 L483 M488 V493 V511 F512 D518 S519F424-F516 HydrophobicContact CD2-CE2 4.39Å; F424-F516 AromaticContact CE2-CE2 3.87Å; F424-F516 HydrophobicContact CE2-CE2 3.87Å; F424-F516 AromaticContact CE2-CZ 3.81Å; F424-F516 HydrophobicContact CE2-CZ 3.81Å; F424-F516 HydrophobicContact CZ-CE2 4.08Å; F424-F516 AromaticContact CZ-CZ 3.91Å; F424-F516 HydrophobicContact CZ-CZ 3.91Å; L483-F516 HydrophobicContact CD1-CE2 4.46Å; M488-F516 HydrophobicContact CB-CE1 4.41Å; M488-F516 HydrophobicContact CG-CE1 4.44Å; M488-F516 HydrophobicContact CG-CZ 4.35Å; V493-F516 HydrophobicContact CG1-CD2 4.1Å; V493-F516 HydrophobicContact CG1-CE2 3.97Å; V493-F516 HydrophobicContact CG1-CZ 4.37Å; V493-F516 HydrophobicContact CG2-CD1 3.64Å; V493-F516 HydrophobicContact CG2-CD2 4.17Å; V493-F516 HydrophobicContact CG2-CE1 3.51Å; V493-F516 HydrophobicContact CG2-CE2 4.05Å; V493-F516 HydrophobicContact CG2-CG 3.97Å; V493-F516 HydrophobicContact CG2-CZ 3.72Å; V511-F516 HydrophobicContact CG1-CD2 4.04Å; V511-F516 HydrophobicContact CG1-CE2 3.75Å; F512-F516 HydrophobicContact CD2-CB 4.05Å; F512-F516 HydrophobicContact CE2-CB 4.41Å; F512-F516 CarbonylContact O-C 3.52Å; F512-F516 WeakPolarHBondContact O-CA 2.99Å; F512-F516 PolarHBondContact O-N 3.25Å; F516-D518 VanDerWaalsContact C-N 3.32Å; F516-D518 PolarHBondContact O-N 3.05Å; F516-S519 WeakPolarHBondContact O-CB 3.41Å; F516-S519 PolarHBondContact O-N 2.87Å; F516-S519 VanDerWaalsContact O-N 3.13Å
517M92.4Very high93.9Very high87 Ų8745.9 Ų45.943%0.42922%0.222SC..THydrogen-bonded Turntrans-58.9-41.9-178.5-178.3174.366.700112.8F512F512-M517 HydrophobicContact CE1-CB 4.11Å; F512-M517 HydrophobicContact CE1-CG 4.3Å; F512-M517 HydrophobicContact CZ-CB 4.5Å; F512-M517 PolarHBondContact O-N 2.86Å
518D88.9Confident94Very high151 Ų15143.6 Ų43.681%0.80721%0.213SC*.THydrogen-bonded Turntrans-100.45.6178.5-61.5-45.7000112.6F516F516-D518 VanDerWaalsContact C-N 3.32Å; F516-D518 PolarHBondContact O-N 3.05Å
519S88.6Confident94.1Very high49 Ų4946.4 Ų46.434%0.34323%0.226SC..  trans-79.5154.4178.4-176.10000111.9F516 T521F516-S519 WeakPolarHBondContact O-CB 3.41Å; F516-S519 PolarHBondContact O-N 2.87Å; F516-S519 VanDerWaalsContact O-N 3.13Å; S519-T521 VanDerWaalsContact C-N 3.28Å; S519-T521 PolarHBondContact OG-N 3.23Å; S519-T521 VanDerWaalsContact OG-N 3.11Å; S519-T521 PolarHBondContact OG-OG1 2.65Å
520K87Confident94Very high168 Ų16848.8 Ų48.873%0.7324%0.242SC*.SBendtrans-84.3-5.4169.9-65-178.5-176.9174.30112.6L409L409-K520 HydrophobicContact CD1-CB 4.48Å; L409-K520 HydrophobicContact CD1-CD 4.37Å
521T92.1Very high94.1Very high25 Ų2546.6 Ų46.615%0.15324%0.236CC..SBendtrans-74.4126179.9-53.50000109.8V493 S519V493-T521 HydrophobicContact CG2-CG2 3.87Å; S519-T521 VanDerWaalsContact C-N 3.28Å; S519-T521 PolarHBondContact OG-N 3.23Å; S519-T521 VanDerWaalsContact OG-N 3.11Å; S519-T521 PolarHBondContact OG-OG1 2.65Å
522P94.7Very high94.2Very high21 Ų2149.7 Ų49.714%0.13625%0.252CS..  trans-64.6145.8176.826.9-34.2000111.2D491 I492 V493 M577 P581D491-P522 VanDerWaalsContact O-CD 3.26Å; D491-P522 WeakPolarHBondContact O-CD 3.48Å; D491-P522 VanDerWaalsContact O-CG 3.32Å; D491-P522 WeakPolarHBondContact O-CG 3.45Å; I492-P522 HydrophobicContact CB-CG 4.16Å; I492-P522 HydrophobicContact CG1-CG 4.17Å; I492-P522 WeakPolarHBondContact CG1-O 3.49Å; V493-P522 PolarHBondContact N-O 2.95Å; P522-M577 HydrophobicContact CB-CB 4.4Å; P522-M577 HydrophobicContact CB-CE 3.81Å; P522-P581 HydrophobicContact CG-CB 4.11Å
523C96.1Very high94.3Very high8 Ų854.3 Ų54.35%0.05428%0.283CS..EExtended strand (participates in β ladder)trans-123.9140.5177.9-55.60000111.1V493 F512 M552 M577V493-C523 HydrophobicContact CB-CB 4.32Å; V493-C523 CarbonylContact O-C 3.44Å; V493-C523 WeakPolarHBondContact O-CA 3.2Å; F512-C523 HydrophobicContact CD2-CB 4.15Å; F512-C523 HydrophobicContact CE2-CB 4.09Å; C523-M552 HydrophobicContact CB-CG 4.4Å; C523-M552 HydrophobicContact CB-SD 3.67Å; C523-M577 WeakPolarHBondContact O-CE 3.13Å
524M96.5Very high94.3Very high0 Ų056.9 Ų56.90%030%0.296CS..EExtended strand (participates in β ladder)trans-127.2135.1173.7-173-179.1-61.300110.5V493 L495 I526 Q556 I570 K573 L574 M577 M588V493-M524 PolarHBondContact O-N 2.92Å; L495-M524 PolarHBondContact N-O 2.87Å; M524-I526 HydrophobicContact CG-CD1 4.04Å; M524-I526 HydrophobicContact SD-CD1 3.83Å; M524-Q556 HydrophobicContact CG-CG 4.31Å; M524-Q556 HydrophobicContact SD-CG 3.9Å; M524-I570 HydrophobicContact SD-CG2 4.33Å; M524-K573 HydrophobicContact CE-CB 3.89Å; M524-L574 HydrophobicContact CB-CD2 3.93Å; M524-L574 HydrophobicContact CE-CD2 3.91Å; M524-L574 HydrophobicContact CE-CG 4.37Å; M524-L574 HydrophobicContact CG-CD2 4.41Å; M524-L574 HydrophobicContact SD-CD2 3.75Å; M524-L574 HydrophobicContact SD-CG 4.25Å; M524-M577 HydrophobicContact CB-CE 4.45Å; M524-M577 HydrophobicContact CE-CE 4.43Å; M524-M577 HydrophobicContact CE-CG 4.47Å; M524-M577 HydrophobicContact CE-SD 3.25Å; M524-M577 WeakPolarHBondContact CE-SD 3.35Å; M524-M588 HydrophobicContact CE-CE 3.59Å; M524-M588 HydrophobicContact CE-SD 4.49Å
525M97.4Very high94.5Very high0 Ų053.4 Ų53.40%028%0.284CS..EExtended strand (participates in β ladder)trans-94.7129.4175.9-164.872.160.500110.2L495 Y497 F505 C508 F546 M552 P555 Q556L495-M525 HydrophobicContact CB-CE 4.08Å; L495-M525 HydrophobicContact CB-SD 3.67Å; L495-M525 HydrophobicContact CD1-CE 3.74Å; L495-M525 HydrophobicContact CD1-SD 4.46Å; L495-M525 CarbonylContact O-C 3.57Å; L495-M525 WeakPolarHBondContact O-CA 3.34Å; Y497-M525 HydrophobicContact CD1-CG 3.91Å; Y497-M525 HydrophobicContact CD1-SD 3.98Å; Y497-M525 HydrophobicContact CE1-CG 3.82Å; Y497-M525 HydrophobicContact CE1-SD 4.46Å; F505-M525 HydrophobicContact CD2-SD 4.19Å; F505-M525 HydrophobicContact CE2-CE 3.81Å; F505-M525 HydrophobicContact CE2-SD 3.97Å; C508-M525 HydrophobicContact CB-CE 4.2Å; C508-M525 HydrophobicContact CB-SD 3.81Å; M525-F546 HydrophobicContact CE-CD1 4.2Å; M525-F546 HydrophobicContact CE-CE1 4.31Å; M525-M552 HydrophobicContact CE-CE 4.39Å; M525-P555 HydrophobicContact CB-CB 4.38Å; M525-P555 HydrophobicContact CB-CG 4.44Å; M525-P555 HydrophobicContact CG-CB 4.28Å; M525-P555 HydrophobicContact CG-CG 4.33Å; M525-P555 WeakPolarHBondContact O-CA 3.47Å; M525-Q556 PolarHBondContact O-N 2.84Å
526I97.9Very high94.6Very high0 Ų059.8 Ų59.80%031%0.312CS..EExtended strand (participates in β ladder)trans-114.6123.8177.5-54.7-56.6000109.2F434 C494 L495 V496 Y497 M524 A528 Q556 F558 I570F434-I526 HydrophobicContact CD2-CG2 4.42Å; F434-I526 HydrophobicContact CE2-CG1 4.37Å; F434-I526 HydrophobicContact CE2-CG2 4.28Å; F434-I526 HydrophobicContact CZ-CG1 4.44Å; C494-I526 WeakPolarHBondContact SG-CG1 3.38Å; L495-I526 PolarHBondContact O-N 2.83Å; V496-I526 HydrophobicContact CG2-CB 4.18Å; V496-I526 HydrophobicContact CG2-CG1 4.46Å; Y497-I526 VanDerWaalsContact CD1-O 3.22Å; Y497-I526 WeakPolarHBondContact CD1-O 3.38Å; Y497-I526 PolarHBondContact N-O 2.87Å; M524-I526 HydrophobicContact CG-CD1 4.04Å; M524-I526 HydrophobicContact SD-CD1 3.83Å; I526-A528 PolarHBondContact O-N 3.48Å; I526-Q556 WeakPolarHBondContact CA-O 3.27Å; I526-Q556 HydrophobicContact CD1-CB 3.89Å; I526-Q556 HydrophobicContact CD1-CG 4.37Å; I526-F558 HydrophobicContact CG2-CB 3.7Å; I526-F558 HydrophobicContact CG2-CG 4.4Å; I526-I570 HydrophobicContact CD1-CG2 3.69Å
527A97.6Very high94.7Very high3 Ų360 Ų603%0.02531%0.313CS..EExtended strand (participates in β ladder)trans-93.486.6173.800000108.3Y497 V499 P555 Q556 F558Y497-A527 HydrophobicContact CE1-CB 3.7Å; Y497-A527 HydrophobicContact CE2-CB 4.29Å; Y497-A527 VanDerWaalsContact OH-CB 3.28Å; Y497-A527 WeakPolarHBondContact OH-CB 3.46Å; V499-A527 HydrophobicContact CG1-CB 3.67Å; A527-P555 HydrophobicContact CB-CB 4.49Å; A527-Q556 PolarHBondContact N-O 3.27Å; A527-F558 PolarHBondContact O-N 2.82Å
528A97.2Very high94.8Very high3 Ų360.9 Ų60.93%0.02532%0.318CS..EExtended strand (participates in β ladder)trans-77.6162.3-175.100000112.5S429 V496 Y497 V499 I526 S530 F558S429-A528 WeakPolarHBondContact O-CB 3.43Å; V496-A528 HydrophobicContact CG1-CB 3.63Å; Y497-A528 WeakPolarHBondContact O-CB 3.42Å; Y497-A528 PolarHBondContact O-N 3.4Å; V499-A528 WeakPolarHBondContact CG1-O 3.38Å; V499-A528 WeakPolarHBondContact CG2-O 3.33Å; V499-A528 PolarHBondContact N-O 3.08Å; V499-A528 VanDerWaalsContact N-O 3.11Å; I526-A528 PolarHBondContact O-N 3.48Å; A528-S530 VanDerWaalsContact C-N 3.26Å; A528-S530 PolarHBondContact O-N 2.9Å; A528-F558 CarbonylContact C-O 3.55Å; A528-F558 WeakPolarHBondContact CA-O 3.37Å
529K96.6Very high95.1Very high60 Ų6056.6 Ų56.626%0.26129%0.291SS..  trans57.138.6-175.4-48.9-173.4-164.3163.10112.6S428 D498 V499 D531 L532 F558S428-K529 WeakPolarHBondContact O-CE 3.5Å; S428-K529 PolarHBondContact O-NZ 3.5Å; D498-K529 WeakPolarHBondContact OD2-CE 3.33Å; D498-K529 IonicContact OD2-NZ 3.49Å; D498-K529 PolarHBondContact OD2-NZ 2.79Å; V499-K529 WeakPolarHBondContact CG2-O 3.18Å; K529-D531 VanDerWaalsContact C-OD1 3.27Å; K529-D531 WeakPolarHBondContact CA-OD1 3.47Å; K529-D531 PolarHBondContact O-N 3.33Å; K529-L532 HydrophobicContact CB-CD1 3.94Å; K529-L532 HydrophobicContact CB-CG 4.21Å; K529-L532 HydrophobicContact CD-CD1 3.99Å; K529-L532 WeakPolarHBondContact O-CB 3.27Å; K529-L532 PolarHBondContact O-N 2.96Å; K529-F558 PolarHBondContact N-O 2.87Å
530S95.8Very high95.3Very high49 Ų4958.2 Ų58.234%0.34332%0.315SS..THydrogen-bonded Turntrans-64.3-5.5-178.367.10000114.7A528 L532 F558A528-S530 VanDerWaalsContact C-N 3.26Å; A528-S530 PolarHBondContact O-N 2.9Å; S530-L532 VanDerWaalsContact C-N 3.32Å; S530-F558 PolarHBondContact N-O 3.44Å; S530-F558 VanDerWaalsContact OG-C 3.23Å; S530-F558 PolarHBondContact OG-O 2.91Å
531D94.9Very high95.6Very high67 Ų6751.1 Ų51.136%0.35829%0.286SS..THydrogen-bonded Turntrans-76.1-19168.358-62.1000113.2K529 T559 N561K529-D531 VanDerWaalsContact C-OD1 3.27Å; K529-D531 WeakPolarHBondContact CA-OD1 3.47Å; K529-D531 PolarHBondContact O-N 3.33Å; D531-T559 HydrophobicContact CB-CG2 4.38Å; D531-T559 VanDerWaalsContact CG-OG1 3.23Å; D531-T559 VanDerWaalsContact OD1-CB 3.31Å; D531-T559 WeakPolarHBondContact OD1-CB 3.42Å; D531-T559 PolarHBondContact OD1-OG1 2.86Å; D531-N561 HydrophobicContact CB-CB 4.44Å; D531-N561 VanDerWaalsContact OD2-CB 3.3Å; D531-N561 WeakPolarHBondContact OD2-CB 3.17Å; D531-N561 PolarHBondContact OD2-ND2 3.38Å
532L96.4Very high95.8Very high73 Ų7352.9 Ų52.938%0.38230%0.3SS..SBendtrans-88.9156.9176.5-57.9-178.2000111.4K529 S530 E534K529-L532 HydrophobicContact CB-CD1 3.94Å; K529-L532 HydrophobicContact CB-CG 4.21Å; K529-L532 HydrophobicContact CD-CD1 3.99Å; K529-L532 WeakPolarHBondContact O-CB 3.27Å; K529-L532 PolarHBondContact O-N 2.96Å; S530-L532 VanDerWaalsContact C-N 3.32Å; L532-E534 PolarHBondContact O-N 2.79Å
533P95.7Very high95.8Very high109 Ų10952.4 Ų52.471%0.70830%0.296SS*.PPolyproline II helixtrans-58.7123.8175.6-23.234000111.9V535P533-V535 PolarHBondContact O-N 2.92Å
534E95.4Very high95.8Very high145 Ų14555.1 Ų55.168%0.67831%0.31SS*.PPolyproline II helixtrans-68.7123.9177.7-177.7174.1-173.600110.7V499 L532V499-E534 HydrophobicContact CB-CB 4.38Å; V499-E534 HydrophobicContact CB-CG 4.25Å; L532-E534 PolarHBondContact O-N 2.79Å
535V96.3Very high95.8Very high53 Ų5358.7 Ų58.732%0.32133%0.327SS..PPolyproline II helixtrans-101.1152.2174.5-54.90000111.1V499 S500 P502 P533 Q537V499-V535 WeakPolarHBondContact O-CG2 3.19Å; V499-V535 PolarHBondContact O-N 2.86Å; S500-V535 WeakPolarHBondContact O-CG2 3.39Å; P502-V535 HydrophobicContact CB-CG2 4.01Å; P502-V535 HydrophobicContact CG-CG2 4.49Å; P533-V535 PolarHBondContact O-N 2.92Å; V535-Q537 PolarHBondContact O-N 2.98Å; V535-Q537 VanDerWaalsContact O-N 3.16Å; V535-Q537 PolarHBondContact O-NE2 3.3Å
536K95.3Very high95.8Very high179 Ų17958.8 Ų58.878%0.77833%0.327SS*.PPolyproline II helixtrans-62.8119.1175.2-176.2-178.4177-175.10109.9M538K536-M538 PolarHBondContact O-N 3.44Å
537Q96.7Very high95.6Very high11 Ų1158.8 Ų58.85%0.05133%0.327CS..PPolyproline II helixtrans-69.5125176.3-59.1-61.9-53.200110.4Y497 N501 P502 F505 V535 Y539 P543Y497-Q537 HydrophobicContact CD2-CG 4.41Å; Y497-Q537 HydrophobicContact CE2-CG 4.09Å; N501-Q537 PolarHBondContact O-NE2 3.49Å; N501-Q537 PolarHBondContact O-OE1 2.94Å; N501-Q537 VanDerWaalsContact O-OE1 3.13Å; P502-Q537 CarbonylContact O-C 3.35Å; P502-Q537 WeakPolarHBondContact O-CA 3.35Å; F505-Q537 HydrophobicContact CB-CB 4.03Å; F505-Q537 HydrophobicContact CB-CG 3.98Å; F505-Q537 HydrophobicContact CD1-CB 4.26Å; F505-Q537 HydrophobicContact CG-CB 4.42Å; V535-Q537 PolarHBondContact O-N 2.98Å; V535-Q537 VanDerWaalsContact O-N 3.16Å; V535-Q537 PolarHBondContact O-NE2 3.3Å; Q537-Y539 PolarHBondContact O-N 3.07Å; Q537-P543 HydrophobicContact CB-CG 4.29Å; Q537-P543 HydrophobicContact CG-CG 3.84Å
538M94.2Very high95.4Very high105 Ų10566.5 Ų66.552%0.51736%0.356SS..  trans-81.770-177.5-67.3-65.1-79.700110.3P502 Y503 K536P502-M538 HydrophobicContact CB-CG 3.9Å; P502-M538 PolarHBondContact O-N 3.11Å; Y503-M538 HydrophobicContact CD1-CB 4.05Å; Y503-M538 HydrophobicContact CE1-CB 3.87Å; Y503-M538 HydrophobicContact CE1-CG 4.21Å; K536-M538 PolarHBondContact O-N 3.44Å
539Y95Very high95.3Very high61 Ų6173.3 Ų73.324%0.23938%0.381CS..SBendtrans-137.1160.6175.4-169.6-105.4000110.5F505 E506 A509 K513 Q537 C541 F546F505-Y539 HydrophobicContact CD1-CD1 4.19Å; F505-Y539 HydrophobicContact CD1-CG 4.01Å; F505-Y539 AromaticContact CE1-CD1 3.56Å; F505-Y539 HydrophobicContact CE1-CD1 3.56Å; F505-Y539 HydrophobicContact CE1-CE1 4.26Å; F505-Y539 AromaticContact CE1-CG 3.85Å; F505-Y539 HydrophobicContact CE1-CG 3.85Å; E506-Y539 HydrophobicContact CB-CD2 4.27Å; E506-Y539 HydrophobicContact CG-CD2 4.06Å; E506-Y539 HydrophobicContact CG-CE2 4.34Å; A509-Y539 HydrophobicContact CB-CD2 4.39Å; A509-Y539 HydrophobicContact CB-CE1 3.97Å; A509-Y539 HydrophobicContact CB-CE2 3.76Å; K513-Y539 VanDerWaalsContact CE-OH 3.27Å; K513-Y539 WeakPolarHBondContact CE-OH 3.34Å; K513-Y539 PolarHBondContact NZ-OH 3.21Å; Q537-Y539 PolarHBondContact O-N 3.07Å; Y539-C541 PolarHBondContact O-N 2.89Å; Y539-F546 AromaticContact CE1-CD2 3.89Å; Y539-F546 HydrophobicContact CE1-CD2 3.89Å; Y539-F546 HydrophobicContact CE1-CE2 4.07Å
540G92.1Very high95.1Very high82 Ų8272.7 Ų72.785%0.84538%0.379SS*.SBendtrans-60.4-9-176.900000115.7
541C93.9Very high94.8Very high19 Ų1978.4 Ų78.413%0.12840%0.397CS..SBendtrans-154.1165.4168.962.50000110.5Y539 E545Y539-C541 PolarHBondContact O-N 2.89Å; C541-E545 HydrophobicContact CB-CB 4.19Å; C541-E545 HydrophobicContact CB-CG 4.01Å
542S95.6Very high94.6Very high63 Ų6376.2 Ų76.244%0.44139%0.385SS..  trans-69.4157.5175.1690000112L544 E545 F546S542-L544 VanDerWaalsContact C-N 3.25Å; S542-L544 PolarHBondContact O-N 2.87Å; S542-E545 PolarHBondContact O-N 2.83Å; S542-E545 VanDerWaalsContact O-N 3.13Å; S542-E545 WeakPolarHBondContact OG-CB 3.4Å; S542-E545 PolarHBondContact OG-N 2.69Å; S542-F546 WeakPolarHBondContact O-CB 3.3Å; S542-F546 PolarHBondContact O-N 2.92Å
543P96.3Very high94.3Very high11 Ų1173.8 Ų73.87%0.07137%0.374CS..Hα-helixtrans-55.1-39175.3-27.434.9000113.6Y497 F505 Q537 F546 C547 P555Y497-P543 HydrophobicContact CE1-CB 4.12Å; Y497-P543 HydrophobicContact CE1-CG 4.34Å; Y497-P543 HydrophobicContact CE2-CG 4.18Å; F505-P543 HydrophobicContact CD1-CG 4.05Å; F505-P543 HydrophobicContact CD2-CB 3.93Å; F505-P543 HydrophobicContact CD2-CG 3.77Å; F505-P543 HydrophobicContact CE1-CG 4.21Å; F505-P543 HydrophobicContact CE2-CB 3.69Å; F505-P543 HydrophobicContact CE2-CG 3.96Å; F505-P543 HydrophobicContact CG-CB 4.47Å; F505-P543 HydrophobicContact CG-CG 3.84Å; F505-P543 HydrophobicContact CZ-CB 4.04Å; F505-P543 HydrophobicContact CZ-CG 4.19Å; Q537-P543 HydrophobicContact CB-CG 4.29Å; Q537-P543 HydrophobicContact CG-CG 3.84Å; P543-F546 WeakPolarHBondContact O-CB 3.48Å; P543-F546 PolarHBondContact O-N 3.17Å; P543-C547 PolarHBondContact O-N 3.33Å; P543-C547 PolarHBondContact O-SG 2.63Å; P543-P555 HydrophobicContact CB-CG 3.85Å
544L95.5Very high94.2Very high65 Ų6571.4 Ų71.434%0.3436%0.358SS..Hα-helixtrans-65-43.9176.5179.461.3000112.4S542 F546 C547 R548 P554S542-L544 VanDerWaalsContact C-N 3.25Å; S542-L544 PolarHBondContact O-N 2.87Å; L544-F546 VanDerWaalsContact C-N 3.33Å; L544-C547 PolarHBondContact O-N 3.28Å; L544-R548 WeakPolarHBondContact O-CG 3.47Å; L544-R548 PolarHBondContact O-N 3.04Å; L544-P554 HydrophobicContact CD1-CB 3.95Å
545E95.8Very high94.2Very high75 Ų7565.7 Ų65.735%0.3533%0.334SS..Hα-helixtrans-66.6-38178-178.255.9-157.900111.4C541 S542 R548 R549C541-E545 HydrophobicContact CB-CB 4.19Å; C541-E545 HydrophobicContact CB-CG 4.01Å; S542-E545 PolarHBondContact O-N 2.83Å; S542-E545 VanDerWaalsContact O-N 3.13Å; S542-E545 WeakPolarHBondContact OG-CB 3.4Å; S542-E545 PolarHBondContact OG-N 2.69Å; E545-R548 PolarHBondContact O-N 3.18Å; E545-R549 WeakPolarHBondContact O-CB 3.39Å; E545-R549 PolarHBondContact O-N 2.79Å; E545-R549 IonicContact OE1-NH2 3.68Å
546F96.9Very high94.2Very high1 Ų163.9 Ų63.90%0.00432%0.322CS..Hα-helixtrans-59.3-50.8173-171.2-96.1000111.8F505 A509 F512 K513 M525 Y539 S542 P543 L544 R548 R549 H550 M552F505-F546 HydrophobicContact CE1-CB 4.42Å; F505-F546 HydrophobicContact CE2-CD1 4.45Å; F505-F546 HydrophobicContact CZ-CB 3.65Å; F505-F546 HydrophobicContact CZ-CD1 4Å; F505-F546 HydrophobicContact CZ-CD2 4.25Å; F505-F546 AromaticContact CZ-CG 3.72Å; F505-F546 HydrophobicContact CZ-CG 3.72Å; A509-F546 HydrophobicContact CB-CD2 4.44Å; A509-F546 HydrophobicContact CB-CE1 4.4Å; A509-F546 HydrophobicContact CB-CE2 3.79Å; A509-F546 HydrophobicContact CB-CZ 3.78Å; F512-F546 HydrophobicContact CB-CE1 4.4Å; F512-F546 HydrophobicContact CB-CZ 4.43Å; F512-F546 AromaticContact CD1-CE1 3.86Å; F512-F546 HydrophobicContact CD1-CE1 3.86Å; F512-F546 AromaticContact CD1-CZ 3.76Å; F512-F546 HydrophobicContact CD1-CZ 3.76Å; F512-F546 HydrophobicContact CG-CE1 4.24Å; F512-F546 HydrophobicContact CG-CZ 4.4Å; K513-F546 HydrophobicContact CG-CZ 4.46Å; M525-F546 HydrophobicContact CE-CD1 4.2Å; M525-F546 HydrophobicContact CE-CE1 4.31Å; Y539-F546 AromaticContact CE1-CD2 3.89Å; Y539-F546 HydrophobicContact CE1-CD2 3.89Å; Y539-F546 HydrophobicContact CE1-CE2 4.07Å; S542-F546 WeakPolarHBondContact O-CB 3.3Å; S542-F546 PolarHBondContact O-N 2.92Å; P543-F546 WeakPolarHBondContact O-CB 3.48Å; P543-F546 PolarHBondContact O-N 3.17Å; L544-F546 VanDerWaalsContact C-N 3.33Å; F546-R548 VanDerWaalsContact C-N 3.33Å; F546-R548 PolarHBondContact O-N 3.43Å; F546-R549 PolarHBondContact O-N 3.42Å; F546-H550 AromaticContact CD1-CD2 3.98Å; F546-H550 AromaticContact CD2-CD2 3.76Å; F546-H550 AromaticContact CD2-NE2 3.94Å; F546-H550 AromaticContact CE1-CD2 3.84Å; F546-H550 AromaticContact CE2-CD2 3.61Å; F546-H550 AromaticContact CE2-NE2 3.55Å; F546-H550 AromaticContact CG-CD2 3.95Å; F546-H550 AromaticContact CZ-CD2 3.65Å; F546-H550 AromaticContact CZ-NE2 3.87Å; F546-H550 PolarHBondContact O-CD2 3.13Å; F546-H550 VanDerWaalsContact O-CD2 3.24Å; F546-H550 PolarHBondContact O-N 2.99Å; F546-M552 HydrophobicContact CD1-CE 3.55Å; F546-M552 HydrophobicContact CE1-CE 3.44Å; F546-M552 VanDerWaalsContact CE1-CE 3.44Å
547C95Very high94.2Very high1 Ų159.6 Ų59.61%0.00731%0.314CS..Hα-helixtrans-58.8-43.5177.3-73.20000112.3P543 L544 H550 K551 M552 P553P543-C547 PolarHBondContact O-N 3.33Å; P543-C547 PolarHBondContact O-SG 2.63Å; L544-C547 PolarHBondContact O-N 3.28Å; C547-H550 CarbonylContact O-C 3.54Å; C547-H550 PolarHBondContact O-N 2.89Å; C547-K551 PolarHBondContact O-N 3.45Å; C547-M552 HydrophobicContact CB-CB 4.09Å; C547-M552 PolarHBondContact O-N 3.34Å; C547-P553 WeakPolarHBondContact CB-O 3.49Å; C547-P553 PolarHBondContact SG-O 2.77Å
548R93.1Very high94.2Very high164 Ų16459.7 Ų59.762%0.61932%0.315SS*.Hα-helixtrans-60.8-47.3176.9-74.7175.6-179.7163.6-0.4112L544 E545 F546 H550 K551L544-R548 WeakPolarHBondContact O-CG 3.47Å; L544-R548 PolarHBondContact O-N 3.04Å; E545-R548 PolarHBondContact O-N 3.18Å; F546-R548 VanDerWaalsContact C-N 3.33Å; F546-R548 PolarHBondContact O-N 3.43Å; R548-H550 VanDerWaalsContact C-N 3.28Å; R548-H550 PolarHBondContact O-N 3.42Å; R548-K551 PolarHBondContact O-N 2.76Å
549R94.2Very high94.2Very high146 Ų14656.1 Ų56.155%0.55130%0.299SS*.Hα-helixtrans-59.3-40.6179.3-173.6177.5-60.2174.33.5112.1E545 F546E545-R549 WeakPolarHBondContact O-CB 3.39Å; E545-R549 PolarHBondContact O-N 2.79Å; E545-R549 IonicContact OE1-NH2 3.68Å; F546-R549 PolarHBondContact O-N 3.42Å
550H92.8Very high94.2Very high47 Ų4754.1 Ų54.122%0.21829%0.294CS..THydrogen-bonded Turntrans-96.612.9-177.1-64.4-69.1000113.9F512 F546 C547 R548 M552F512-H550 HydrophobicContact CE1-CB 3.67Å; F512-H550 AromaticContact CE1-CG 3.55Å; F512-H550 AromaticContact CE1-ND1 3.67Å; F512-H550 HydrophobicContact CZ-CB 3.84Å; F546-H550 AromaticContact CD1-CD2 3.98Å; F546-H550 AromaticContact CD2-CD2 3.76Å; F546-H550 AromaticContact CD2-NE2 3.94Å; F546-H550 AromaticContact CE1-CD2 3.84Å; F546-H550 AromaticContact CE2-CD2 3.61Å; F546-H550 AromaticContact CE2-NE2 3.55Å; F546-H550 AromaticContact CG-CD2 3.95Å; F546-H550 AromaticContact CZ-CD2 3.65Å; F546-H550 AromaticContact CZ-NE2 3.87Å; F546-H550 PolarHBondContact O-CD2 3.13Å; F546-H550 VanDerWaalsContact O-CD2 3.24Å; F546-H550 PolarHBondContact O-N 2.99Å; C547-H550 CarbonylContact O-C 3.54Å; C547-H550 PolarHBondContact O-N 2.89Å; R548-H550 VanDerWaalsContact C-N 3.28Å; R548-H550 PolarHBondContact O-N 3.42Å; H550-M552 HydrophobicContact CB-CE 3.88Å; H550-M552 PolarHBondContact O-N 3.25Å
551K89.3Confident94.3Very high170 Ų17054.3 Ų54.374%0.73928%0.275SS*.THydrogen-bonded Turntrans56.628.6177.5-55.9172.1-176.31620114C547 R548C547-K551 PolarHBondContact O-N 3.45Å; R548-K551 PolarHBondContact O-N 2.76Å
552M90.7Very high94.2Very high20 Ų2055.5 Ų55.510%0.09928%0.282CS..PPolyproline II helixtrans-86.9158172-65.7-173-80.400110.9F512 C523 M525 F546 C547 H550F512-M552 HydrophobicContact CD1-CE 4.28Å; F512-M552 HydrophobicContact CD2-CE 4.15Å; F512-M552 HydrophobicContact CD2-SD 3.85Å; F512-M552 HydrophobicContact CE1-CE 4.19Å; F512-M552 HydrophobicContact CE2-CE 4.06Å; F512-M552 HydrophobicContact CE2-CG 4.34Å; F512-M552 HydrophobicContact CE2-SD 3.61Å; F512-M552 HydrophobicContact CG-CE 4.26Å; F512-M552 HydrophobicContact CZ-CE 4.08Å; F512-M552 HydrophobicContact CZ-SD 4.11Å; C523-M552 HydrophobicContact CB-CG 4.4Å; C523-M552 HydrophobicContact CB-SD 3.67Å; M525-M552 HydrophobicContact CE-CE 4.39Å; F546-M552 HydrophobicContact CD1-CE 3.55Å; F546-M552 HydrophobicContact CE1-CE 3.44Å; F546-M552 VanDerWaalsContact CE1-CE 3.44Å; C547-M552 HydrophobicContact CB-CB 4.09Å; C547-M552 PolarHBondContact O-N 3.34Å; H550-M552 HydrophobicContact CB-CE 3.88Å; H550-M552 PolarHBondContact O-N 3.25Å
553P91.4Very high93.8Very high22 Ų2257.8 Ų57.814%0.14331%0.305CS..PPolyproline II helixtrans-56.5152168.2-22.233.3000111.9C547 M577 M588C547-P553 WeakPolarHBondContact CB-O 3.49Å; C547-P553 PolarHBondContact SG-O 2.77Å; P553-M577 HydrophobicContact CG-CE 3.84Å; P553-M577 HydrophobicContact CG-SD 3.78Å; P553-M588 HydrophobicContact CB-SD 3.97Å; P553-M588 HydrophobicContact CG-SD 3.8Å
554P93.6Very high93.5Very high59 Ų5960.7 Ų60.738%0.38333%0.33SS..PPolyproline II helixtrans-54.6147.6172.1-23.533.6000111.6L544 Q556L544-P554 HydrophobicContact CD1-CB 3.95Å; P554-Q556 PolarHBondContact O-N 2.66Å; P554-Q556 PolarHBondContact O-NE2 3.04Å
555P95.6Very high93.1Very high26 Ų2663.2 Ų63.217%0.16934%0.34CS..PPolyproline II helixtrans-51.6130.5175.4-25.133.3000111.7Y497 M525 A527 P543Y497-P555 HydrophobicContact CE1-CB 4.39Å; M525-P555 HydrophobicContact CB-CB 4.38Å; M525-P555 HydrophobicContact CB-CG 4.44Å; M525-P555 HydrophobicContact CG-CB 4.28Å; M525-P555 HydrophobicContact CG-CG 4.33Å; M525-P555 WeakPolarHBondContact O-CA 3.47Å; A527-P555 HydrophobicContact CB-CB 4.49Å; P543-P555 HydrophobicContact CB-CG 3.85Å
556Q95.7Very high92.9Very high15 Ų1559.8 Ų59.87%0.0732%0.324CS..EExtended strand (participates in β ladder)trans-94.4118.9178.6-56.7-64.9-69.600109.3M524 M525 I526 A527 P554 I570 M588M524-Q556 HydrophobicContact CG-CG 4.31Å; M524-Q556 HydrophobicContact SD-CG 3.9Å; M525-Q556 PolarHBondContact O-N 2.84Å; I526-Q556 WeakPolarHBondContact CA-O 3.27Å; I526-Q556 HydrophobicContact CD1-CB 3.89Å; I526-Q556 HydrophobicContact CD1-CG 4.37Å; A527-Q556 PolarHBondContact N-O 3.27Å; P554-Q556 PolarHBondContact O-N 2.66Å; P554-Q556 PolarHBondContact O-NE2 3.04Å; Q556-I570 HydrophobicContact CB-CD1 4Å; Q556-M588 PolarHBondContact NE2-O 3.31Å
557S95.4Very high92.5Very high88 Ų8864.4 Ų64.462%0.61535%0.349SS*.EExtended strand (participates in β ladder)trans-66.7135.1174.4-55.30000110.9
558F96.4Very high92.2Very high13 Ų1368.5 Ų68.56%0.05736%0.364CS..EExtended strand (participates in β ladder)trans-146.5140.7-178.5-176.8-100.9000112.3F434 A437 I526 A527 A528 K529 S530 I570 Y571F434-F558 HydrophobicContact CB-CE1 4.32Å; F434-F558 AromaticContact CD2-CD1 3.66Å; F434-F558 HydrophobicContact CD2-CD1 3.66Å; F434-F558 HydrophobicContact CD2-CD2 4.46Å; F434-F558 AromaticContact CD2-CE1 3.54Å; F434-F558 HydrophobicContact CD2-CE1 3.54Å; F434-F558 HydrophobicContact CD2-CE2 4.34Å; F434-F558 HydrophobicContact CD2-CG 4.11Å; F434-F558 AromaticContact CD2-CZ 3.88Å; F434-F558 HydrophobicContact CD2-CZ 3.88Å; F434-F558 HydrophobicContact CE2-CD1 4.3Å; F434-F558 HydrophobicContact CE2-CD2 4.38Å; F434-F558 HydrophobicContact CE2-CE1 4.35Å; F434-F558 HydrophobicContact CE2-CE2 4.4Å; F434-F558 HydrophobicContact CE2-CG 4.3Å; F434-F558 HydrophobicContact CE2-CZ 4.37Å; F434-F558 HydrophobicContact CG-CE1 4.39Å; A437-F558 HydrophobicContact CB-CE1 4.21Å; A437-F558 HydrophobicContact CB-CZ 3.55Å; I526-F558 HydrophobicContact CG2-CB 3.7Å; I526-F558 HydrophobicContact CG2-CG 4.4Å; A527-F558 PolarHBondContact O-N 2.82Å; A528-F558 CarbonylContact C-O 3.55Å; A528-F558 WeakPolarHBondContact CA-O 3.37Å; K529-F558 PolarHBondContact N-O 2.87Å; S530-F558 PolarHBondContact N-O 3.44Å; S530-F558 VanDerWaalsContact OG-C 3.23Å; S530-F558 PolarHBondContact OG-O 2.91Å; F558-I570 HydrophobicContact CB-CD1 3.88Å; F558-I570 HydrophobicContact CD2-CD1 3.65Å; F558-I570 HydrophobicContact CG-CD1 4.17Å; F558-Y571 WeakPolarHBondContact CZ-OH 3.34Å
559T95Very high92.1Very high30 Ų3065 Ų6518%0.18436%0.355CS..  trans-142.9144.2169.2-178.30000110.6D531 N561 T562D531-T559 HydrophobicContact CB-CG2 4.38Å; D531-T559 VanDerWaalsContact CG-OG1 3.23Å; D531-T559 VanDerWaalsContact OD1-CB 3.31Å; D531-T559 WeakPolarHBondContact OD1-CB 3.42Å; D531-T559 PolarHBondContact OD1-OG1 2.86Å; T559-N561 WeakPolarHBondContact OG1-CB 3.47Å; T559-N561 PolarHBondContact OG1-N 3.31Å; T559-T562 HydrophobicContact CG2-CG2 4.32Å
560C93.4Very high92.2Very high20 Ų2058.7 Ų58.714%0.13533%0.332CS..SBendtrans-95.9-5.1168.757.40000112.2A437 N442 L443 T562A437-C560 HydrophobicContact CB-CB 4.29Å; N442-C560 CarbonylContact C-O 3.54Å; N442-C560 WeakPolarHBondContact CA-O 3.41Å; L443-C560 PolarHBondContact N-O 3.26Å; C560-T562 PolarHBondContact O-N 3.04Å
561N93.9Very high92.4Very high85 Ų8556.4 Ų56.446%0.45532%0.321SS..  trans-83.368.1179.3-169.817.5000110.5L443 D531 T559L443-N561 HydrophobicContact CB-CB 4.42Å; L443-N561 HydrophobicContact CD2-CB 4Å; D531-N561 HydrophobicContact CB-CB 4.44Å; D531-N561 VanDerWaalsContact OD2-CB 3.3Å; D531-N561 WeakPolarHBondContact OD2-CB 3.17Å; D531-N561 PolarHBondContact OD2-ND2 3.38Å; T559-N561 WeakPolarHBondContact OG1-CB 3.47Å; T559-N561 PolarHBondContact OG1-N 3.31Å
562T91.6Very high92.7Very high44 Ų4450.5 Ų50.527%0.2730%0.299SS..  trans-118.1147-178.352.60000110.6N442 T559 C560 A564N442-T562 WeakPolarHBondContact CB-O 3.35Å; N442-T562 PolarHBondContact ND2-O 3.07Å; T559-T562 HydrophobicContact CG2-CG2 4.32Å; C560-T562 PolarHBondContact O-N 3.04Å; T562-A564 VanDerWaalsContact C-N 3.31Å; T562-A564 WeakPolarHBondContact CB-O 3.35Å; T562-A564 PolarHBondContact OG1-O 3.49Å
563A87.2Confident92.9Very high112 Ų11250.7 Ų50.793%0.92630%0.299SS*.SBendtrans-64.8-37.3175.100000111.9
564A90.3Very high93.1Very high71 Ų7149.6 Ų49.659%0.58729%0.293SS*.SBendtrans-106-171.7176.100000111.6T562T562-A564 VanDerWaalsContact C-N 3.31Å; T562-A564 WeakPolarHBondContact CB-O 3.35Å; T562-A564 PolarHBondContact OG1-O 3.49Å
565E88.3Confident93.3Very high118 Ų11846.8 Ų46.855%0.55127%0.274SS*.SBendtrans-54.5139.2174.1-64.7-160176.900112R568E565-R568 IonicContact OE2-CZ 3.31Å; E565-R568 IonicContact OE2-NE 2.7Å; E565-R568 IonicContact OE2-NH2 2.76Å; E565-R568 PolarHBondContact OE2-NH2 3.1Å
566P91.9Very high93.3Very high3 Ų346.2 Ų46.22%0.01927%0.27CS..PPolyproline II helixtrans-61.6149.5175.6-25.336.6000113.2A437 N442 R568A437-P566 HydrophobicContact CB-CB 3.72Å; A437-P566 HydrophobicContact CB-CG 3.68Å; N442-P566 HydrophobicContact CB-CG 4.45Å; P566-R568 PolarHBondContact O-N 3.13Å
567N87.6Confident93.2Very high98 Ų9846.2 Ų46.252%0.52427%0.27SS..PPolyproline II helixtrans-63.3129.2179.2-176.6-11.2000111.5E569N567-E569 VanDerWaalsContact OD1-CB 3.22Å; N567-E569 WeakPolarHBondContact OD1-CB 3.47Å; N567-E569 PolarHBondContact OD1-N 2.85Å
568R89.4Confident93.2Very high88 Ų8842.4 Ų42.433%0.33225%0.245SC..  trans-93.9-0.3-178.9-56.7-168.9-170.5-167.36.4115.7E565 P566 I570 Y571 T572E565-R568 IonicContact OE2-CZ 3.31Å; E565-R568 IonicContact OE2-NE 2.7Å; E565-R568 IonicContact OE2-NH2 2.76Å; E565-R568 PolarHBondContact OE2-NH2 3.1Å; P566-R568 PolarHBondContact O-N 3.13Å; R568-I570 VanDerWaalsContact C-N 3.27Å; R568-I570 PolarHBondContact O-N 3.35Å; R568-Y571 HydrophobicContact CB-CD2 4.1Å; R568-Y571 HydrophobicContact CG-CD2 4.47Å; R568-Y571 PolarHBondContact O-N 3.49Å; R568-T572 PolarHBondContact O-N 3.26Å
569E90.9Very high93Very high91 Ų9142.4 Ų42.443%0.42525%0.245SC..Hα-helixtrans-59.4-36.7-177.7-168.4-165.5148.400112.3N567 Y571 T572 K573N567-E569 VanDerWaalsContact OD1-CB 3.22Å; N567-E569 WeakPolarHBondContact OD1-CB 3.47Å; N567-E569 PolarHBondContact OD1-N 2.85Å; E569-Y571 VanDerWaalsContact C-N 3.34Å; E569-Y571 PolarHBondContact O-N 2.79Å; E569-T572 WeakPolarHBondContact O-CB 3.23Å; E569-T572 PolarHBondContact O-N 3.11Å; E569-K573 WeakPolarHBondContact O-CG 3.24Å; E569-K573 PolarHBondContact O-N 3.41Å; E569-K573 WeakPolarHBondContact OE1-CE 3.01Å; E569-K573 IonicContact OE1-NZ 2.73Å; E569-K573 PolarHBondContact OE1-NZ 2.87Å
570I95.1Very high92.8Very high12 Ų1244.6 Ų44.66%0.06225%0.25CS..Hα-helixtrans-63.9-38.6179-62.7-174.7000111.5F434 M524 I526 Q556 F558 R568 T572 K573 L574F434-I570 HydrophobicContact CE2-CG2 4.05Å; F434-I570 HydrophobicContact CZ-CG2 4.02Å; M524-I570 HydrophobicContact SD-CG2 4.33Å; I526-I570 HydrophobicContact CD1-CG2 3.69Å; Q556-I570 HydrophobicContact CB-CD1 4Å; F558-I570 HydrophobicContact CB-CD1 3.88Å; F558-I570 HydrophobicContact CD2-CD1 3.65Å; F558-I570 HydrophobicContact CG-CD1 4.17Å; R568-I570 VanDerWaalsContact C-N 3.27Å; R568-I570 PolarHBondContact O-N 3.35Å; I570-T572 VanDerWaalsContact C-N 3.34Å; I570-T572 PolarHBondContact O-N 3.18Å; I570-K573 VanDerWaalsContact O-CB 3.29Å; I570-K573 WeakPolarHBondContact O-CB 3.49Å; I570-K573 PolarHBondContact O-N 2.89Å; I570-L574 WeakPolarHBondContact O-CG 3.15Å; I570-L574 PolarHBondContact O-N 3.01Å
571Y97.1Very high92.5Very high0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-67.3-38.3177-51.7-70.6000111.3F434 A437 F438 L471 L473 F558 R568 E569 K573 L574 T575F434-Y571 HydrophobicContact CD1-CE1 4.07Å; F434-Y571 HydrophobicContact CD2-CE1 4.27Å; F434-Y571 HydrophobicContact CE1-CD1 4.18Å; F434-Y571 AromaticContact CE1-CE1 3.56Å; F434-Y571 HydrophobicContact CE1-CE1 3.56Å; F434-Y571 AromaticContact CE2-CE1 3.78Å; F434-Y571 HydrophobicContact CE2-CE1 3.78Å; F434-Y571 HydrophobicContact CG-CE1 4.4Å; F434-Y571 AromaticContact CZ-CD1 3.95Å; F434-Y571 HydrophobicContact CZ-CD1 3.95Å; F434-Y571 AromaticContact CZ-CE1 3.39Å; F434-Y571 HydrophobicContact CZ-CE1 3.39Å; F434-Y571 PolarHBondContact O-OH 3.24Å; A437-Y571 WeakPolarHBondContact CB-OH 3.23Å; F438-Y571 HydrophobicContact CB-CD1 3.96Å; F438-Y571 HydrophobicContact CB-CD2 4.31Å; F438-Y571 HydrophobicContact CB-CE1 3.59Å; F438-Y571 HydrophobicContact CB-CE2 4Å; F438-Y571 HydrophobicContact CB-CG 4.32Å; F438-Y571 AromaticContact CD2-CD1 3.65Å; F438-Y571 HydrophobicContact CD2-CD1 3.65Å; F438-Y571 AromaticContact CD2-CD2 3.48Å; F438-Y571 HydrophobicContact CD2-CD2 3.48Å; F438-Y571 VanDerWaalsContact CD2-CD2 3.48Å; F438-Y571 HydrophobicContact CD2-CE1 4.16Å; F438-Y571 HydrophobicContact CD2-CE2 4.02Å; F438-Y571 AromaticContact CD2-CG 3.3Å; F438-Y571 HydrophobicContact CD2-CG 3.3Å; F438-Y571 HydrophobicContact CE2-CD1 4.38Å; F438-Y571 HydrophobicContact CE2-CD2 4.27Å; F438-Y571 AromaticContact CE2-CG 3.87Å; F438-Y571 HydrophobicContact CE2-CG 3.87Å; F438-Y571 AromaticContact CG-CD1 3.87Å; F438-Y571 HydrophobicContact CG-CD1 3.87Å; F438-Y571 HydrophobicContact CG-CD2 4.27Å; F438-Y571 HydrophobicContact CG-CE1 4.04Å; F438-Y571 HydrophobicContact CG-CE2 4.45Å; F438-Y571 HydrophobicContact CG-CG 4.01Å; F438-Y571 PolarHBondContact N-OH 3.41Å; L471-Y571 HydrophobicContact CD2-CD1 4.19Å; L471-Y571 HydrophobicContact CD2-CG 4.43Å; L473-Y571 HydrophobicContact CD1-CD1 4.02Å; L473-Y571 HydrophobicContact CD1-CE1 3.81Å; F558-Y571 WeakPolarHBondContact CZ-OH 3.34Å; R568-Y571 HydrophobicContact CB-CD2 4.1Å; R568-Y571 HydrophobicContact CG-CD2 4.47Å; R568-Y571 PolarHBondContact O-N 3.49Å; E569-Y571 VanDerWaalsContact C-N 3.34Å; E569-Y571 PolarHBondContact O-N 2.79Å; Y571-K573 VanDerWaalsContact C-N 3.28Å; Y571-K573 PolarHBondContact O-N 3.36Å; Y571-L574 HydrophobicContact CD1-CD1 4.33Å; Y571-L574 WeakPolarHBondContact O-CB 3.22Å; Y571-L574 PolarHBondContact O-N 2.64Å; Y571-L574 VanDerWaalsContact O-N 3.16Å; Y571-T575 PolarHBondContact O-N 2.06Å; Y571-T575 PolarHBondContact O-OG1 3.14Å
572T95.4Very high91.8Very high46 Ų4645.7 Ų45.728%0.28225%0.254SS..Hα-helixtrans-60.9-39.8173-57.40000111.4Y463 V464 R568 E569 I570 T575 T576Y463-T572 VanDerWaalsContact O-CG2 3.27Å; Y463-T572 WeakPolarHBondContact O-CG2 3.26Å; V464-T572 HydrophobicContact CG2-CG2 4.37Å; R568-T572 PolarHBondContact O-N 3.26Å; E569-T572 WeakPolarHBondContact O-CB 3.23Å; E569-T572 PolarHBondContact O-N 3.11Å; I570-T572 VanDerWaalsContact C-N 3.34Å; I570-T572 PolarHBondContact O-N 3.18Å; T572-T575 PolarHBondContact O-N 3.18Å; T572-T576 WeakPolarHBondContact O-CB 3.46Å; T572-T576 PolarHBondContact O-N 2.99Å; T572-T576 PolarHBondContact O-OG1 2.85Å
573K95.1Very high90.8Very high23 Ų2346.1 Ų46.110%0.126%0.262CS..Hα-helixtrans-63-42.9173.9-77.5175.7-177.8167.90112.1M524 E569 I570 Y571 T576 M577 M588M524-K573 HydrophobicContact CE-CB 3.89Å; E569-K573 WeakPolarHBondContact O-CG 3.24Å; E569-K573 PolarHBondContact O-N 3.41Å; E569-K573 WeakPolarHBondContact OE1-CE 3.01Å; E569-K573 IonicContact OE1-NZ 2.73Å; E569-K573 PolarHBondContact OE1-NZ 2.87Å; I570-K573 VanDerWaalsContact O-CB 3.29Å; I570-K573 WeakPolarHBondContact O-CB 3.49Å; I570-K573 PolarHBondContact O-N 2.89Å; Y571-K573 VanDerWaalsContact C-N 3.28Å; Y571-K573 PolarHBondContact O-N 3.36Å; K573-T576 PolarHBondContact O-N 3.27Å; K573-M577 PolarHBondContact O-N 3.44Å; K573-M588 HydrophobicContact CB-CE 3.31Å; K573-M588 HydrophobicContact CD-CE 3.75Å; K573-M588 HydrophobicContact CG-CE 3.43Å; K573-M588 VanDerWaalsContact CG-CE 3.43Å
574L97Very high89.3Confident0 Ų049.4 Ų49.40%025%0.25CS..Hα-helixtrans-61.1-50.5175.2-70.5172.4000111.1F434 L471 L473 I492 C494 M524 I570 Y571 T576 M577 A578F434-L574 HydrophobicContact CE1-CD1 3.98Å; F434-L574 HydrophobicContact CZ-CD1 3.79Å; L471-L574 HydrophobicContact CD2-CB 4.31Å; L473-L574 HydrophobicContact CD2-CD1 4.45Å; I492-L574 HydrophobicContact CD1-CB 4.07Å; I492-L574 HydrophobicContact CD1-CD2 3.53Å; I492-L574 HydrophobicContact CD1-CG 4.41Å; I492-L574 VanDerWaalsContact CD1-O 3.23Å; I492-L574 WeakPolarHBondContact CD1-O 3.04Å; I492-L574 HydrophobicContact CG1-CD2 4.17Å; C494-L574 HydrophobicContact CB-CD2 4.33Å; M524-L574 HydrophobicContact CB-CD2 3.93Å; M524-L574 HydrophobicContact CE-CD2 3.91Å; M524-L574 HydrophobicContact CE-CG 4.37Å; M524-L574 HydrophobicContact CG-CD2 4.41Å; M524-L574 HydrophobicContact SD-CD2 3.75Å; M524-L574 HydrophobicContact SD-CG 4.25Å; I570-L574 WeakPolarHBondContact O-CG 3.15Å; I570-L574 PolarHBondContact O-N 3.01Å; Y571-L574 HydrophobicContact CD1-CD1 4.33Å; Y571-L574 WeakPolarHBondContact O-CB 3.22Å; Y571-L574 PolarHBondContact O-N 2.64Å; Y571-L574 VanDerWaalsContact O-N 3.16Å; L574-T576 VanDerWaalsContact C-N 3.31Å; L574-T576 PolarHBondContact O-N 2.85Å; L574-M577 PolarHBondContact O-N 3.17Å; L574-A578 PolarHBondContact O-N 2.83Å
575T96.8Very high87.6Confident0 Ų048.1 Ų48.10%023%0.234CC..Hα-helixtrans-59.8-41.9177.3-48.60000111.6F419 T462 V464 K469 Y571 T572 M577 A578 M579F419-T575 HydrophobicContact CD2-CG2 4.13Å; T462-T575 WeakPolarHBondContact OG1-CB 3.43Å; T462-T575 WeakPolarHBondContact OG1-CG2 3.41Å; T462-T575 PolarHBondContact OG1-OG1 3.47Å; V464-T575 HydrophobicContact CG2-CG2 3.68Å; K469-T575 HydrophobicContact CB-CG2 3.93Å; Y571-T575 PolarHBondContact O-N 2.06Å; Y571-T575 PolarHBondContact O-OG1 3.14Å; T572-T575 PolarHBondContact O-N 3.18Å; T575-M577 VanDerWaalsContact C-N 3.31Å; T575-M577 PolarHBondContact O-N 3.28Å; T575-A578 PolarHBondContact O-N 3.39Å; T575-M579 HydrophobicContact CG2-CG 4.4Å; T575-M579 HydrophobicContact CG2-SD 4.22Å; T575-M579 WeakPolarHBondContact O-CG 3.23Å; T575-M579 PolarHBondContact O-N 3.32Å
576T95.1Very high85.2Confident13 Ų1353.3 Ų53.38%0.0825%0.248CC..Hα-helixtrans-59.9-43.1177.9-57.20000111.4V464 Y465 T572 K573 L574 M579 Y580 L585V464-T576 HydrophobicContact CG1-CG2 4.22Å; V464-T576 WeakPolarHBondContact CG1-OG1 3.47Å; Y465-T576 HydrophobicContact CE2-CG2 4.16Å; T572-T576 WeakPolarHBondContact O-CB 3.46Å; T572-T576 PolarHBondContact O-N 2.99Å; T572-T576 PolarHBondContact O-OG1 2.85Å; K573-T576 PolarHBondContact O-N 3.27Å; L574-T576 VanDerWaalsContact C-N 3.31Å; L574-T576 PolarHBondContact O-N 2.85Å; T576-M579 PolarHBondContact O-N 3.49Å; T576-Y580 HydrophobicContact CG2-CD2 4.2Å; T576-Y580 WeakPolarHBondContact O-CD2 3.27Å; T576-Y580 PolarHBondContact O-N 2.89Å; T576-L585 HydrophobicContact CG2-CD1 4.14Å; T576-L585 HydrophobicContact CG2-CD2 4.31Å
577M94.6Very high82.9Confident15 Ų1554 Ų547%0.07425%0.253CS..Hα-helixtrans-68.9-36.2177.5-79.3178.459.900112.5I492 P522 C523 M524 P553 K573 L574 T575 Y580 P581 L585 M588I492-M577 HydrophobicContact CD1-CB 3.5Å; I492-M577 HydrophobicContact CD1-CE 4.27Å; I492-M577 HydrophobicContact CD1-SD 4.44Å; P522-M577 HydrophobicContact CB-CB 4.4Å; P522-M577 HydrophobicContact CB-CE 3.81Å; C523-M577 WeakPolarHBondContact O-CE 3.13Å; M524-M577 HydrophobicContact CB-CE 4.45Å; M524-M577 HydrophobicContact CE-CE 4.43Å; M524-M577 HydrophobicContact CE-CG 4.47Å; M524-M577 HydrophobicContact CE-SD 3.25Å; M524-M577 WeakPolarHBondContact CE-SD 3.35Å; P553-M577 HydrophobicContact CG-CE 3.84Å; P553-M577 HydrophobicContact CG-SD 3.78Å; K573-M577 PolarHBondContact O-N 3.44Å; L574-M577 PolarHBondContact O-N 3.17Å; T575-M577 VanDerWaalsContact C-N 3.31Å; T575-M577 PolarHBondContact O-N 3.28Å; M577-Y580 CarbonylContact O-C 3.58Å; M577-P581 WeakPolarHBondContact O-CA 3.27Å; M577-L585 HydrophobicContact CG-CD1 3.54Å; M577-L585 HydrophobicContact SD-CD1 4.46Å; M577-M588 HydrophobicContact CG-CE 4.3Å; M577-M588 HydrophobicContact CG-SD 4.36Å; M577-M588 HydrophobicContact SD-CE 3.84Å; M577-M588 HydrophobicContact SD-SD 3.73Å
578A95Very high80.9Confident9 Ų950.1 Ų50.17%0.07423%0.232CC..Hα-helixtrans-65.4-40.817400000112.4F419 D491 I492 L574 T575F419-A578 HydrophobicContact CB-CB 3.9Å; F419-A578 HydrophobicContact CD1-CB 3.81Å; F419-A578 HydrophobicContact CG-CB 3.96Å; D491-A578 HydrophobicContact CB-CB 3.92Å; I492-A578 HydrophobicContact CB-CB 4.18Å; I492-A578 HydrophobicContact CG2-CB 4.04Å; L574-A578 PolarHBondContact O-N 2.83Å; T575-A578 PolarHBondContact O-N 3.39Å
579M92.8Very high78.7Confident12 Ų1248.1 Ų48.16%0.05923%0.231CC..Hα-helixtrans-69.1-37.7176.4-72.2178.875.200112.8F419 V464 K469 T575 T576 P581F419-M579 HydrophobicContact CD2-CG 4.17Å; F419-M579 HydrophobicContact CE1-CG 4.12Å; F419-M579 HydrophobicContact CE2-CG 3.46Å; F419-M579 VanDerWaalsContact CE2-CG 3.46Å; F419-M579 HydrophobicContact CE2-SD 4.32Å; F419-M579 HydrophobicContact CZ-CB 4.36Å; F419-M579 HydrophobicContact CZ-CG 3.45Å; F419-M579 VanDerWaalsContact CZ-CG 3.45Å; V464-M579 HydrophobicContact CB-SD 3.63Å; V464-M579 HydrophobicContact CG1-CE 4.48Å; V464-M579 HydrophobicContact CG1-SD 3.69Å; V464-M579 HydrophobicContact CG2-SD 3.86Å; K469-M579 HydrophobicContact CD-CE 4.42Å; K469-M579 HydrophobicContact CG-CE 4.2Å; K469-M579 HydrophobicContact CG-SD 3.81Å; T575-M579 HydrophobicContact CG2-CG 4.4Å; T575-M579 HydrophobicContact CG2-SD 4.22Å; T575-M579 WeakPolarHBondContact O-CG 3.23Å; T575-M579 PolarHBondContact O-N 3.32Å; T576-M579 PolarHBondContact O-N 3.49Å; M579-P581 VanDerWaalsContact C-CD 3.45Å; M579-P581 WeakPolarHBondContact O-CD 3.27Å
580Y90.8Very high76.4Confident77 Ų7749.9 Ų49.930%0.30225%0.248SC..  trans-126.962.9-173-54.2-74.1000112.2V464 Y465 T576 M577 H582 A583V464-Y580 HydrophobicContact CG1-CE2 4.15Å; Y465-Y580 AromaticContact CD2-CE2 4Å; Y465-Y580 HydrophobicContact CD2-CE2 4Å; Y465-Y580 HydrophobicContact CE2-CD2 4.33Å; Y465-Y580 AromaticContact CE2-CE2 3.88Å; Y465-Y580 HydrophobicContact CE2-CE2 3.88Å; T576-Y580 HydrophobicContact CG2-CD2 4.2Å; T576-Y580 WeakPolarHBondContact O-CD2 3.27Å; T576-Y580 PolarHBondContact O-N 2.89Å; M577-Y580 CarbonylContact O-C 3.58Å; Y580-H582 PolarHBondContact O-N 3.29Å; Y580-A583 WeakPolarHBondContact O-CB 3.32Å; Y580-A583 PolarHBondContact O-N 3.25Å
581P87.2Confident73.8Confident41 Ų4152 Ų5227%0.26626%0.263SS..THydrogen-bonded Turntrans-63.3-20.1-174.225.2-34.8000113.4L409 P522 M577 M579L409-P581 HydrophobicContact CD2-CB 4.44Å; L409-P581 HydrophobicContact CD2-CG 3.61Å; P522-P581 HydrophobicContact CG-CB 4.11Å; M577-P581 WeakPolarHBondContact O-CA 3.27Å; M579-P581 VanDerWaalsContact C-CD 3.45Å; M579-P581 WeakPolarHBondContact O-CD 3.27Å
582H78.3Confident71.3Confident86 Ų8657.6 Ų57.640%0.39829%0.293SS..THydrogen-bonded Turntrans-87.9-18.3177.8-51.6-68.2000113.9L409 K412 Y580 R584L409-H582 PolarHBondContact O-CE1 3.34Å; L409-H582 PolarHBondContact O-NE2 2.95Å; K412-H582 HydrophobicContact CD-CB 4.42Å; Y580-H582 PolarHBondContact O-N 3.29Å; H582-R584 PolarHBondContact O-N 3.25Å; H582-R584 VanDerWaalsContact O-N 3.16Å
583A70.8Confident68.7Low53 Ų5366 Ų6644%0.43832%0.319SS..  trans-73.1110.7-179.400000108.2Y580 L585Y580-A583 WeakPolarHBondContact O-CB 3.32Å; Y580-A583 PolarHBondContact O-N 3.25Å; A583-L585 PolarHBondContact O-N 3.16Å
584R56.9Low66.3Low181 Ų18166.1 Ų66.168%0.68332%0.323SS*.  trans-68.192.1164.3-71.5-170.1-176.7172.98.1107H582 R586H582-R584 PolarHBondContact O-N 3.25Å; H582-R584 VanDerWaalsContact O-N 3.16Å; R584-R586 HydrophobicContact CB-CG 4.36Å; R584-R586 PolarHBondContact O-N 2.94Å
585L53.1Low63.7Low45 Ų4571.8 Ų71.824%0.23636%0.358CS..  trans-62.584.1170.9-65.7168.8000107.7T576 M577 A583 C587 M588T576-L585 HydrophobicContact CG2-CD1 4.14Å; T576-L585 HydrophobicContact CG2-CD2 4.31Å; M577-L585 HydrophobicContact CG-CD1 3.54Å; M577-L585 HydrophobicContact SD-CD1 4.46Å; A583-L585 PolarHBondContact O-N 3.16Å; L585-C587 PolarHBondContact O-N 2.56Å; L585-C587 VanDerWaalsContact O-N 3.1Å; L585-M588 HydrophobicContact CB-CG 3.71Å; L585-M588 HydrophobicContact CB-SD 3.86Å; L585-M588 HydrophobicContact CD1-CE 3.96Å; L585-M588 HydrophobicContact CD1-CG 4.14Å; L585-M588 HydrophobicContact CD1-SD 3.55Å; L585-M588 VanDerWaalsContact CD1-SD 3.55Å; L585-M588 HydrophobicContact CG-SD 4.36Å
586R39.5Very low61.4Low226 Ų22676.2 Ų76.285%0.85338%0.377SS*.SBendtrans-68.6-5.8-171.2-87.8-174178.2-176.50.7113.7R584R584-R586 HydrophobicContact CB-CG 4.36Å; R584-R586 PolarHBondContact O-N 2.94Å
587C42.3Very low59.1Low18 Ų1876.7 Ų76.712%0.12238%0.381CS..  trans-148.2112.7156.2163.80000109.9L585 C589 C594L585-C587 PolarHBondContact O-N 2.56Å; L585-C587 VanDerWaalsContact O-N 3.1Å; C587-C589 VanDerWaalsContact C-N 3.3Å; C587-C589 HydrophobicContact CB-CB 4.41Å; C587-C589 WeakPolarHBondContact CB-SG 3.26Å; C587-C589 VanDerWaalsContact SG-CA 3.6Å; C587-C589 WeakPolarHBondContact SG-CB 3.35Å; C587-C589 PolarHBondContact SG-N 2.75Å; C587-C589 PolarHBondContact SG-O 2.88Å; C587-C589 CovalentContact SG-SG 2.06Å; C587-C589 PolarHBondContact SG-SG 2.84Å; C587-C594 HydrophobicContact CB-CB 4.37Å; C587-C594 VanDerWaalsContact CB-SG 3.54Å; C587-C594 PolarHBondContact SG-SG 2.83Å
588M45.6Very low56.9Low16 Ų1680.4 Ų80.48%0.07940%0.401CS..  trans-106.130.3155.5-57.6175.879.600109.3M524 P553 Q556 K573 M577 L585M524-M588 HydrophobicContact CE-CE 3.59Å; M524-M588 HydrophobicContact CE-SD 4.49Å; P553-M588 HydrophobicContact CB-SD 3.97Å; P553-M588 HydrophobicContact CG-SD 3.8Å; Q556-M588 PolarHBondContact NE2-O 3.31Å; K573-M588 HydrophobicContact CB-CE 3.31Å; K573-M588 HydrophobicContact CD-CE 3.75Å; K573-M588 HydrophobicContact CG-CE 3.43Å; K573-M588 VanDerWaalsContact CG-CE 3.43Å; M577-M588 HydrophobicContact CG-CE 4.3Å; M577-M588 HydrophobicContact CG-SD 4.36Å; M577-M588 HydrophobicContact SD-CE 3.84Å; M577-M588 HydrophobicContact SD-SD 3.73Å; L585-M588 HydrophobicContact CB-CG 3.71Å; L585-M588 HydrophobicContact CB-SD 3.86Å; L585-M588 HydrophobicContact CD1-CE 3.96Å; L585-M588 HydrophobicContact CD1-CG 4.14Å; L585-M588 HydrophobicContact CD1-SD 3.55Å; L585-M588 VanDerWaalsContact CD1-SD 3.55Å; L585-M588 HydrophobicContact CG-SD 4.36Å
589C44.5Very low54.8Low47 Ų4783.3 Ų83.332%0.31842%0.419SS..  trans-82.2137.8-179.6610000109C587 C591C587-C589 VanDerWaalsContact C-N 3.3Å; C587-C589 HydrophobicContact CB-CB 4.41Å; C587-C589 WeakPolarHBondContact CB-SG 3.26Å; C587-C589 VanDerWaalsContact SG-CA 3.6Å; C587-C589 WeakPolarHBondContact SG-CB 3.35Å; C587-C589 PolarHBondContact SG-N 2.75Å; C587-C589 PolarHBondContact SG-O 2.88Å; C587-C589 CovalentContact SG-SG 2.06Å; C587-C589 PolarHBondContact SG-SG 2.84Å; C589-C591 PolarHBondContact O-N 2.71Å
590T40.8Very low52.9Low128 Ų12885.5 Ų85.579%0.78543%0.429SS*.  trans-699.6174460000113N592T590-N592 PolarHBondContact O-N 3.26Å
591C42Very low51.1Low56 Ų5685.7 Ų85.738%0.37844%0.436SS..  trans-82.7113.5-177.294.70000109.5C589 R593C589-C591 PolarHBondContact O-N 2.71Å; C591-R593 PolarHBondContact O-N 3.43Å
592N44.3Very low49.3Very low117 Ų11789.1 Ų89.163%0.62645%0.451SS*.THydrogen-bonded Turntrans-6221168.6-98.8-11.8000113.7T590 N601T590-N592 PolarHBondContact O-N 3.26Å; N592-N601 PolarHBondContact OD1-ND2 3.16Å; N592-N601 VanDerWaalsContact OD1-ND2 3.07Å
593R39.3Very low48.1Very low222 Ų22290.1 Ų90.184%0.83846%0.459SS*.THydrogen-bonded Turntrans-128.3-8.1-168.5-69.3-172.7177.7-173.7-0.2114.4C591C591-R593 PolarHBondContact O-N 3.43Å
594C45.2Very low47.2Very low26 Ų2692.6 Ų92.618%0.17647%0.465CS..SBendtrans-84153.9173.786.80000111.1C587 F596 C597 L598C587-C594 HydrophobicContact CB-CB 4.37Å; C587-C594 VanDerWaalsContact CB-SG 3.54Å; C587-C594 PolarHBondContact SG-SG 2.83Å; C594-F596 PolarHBondContact O-N 2.74Å; C594-C597 PolarHBondContact O-N 3.19Å; C594-C597 PolarHBondContact SG-N 3.14Å; C594-L598 WeakPolarHBondContact O-CB 3.12Å; C594-L598 WeakPolarHBondContact O-CG 3.41Å; C594-L598 PolarHBondContact O-N 3.07Å
595T42Very low47.4Very low119 Ų11986 Ų8673%0.7345%0.447SS*.Hα-helixtrans-56.1-33.4-179.570000112.9C599T595-C599 WeakPolarHBondContact O-CB 3.32Å; T595-C599 PolarHBondContact O-N 2.84Å; T595-C599 PolarHBondContact O-SG 2.96Å
596F48.6Very low47.4Very low93 Ų9391.5 Ų91.541%0.40847%0.471SS..Hα-helixtrans-70.8-47.6177.5-177.1-99.4000112.7C594 L598 C599 Q600C594-F596 PolarHBondContact O-N 2.74Å; F596-L598 VanDerWaalsContact C-N 3.33Å; F596-L598 PolarHBondContact O-N 3.42Å; F596-C599 PolarHBondContact O-N 3.43Å; F596-Q600 WeakPolarHBondContact O-CB 3.46Å; F596-Q600 PolarHBondContact O-N 3.49Å
597C47.6Very low48Very low23 Ų2386.9 Ų86.916%0.15546%0.463CS..Hα-helixtrans-65.7-36.2176.1-65.60000112C594 Q600 N601C594-C597 PolarHBondContact O-N 3.19Å; C594-C597 PolarHBondContact SG-N 3.14Å; C597-Q600 PolarHBondContact O-N 3.06Å; C597-N601 VanDerWaalsContact O-CB 3.26Å; C597-N601 WeakPolarHBondContact O-CB 3.44Å; C597-N601 VanDerWaalsContact O-CG 3.29Å; C597-N601 PolarHBondContact O-N 3.38Å; C597-N601 PolarHBondContact O-ND2 3.14Å
598L49.2Very low48.5Very low94 Ų9489.5 Ų89.549%0.49248%0.475SS..Hα-helixtrans-64.5-42.3172.5-75.3162.9000111.3C594 F596 L602C594-L598 WeakPolarHBondContact O-CB 3.12Å; C594-L598 WeakPolarHBondContact O-CG 3.41Å; C594-L598 PolarHBondContact O-N 3.07Å; F596-L598 VanDerWaalsContact C-N 3.33Å; F596-L598 PolarHBondContact O-N 3.42Å; L598-L602 WeakPolarHBondContact O-CB 3.32Å; L598-L602 PolarHBondContact O-N 3.48Å
599C50.4Low49.3Very low69 Ų6994.4 Ų94.447%0.46650%0.498SS..Hα-helixtrans-66.7-40.3174.1-75.80000112.7T595 F596 L602 L603T595-C599 WeakPolarHBondContact O-CB 3.32Å; T595-C599 PolarHBondContact O-N 2.84Å; T595-C599 PolarHBondContact O-SG 2.96Å; F596-C599 PolarHBondContact O-N 3.43Å; C599-L602 PolarHBondContact O-N 3.27Å; C599-L603 WeakPolarHBondContact O-CB 3.28Å; C599-L603 WeakPolarHBondContact O-CD1 3.33Å; C599-L603 VanDerWaalsContact O-CG 3.24Å; C599-L603 WeakPolarHBondContact O-CG 3.22Å; C599-L603 PolarHBondContact O-N 2.92Å
600Q52.1Low50Low58 Ų5895.6 Ų95.627%0.27150%0.504SS..Hα-helixtrans-66.9-43.8177.8-160.286.48.700111.3F596 C597 L602 L603 N604F596-Q600 WeakPolarHBondContact O-CB 3.46Å; F596-Q600 PolarHBondContact O-N 3.49Å; C597-Q600 PolarHBondContact O-N 3.06Å; Q600-L602 VanDerWaalsContact C-N 3.33Å; Q600-L602 PolarHBondContact O-N 3.19Å; Q600-L603 PolarHBondContact O-N 3.49Å; Q600-N604 WeakPolarHBondContact O-CB 3.48Å; Q600-N604 PolarHBondContact O-N 2.91Å
601N52.7Low50.9Low81 Ų8192.8 Ų92.843%0.43349%0.486SS..Hα-helixtrans-67.2-32.7174.8-74.8-18.1000112.2N592 C597 S605N592-N601 PolarHBondContact OD1-ND2 3.16Å; N592-N601 VanDerWaalsContact OD1-ND2 3.07Å; C597-N601 VanDerWaalsContact O-CB 3.26Å; C597-N601 WeakPolarHBondContact O-CB 3.44Å; C597-N601 VanDerWaalsContact O-CG 3.29Å; C597-N601 PolarHBondContact O-N 3.38Å; C597-N601 PolarHBondContact O-ND2 3.14Å; N601-S605 WeakPolarHBondContact O-CB 3.42Å; N601-S605 PolarHBondContact O-N 3Å
602L51.3Low51.7Low113 Ų11398.5 Ų98.559%0.59250%0.5SS*.Hα-helixtrans-70.1-41.4173.2-167.181.2000111.5L598 C599 Q600 N604 S605 L608L598-L602 WeakPolarHBondContact O-CB 3.32Å; L598-L602 PolarHBondContact O-N 3.48Å; C599-L602 PolarHBondContact O-N 3.27Å; Q600-L602 VanDerWaalsContact C-N 3.33Å; Q600-L602 PolarHBondContact O-N 3.19Å; L602-N604 VanDerWaalsContact C-N 3.35Å; L602-S605 VanDerWaalsContact O-CB 3.3Å; L602-S605 WeakPolarHBondContact O-CB 3.48Å; L602-S605 PolarHBondContact O-N 3.27Å; L602-L608 WeakPolarHBondContact O-CB 3.44Å
603L52.8Low52.5Low108 Ų10895.9 Ų95.957%0.56549%0.494SS*.Hα-helixtrans-66-36.3176.1-77.9165.5000112.3C599 Q600 L608C599-L603 WeakPolarHBondContact O-CB 3.28Å; C599-L603 WeakPolarHBondContact O-CD1 3.33Å; C599-L603 VanDerWaalsContact O-CG 3.24Å; C599-L603 WeakPolarHBondContact O-CG 3.22Å; C599-L603 PolarHBondContact O-N 2.92Å; Q600-L603 PolarHBondContact O-N 3.49Å; L603-L608 HydrophobicContact CD2-CD2 4.25Å
604N51.7Low53.4Low104 Ų10492.2 Ų92.256%0.55648%0.484SS*.THydrogen-bonded Turntrans-89.42176.9-68.5-14.8000113.3Q600 L602 E606Q600-N604 WeakPolarHBondContact O-CB 3.48Å; Q600-N604 PolarHBondContact O-N 2.91Å; L602-N604 VanDerWaalsContact C-N 3.35Å; N604-E606 PolarHBondContact O-N 2.83Å
605S60.3Low53.7Low43 Ų4395.1 Ų95.130%0.30150%0.498SS..  trans-67.1130178.9178.20000110.3N601 L602 L607 L608 Q609N601-S605 WeakPolarHBondContact O-CB 3.42Å; N601-S605 PolarHBondContact O-N 3Å; L602-S605 VanDerWaalsContact O-CB 3.3Å; L602-S605 WeakPolarHBondContact O-CB 3.48Å; L602-S605 PolarHBondContact O-N 3.27Å; S605-L607 PolarHBondContact O-N 3.09Å; S605-L607 VanDerWaalsContact O-N 3.07Å; S605-L607 WeakPolarHBondContact OG-CB 3.22Å; S605-L607 PolarHBondContact OG-N 3.17Å; S605-L608 PolarHBondContact O-N 3.47Å; S605-Q609 PolarHBondContact O-N 3.07Å; S605-Q609 VanDerWaalsContact O-N 3.11Å
606E52.7Low54.3Low160 Ų16096.7 Ų96.775%0.74849%0.492SS*.Hα-helixtrans-51.9-31.2171.3-73-172.5158.300111.8N604 Q609 T610N604-E606 PolarHBondContact O-N 2.83Å; E606-Q609 PolarHBondContact O-N 3.39Å; E606-T610 VanDerWaalsContact O-CB 3.24Å; E606-T610 WeakPolarHBondContact O-CB 3.36Å; E606-T610 PolarHBondContact O-N 2.85Å; E606-T610 PolarHBondContact O-OG1 3.46Å
607L52.1Low54.6Low129 Ų12994.7 Ų94.768%0.67549%0.492SS*.Hα-helixtrans-66-40.3178.1-148.7114.3000111.5S605 V611S605-L607 PolarHBondContact O-N 3.09Å; S605-L607 VanDerWaalsContact O-N 3.07Å; S605-L607 WeakPolarHBondContact OG-CB 3.22Å; S605-L607 PolarHBondContact OG-N 3.17Å; L607-V611 VanDerWaalsContact O-CB 3.3Å; L607-V611 WeakPolarHBondContact O-CB 3.48Å; L607-V611 WeakPolarHBondContact O-CG2 3.46Å; L607-V611 PolarHBondContact O-N 3.15Å
608L54.4Low54.8Low73 Ų7397.3 Ų97.338%0.38251%0.507SS..Hα-helixtrans-73.1-37.3178.1-155.185.9000111.3L602 L603 S605 R612L602-L608 WeakPolarHBondContact O-CB 3.44Å; L603-L608 HydrophobicContact CD2-CD2 4.25Å; S605-L608 PolarHBondContact O-N 3.47Å; L608-R612 WeakPolarHBondContact O-CB 3.41Å; L608-R612 PolarHBondContact O-N 3.17Å
609Q60.9Low54.7Low120 Ų12096.7 Ų96.756%0.56151%0.507SS*.Hα-helixtrans-65.3-41.8173.1-68.4-171.3-6.200111.7S605 E606 R612 A613S605-Q609 PolarHBondContact O-N 3.07Å; S605-Q609 VanDerWaalsContact O-N 3.11Å; E606-Q609 PolarHBondContact O-N 3.39Å; Q609-R612 PolarHBondContact O-N 3.46Å; Q609-A613 VanDerWaalsContact O-CB 3.32Å; Q609-A613 WeakPolarHBondContact O-CB 3.47Å; Q609-A613 PolarHBondContact O-N 2.96Å
610T59.5Low54.6Low71 Ų7198.1 Ų98.144%0.43651%0.509SS..Hα-helixtrans-67.9-40.4177.4-53.10000111.6E606 A613 K614E606-T610 VanDerWaalsContact O-CB 3.24Å; E606-T610 WeakPolarHBondContact O-CB 3.36Å; E606-T610 PolarHBondContact O-N 2.85Å; E606-T610 PolarHBondContact O-OG1 3.46Å; T610-A613 PolarHBondContact O-N 2.77Å; T610-K614 HydrophobicContact CG2-CD 4.34Å; T610-K614 VanDerWaalsContact O-CB 3.3Å; T610-K614 WeakPolarHBondContact O-CB 3.34Å; T610-K614 WeakPolarHBondContact O-CG 3.13Å; T610-K614 PolarHBondContact O-N 2.9Å
611V60Low54.3Low69 Ų69106.1 Ų106.142%0.41854%0.537SS..Hα-helixtrans-67-40.7175167.90000110.8L607 K614 L615L607-V611 VanDerWaalsContact O-CB 3.3Å; L607-V611 WeakPolarHBondContact O-CB 3.48Å; L607-V611 WeakPolarHBondContact O-CG2 3.46Å; L607-V611 PolarHBondContact O-N 3.15Å; V611-K614 PolarHBondContact O-N 2.96Å; V611-L615 HydrophobicContact CG1-CD1 3.62Å; V611-L615 HydrophobicContact CG1-CG 4.41Å; V611-L615 VanDerWaalsContact O-CB 3.24Å; V611-L615 WeakPolarHBondContact O-CB 3.46Å; V611-L615 WeakPolarHBondContact O-CG 3.38Å; V611-L615 PolarHBondContact O-N 2.95Å
612R58.6Low54Low176 Ų176111.9 Ų111.966%0.66455%0.553SS**Hα-helixtrans-64.4-43.4175.4-169.4176.1175.8175.2-2.1111.6L608 Q609 L615 Y616L608-R612 WeakPolarHBondContact O-CB 3.41Å; L608-R612 PolarHBondContact O-N 3.17Å; Q609-R612 PolarHBondContact O-N 3.46Å; R612-L615 PolarHBondContact O-N 3.22Å; R612-Y616 WeakPolarHBondContact O-CB 3.4Å; R612-Y616 PolarHBondContact O-N 3.23Å
613A61.1Low54.1Low62 Ų62113.8 Ų113.851%0.51256%0.558SS.*Hα-helixtrans-66.1-43.2176.100000112.3Q609 T610 Y616 A617Q609-A613 VanDerWaalsContact O-CB 3.32Å; Q609-A613 WeakPolarHBondContact O-CB 3.47Å; Q609-A613 PolarHBondContact O-N 2.96Å; T610-A613 PolarHBondContact O-N 2.77Å; A613-Y616 PolarHBondContact O-N 2.77Å; A613-A617 WeakPolarHBondContact O-CB 3.5Å; A613-A617 PolarHBondContact O-N 3.01Å
614K58.8Low53.7Low145 Ų145112.9 Ų112.963%0.6355%0.553SS**Hα-helixtrans-67-38.9175.7-76.7-174.9177.8-178.10112.3T610 V611 A617 V618T610-K614 HydrophobicContact CG2-CD 4.34Å; T610-K614 VanDerWaalsContact O-CB 3.3Å; T610-K614 WeakPolarHBondContact O-CB 3.34Å; T610-K614 WeakPolarHBondContact O-CG 3.13Å; T610-K614 PolarHBondContact O-N 2.9Å; V611-K614 PolarHBondContact O-N 2.96Å; K614-A617 PolarHBondContact O-N 3.12Å; K614-V618 WeakPolarHBondContact O-CB 3.47Å; K614-V618 WeakPolarHBondContact O-CG2 3.38Å; K614-V618 PolarHBondContact O-N 3.04Å
615L52.1Low53.7Low87 Ų87114.2 Ų114.246%0.45556%0.559SS.*Hα-helixtrans-68.8-41.4175-81.3163.7000111.8V611 R612 A617 V618 V619V611-L615 HydrophobicContact CG1-CD1 3.62Å; V611-L615 HydrophobicContact CG1-CG 4.41Å; V611-L615 VanDerWaalsContact O-CB 3.24Å; V611-L615 WeakPolarHBondContact O-CB 3.46Å; V611-L615 WeakPolarHBondContact O-CG 3.38Å; V611-L615 PolarHBondContact O-N 2.95Å; R612-L615 PolarHBondContact O-N 3.22Å; L615-A617 VanDerWaalsContact C-N 3.32Å; L615-A617 PolarHBondContact O-N 3.11Å; L615-V618 PolarHBondContact O-N 2.69Å; L615-V619 WeakPolarHBondContact O-CB 3.13Å; L615-V619 WeakPolarHBondContact O-CG2 3.18Å; L615-V619 PolarHBondContact O-N 2.8Å
616Y53.5Low53Low153 Ų153119.8 Ų119.860%0.658%0.58SS**Hα-helixtrans-58.9-45172.5-113.9-96.5000111.3R612 A613 V619 L620R612-Y616 WeakPolarHBondContact O-CB 3.4Å; R612-Y616 PolarHBondContact O-N 3.23Å; A613-Y616 PolarHBondContact O-N 2.77Å; Y616-V619 PolarHBondContact O-N 3.39Å; Y616-L620 HydrophobicContact CD1-CD1 3.98Å; Y616-L620 HydrophobicContact CE1-CD1 4.48Å; Y616-L620 WeakPolarHBondContact O-CB 3.43Å; Y616-L620 PolarHBondContact O-N 3.14Å
617A55.5Low52.7Low50 Ų50119.9 Ų119.941%0.41358%0.581SS.*Hα-helixtrans-66.6-36.4177.800000113A613 K614 L615 R621A613-A617 WeakPolarHBondContact O-CB 3.5Å; A613-A617 PolarHBondContact O-N 3.01Å; K614-A617 PolarHBondContact O-N 3.12Å; L615-A617 VanDerWaalsContact C-N 3.32Å; L615-A617 PolarHBondContact O-N 3.11Å; A617-R621 VanDerWaalsContact O-CB 3.25Å; A617-R621 WeakPolarHBondContact O-CB 3.5Å; A617-R621 VanDerWaalsContact O-CG 3.31Å; A617-R621 WeakPolarHBondContact O-CG 3.4Å; A617-R621 PolarHBondContact O-N 3.32Å
618V50.2Low52.3Low79 Ų79119.1 Ų119.148%0.47958%0.577SS.*Hα-helixtrans-75-36.9178.41690000111.7K614 L615 R621 R622K614-V618 WeakPolarHBondContact O-CB 3.47Å; K614-V618 WeakPolarHBondContact O-CG2 3.38Å; K614-V618 PolarHBondContact O-N 3.04Å; L615-V618 PolarHBondContact O-N 2.69Å; V618-R621 PolarHBondContact O-N 3.11Å; V618-R622 WeakPolarHBondContact O-CB 3.42Å; V618-R622 PolarHBondContact O-N 2.95Å; V618-R622 VanDerWaalsContact O-N 3.09Å
619V48.7Very low51.9Low81 Ų81119.1 Ų119.149%0.49158%0.577SS.*Hα-helixtrans-70.9-43.5176.9173.20000110.6L615 Y616 R621 R622 H623L615-V619 WeakPolarHBondContact O-CB 3.13Å; L615-V619 WeakPolarHBondContact O-CG2 3.18Å; L615-V619 PolarHBondContact O-N 2.8Å; Y616-V619 PolarHBondContact O-N 3.39Å; V619-R621 VanDerWaalsContact C-N 3.33Å; V619-R621 PolarHBondContact O-N 3.07Å; V619-R622 PolarHBondContact O-N 3.11Å; V619-H623 PolarHBondContact O-N 3.32Å
620L47.1Very low51.3Low98 Ų98118.9 Ų118.951%0.51358%0.584SS.*Hα-helixtrans-64.9-33.2172.9-104.6101.6000113Y616Y616-L620 HydrophobicContact CD1-CD1 3.98Å; Y616-L620 HydrophobicContact CE1-CD1 4.48Å; Y616-L620 WeakPolarHBondContact O-CB 3.43Å; Y616-L620 PolarHBondContact O-N 3.14Å
621R45.3Very low50.6Low226 Ų226120.2 Ų120.285%0.85360%0.596SS**Hα-helixtrans-80-22.1179.7-82.4-171.7-170.2-154.83.2114.5A617 V618 V619A617-R621 VanDerWaalsContact O-CB 3.25Å; A617-R621 WeakPolarHBondContact O-CB 3.5Å; A617-R621 VanDerWaalsContact O-CG 3.31Å; A617-R621 WeakPolarHBondContact O-CG 3.4Å; A617-R621 PolarHBondContact O-N 3.32Å; V618-R621 PolarHBondContact O-N 3.11Å; V619-R621 VanDerWaalsContact C-N 3.33Å; V619-R621 PolarHBondContact O-N 3.07Å
622R47.2Very low50.1Low202 Ų202118.4 Ų118.476%0.76259%0.587SS**Hα-helixtrans-100.3-23.2-175.7-81.3-171.4169.9-175-2.5114.6V618 V619V618-R622 WeakPolarHBondContact O-CB 3.42Å; V618-R622 PolarHBondContact O-N 2.95Å; V618-R622 VanDerWaalsContact O-N 3.09Å; V619-R622 PolarHBondContact O-N 3.11Å
623H52.7Low50Low153 Ų153114.8 Ų114.871%0.70858%0.584SS**SBendtrans-147.4117.5173-73.2-50000110.7V619V619-H623 PolarHBondContact O-N 3.32Å
624I45.5Very low49.5Very low90 Ų90119.3 Ų119.346%0.46259%0.593SS.*  trans104.9110.2165.6-54.7156.1000114.5L629I624-L629 HydrophobicContact CD1-CD1 3.9Å; I624-L629 HydrophobicContact CG2-CD1 3.76Å
625I50.5Low48.6Very low131 Ų131122 Ų12267%0.67260%0.599SS**  trans-71.7132.3165.4-61.6169.5000107.1E627 D628I625-E627 PolarHBondContact O-N 2.97Å; I625-D628 PolarHBondContact O-N 3.43Å; I625-D628 VanDerWaalsContact O-N 3.15Å
626Q46.9Very low48.5Very low161 Ų161122.5 Ų122.575%0.75260%0.602SS**THydrogen-bonded Turntrans-59.6-13.5-166.4-164.6164.7-27.500115.1
627E46.2Very low48.3Very low161 Ų161121 Ų12175%0.75260%0.595SS**THydrogen-bonded Turntrans-77.8-26.4176.9-78.4-178.5144.300114.3I625 T630I625-E627 PolarHBondContact O-N 2.97Å; E627-T630 PolarHBondContact O-OG1 2.77Å
628D43.8Very low48.1Very low114 Ų114120.8 Ų120.861%0.6159%0.593SS**SBendtrans-83.6-14.8-176.8-80.6-26.5000113.9I625 S631 S632I625-D628 PolarHBondContact O-N 3.43Å; I625-D628 VanDerWaalsContact O-N 3.15Å; D628-S631 PolarHBondContact O-OG 3.16Å; D628-S632 PolarHBondContact O-OG 3.13Å
629L46.3Very low48Very low73 Ų73119.9 Ų119.938%0.38259%0.59SS.*SBendtrans-84.1-22.8-176.4-138.893.8000113I624 S631 S632 R637I624-L629 HydrophobicContact CD1-CD1 3.9Å; I624-L629 HydrophobicContact CG2-CD1 3.76Å; L629-S631 VanDerWaalsContact C-N 3.33Å; L629-S632 PolarHBondContact O-OG 3.11Å; L629-R637 PolarHBondContact O-NE 3.13Å; L629-R637 PolarHBondContact O-NH2 3.1Å
630T48.4Very low48.2Very low114 Ų114119.2 Ų119.270%0.69959%0.586SS**SBendtrans-74.7-23.7-179.9500000112.2E627E627-T630 PolarHBondContact O-OG1 2.77Å
631S43.9Very low48.5Very low99 Ų99116.1 Ų116.169%0.69258%0.578SS**SBendtrans-94.8-8.4-179.872.80000115.3D628 L629D628-S631 PolarHBondContact O-OG 3.16Å; L629-S631 VanDerWaalsContact C-N 3.33Å
632S50.9Low48.9Very low32 Ų32108.3 Ų108.322%0.22456%0.562CS.*SBendtrans-95.3146.6-172.347.80000114.8D628 L629D628-S632 PolarHBondContact O-OG 3.13Å; L629-S632 PolarHBondContact O-OG 3.11Å
633T54.6Low49Very low99 Ų99102.9 Ų102.961%0.60755%0.551SS**  trans-68.3151.3-17349.80000113.6W635 L636T633-W635 PolarHBondContact O-N 2.94Å; T633-L636 WeakPolarHBondContact O-CB 3.36Å; T633-L636 PolarHBondContact O-N 3.47Å
634F50.9Low49.2Very low157 Ų15798.5 Ų98.569%0.68954%0.535SS*.Hα-helixtrans-46.2-37.9-176.9178.2-99.1000114.7L636 R637 A638F634-L636 VanDerWaalsContact C-N 3.33Å; F634-L636 PolarHBondContact O-N 3.21Å; F634-R637 PolarHBondContact O-N 2.96Å; F634-A638 PolarHBondContact O-N 2.8Å
635W41.4Very low49.7Very low203 Ų203101.9 Ų101.977%0.76955%0.547SS*.Hα-helixtrans-65.9-31.9-179.1-70105.5000113.8T633 A638 S639T633-W635 PolarHBondContact O-N 2.94Å; W635-A638 PolarHBondContact O-N 2.88Å; W635-S639 PolarHBondContact O-N 3.11Å; W635-S639 PolarHBondContact O-OG 2.71Å
636L48.5Very low50Low96 Ų9698.7 Ų98.750%0.50354%0.54SS..Hα-helixtrans-74.2-36.6179.7-138142.2000111T633 F634 S639 V640T633-L636 WeakPolarHBondContact O-CB 3.36Å; T633-L636 PolarHBondContact O-N 3.47Å; F634-L636 VanDerWaalsContact C-N 3.33Å; F634-L636 PolarHBondContact O-N 3.21Å; L636-S639 WeakPolarHBondContact CA-OG 3.4Å; L636-S639 PolarHBondContact O-OG 2.64Å; L636-V640 VanDerWaalsContact O-CG2 3.31Å; L636-V640 WeakPolarHBondContact O-CG2 3.49Å; L636-V640 PolarHBondContact O-N 2.82Å; L636-V640 VanDerWaalsContact O-N 3.15Å
637R50.4Low50.3Low123 Ų12395.6 Ų95.646%0.46453%0.532SS..Hα-helixtrans-66.8-39.6171.5-62.3-175.6-175166.54.5111.5L629 F634 G641L629-R637 PolarHBondContact O-NE 3.13Å; L629-R637 PolarHBondContact O-NH2 3.1Å; F634-R637 PolarHBondContact O-N 2.96Å; R637-G641 PolarHBondContact O-N 3.2Å; R637-G641 VanDerWaalsContact O-N 3.08Å
638A50.1Low50.7Low45 Ų4592 Ų9237%0.37252%0.517SS..Hα-helixtrans-66.6-40.9176.300000112.7F634 W635 G641 A642F634-A638 PolarHBondContact O-N 2.8Å; W635-A638 PolarHBondContact O-N 2.88Å; A638-G641 PolarHBondContact O-N 3.31Å; A638-A642 PolarHBondContact O-N 2.86Å
639S49Very low51.4Low60 Ų6088.6 Ų88.642%0.4251%0.509SS..Hα-helixtrans-67.2-38.3177.953.90000112.9W635 L636 A642 T643W635-S639 PolarHBondContact O-N 3.11Å; W635-S639 PolarHBondContact O-OG 2.71Å; L636-S639 WeakPolarHBondContact CA-OG 3.4Å; L636-S639 PolarHBondContact O-OG 2.64Å; S639-A642 PolarHBondContact O-N 2.95Å; S639-T643 PolarHBondContact O-N 3.17Å; S639-T643 PolarHBondContact O-OG1 3.25Å
640V52.2Low51.6Low66 Ų6691.4 Ų91.440%0.452%0.519SS..Hα-helixtrans-65.9-43174.8173.30000110.3L636 A642 T643 V644L636-V640 VanDerWaalsContact O-CG2 3.31Å; L636-V640 WeakPolarHBondContact O-CG2 3.49Å; L636-V640 PolarHBondContact O-N 2.82Å; L636-V640 VanDerWaalsContact O-N 3.15Å; V640-A642 PolarHBondContact O-N 3.3Å; V640-T643 PolarHBondContact O-N 3.26Å; V640-V644 WeakPolarHBondContact O-CG2 3.28Å; V640-V644 PolarHBondContact O-N 2.79Å
641G53.1Low51.5Low33 Ų3388.4 Ų88.434%0.3451%0.505SS..Hα-helixtrans-57.9-46.4174.100000113.1R637 A638 T643 V644 F645R637-G641 PolarHBondContact O-N 3.2Å; R637-G641 VanDerWaalsContact O-N 3.08Å; A638-G641 PolarHBondContact O-N 3.31Å; G641-T643 VanDerWaalsContact C-N 3.33Å; G641-T643 PolarHBondContact O-N 3.49Å; G641-V644 PolarHBondContact O-N 3.43Å; G641-F645 WeakPolarHBondContact O-CD2 3.43Å; G641-F645 PolarHBondContact O-N 3.05Å; G641-F645 VanDerWaalsContact O-N 3.09Å
642A53.5Low52Low62 Ų6287.4 Ų87.451%0.51250%0.495SS..Hα-helixtrans-62.8-38.4178.200000112.7A638 S639 V640 F645 A646A638-A642 PolarHBondContact O-N 2.86Å; S639-A642 PolarHBondContact O-N 2.95Å; V640-A642 PolarHBondContact O-N 3.3Å; A642-F645 PolarHBondContact O-N 3.34Å; A642-A646 PolarHBondContact O-N 3.15Å
643T50.8Low52.3Low88 Ų8892.7 Ų92.754%0.5451%0.511SS..Hα-helixtrans-68.9-41.1-179.8-48.10000111.5S639 V640 G641 F645 A646 V647S639-T643 PolarHBondContact O-N 3.17Å; S639-T643 PolarHBondContact O-OG1 3.25Å; V640-T643 PolarHBondContact O-N 3.26Å; G641-T643 VanDerWaalsContact C-N 3.33Å; G641-T643 PolarHBondContact O-N 3.49Å; T643-F645 PolarHBondContact O-N 3.14Å; T643-A646 PolarHBondContact O-N 3Å; T643-V647 WeakPolarHBondContact O-CG2 3.4Å; T643-V647 PolarHBondContact O-N 2.83Å
644V55.9Low51.7Low62 Ų6296.3 Ų96.338%0.37651%0.513SS..Hα-helixtrans-63.6-41.3175.3172.40000111.2V640 G641 V647 L648V640-V644 WeakPolarHBondContact O-CG2 3.28Å; V640-V644 PolarHBondContact O-N 2.79Å; G641-V644 PolarHBondContact O-N 3.43Å; V644-V647 PolarHBondContact O-N 2.83Å; V644-L648 HydrophobicContact CG1-CD1 3.93Å; V644-L648 WeakPolarHBondContact O-CB 3.44Å; V644-L648 WeakPolarHBondContact O-CG 3.4Å; V644-L648 PolarHBondContact O-N 3.37Å
645F56Low51.4Low160 Ų16095 Ų9570%0.70251%0.513SS*.Hα-helixtrans-65-39175.6-96.7-82.9000112.9G641 A642 T643 L648 G649G641-F645 WeakPolarHBondContact O-CD2 3.43Å; G641-F645 PolarHBondContact O-N 3.05Å; G641-F645 VanDerWaalsContact O-N 3.09Å; A642-F645 PolarHBondContact O-N 3.34Å; T643-F645 PolarHBondContact O-N 3.14Å; F645-L648 PolarHBondContact O-N 2.98Å; F645-G649 PolarHBondContact O-N 3.25Å
646A56.4Low51.6Low64 Ų6491.3 Ų91.353%0.52951%0.508SS..Hα-helixtrans-65-42176.900000112.2A642 T643 G649 F650A642-A646 PolarHBondContact O-N 3.15Å; T643-A646 PolarHBondContact O-N 3Å; A646-G649 PolarHBondContact O-N 3.17Å; A646-F650 WeakPolarHBondContact O-CB 3.35Å; A646-F650 PolarHBondContact O-N 3.01Å
647V53.8Low51.3Low97 Ų9791.6 Ų91.659%0.58851%0.509SS*.Hα-helixtrans-67.9-40177.81750000111.4T643 V644 F650 A651T643-V647 WeakPolarHBondContact O-CG2 3.4Å; T643-V647 PolarHBondContact O-N 2.83Å; V644-V647 PolarHBondContact O-N 2.83Å; V647-F650 PolarHBondContact O-N 3.44Å; V647-A651 WeakPolarHBondContact O-CB 3.4Å; V647-A651 PolarHBondContact O-N 2.68Å
648L55.2Low50.8Low85 Ų8594.7 Ų94.745%0.44553%0.526SS..Hα-helixtrans-63.8-44173.5-80.3164.4000111.9V644 F645 F650 A651 V652V644-L648 HydrophobicContact CG1-CD1 3.93Å; V644-L648 WeakPolarHBondContact O-CB 3.44Å; V644-L648 WeakPolarHBondContact O-CG 3.4Å; V644-L648 PolarHBondContact O-N 3.37Å; F645-L648 PolarHBondContact O-N 2.98Å; L648-F650 VanDerWaalsContact C-N 3.32Å; L648-F650 PolarHBondContact O-N 3.5Å; L648-A651 PolarHBondContact O-N 3.18Å; L648-V652 WeakPolarHBondContact O-CB 3.3Å; L648-V652 VanDerWaalsContact O-CG2 3.29Å; L648-V652 WeakPolarHBondContact O-CG2 3.41Å; L648-V652 PolarHBondContact O-N 3.38Å
649G57.3Low50.5Low43 Ų4398.2 Ų98.244%0.44354%0.543SS..Hα-helixtrans-59.7-42.2175.200000112.3F645 A646 Y653F645-G649 PolarHBondContact O-N 3.25Å; A646-G649 PolarHBondContact O-N 3.17Å; G649-Y653 VanDerWaalsContact O-CB 3.24Å; G649-Y653 WeakPolarHBondContact O-CB 3.31Å; G649-Y653 PolarHBondContact O-N 3.24Å
650F51.4Low50Low132 Ų132109.7 Ų109.758%0.57958%0.577SS**Hα-helixtrans-69.8-37.2178.7-160.9-96.3000112.9A646 V647 L648 R654A646-F650 WeakPolarHBondContact O-CB 3.35Å; A646-F650 PolarHBondContact O-N 3.01Å; V647-F650 PolarHBondContact O-N 3.44Å; L648-F650 VanDerWaalsContact C-N 3.32Å; L648-F650 PolarHBondContact O-N 3.5Å; F650-R654 PolarHBondContact O-N 2.89Å
651A46.5Very low49.9Very low50 Ų50111.9 Ų111.941%0.41359%0.586SS.*Hα-helixtrans-67.5-41.8175.700000112.2V647 L648 R654 L655V647-A651 WeakPolarHBondContact O-CB 3.4Å; V647-A651 PolarHBondContact O-N 2.68Å; L648-A651 PolarHBondContact O-N 3.18Å; A651-R654 PolarHBondContact O-N 2.83Å; A651-L655 PolarHBondContact O-N 2.99Å; A651-L655 VanDerWaalsContact O-N 3.08Å
652V54.5Low49.8Very low78 Ų78116 Ų11647%0.47360%0.599SS.*Hα-helixtrans-67.4-40.5175.5172.90000111L648 R654 L655 L656L648-V652 WeakPolarHBondContact O-CB 3.3Å; L648-V652 VanDerWaalsContact O-CG2 3.29Å; L648-V652 WeakPolarHBondContact O-CG2 3.41Å; L648-V652 PolarHBondContact O-N 3.38Å; V652-R654 PolarHBondContact O-N 2.58Å; V652-L655 PolarHBondContact O-N 3.1Å; V652-L656 HydrophobicContact CG1-CD1 3.9Å; V652-L656 HydrophobicContact CG1-CG 4.47Å; V652-L656 WeakPolarHBondContact O-CG 3.38Å; V652-L656 PolarHBondContact O-N 3.29Å
653Y56.2Low49.6Very low143 Ų143119 Ų11956%0.56160%0.603SS**Hα-helixtrans-59.9-42.4174.4-179.5-104.6000112.4G649 L656 L657G649-Y653 VanDerWaalsContact O-CB 3.24Å; G649-Y653 WeakPolarHBondContact O-CB 3.31Å; G649-Y653 PolarHBondContact O-N 3.24Å; Y653-L656 PolarHBondContact O-N 3.03Å; Y653-L657 HydrophobicContact CD1-CD1 3.86Å; Y653-L657 HydrophobicContact CD2-CD1 4.46Å; Y653-L657 HydrophobicContact CE1-CD1 3.33Å; Y653-L657 HydrophobicContact CE2-CD1 4.01Å; Y653-L657 HydrophobicContact CG-CD1 4.39Å; Y653-L657 VanDerWaalsContact CZ-CD1 3.42Å; Y653-L657 PolarHBondContact O-N 3.06Å; Y653-L657 VanDerWaalsContact O-N 3.17Å
654R42.3Very low49.5Very low176 Ų176120.8 Ų120.866%0.66461%0.607SS**Hα-helixtrans-66.9-34.7175.1-104.3-169.9173.1-172.4-0.2113.7F650 A651 V652F650-R654 PolarHBondContact O-N 2.89Å; A651-R654 PolarHBondContact O-N 2.83Å; V652-R654 PolarHBondContact O-N 2.58Å
655L44.2Very low49.1Very low129 Ų129124.5 Ų124.568%0.67562%0.622SS**Hα-helixtrans-70-37.3176.9-97.1153.2000111.9A651 V652A651-L655 PolarHBondContact O-N 2.99Å; A651-L655 VanDerWaalsContact O-N 3.08Å; V652-L655 PolarHBondContact O-N 3.1Å
656L46.3Very low48.6Very low126 Ų126122.1 Ų122.166%0.6662%0.616SS**Hα-helixtrans-75.1-25.2178.3-71.4169.4000113.7V652 Y653V652-L656 HydrophobicContact CG1-CD1 3.9Å; V652-L656 HydrophobicContact CG1-CG 4.47Å; V652-L656 WeakPolarHBondContact O-CG 3.38Å; V652-L656 PolarHBondContact O-N 3.29Å; Y653-L656 PolarHBondContact O-N 3.03Å
657L41.5Very low48.1Very low101 Ų101126.3 Ų126.353%0.52962%0.622SS.*Hα-helixtrans-81.4-13.9175.3-86.2164.6000114.1Y653 T659Y653-L657 HydrophobicContact CD1-CD1 3.86Å; Y653-L657 HydrophobicContact CD2-CD1 4.46Å; Y653-L657 HydrophobicContact CE1-CD1 3.33Å; Y653-L657 HydrophobicContact CE2-CD1 4.01Å; Y653-L657 HydrophobicContact CG-CD1 4.39Å; Y653-L657 VanDerWaalsContact CZ-CD1 3.42Å; Y653-L657 PolarHBondContact O-N 3.06Å; Y653-L657 VanDerWaalsContact O-N 3.17Å; L657-T659 VanDerWaalsContact C-N 3.31Å
658K41Very low47.6Very low189 Ų189128.5 Ų128.582%0.82263%0.625SS**THydrogen-bonded Turntrans-84.6-3-179.3-121-177.7180-173.80114
659T43.1Very low47Very low119 Ų119132.2 Ų132.273%0.7364%0.64SS**THydrogen-bonded Turntrans-117.143.517937.30000112.1L657L657-T659 VanDerWaalsContact C-N 3.31Å
660R40Very low46.1Very low300 Ų300140.3 Ų140.3100%1.13266%0.658SS**  trans-121.30161.6-108.2-172.7178.3-179.8-0.1110.8

Retrieved 660 of 660 residues in 1598 ms (Link to these results)

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