A0A087YE34_POEFO Loading...

Pyridoxal phosphate homeostasis protein

Pyridoxal 5'-phosphate (PLP)-binding protein, which may be involved in intracellular homeostatic regulation of pyridoxal 5'-phosphate (PLP), the active form of vitamin B6.

AlphaFold DB (A0A3B3TVZ9), UniProt , Accession A0A087YE34, Species POEFO (Poecilia formosa, Amazon molly), Gene PROSC, Length 298 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
1M48.3Very low69.3Low210 Ų21091.2 Ų91.2100%1.03445%0.448SS*.  0-57.10-83.9-177.6-97.400112.1K3 V4 A5M1-K3 PolarHBondContact O-N 3.02Å; M1-V4 PolarHBondContact O-N 3.29Å; M1-A5 PolarHBondContact O-N 3.24Å; M1-A5 VanDerWaalsContact O-N 3.1Å
2W50.5Low71.5Confident193 Ų19394.8 Ų94.873%0.73146%0.459SS*.Hα-helixtrans-52.9-51.6178.5175.9-96.9000114.9V4 A5 M6W2-V4 VanDerWaalsContact C-N 3.28Å; W2-V4 PolarHBondContact O-N 3.4Å; W2-A5 PolarHBondContact O-N 3.38Å; W2-M6 HydrophobicContact CD2-SD 4.27Å; W2-M6 HydrophobicContact CZ2-CG 4.29Å; W2-M6 HydrophobicContact CZ2-SD 3.59Å; W2-M6 VanDerWaalsContact CZ2-SD 3.59Å; W2-M6 PolarHBondContact NE1-SD 3.4Å; W2-M6 PolarHBondContact O-N 3.12Å
3K56.3Low73.4Confident145 Ų14589 Ų8963%0.6344%0.436SS*.Hα-helixtrans-59.2-35.6178.7-76.3-164.6170.9-151.30113.8M1 S7 D49M1-K3 PolarHBondContact O-N 3.02Å; K3-S7 WeakPolarHBondContact O-CB 3.45Å; K3-S7 PolarHBondContact O-N 2.95Å; K3-D49 IonicContact NZ-OD2 3.98Å; K3-D49 PolarHBondContact NZ-OD2 2.78Å
4V58.8Low75.1Confident91 Ų9182.6 Ų82.655%0.55241%0.405SS*.Hα-helixtrans-73.9-41.6-179.2178.40000110.6M1 W2 S7 E8M1-V4 PolarHBondContact O-N 3.29Å; W2-V4 VanDerWaalsContact C-N 3.28Å; W2-V4 PolarHBondContact O-N 3.4Å; V4-S7 WeakPolarHBondContact O-CB 3.36Å; V4-S7 PolarHBondContact O-N 2.95Å; V4-E8 PolarHBondContact O-N 3.45Å
5A62.3Low76.6Confident50 Ų5082.8 Ų82.841%0.41341%0.405SS..Hα-helixtrans-62.4-46.317600000111.9M1 W2 S7 E8 E9M1-A5 PolarHBondContact O-N 3.24Å; M1-A5 VanDerWaalsContact O-N 3.1Å; W2-A5 PolarHBondContact O-N 3.38Å; A5-S7 VanDerWaalsContact C-N 3.28Å; A5-S7 PolarHBondContact O-N 3.42Å; A5-E8 PolarHBondContact O-N 3.36Å; A5-E9 WeakPolarHBondContact O-CG 3.24Å; A5-E9 PolarHBondContact O-N 2.9Å; A5-E9 VanDerWaalsContact O-N 3.12Å
6M67.4Low77.9Confident38 Ų3881.6 Ų81.619%0.18741%0.407CS..Hα-helixtrans-62.1-34.7173.8-71.4-175.27600112.8W2 E9 V10 M50W2-M6 HydrophobicContact CD2-SD 4.27Å; W2-M6 HydrophobicContact CZ2-CG 4.29Å; W2-M6 HydrophobicContact CZ2-SD 3.59Å; W2-M6 VanDerWaalsContact CZ2-SD 3.59Å; W2-M6 PolarHBondContact NE1-SD 3.4Å; W2-M6 PolarHBondContact O-N 3.12Å; M6-E9 PolarHBondContact O-N 3.11Å; M6-V10 WeakPolarHBondContact O-CG2 3.31Å; M6-V10 PolarHBondContact O-N 2.94Å; M6-V10 VanDerWaalsContact O-N 3.17Å; M6-M50 HydrophobicContact CE-CE 4.45Å
7S66.7Low79.1Confident29 Ų2976.8 Ų76.820%0.20338%0.383CS..Hα-helixtrans-63-52.2175.8-152.60000110.4K3 V4 A5 E9 V10 G11 E53K3-S7 WeakPolarHBondContact O-CB 3.45Å; K3-S7 PolarHBondContact O-N 2.95Å; V4-S7 WeakPolarHBondContact O-CB 3.36Å; V4-S7 PolarHBondContact O-N 2.95Å; A5-S7 VanDerWaalsContact C-N 3.28Å; A5-S7 PolarHBondContact O-N 3.42Å; S7-E9 PolarHBondContact O-N 3.41Å; S7-V10 PolarHBondContact O-N 3.31Å; S7-G11 PolarHBondContact O-N 3.08Å; S7-G11 VanDerWaalsContact O-N 3.1Å; S7-E53 WeakPolarHBondContact O-CG 3.31Å; S7-E53 WeakPolarHBondContact OG-CG 3.34Å; S7-E53 PolarHBondContact OG-OE2 3.17Å
8E74.8Confident80.1Confident110 Ų11074.9 Ų74.951%0.51438%0.375SS..Hα-helixtrans-59.6-34.1178.6-76.4-168.4-164.400113.2V4 A5 G11 K12V4-E8 PolarHBondContact O-N 3.45Å; A5-E8 PolarHBondContact O-N 3.36Å; E8-G11 PolarHBondContact O-N 3.46Å; E8-K12 WeakPolarHBondContact O-CG 3.25Å; E8-K12 PolarHBondContact O-N 3.14Å; E8-K12 VanDerWaalsContact O-N 3.08Å; E8-K12 IonicContact OE2-NZ 2.73Å; E8-K12 PolarHBondContact OE2-NZ 2.95Å
9E89.8Confident81.1Confident131 Ų13175.4 Ų75.461%0.61238%0.376SS*.Hα-helixtrans-64.6-45.7176.9-74.7176.1-178.300112.2A5 M6 S7 G11 K12 A13A5-E9 WeakPolarHBondContact O-CG 3.24Å; A5-E9 PolarHBondContact O-N 2.9Å; A5-E9 VanDerWaalsContact O-N 3.12Å; M6-E9 PolarHBondContact O-N 3.11Å; S7-E9 PolarHBondContact O-N 3.41Å; E9-G11 VanDerWaalsContact C-N 3.31Å; E9-G11 PolarHBondContact O-N 3.24Å; E9-K12 PolarHBondContact O-N 3.4Å; E9-A13 VanDerWaalsContact O-CB 3.25Å; E9-A13 WeakPolarHBondContact O-CB 3.29Å; E9-A13 PolarHBondContact O-N 3Å
10V94.4Very high81.9Confident3 Ų375.4 Ų75.42%0.01837%0.371CS..Hα-helixtrans-60.1-45.1175.8173.30000110.4M6 S7 K12 A13 V14 M50 E53 A54 I245 F246M6-V10 WeakPolarHBondContact O-CG2 3.31Å; M6-V10 PolarHBondContact O-N 2.94Å; M6-V10 VanDerWaalsContact O-N 3.17Å; S7-V10 PolarHBondContact O-N 3.31Å; V10-K12 PolarHBondContact O-N 3.43Å; V10-A13 PolarHBondContact O-N 3.47Å; V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 WeakPolarHBondContact O-CG2 3.25Å; V10-V14 PolarHBondContact O-N 2.93Å; V10-M50 HydrophobicContact CG2-CB 4.28Å; V10-M50 HydrophobicContact CG2-CE 3.28Å; V10-M50 HydrophobicContact CG2-CG 4.17Å; V10-E53 HydrophobicContact CB-CG 4.16Å; V10-E53 HydrophobicContact CG1-CB 4.4Å; V10-E53 HydrophobicContact CG1-CG 4.32Å; V10-A54 HydrophobicContact CG1-CB 4Å; V10-I245 HydrophobicContact CG1-CG2 4.31Å; V10-F246 HydrophobicContact CG1-CD1 4.09Å; V10-F246 HydrophobicContact CG1-CE1 3.98Å; V10-F246 HydrophobicContact CG2-CD1 4.29Å
11G93.6Very high82.7Confident3 Ų372.2 Ų72.23%0.03136%0.356CS..Hα-helixtrans-60.7-48-177.800000112.4S7 E8 E9 A13 V14 Q15 Q57S7-G11 PolarHBondContact O-N 3.08Å; S7-G11 VanDerWaalsContact O-N 3.1Å; E8-G11 PolarHBondContact O-N 3.46Å; E9-G11 VanDerWaalsContact C-N 3.31Å; E9-G11 PolarHBondContact O-N 3.24Å; G11-A13 VanDerWaalsContact C-N 3.34Å; G11-A13 PolarHBondContact O-N 2.84Å; G11-V14 PolarHBondContact O-N 3.25Å; G11-Q15 PolarHBondContact O-N 2.65Å; G11-Q57 VanDerWaalsContact CA-CG 3.47Å
12K94.8Very high85Confident134 Ų13468.3 Ų68.358%0.58333%0.333SS*.Hα-helixtrans-62.3-40.2175.2-70.7166.7-173.11570111.8E8 E9 V10 Q15 S16E8-K12 WeakPolarHBondContact O-CG 3.25Å; E8-K12 PolarHBondContact O-N 3.14Å; E8-K12 VanDerWaalsContact O-N 3.08Å; E8-K12 IonicContact OE2-NZ 2.73Å; E8-K12 PolarHBondContact OE2-NZ 2.95Å; E9-K12 PolarHBondContact O-N 3.4Å; V10-K12 PolarHBondContact O-N 3.43Å; K12-Q15 PolarHBondContact O-N 2.93Å; K12-S16 WeakPolarHBondContact O-CB 3.33Å; K12-S16 PolarHBondContact O-N 3.04Å
13A96.9Very high87.2Confident20 Ų2063.3 Ų63.317%0.16532%0.318CS..Hα-helixtrans-65.4-41.417900000112.5E9 V10 G11 S16 V17 I244E9-A13 VanDerWaalsContact O-CB 3.25Å; E9-A13 WeakPolarHBondContact O-CB 3.29Å; E9-A13 PolarHBondContact O-N 3Å; V10-A13 PolarHBondContact O-N 3.47Å; G11-A13 VanDerWaalsContact C-N 3.34Å; G11-A13 PolarHBondContact O-N 2.84Å; A13-S16 PolarHBondContact O-N 3.19Å; A13-V17 WeakPolarHBondContact O-CG2 3.26Å; A13-V17 PolarHBondContact O-N 2.83Å; A13-I244 WeakPolarHBondContact CB-O 3.37Å
14V97.3Very high89.2Confident0 Ų056.4 Ų56.40%029%0.288CS..Hα-helixtrans-58.5-50.4174171.20000110.8V10 G11 S16 V17 L18 A54 Q57 Q59 I245V10-V14 HydrophobicContact CG1-CG2 4.38Å; V10-V14 WeakPolarHBondContact O-CG2 3.25Å; V10-V14 PolarHBondContact O-N 2.93Å; G11-V14 PolarHBondContact O-N 3.25Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.41Å; V14-V17 PolarHBondContact O-N 3.01Å; V14-L18 HydrophobicContact CG1-CD1 3.8Å; V14-L18 HydrophobicContact CG1-CG 4.28Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 3.29Å; V14-A54 HydrophobicContact CG2-CB 3.76Å; V14-Q57 HydrophobicContact CB-CB 4.3Å; V14-Q57 HydrophobicContact CG1-CB 3.99Å; V14-Q59 HydrophobicContact CG1-CB 4.29Å; V14-I245 HydrophobicContact CG2-CG2 3.53Å
15Q97.4Very high91Very high85 Ų8553.6 Ų53.640%0.39727%0.274SS..Hα-helixtrans-60.8-41.7179.6-66.5-60.6-22.200112G11 K12 V17 L18 E19 Q57G11-Q15 PolarHBondContact O-N 2.65Å; K12-Q15 PolarHBondContact O-N 2.93Å; Q15-V17 PolarHBondContact O-N 2.85Å; Q15-L18 PolarHBondContact O-N 2.87Å; Q15-E19 PolarHBondContact O-N 2.66Å; Q15-Q57 PolarHBondContact NE2-O 2.92Å; Q15-Q57 VanDerWaalsContact NE2-O 3.16Å
16S97.4Very high92.6Very high64 Ų6455.4 Ų55.445%0.44829%0.289SS..Hα-helixtrans-59.5-45.7175.3178.90000112.3K12 A13 V14 E19 R20K12-S16 WeakPolarHBondContact O-CB 3.33Å; K12-S16 PolarHBondContact O-N 3.04Å; A13-S16 PolarHBondContact O-N 3.19Å; V14-S16 VanDerWaalsContact C-N 3.32Å; V14-S16 PolarHBondContact O-N 3.41Å; S16-E19 PolarHBondContact O-N 3.11Å; S16-R20 WeakPolarHBondContact O-CG 3.49Å; S16-R20 PolarHBondContact O-N 3.42Å
17V98Very high93.9Very high0 Ų059.1 Ų59.10%030%0.301CS..Hα-helixtrans-66.7-42177.6176.30000111.3A13 V14 Q15 E19 R20 V21 L39 F228 V241 I244 I245A13-V17 WeakPolarHBondContact O-CG2 3.26Å; A13-V17 PolarHBondContact O-N 2.83Å; V14-V17 PolarHBondContact O-N 3.01Å; Q15-V17 PolarHBondContact O-N 2.85Å; V17-E19 VanDerWaalsContact C-N 3.27Å; V17-E19 PolarHBondContact O-N 3.43Å; V17-R20 PolarHBondContact O-N 3.19Å; V17-V21 HydrophobicContact CG1-CG2 4.3Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.49Å; V17-V21 PolarHBondContact O-N 2.93Å; V17-L39 HydrophobicContact CB-CD2 4.28Å; V17-L39 HydrophobicContact CG1-CD1 3.68Å; V17-L39 HydrophobicContact CG1-CD2 3.7Å; V17-L39 HydrophobicContact CG1-CG 4.35Å; V17-F228 HydrophobicContact CG1-CE2 4.43Å; V17-F228 HydrophobicContact CG1-CZ 4.28Å; V17-V241 HydrophobicContact CG1-CB 4.27Å; V17-V241 HydrophobicContact CG1-CG1 4.15Å; V17-V241 HydrophobicContact CG1-CG2 4.11Å; V17-V241 HydrophobicContact CG2-CG1 4.21Å; V17-I244 HydrophobicContact CG2-CB 4.14Å; V17-I244 HydrophobicContact CG2-CG2 3.38Å; V17-I245 HydrophobicContact CB-CG1 4.41Å; V17-I245 HydrophobicContact CG2-CG1 3.89Å
18L97.8Very high95.2Very high43 Ų4359 Ų5923%0.22530%0.296CS..Hα-helixtrans-59.2-40.2176.5-73.7171.5000111.8V14 Q15 V21 K22 L39V14-L18 HydrophobicContact CG1-CD1 3.8Å; V14-L18 HydrophobicContact CG1-CG 4.28Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 3.29Å; Q15-L18 PolarHBondContact O-N 2.87Å; L18-V21 PolarHBondContact O-N 3.3Å; L18-K22 WeakPolarHBondContact O-CG 3.26Å; L18-K22 PolarHBondContact O-N 3.02Å; L18-L39 HydrophobicContact CD2-CB 4.24Å; L18-L39 HydrophobicContact CD2-CD2 3.67Å; L18-L39 HydrophobicContact CG-CD2 4Å
19E97.8Very high96Very high84 Ų8456.9 Ų56.939%0.39329%0.292SS..Hα-helixtrans-66.1-44.4176.3-175.552.5-148.600111.8Q15 S16 V17 V21 K22 Q23Q15-E19 PolarHBondContact O-N 2.66Å; S16-E19 PolarHBondContact O-N 3.11Å; V17-E19 VanDerWaalsContact C-N 3.27Å; V17-E19 PolarHBondContact O-N 3.43Å; E19-V21 VanDerWaalsContact C-N 3.3Å; E19-V21 PolarHBondContact O-N 2.84Å; E19-K22 WeakPolarHBondContact O-CB 3.3Å; E19-K22 PolarHBondContact O-N 2.92Å; E19-K22 VanDerWaalsContact O-N 3.13Å; E19-Q23 WeakPolarHBondContact O-CG 3.25Å; E19-Q23 PolarHBondContact O-N 2.71Å; E19-Q23 PolarHBondContact OE1-NE2 3Å
20R98.1Very high96.1Very high75 Ų7561 Ų6128%0.28331%0.308SS..Hα-helixtrans-61.6-37.9174.7-68.8167.763.7-172.8-0.8112.5S16 V17 Q23 A24 F228 E229S16-R20 WeakPolarHBondContact O-CG 3.49Å; S16-R20 PolarHBondContact O-N 3.42Å; V17-R20 PolarHBondContact O-N 3.19Å; R20-Q23 PolarHBondContact O-N 3.49Å; R20-A24 WeakPolarHBondContact O-CB 3.36Å; R20-A24 PolarHBondContact O-N 2.81Å; R20-F228 HydrophobicContact CB-CE2 3.99Å; R20-F228 HydrophobicContact CB-CZ 3.79Å; R20-E229 IonicContact CZ-OE1 3.63Å; R20-E229 IonicContact NE-OE1 3.73Å; R20-E229 PolarHBondContact NE-OE1 3.28Å; R20-E229 IonicContact NH2-OE1 3.23Å; R20-E229 PolarHBondContact NH2-OE1 3.35Å
21V98.1Very high95.9Very high8 Ų867 Ų675%0.04835%0.345CS..Hα-helixtrans-61.2-45173.1167.20000110.9V17 L18 E19 A25 P37 F228 I232 V239V17-V21 HydrophobicContact CG1-CG2 4.3Å; V17-V21 VanDerWaalsContact O-CG2 3.3Å; V17-V21 WeakPolarHBondContact O-CG2 3.49Å; V17-V21 PolarHBondContact O-N 2.93Å; L18-V21 PolarHBondContact O-N 3.3Å; E19-V21 VanDerWaalsContact C-N 3.3Å; E19-V21 PolarHBondContact O-N 2.84Å; V21-A25 VanDerWaalsContact O-CB 3.3Å; V21-A25 WeakPolarHBondContact O-CB 3.3Å; V21-A25 PolarHBondContact O-N 3.25Å; V21-P37 HydrophobicContact CG1-CB 4.08Å; V21-P37 HydrophobicContact CG1-CG 4.47Å; V21-F228 HydrophobicContact CG2-CD2 4.02Å; V21-F228 HydrophobicContact CG2-CE2 3.79Å; V21-I232 HydrophobicContact CB-CD1 4.16Å; V21-I232 HydrophobicContact CG1-CD1 3.95Å; V21-I232 HydrophobicContact CG2-CD1 3.96Å; V21-V239 HydrophobicContact CG2-CG2 4.12Å
22K97Very high95.7Very high129 Ų12968.8 Ų68.856%0.56135%0.353SS*.Hα-helixtrans-62.5-44.4176.5-70.2172-171.4170.70111.8L18 E19 A25 A26L18-K22 WeakPolarHBondContact O-CG 3.26Å; L18-K22 PolarHBondContact O-N 3.02Å; E19-K22 WeakPolarHBondContact O-CB 3.3Å; E19-K22 PolarHBondContact O-N 2.92Å; E19-K22 VanDerWaalsContact O-N 3.13Å; K22-A25 WeakPolarHBondContact O-CB 3.47Å; K22-A25 PolarHBondContact O-N 2.86Å; K22-A26 PolarHBondContact O-N 3.24Å
23Q97.4Very high95.2Very high87 Ų8763.2 Ų63.241%0.40733%0.331SS..Hα-helixtrans-63.7-45.5179.1-69.6174.87.100111.8E19 R20 A25 A26 R27E19-Q23 WeakPolarHBondContact O-CG 3.25Å; E19-Q23 PolarHBondContact O-N 2.71Å; E19-Q23 PolarHBondContact OE1-NE2 3Å; R20-Q23 PolarHBondContact O-N 3.49Å; Q23-A25 VanDerWaalsContact C-N 3.31Å; Q23-A25 PolarHBondContact O-N 3.35Å; Q23-A26 PolarHBondContact O-N 3.44Å; Q23-R27 WeakPolarHBondContact O-CG 3.4Å; Q23-R27 PolarHBondContact O-N 3.42Å
24A97Very high94.7Very high0 Ų067.6 Ų67.60%037%0.367CS..Hα-helixtrans-62.4-39.4174.400000111.8R20 A26 R27 R28 E229 I232 E233R20-A24 WeakPolarHBondContact O-CB 3.36Å; R20-A24 PolarHBondContact O-N 2.81Å; A24-A26 VanDerWaalsContact C-N 3.3Å; A24-A26 PolarHBondContact O-N 3.42Å; A24-R27 PolarHBondContact O-N 3.43Å; A24-R27 VanDerWaalsContact O-N 3.14Å; A24-R28 PolarHBondContact O-N 3.43Å; A24-E229 HydrophobicContact CB-CB 4.02Å; A24-E229 HydrophobicContact CB-CG 4.19Å; A24-I232 HydrophobicContact CB-CB 3.9Å; A24-I232 HydrophobicContact CB-CD1 4.07Å; A24-I232 HydrophobicContact CB-CG2 3.74Å; A24-E233 HydrophobicContact CB-CG 4.48Å
25A96.6Very high94.3Very high33 Ų3369.7 Ų69.727%0.27338%0.38SS..Hα-helixtrans-63.5-36.1176.100000112.2V21 K22 Q23 R27 R28 P37 I232V21-A25 VanDerWaalsContact O-CB 3.3Å; V21-A25 WeakPolarHBondContact O-CB 3.3Å; V21-A25 PolarHBondContact O-N 3.25Å; K22-A25 WeakPolarHBondContact O-CB 3.47Å; K22-A25 PolarHBondContact O-N 2.86Å; Q23-A25 VanDerWaalsContact C-N 3.31Å; Q23-A25 PolarHBondContact O-N 3.35Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 2.7Å; A25-R28 WeakPolarHBondContact O-CB 3.43Å; A25-R28 PolarHBondContact O-N 3.44Å; A25-P37 HydrophobicContact CB-CG 3.94Å; A25-I232 HydrophobicContact CB-CG2 4.19Å
26A95.6Very high94.1Very high88 Ų8872 Ų7273%0.72740%0.399SS*.Hα-helixtrans-69.2-26.5175.300000113.2K22 Q23 A24 R28K22-A26 PolarHBondContact O-N 3.24Å; Q23-A26 PolarHBondContact O-N 3.44Å; A24-A26 VanDerWaalsContact C-N 3.3Å; A24-A26 PolarHBondContact O-N 3.42Å; A26-R28 VanDerWaalsContact C-N 3.34Å
27R94.9Very high94Very high115 Ų11569.4 Ų69.443%0.43438%0.381SS..Hα-helixtrans-83-8.8174.8-65.5-173.6-59.8-108.27.7113.5Q23 A24 A25 E229 E233Q23-R27 WeakPolarHBondContact O-CG 3.4Å; Q23-R27 PolarHBondContact O-N 3.42Å; A24-R27 PolarHBondContact O-N 3.43Å; A24-R27 VanDerWaalsContact O-N 3.14Å; A25-R27 VanDerWaalsContact C-N 3.3Å; A25-R27 PolarHBondContact O-N 2.7Å; R27-E229 IonicContact NH2-OE2 2.92Å; R27-E229 PolarHBondContact NH2-OE2 2.97Å; R27-E233 HydrophobicContact CB-CG 4.14Å; R27-E233 IonicContact CZ-OE1 2.82Å; R27-E233 VanDerWaalsContact CZ-OE1 3.23Å; R27-E233 IonicContact NE-OE1 2.72Å; R27-E233 PolarHBondContact NE-OE1 3.3Å; R27-E233 IonicContact NH2-OE1 2.75Å; R27-E233 PolarHBondContact NH2-OE1 3.18Å
28R93.9Very high94Very high28 Ų2871.8 Ų71.811%0.10639%0.39CS..SBendtrans-58.8131.9179.8-178.7176.7-76.3170.92.8111.1A24 A25 A26 L32 V35 I232 A236A24-R28 PolarHBondContact O-N 3.43Å; A25-R28 WeakPolarHBondContact O-CB 3.43Å; A25-R28 PolarHBondContact O-N 3.44Å; A26-R28 VanDerWaalsContact C-N 3.34Å; R28-L32 HydrophobicContact CG-CB 4.09Å; R28-L32 HydrophobicContact CG-CD1 3.96Å; R28-V35 PolarHBondContact NH1-O 2.98Å; R28-I232 PolarHBondContact NE-O 3.37Å; R28-I232 PolarHBondContact NH2-O 2.92Å; R28-A236 PolarHBondContact NH2-O 2.91Å
29P92.7Very high94.1Very high65 Ų6570.1 Ų70.142%0.42238%0.381SS..  trans-57.5138.7173.9-25.634.3000112.6T31 L32 E233P29-T31 PolarHBondContact O-N 3.18Å; P29-T31 VanDerWaalsContact O-N 3.09Å; P29-L32 PolarHBondContact O-N 3.14Å; P29-E233 WeakPolarHBondContact CD-O 3.33Å
30K91.3Very high94.1Very high217 Ų21766.1 Ų66.194%0.94336%0.362SS*.THydrogen-bonded Turntrans-64-13.4177.3-64.9-175.3179.8-179.60114.1
31T90Very high94.1Very high130 Ų13062.5 Ų62.580%0.79835%0.349SS*.THydrogen-bonded Turntrans-73.3-15.7174.150.50000112.8P29P29-T31 PolarHBondContact O-N 3.18Å; P29-T31 VanDerWaalsContact O-N 3.09Å
32L89Confident94.1Very high39 Ų3962.9 Ų62.920%0.20435%0.351CS..SBendtrans-94.2152.4175.8-63.8178.6000111.1R28 P29 A34 V234R28-L32 HydrophobicContact CG-CB 4.09Å; R28-L32 HydrophobicContact CG-CD1 3.96Å; P29-L32 PolarHBondContact O-N 3.14Å; L32-A34 PolarHBondContact O-N 3.36Å; L32-V234 WeakPolarHBondContact CD1-O 3.36Å
33P85.3Confident94.2Very high17 Ų1756.7 Ų56.711%0.1132%0.324CS..  trans-50.2134.6173.4-32.538.2000113.9V35 M215 E216P33-V35 HydrophobicContact CB-CG2 3.96Å; P33-V35 PolarHBondContact O-N 3.39Å; P33-M215 HydrophobicContact CG-CB 4.45Å; P33-M215 HydrophobicContact CG-CG 4Å; P33-M215 HydrophobicContact CG-SD 3.94Å; P33-E216 HydrophobicContact CB-CG 4.15Å
34A86.8Confident94.1Very high112 Ų11254.7 Ų54.793%0.92631%0.314SS*.  trans-75.873177.100000111.2L32L32-A34 PolarHBondContact O-N 3.36Å
35V88.4Confident94Very high45 Ų4557 Ų5727%0.27333%0.328SS..  trans-113.4127.6-179.6-179.20000110.1R28 P33 P37 T237R28-V35 PolarHBondContact NH1-O 2.98Å; P33-V35 HydrophobicContact CB-CG2 3.96Å; P33-V35 PolarHBondContact O-N 3.39Å; V35-P37 VanDerWaalsContact O-CD 3.31Å; V35-P37 WeakPolarHBondContact O-CD 3.39Å; V35-T237 HydrophobicContact CB-CG2 4.13Å; V35-T237 HydrophobicContact CG1-CG2 3.85Å
36V92.2Very high93.9Very high133 Ų13356.1 Ų56.181%0.80632%0.318SS*.PPolyproline II helixtrans-67.8118.6173.4-179.30000109.1R38V36-R38 PolarHBondContact O-N 3.13Å
37P96.5Very high93.9Very high9 Ų954.4 Ų54.46%0.05830%0.299CS..PPolyproline II helixtrans-65135-179.6-18.731.2000111.8V21 A25 V35 I232 T237V21-P37 HydrophobicContact CG1-CB 4.08Å; V21-P37 HydrophobicContact CG1-CG 4.47Å; A25-P37 HydrophobicContact CB-CG 3.94Å; V35-P37 VanDerWaalsContact O-CD 3.31Å; V35-P37 WeakPolarHBondContact O-CD 3.39Å; P37-I232 HydrophobicContact CB-CD1 4.18Å; P37-I232 HydrophobicContact CB-CG1 3.99Å; P37-I232 HydrophobicContact CG-CB 4.5Å; P37-I232 HydrophobicContact CG-CD1 4.34Å; P37-I232 HydrophobicContact CG-CG1 4.04Å; P37-I232 HydrophobicContact CG-CG2 3.7Å; P37-T237 CarbonylContact C-O 3.59Å; P37-T237 WeakPolarHBondContact CA-O 3.43Å
38R98Very high94Very high51 Ų5150.3 Ų50.319%0.19229%0.288CS..EExtended strand (participates in β ladder)trans-84.1121.9173.2-172.1-176-57.3137.83109.6V36 V40 N61 E219 T237 N238 V239V36-R38 PolarHBondContact O-N 3.13Å; R38-V40 HydrophobicContact CG-CG2 4.49Å; R38-N61 HydrophobicContact CG-CB 4.34Å; R38-N61 WeakPolarHBondContact CG-ND2 3.3Å; R38-E219 IonicContact CZ-OE1 3.52Å; R38-E219 IonicContact CZ-OE2 3.71Å; R38-E219 IonicContact NH1-OE1 3.55Å; R38-E219 IonicContact NH1-OE2 3.62Å; R38-E219 PolarHBondContact NH1-OE2 3.39Å; R38-E219 IonicContact NH2-OE1 2.61Å; R38-E219 PolarHBondContact NH2-OE1 3.4Å; R38-E219 IonicContact NH2-OE2 3.34Å; R38-E219 PolarHBondContact NH2-OE2 3.07Å; R38-T237 PolarHBondContact N-O 3.05Å; R38-N238 VanDerWaalsContact CD-OD1 3.26Å; R38-N238 WeakPolarHBondContact CD-OD1 3.36Å; R38-N238 PolarHBondContact NH1-OD1 2.96Å; R38-N238 WeakPolarHBondContact O-CA 3.39Å; R38-V239 PolarHBondContact O-N 3.49Å
39L98.7Very high94.1Very high7 Ų752.3 Ų52.34%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-79.5121.4165.4177.760.8000109.6V17 L18 Q59 V239 V241 I245V17-L39 HydrophobicContact CB-CD2 4.28Å; V17-L39 HydrophobicContact CG1-CD1 3.68Å; V17-L39 HydrophobicContact CG1-CD2 3.7Å; V17-L39 HydrophobicContact CG1-CG 4.35Å; L18-L39 HydrophobicContact CD2-CB 4.24Å; L18-L39 HydrophobicContact CD2-CD2 3.67Å; L18-L39 HydrophobicContact CG-CD2 4Å; L39-Q59 PolarHBondContact O-NE2 3.2Å; L39-V239 HydrophobicContact CD1-CG2 4.11Å; L39-V241 HydrophobicContact CD1-CB 3.83Å; L39-V241 HydrophobicContact CD1-CG2 3.64Å; L39-I245 HydrophobicContact CD1-CD1 4.49Å; L39-I245 HydrophobicContact CD2-CD1 4.26Å
40V98.8Very high94.3Very high0 Ų049.9 Ų49.90%028%0.284CS..EExtended strand (participates in β ladder)trans-102.9108.6168.8-176.80000108R38 V42 N61 H89 V239 R240 V241R38-V40 HydrophobicContact CG-CG2 4.49Å; V40-V42 PolarHBondContact O-N 3.11Å; V40-N61 HydrophobicContact CG2-CB 4.42Å; V40-H89 HydrophobicContact CG1-CB 4.01Å; V40-V239 PolarHBondContact N-O 3.01Å; V40-R240 HydrophobicContact CB-CG 4.3Å; V40-R240 WeakPolarHBondContact O-CA 3.08Å; V40-V241 PolarHBondContact O-N 3.3Å
41A98.6Very high94.6Very high0 Ų039.6 Ų39.60%024%0.239CC..EExtended strand (participates in β ladder)trans-78.2111.6179.600000109.7S43 Q59 N61 F62 G63 V241 I245 F246A41-S43 PolarHBondContact O-N 3.2Å; A41-Q59 HydrophobicContact CB-CG 3.78Å; A41-N61 PolarHBondContact N-O 3.1Å; A41-F62 HydrophobicContact CB-CD1 4.01Å; A41-F62 HydrophobicContact CB-CE1 4.15Å; A41-F62 CarbonylContact O-C 3.57Å; A41-F62 VanDerWaalsContact O-CA 3.3Å; A41-F62 WeakPolarHBondContact O-CA 3.38Å; A41-G63 PolarHBondContact O-N 3.2Å; A41-V241 WeakPolarHBondContact CA-O 3.46Å; A41-I245 HydrophobicContact CB-CD1 3.91Å; A41-F246 HydrophobicContact CB-CE2 3.99Å; A41-F246 HydrophobicContact CB-CZ 4.09Å
42V98.3Very high94.9Very high15 Ų1533.5 Ų33.59%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-85.1100-174.3-178.60000110V40 K44 G63 I91 R240 V241 G242 F246V40-V42 PolarHBondContact O-N 3.11Å; V42-K44 HydrophobicContact CG1-CD 4.08Å; V42-K44 HydrophobicContact CG1-CG 4.06Å; V42-G63 WeakPolarHBondContact CA-O 3.32Å; V42-I91 HydrophobicContact CB-CD1 4.42Å; V42-I91 HydrophobicContact CG1-CD1 3.96Å; V42-I91 HydrophobicContact CG2-CD1 3.67Å; V42-R240 HydrophobicContact CG2-CB 3.81Å; V42-V241 PolarHBondContact N-O 3.29Å; V42-G242 WeakPolarHBondContact O-CA 3.33Å; V42-F246 VanDerWaalsContact O-CD2 3.25Å; V42-F246 WeakPolarHBondContact O-CD2 3.48Å; V42-F246 WeakPolarHBondContact O-CE2 3.35Å
43S97.3Very high95.3Very high0 Ų032.6 Ų32.60%020%0.197CC..  trans-97.49.2-172.8460000114.4A41 T45 K46 G63 E64 K73A41-S43 PolarHBondContact O-N 3.2Å; S43-T45 PolarHBondContact O-N 3.43Å; S43-K46 WeakPolarHBondContact O-CA 3.34Å; S43-K46 WeakPolarHBondContact O-CB 3.13Å; S43-K46 WeakPolarHBondContact O-CG 3.21Å; S43-K46 PolarHBondContact O-N 3.05Å; S43-G63 PolarHBondContact N-O 3.15Å; S43-G63 VanDerWaalsContact N-O 3.12Å; S43-E64 VanDerWaalsContact C-OE1 3.29Å; S43-E64 WeakPolarHBondContact CB-OE1 3.11Å; S43-E64 PolarHBondContact OG-OE1 3.32Å; S43-K73 PolarHBondContact O-NZ 3.46Å
44K95.8Very high95.9Very high44 Ų4431.8 Ų31.819%0.19119%0.191CC..THydrogen-bonded Turntrans-50.9139.817676-173.1175.9-175.10112.2V42 K46 E64 N65V42-K44 HydrophobicContact CG1-CD 4.08Å; V42-K44 HydrophobicContact CG1-CG 4.06Å; K44-K46 PolarHBondContact O-N 2.85Å; K44-E64 WeakPolarHBondContact CA-OE2 3.46Å; K44-E64 PolarHBondContact N-OE2 3.14Å; K44-N65 HydrophobicContact CB-CB 4.36Å; K44-N65 HydrophobicContact CD-CB 3.84Å; K44-N65 WeakPolarHBondContact CD-OD1 3.35Å; K44-N65 PolarHBondContact NZ-ND2 3.06Å
45T94.9Very high96.5Very high48 Ų4827.3 Ų27.329%0.29415%0.151SC..THydrogen-bonded Turntrans57.817.9-173.883.40000114.7S43 Y66 E69S43-T45 PolarHBondContact O-N 3.43Å; T45-Y66 HydrophobicContact CG2-CE2 4.49Å; T45-E69 WeakPolarHBondContact CA-OE1 3.5Å; T45-E69 PolarHBondContact N-OE1 3.34Å; T45-E69 PolarHBondContact N-OE2 2.88Å
46K95.6Very high96.9Very high16 Ų1632.8 Ų32.87%0.0717%0.166CC..  trans-108.3142.5178.6-54.4-62.9175.8165.10111.7S43 K44 M50 K73 F246 G247 N248S43-K46 WeakPolarHBondContact O-CA 3.34Å; S43-K46 WeakPolarHBondContact O-CB 3.13Å; S43-K46 WeakPolarHBondContact O-CG 3.21Å; S43-K46 PolarHBondContact O-N 3.05Å; K44-K46 PolarHBondContact O-N 2.85Å; K46-M50 HydrophobicContact CB-SD 4.2Å; K46-M50 HydrophobicContact CD-SD 3.99Å; K46-K73 WeakPolarHBondContact O-CE 3.21Å; K46-K73 PolarHBondContact O-NZ 3.3Å; K46-K73 VanDerWaalsContact O-NZ 3.17Å; K46-F246 HydrophobicContact CD-CB 3.76Å; K46-F246 WeakPolarHBondContact CE-O 3.43Å; K46-F246 HydrophobicContact CG-CB 3.74Å; K46-F246 HydrophobicContact CG-CD1 4.46Å; K46-F246 HydrophobicContact CG-CD2 4.47Å; K46-F246 HydrophobicContact CG-CG 4Å; K46-F246 PolarHBondContact NZ-O 3.24Å; K46-G247 PolarHBondContact NZ-O 3.36Å; K46-N248 PolarHBondContact NZ-O 3.28Å
47P95.3Very high97.1Very high51 Ų5129.5 Ų29.533%0.33114%0.142SC..  trans-68.9155.2179.929.3-35.9000112D49 M50P47-D49 PolarHBondContact O-N 2.91Å; P47-M50 HydrophobicContact CG-CG 4.01Å; P47-M50 HydrophobicContact CG-SD 4.03Å; P47-M50 PolarHBondContact O-N 3.38Å; P47-M50 VanDerWaalsContact O-N 3.13Å
48P96.3Very high97.1Very high29 Ų2931.2 Ų31.219%0.18816%0.162CC..Hα-helixtrans-49.3-39.3175.4-32.238.1000115M50 I51 V52 D76 L78 I79P48-M50 VanDerWaalsContact C-N 3.25Å; P48-M50 PolarHBondContact O-N 3.22Å; P48-I51 WeakPolarHBondContact O-CB 3.23Å; P48-I51 PolarHBondContact O-N 3.05Å; P48-V52 PolarHBondContact O-N 3.05Å; P48-D76 WeakPolarHBondContact CG-OD2 3.3Å; P48-L78 HydrophobicContact CB-CD2 4.1Å; P48-I79 HydrophobicContact CB-CD1 4.02Å; P48-I79 HydrophobicContact CB-CG1 4.04Å
49D95.8Very high97.1Very high71 Ų7129.1 Ų29.138%0.3815%0.154SC..Hα-helixtrans-51.7-42.1178.8-71.2-31.3000112.4K3 P47 V52 E53 L78K3-D49 IonicContact NZ-OD2 3.98Å; K3-D49 PolarHBondContact NZ-OD2 2.78Å; P47-D49 PolarHBondContact O-N 2.91Å; D49-V52 PolarHBondContact O-N 3.32Å; D49-E53 PolarHBondContact O-N 3.45Å; D49-E53 VanDerWaalsContact O-N 3.12Å; D49-L78 WeakPolarHBondContact OD1-CD2 3.31Å
50M96.6Very high97.1Very high14 Ų1432 Ų327%0.06916%0.164CC..Hα-helixtrans-72.2-31.2179.9-66-18089.200112.5M6 V10 K46 P47 P48 A54 F246M6-M50 HydrophobicContact CE-CE 4.45Å; V10-M50 HydrophobicContact CG2-CB 4.28Å; V10-M50 HydrophobicContact CG2-CE 3.28Å; V10-M50 HydrophobicContact CG2-CG 4.17Å; K46-M50 HydrophobicContact CB-SD 4.2Å; K46-M50 HydrophobicContact CD-SD 3.99Å; P47-M50 HydrophobicContact CG-CG 4.01Å; P47-M50 HydrophobicContact CG-SD 4.03Å; P47-M50 PolarHBondContact O-N 3.38Å; P47-M50 VanDerWaalsContact O-N 3.13Å; P48-M50 VanDerWaalsContact C-N 3.25Å; P48-M50 PolarHBondContact O-N 3.22Å; M50-A54 PolarHBondContact O-N 3.08Å; M50-F246 HydrophobicContact CB-CD1 3.99Å; M50-F246 HydrophobicContact CB-CE1 4.21Å; M50-F246 HydrophobicContact CE-CB 3.94Å; M50-F246 HydrophobicContact CE-CD1 4.07Å; M50-F246 WeakPolarHBondContact CE-O 3.39Å
51I97.8Very high97.1Very high0 Ų033.1 Ų33.10%017%0.17CC..Hα-helixtrans-69.1-45176.7-64.4163.9000109.4P48 E53 A54 Y55 F62 K73 I79 I86 W88P48-I51 WeakPolarHBondContact O-CB 3.23Å; P48-I51 PolarHBondContact O-N 3.05Å; I51-E53 VanDerWaalsContact C-N 3.29Å; I51-E53 PolarHBondContact O-N 3.19Å; I51-A54 PolarHBondContact O-N 2.77Å; I51-Y55 WeakPolarHBondContact O-CB 3.42Å; I51-Y55 PolarHBondContact O-N 3.46Å; I51-F62 HydrophobicContact CB-CE1 4.4Å; I51-F62 HydrophobicContact CG2-CD1 3.98Å; I51-F62 HydrophobicContact CG2-CE1 3.79Å; I51-F62 HydrophobicContact CG2-CG 4.43Å; I51-F62 HydrophobicContact CG2-CZ 4.06Å; I51-K73 HydrophobicContact CD1-CD 3.79Å; I51-K73 HydrophobicContact CD1-CG 4.37Å; I51-I79 HydrophobicContact CB-CD1 3.89Å; I51-I79 HydrophobicContact CD1-CD1 4.4Å; I51-I79 HydrophobicContact CG2-CD1 3.71Å; I51-I86 HydrophobicContact CG2-CD1 3.79Å; I51-W88 HydrophobicContact CD1-CH2 4.16Å; I51-W88 HydrophobicContact CG2-CH2 4.46Å
52V97.9Very high97.1Very high3 Ų333.1 Ų33.12%0.01817%0.17CC..Hα-helixtrans-58.3-43.4175.7174.60000111P48 D49 Y55 R56 L78 I79P48-V52 PolarHBondContact O-N 3.05Å; D49-V52 PolarHBondContact O-N 3.32Å; V52-Y55 WeakPolarHBondContact O-CB 3.1Å; V52-Y55 PolarHBondContact O-N 3.33Å; V52-R56 WeakPolarHBondContact O-CG 3.32Å; V52-R56 PolarHBondContact O-N 3.39Å; V52-L78 HydrophobicContact CG2-CD1 4.33Å; V52-L78 HydrophobicContact CG2-CD2 4.08Å; V52-L78 HydrophobicContact CG2-CG 3.83Å; V52-I79 HydrophobicContact CG2-CD1 4.13Å
53E96.8Very high97.2Very high20 Ų2032.4 Ų32.49%0.09317%0.166CC..Hα-helixtrans-64.6-47.4178.7-176.651.2-138.500112.6S7 V10 D49 I51 Y55 R56 Q57S7-E53 WeakPolarHBondContact O-CG 3.31Å; S7-E53 WeakPolarHBondContact OG-CG 3.34Å; S7-E53 PolarHBondContact OG-OE2 3.17Å; V10-E53 HydrophobicContact CB-CG 4.16Å; V10-E53 HydrophobicContact CG1-CB 4.4Å; V10-E53 HydrophobicContact CG1-CG 4.32Å; D49-E53 PolarHBondContact O-N 3.45Å; D49-E53 VanDerWaalsContact O-N 3.12Å; I51-E53 VanDerWaalsContact C-N 3.29Å; I51-E53 PolarHBondContact O-N 3.19Å; E53-Y55 PolarHBondContact O-N 2.9Å; E53-R56 WeakPolarHBondContact O-CB 3.43Å; E53-R56 PolarHBondContact O-N 2.89Å; E53-R56 IonicContact OE2-NH1 3.48Å; E53-R56 PolarHBondContact OE2-NH1 3.49Å; E53-Q57 PolarHBondContact O-N 3.13Å; E53-Q57 PolarHBondContact OE1-NE2 3.03Å
54A97.8Very high97.2Very high0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-57.9-38.7173.200000111.6V10 V14 M50 I51 Q57 Q59 F62 F246V10-A54 HydrophobicContact CG1-CB 4Å; V14-A54 HydrophobicContact CG2-CB 3.76Å; M50-A54 PolarHBondContact O-N 3.08Å; I51-A54 PolarHBondContact O-N 2.77Å; A54-Q57 WeakPolarHBondContact O-CB 3.35Å; A54-Q57 PolarHBondContact O-N 3.01Å; A54-Q59 HydrophobicContact CB-CB 4.37Å; A54-Q59 WeakPolarHBondContact O-CB 3.38Å; A54-Q59 PolarHBondContact O-N 2.71Å; A54-F62 HydrophobicContact CB-CE1 3.8Å; A54-F62 HydrophobicContact CB-CZ 3.92Å; A54-F246 HydrophobicContact CB-CE1 4.1Å; A54-F246 HydrophobicContact CB-CZ 4.22Å
55Y98.3Very high97.3Very high18 Ų1832 Ų327%0.07117%0.166CC..Hα-helixtrans-63.6-40.1177.9-175.3-84.3000112.8I51 V52 E53 Q57 G58 Q59 R60 F62 S82 C83 E85 I86I51-Y55 WeakPolarHBondContact O-CB 3.42Å; I51-Y55 PolarHBondContact O-N 3.46Å; V52-Y55 WeakPolarHBondContact O-CB 3.1Å; V52-Y55 PolarHBondContact O-N 3.33Å; E53-Y55 PolarHBondContact O-N 2.9Å; Y55-Q57 PolarHBondContact O-N 2.9Å; Y55-G58 PolarHBondContact O-N 3.44Å; Y55-Q59 WeakPolarHBondContact CA-O 3.4Å; Y55-Q59 WeakPolarHBondContact CD2-O 3.34Å; Y55-R60 VanDerWaalsContact CZ-CZ 3.44Å; Y55-R60 PolarHBondContact O-NH1 2.91Å; Y55-F62 HydrophobicContact CD2-CE2 4.31Å; Y55-S82 WeakPolarHBondContact CD1-O 3.49Å; Y55-S82 VanDerWaalsContact CE1-O 3.31Å; Y55-S82 WeakPolarHBondContact CE1-O 3.27Å; Y55-C83 HydrophobicContact CD1-CB 4.36Å; Y55-C83 HydrophobicContact CD2-CB 3.69Å; Y55-C83 HydrophobicContact CE2-CB 3.82Å; Y55-C83 HydrophobicContact CG-CB 3.97Å; Y55-C83 VanDerWaalsContact CG-SG 3.57Å; Y55-E85 WeakPolarHBondContact OH-CB 3.44Å; Y55-E85 PolarHBondContact OH-N 3.32Å; Y55-E85 VanDerWaalsContact OH-N 3.14Å; Y55-E85 PolarHBondContact OH-OE2 3.14Å; Y55-I86 HydrophobicContact CE2-CB 4.45Å
56R97.1Very high97.5Very high160 Ų16035.6 Ų35.660%0.60418%0.175SC*.Hα-helixtrans-60.7-28.5174.8-72.7175.6-175.1143.51.6112.7V52 E53 G58V52-R56 WeakPolarHBondContact O-CG 3.32Å; V52-R56 PolarHBondContact O-N 3.39Å; E53-R56 WeakPolarHBondContact O-CB 3.43Å; E53-R56 PolarHBondContact O-N 2.89Å; E53-R56 IonicContact OE2-NH1 3.48Å; E53-R56 PolarHBondContact OE2-NH1 3.49Å; R56-G58 PolarHBondContact O-N 3.3Å
57Q96.9Very high97.6Very high63 Ų6335.2 Ų35.229%0.29417%0.174SC..THydrogen-bonded Turntrans-78.56.4173.7-58.3-50.9-39.800114.3G11 V14 Q15 E53 A54 Y55G11-Q57 VanDerWaalsContact CA-CG 3.47Å; V14-Q57 HydrophobicContact CB-CB 4.3Å; V14-Q57 HydrophobicContact CG1-CB 3.99Å; Q15-Q57 PolarHBondContact NE2-O 2.92Å; Q15-Q57 VanDerWaalsContact NE2-O 3.16Å; E53-Q57 PolarHBondContact O-N 3.13Å; E53-Q57 PolarHBondContact OE1-NE2 3.03Å; A54-Q57 WeakPolarHBondContact O-CB 3.35Å; A54-Q57 PolarHBondContact O-N 3.01Å; Y55-Q57 PolarHBondContact O-N 2.9Å
58G96.9Very high97.7Very high46 Ų4636.8 Ų36.847%0.47418%0.18SC..THydrogen-bonded Turntrans90.90.4-179.800000114.3Y55 R56 R60Y55-G58 PolarHBondContact O-N 3.44Å; R56-G58 PolarHBondContact O-N 3.3Å; G58-R60 PolarHBondContact O-N 2.98Å
59Q98.4Very high97.8Very high6 Ų637.2 Ų37.23%0.02818%0.179CC..  trans-65.1135.5173.4-172.457.530.800109.7V14 L39 A41 A54 Y55 N61 F62V14-Q59 HydrophobicContact CG1-CB 4.29Å; L39-Q59 PolarHBondContact O-NE2 3.2Å; A41-Q59 HydrophobicContact CB-CG 3.78Å; A54-Q59 HydrophobicContact CB-CB 4.37Å; A54-Q59 WeakPolarHBondContact O-CB 3.38Å; A54-Q59 PolarHBondContact O-N 2.71Å; Y55-Q59 WeakPolarHBondContact CA-O 3.4Å; Y55-Q59 WeakPolarHBondContact CD2-O 3.34Å; Q59-N61 PolarHBondContact NE2-O 3.44Å; Q59-F62 HydrophobicContact CB-CE2 4.28Å; Q59-F62 HydrophobicContact CB-CZ 3.94Å; Q59-F62 HydrophobicContact CG-CE1 4.09Å; Q59-F62 HydrophobicContact CG-CE2 3.86Å; Q59-F62 HydrophobicContact CG-CZ 3.63Å
60R98.4Very high97.9Very high67 Ų6733.9 Ų33.925%0.25316%0.161SC..  trans-126.1-29.5178.8-66.7-66.3-179-862.4113.6Y55 G58 F62 E85 K87Y55-R60 VanDerWaalsContact CZ-CZ 3.44Å; Y55-R60 PolarHBondContact O-NH1 2.91Å; G58-R60 PolarHBondContact O-N 2.98Å; R60-F62 WeakPolarHBondContact O-CD2 3.31Å; R60-E85 IonicContact CZ-OE2 3.26Å; R60-E85 IonicContact NE-OE2 2.66Å; R60-E85 PolarHBondContact NE-OE2 3.27Å; R60-E85 VanDerWaalsContact NE-OE2 3.16Å; R60-E85 IonicContact NH2-OE2 3Å; R60-E85 PolarHBondContact NH2-OE2 3.34Å; R60-K87 PolarHBondContact O-N 3.27Å
61N98.8Very high98Very high24 Ų2434.5 Ų34.513%0.12817%0.166CC..EExtended strand (participates in β ladder)trans-96.1118.1-177-52.2-77.3000110R38 V40 A41 Q59 K87 H89R38-N61 HydrophobicContact CG-CB 4.34Å; R38-N61 WeakPolarHBondContact CG-ND2 3.3Å; V40-N61 HydrophobicContact CG2-CB 4.42Å; A41-N61 PolarHBondContact N-O 3.1Å; Q59-N61 PolarHBondContact NE2-O 3.44Å; N61-K87 WeakPolarHBondContact CA-O 3.13Å; N61-K87 WeakPolarHBondContact OD1-CD 3.17Å; N61-H89 PolarHBondContact OD1-NE2 3Å
62F98.8Very high98Very high0 Ų039.5 Ų39.50%019%0.193CC..EExtended strand (participates in β ladder)trans-122.9134.3-177.8-69.7-96.4000110.6A41 I51 A54 Y55 Q59 R60 I86 K87 W88 H89 F246A41-F62 HydrophobicContact CB-CD1 4.01Å; A41-F62 HydrophobicContact CB-CE1 4.15Å; A41-F62 CarbonylContact O-C 3.57Å; A41-F62 VanDerWaalsContact O-CA 3.3Å; A41-F62 WeakPolarHBondContact O-CA 3.38Å; I51-F62 HydrophobicContact CB-CE1 4.4Å; I51-F62 HydrophobicContact CG2-CD1 3.98Å; I51-F62 HydrophobicContact CG2-CE1 3.79Å; I51-F62 HydrophobicContact CG2-CG 4.43Å; I51-F62 HydrophobicContact CG2-CZ 4.06Å; A54-F62 HydrophobicContact CB-CE1 3.8Å; A54-F62 HydrophobicContact CB-CZ 3.92Å; Y55-F62 HydrophobicContact CD2-CE2 4.31Å; Q59-F62 HydrophobicContact CB-CE2 4.28Å; Q59-F62 HydrophobicContact CB-CZ 3.94Å; Q59-F62 HydrophobicContact CG-CE1 4.09Å; Q59-F62 HydrophobicContact CG-CE2 3.86Å; Q59-F62 HydrophobicContact CG-CZ 3.63Å; R60-F62 WeakPolarHBondContact O-CD2 3.31Å; F62-I86 HydrophobicContact CB-CD1 4.32Å; F62-I86 HydrophobicContact CB-CG1 4.49Å; F62-I86 HydrophobicContact CD2-CD1 3.57Å; F62-I86 HydrophobicContact CD2-CG1 3.57Å; F62-I86 HydrophobicContact CE2-CD1 4Å; F62-I86 HydrophobicContact CE2-CG1 4.14Å; F62-I86 HydrophobicContact CG-CD1 4Å; F62-I86 HydrophobicContact CG-CG1 4.32Å; F62-K87 PolarHBondContact N-O 3.28Å; F62-W88 HydrophobicContact CB-CE3 3.72Å; F62-W88 HydrophobicContact CB-CH2 4.46Å; F62-W88 HydrophobicContact CB-CZ3 3.56Å; F62-W88 HydrophobicContact CG-CZ3 4.45Å; F62-H89 WeakPolarHBondContact O-CB 3.24Å; F62-H89 PolarHBondContact O-N 3.4Å; F62-F246 HydrophobicContact CD1-CZ 4.49Å; F62-F246 HydrophobicContact CE1-CZ 4.24Å
63G98.6Very high98Very high0 Ų039.9 Ų39.90%019%0.194CC..EExtended strand (participates in β ladder)trans-104.6126.7-176.900000112.3A41 V42 S43 H89A41-G63 PolarHBondContact O-N 3.2Å; V42-G63 WeakPolarHBondContact CA-O 3.32Å; S43-G63 PolarHBondContact N-O 3.15Å; S43-G63 VanDerWaalsContact N-O 3.12Å; G63-H89 WeakPolarHBondContact CA-O 3.28Å
64E98.6Very high98Very high0 Ų039 Ų390%019%0.19CC..EExtended strand (participates in β ladder)trans-121.2144.5174.3-68.3-60.7156.700112S43 K44 L70 K73 W88 H89 I91S43-E64 VanDerWaalsContact C-OE1 3.29Å; S43-E64 WeakPolarHBondContact CB-OE1 3.11Å; S43-E64 PolarHBondContact OG-OE1 3.32Å; K44-E64 WeakPolarHBondContact CA-OE2 3.46Å; K44-E64 PolarHBondContact N-OE2 3.14Å; E64-L70 HydrophobicContact CB-CB 3.83Å; E64-L70 HydrophobicContact CB-CD1 4.09Å; E64-L70 HydrophobicContact CB-CD2 4.31Å; E64-L70 HydrophobicContact CB-CG 4.28Å; E64-L70 HydrophobicContact CG-CB 4.12Å; E64-L70 HydrophobicContact CG-CD1 3.79Å; E64-L70 HydrophobicContact CG-CG 4.44Å; E64-K73 VanDerWaalsContact CD-NZ 3.27Å; E64-K73 WeakPolarHBondContact OE1-CD 3.49Å; E64-K73 IonicContact OE1-NZ 3.56Å; E64-K73 PolarHBondContact OE1-NZ 2.83Å; E64-K73 IonicContact OE2-NZ 3.54Å; E64-K73 PolarHBondContact OE2-NZ 2.95Å; E64-W88 HydrophobicContact CG-CE3 3.98Å; E64-W88 HydrophobicContact CG-CZ3 3.71Å; E64-H89 PolarHBondContact N-O 2.94Å; E64-I91 WeakPolarHBondContact O-CG1 3.39Å; E64-I91 PolarHBondContact O-N 3.23Å
65N97.8Very high98Very high36 Ų3642.2 Ų42.219%0.19321%0.213CC..SBendtrans-99.9-24.9-177.9-7842.6000113.3K44 I91 G92K44-N65 HydrophobicContact CB-CB 4.36Å; K44-N65 HydrophobicContact CD-CB 3.84Å; K44-N65 WeakPolarHBondContact CD-OD1 3.35Å; K44-N65 PolarHBondContact NZ-ND2 3.06Å; N65-I91 WeakPolarHBondContact OD1-CD1 3.46Å; N65-I91 VanDerWaalsContact OD1-CG1 3.32Å; N65-I91 WeakPolarHBondContact OD1-CG1 3.36Å; N65-G92 WeakPolarHBondContact O-CA 3.4Å
66Y98Very high98Very high123 Ų12343.7 Ų43.748%0.48222%0.222SC..  trans-117.2124.4-170.5-55.8-77.2000109.6T45 N68 E69 L70T45-Y66 HydrophobicContact CG2-CE2 4.49Å; Y66-N68 VanDerWaalsContact C-N 3.31Å; Y66-N68 PolarHBondContact O-N 3.47Å; Y66-E69 VanDerWaalsContact CD2-OE2 3.32Å; Y66-E69 WeakPolarHBondContact CD2-OE2 3.38Å; Y66-E69 PolarHBondContact O-N 3.16Å; Y66-L70 PolarHBondContact O-N 3.05Å
67V98.3Very high98Very high8 Ų840.7 Ų40.75%0.04822%0.223CC..Hα-helixtrans-60.1-42.1-175174.40000111.6L70 V71 F90 L94 N98 K101 L102V67-L70 PolarHBondContact O-N 2.91Å; V67-V71 HydrophobicContact CG1-CG2 4.32Å; V67-V71 WeakPolarHBondContact O-CG2 3.35Å; V67-V71 PolarHBondContact O-N 3.43Å; V67-F90 HydrophobicContact CB-CE2 4.44Å; V67-F90 HydrophobicContact CG2-CD2 4.39Å; V67-F90 HydrophobicContact CG2-CE1 4.35Å; V67-F90 HydrophobicContact CG2-CE2 3.51Å; V67-F90 HydrophobicContact CG2-CZ 3.48Å; V67-F90 VanDerWaalsContact CG2-CZ 3.48Å; V67-L94 HydrophobicContact CG2-CD1 4.12Å; V67-N98 HydrophobicContact CB-CB 4.19Å; V67-N98 HydrophobicContact CG1-CB 4.15Å; V67-N98 HydrophobicContact CG2-CB 3.93Å; V67-K101 HydrophobicContact CG1-CB 4.04Å; V67-K101 HydrophobicContact CG1-CD 4.22Å; V67-K101 HydrophobicContact CG1-CG 3.96Å; V67-L102 HydrophobicContact CG1-CB 3.94Å; V67-L102 HydrophobicContact CG2-CB 4.22Å
68N97.8Very high98Very high84 Ų8440.3 Ų40.345%0.44922%0.223SC..Hα-helixtrans-64.3-47.7179-66.3-18.8000111.3Y66 L70 V71 D72 K101Y66-N68 VanDerWaalsContact C-N 3.31Å; Y66-N68 PolarHBondContact O-N 3.47Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-L70 PolarHBondContact O-N 3.07Å; N68-V71 PolarHBondContact O-N 2.77Å; N68-V71 VanDerWaalsContact O-N 3.13Å; N68-D72 PolarHBondContact O-N 3.33Å; N68-K101 WeakPolarHBondContact OD1-CD 3.2Å; N68-K101 VanDerWaalsContact OD1-CE 3.27Å; N68-K101 WeakPolarHBondContact OD1-CE 3.44Å; N68-K101 PolarHBondContact OD1-NZ 2.86Å
69E97.9Very high98.1Very high39 Ų3938.2 Ų38.218%0.18220%0.201CC..Hα-helixtrans-59.8-42.7178.3-172.4-178.2169.800112.1T45 Y66 V71 D72 K73T45-E69 WeakPolarHBondContact CA-OE1 3.5Å; T45-E69 PolarHBondContact N-OE1 3.34Å; T45-E69 PolarHBondContact N-OE2 2.88Å; Y66-E69 VanDerWaalsContact CD2-OE2 3.32Å; Y66-E69 WeakPolarHBondContact CD2-OE2 3.38Å; Y66-E69 PolarHBondContact O-N 3.16Å; E69-V71 VanDerWaalsContact C-N 3.34Å; E69-V71 PolarHBondContact O-N 2.79Å; E69-D72 PolarHBondContact O-N 3.07Å; E69-K73 HydrophobicContact CG-CD 4.11Å; E69-K73 WeakPolarHBondContact O-CB 3.42Å; E69-K73 WeakPolarHBondContact O-CG 3.5Å; E69-K73 PolarHBondContact O-N 3.25Å; E69-K73 VanDerWaalsContact OE1-CE 3.31Å; E69-K73 WeakPolarHBondContact OE1-CE 3.2Å; E69-K73 IonicContact OE1-NZ 3.45Å; E69-K73 PolarHBondContact OE1-NZ 3.49Å
70L98.5Very high98.1Very high0 Ų042.5 Ų42.50%022%0.223CC..Hα-helixtrans-63.2-41.3176.4175.456.6000111.8E64 Y66 V67 N68 A74 W88 F90 L102 V105 L108E64-L70 HydrophobicContact CB-CB 3.83Å; E64-L70 HydrophobicContact CB-CD1 4.09Å; E64-L70 HydrophobicContact CB-CD2 4.31Å; E64-L70 HydrophobicContact CB-CG 4.28Å; E64-L70 HydrophobicContact CG-CB 4.12Å; E64-L70 HydrophobicContact CG-CD1 3.79Å; E64-L70 HydrophobicContact CG-CG 4.44Å; Y66-L70 PolarHBondContact O-N 3.05Å; V67-L70 PolarHBondContact O-N 2.91Å; N68-L70 VanDerWaalsContact C-N 3.32Å; N68-L70 PolarHBondContact O-N 3.07Å; L70-A74 WeakPolarHBondContact O-CB 3.04Å; L70-A74 PolarHBondContact O-N 3.21Å; L70-W88 HydrophobicContact CD1-CB 3.91Å; L70-W88 HydrophobicContact CD1-CD2 3.35Å; L70-W88 HydrophobicContact CD1-CE3 3.46Å; L70-W88 VanDerWaalsContact CD1-CE3 3.46Å; L70-W88 HydrophobicContact CD1-CG 3.58Å; L70-W88 HydrophobicContact CD1-CZ2 4.43Å; L70-W88 HydrophobicContact CD1-CZ3 4.07Å; L70-F90 HydrophobicContact CD2-CB 4.49Å; L70-F90 HydrophobicContact CD2-CD2 4.04Å; L70-L102 HydrophobicContact CD2-CD1 3.53Å; L70-V105 HydrophobicContact CD1-CG1 4.22Å; L70-V105 HydrophobicContact CD2-CG1 4.4Å; L70-V105 HydrophobicContact CD2-CG2 4.4Å; L70-V105 HydrophobicContact CG-CG1 4.09Å; L70-V105 HydrophobicContact CG-CG2 4.1Å; L70-L108 HydrophobicContact CD2-CD1 4.49Å
71V98.1Very high98Very high27 Ų2747.1 Ų47.116%0.16425%0.248CC..Hα-helixtrans-64.6-44.5177.5170.40000110.9V67 N68 E69 A74 S75 K101 V105V67-V71 HydrophobicContact CG1-CG2 4.32Å; V67-V71 WeakPolarHBondContact O-CG2 3.35Å; V67-V71 PolarHBondContact O-N 3.43Å; N68-V71 PolarHBondContact O-N 2.77Å; N68-V71 VanDerWaalsContact O-N 3.13Å; E69-V71 VanDerWaalsContact C-N 3.34Å; E69-V71 PolarHBondContact O-N 2.79Å; V71-A74 PolarHBondContact O-N 3.26Å; V71-S75 WeakPolarHBondContact O-CB 3.12Å; V71-S75 PolarHBondContact O-N 2.76Å; V71-S75 PolarHBondContact O-OG 2.96Å; V71-K101 HydrophobicContact CG2-CD 4.34Å; V71-K101 HydrophobicContact CG2-CG 3.77Å; V71-V105 HydrophobicContact CB-CG2 4.45Å; V71-V105 HydrophobicContact CG2-CG2 3.58Å
72D97.9Very high98Very high105 Ų10547.8 Ų47.856%0.56126%0.255SS*.Hα-helixtrans-63.3-47.4179.7-61.7-18000109.9N68 E69 S75 D76N68-D72 PolarHBondContact O-N 3.33Å; E69-D72 PolarHBondContact O-N 3.07Å; D72-S75 PolarHBondContact O-N 2.87Å; D72-D76 PolarHBondContact O-N 2.85Å
73K98Very high98Very high11 Ų1147.9 Ų47.95%0.04826%0.255CS..Hα-helixtrans-63.1-44.4176.1-77.5172.1170.51720113.5S43 K46 I51 E64 E69 S75 D76 I79 W88S43-K73 PolarHBondContact O-NZ 3.46Å; K46-K73 WeakPolarHBondContact O-CE 3.21Å; K46-K73 PolarHBondContact O-NZ 3.3Å; K46-K73 VanDerWaalsContact O-NZ 3.17Å; I51-K73 HydrophobicContact CD1-CD 3.79Å; I51-K73 HydrophobicContact CD1-CG 4.37Å; E64-K73 VanDerWaalsContact CD-NZ 3.27Å; E64-K73 WeakPolarHBondContact OE1-CD 3.49Å; E64-K73 IonicContact OE1-NZ 3.56Å; E64-K73 PolarHBondContact OE1-NZ 2.83Å; E64-K73 IonicContact OE2-NZ 3.54Å; E64-K73 PolarHBondContact OE2-NZ 2.95Å; E69-K73 HydrophobicContact CG-CD 4.11Å; E69-K73 WeakPolarHBondContact O-CB 3.42Å; E69-K73 WeakPolarHBondContact O-CG 3.5Å; E69-K73 PolarHBondContact O-N 3.25Å; E69-K73 VanDerWaalsContact OE1-CE 3.31Å; E69-K73 WeakPolarHBondContact OE1-CE 3.2Å; E69-K73 IonicContact OE1-NZ 3.45Å; E69-K73 PolarHBondContact OE1-NZ 3.49Å; K73-S75 PolarHBondContact O-N 2.82Å; K73-D76 VanDerWaalsContact O-CB 3.3Å; K73-D76 WeakPolarHBondContact O-CB 3.41Å; K73-D76 PolarHBondContact O-N 3.43Å; K73-I79 WeakPolarHBondContact O-CB 3.36Å; K73-I79 WeakPolarHBondContact O-CG1 3.14Å; K73-W88 HydrophobicContact CB-CH2 4.18Å; K73-W88 HydrophobicContact CB-CZ2 4.29Å; K73-W88 HydrophobicContact CD-CH2 4.44Å
74A97.6Very high97.9Very high1 Ų151.8 Ų51.81%0.00828%0.28CS..Hα-helixtrans-72-16.4-177.900000112.9L70 V71 L80 V105 P106L70-A74 WeakPolarHBondContact O-CB 3.04Å; L70-A74 PolarHBondContact O-N 3.21Å; V71-A74 PolarHBondContact O-N 3.26Å; A74-L80 WeakPolarHBondContact O-CD2 3.27Å; A74-V105 HydrophobicContact CB-CG1 3.61Å; A74-P106 HydrophobicContact CB-CG 4.1Å; A74-P106 WeakPolarHBondContact O-CG 3.14Å
75S97.1Very high97.9Very high69 Ų6957.4 Ų57.448%0.48331%0.306SS..THydrogen-bonded Turntrans-100.6-3.2174.1-47.30000112.6V71 D72 K73V71-S75 WeakPolarHBondContact O-CB 3.12Å; V71-S75 PolarHBondContact O-N 2.76Å; V71-S75 PolarHBondContact O-OG 2.96Å; D72-S75 PolarHBondContact O-N 2.87Å; K73-S75 PolarHBondContact O-N 2.82Å
76D97.9Very high97.9Very high49 Ų4955.9 Ų55.926%0.26230%0.299SS..  trans-66.9126.5179.8-171.9-64.3000109.7P48 D72 K73 L78 I79 L80P48-D76 WeakPolarHBondContact CG-OD2 3.3Å; D72-D76 PolarHBondContact O-N 2.85Å; K73-D76 VanDerWaalsContact O-CB 3.3Å; K73-D76 WeakPolarHBondContact O-CB 3.41Å; K73-D76 PolarHBondContact O-N 3.43Å; D76-L78 PolarHBondContact O-N 3.03Å; D76-L78 WeakPolarHBondContact OD1-CA 3.37Å; D76-L78 WeakPolarHBondContact OD1-CB 3.38Å; D76-L78 PolarHBondContact OD1-N 2.89Å; D76-I79 HydrophobicContact CB-CB 4.26Å; D76-I79 HydrophobicContact CB-CG1 4.04Å; D76-I79 PolarHBondContact O-N 3.32Å; D76-L80 WeakPolarHBondContact O-CG 3.05Å; D76-L80 PolarHBondContact O-N 2.95Å
77P97.6Very high97.9Very high97 Ų9754.1 Ų54.163%0.6329%0.293SS*.Hα-helixtrans-54.8-37.2-179.1-27.435.3000113.7I79 L80 E81P77-I79 VanDerWaalsContact C-N 3.35Å; P77-I79 PolarHBondContact O-N 2.85Å; P77-L80 PolarHBondContact O-N 2.9Å; P77-E81 WeakPolarHBondContact O-CB 3.44Å; P77-E81 PolarHBondContact O-N 2.9Å
78L97.8Very high98Very high55 Ų5553.8 Ų53.829%0.28829%0.291SS..Hα-helixtrans-64.8-41.3179.4178.164.5000111P48 D49 V52 D76 S82P48-L78 HydrophobicContact CB-CD2 4.1Å; D49-L78 WeakPolarHBondContact OD1-CD2 3.31Å; V52-L78 HydrophobicContact CG2-CD1 4.33Å; V52-L78 HydrophobicContact CG2-CD2 4.08Å; V52-L78 HydrophobicContact CG2-CG 3.83Å; D76-L78 PolarHBondContact O-N 3.03Å; D76-L78 WeakPolarHBondContact OD1-CA 3.37Å; D76-L78 WeakPolarHBondContact OD1-CB 3.38Å; D76-L78 PolarHBondContact OD1-N 2.89Å; L78-S82 WeakPolarHBondContact O-CB 3.36Å; L78-S82 PolarHBondContact O-N 3.03Å; L78-S82 PolarHBondContact O-OG 3.15Å; L78-S82 VanDerWaalsContact O-OG 3.05Å
79I98.2Very high98Very high2 Ų249.8 Ų49.81%0.0127%0.27CS..Hα-helixtrans-68.5-45.2177-64.9-61.9000110.8P48 I51 V52 K73 D76 P77 E81 C83 W88P48-I79 HydrophobicContact CB-CD1 4.02Å; P48-I79 HydrophobicContact CB-CG1 4.04Å; I51-I79 HydrophobicContact CB-CD1 3.89Å; I51-I79 HydrophobicContact CD1-CD1 4.4Å; I51-I79 HydrophobicContact CG2-CD1 3.71Å; V52-I79 HydrophobicContact CG2-CD1 4.13Å; K73-I79 WeakPolarHBondContact O-CB 3.36Å; K73-I79 WeakPolarHBondContact O-CG1 3.14Å; D76-I79 HydrophobicContact CB-CB 4.26Å; D76-I79 HydrophobicContact CB-CG1 4.04Å; D76-I79 PolarHBondContact O-N 3.32Å; P77-I79 VanDerWaalsContact C-N 3.35Å; P77-I79 PolarHBondContact O-N 2.85Å; I79-E81 VanDerWaalsContact C-N 3.29Å; I79-E81 PolarHBondContact O-N 2.87Å; I79-C83 HydrophobicContact CG2-CB 4.32Å; I79-C83 WeakPolarHBondContact O-CA 3.37Å; I79-C83 VanDerWaalsContact O-CB 3.3Å; I79-C83 WeakPolarHBondContact O-CB 3.23Å; I79-C83 PolarHBondContact O-N 2.84Å; I79-W88 HydrophobicContact CG2-CZ2 4.1Å
80L97.5Very high98.1Very high96 Ų9647.9 Ų47.950%0.50326%0.261SS..Hα-helixtrans-60.3-40.3-179.9-71.8171.7000112A74 D76 P77A74-L80 WeakPolarHBondContact O-CD2 3.27Å; D76-L80 WeakPolarHBondContact O-CG 3.05Å; D76-L80 PolarHBondContact O-N 2.95Å; P77-L80 PolarHBondContact O-N 2.9Å
81E97.7Very high98.1Very high163 Ų16348.6 Ų48.676%0.76227%0.265SS*.Hα-helixtrans-77.7-46.6179.3-173.7179177.800112.4P77 I79P77-E81 WeakPolarHBondContact O-CB 3.44Å; P77-E81 PolarHBondContact O-N 2.9Å; I79-E81 VanDerWaalsContact C-N 3.29Å; I79-E81 PolarHBondContact O-N 2.87Å
82S98.1Very high98Very high39 Ų3947.7 Ų47.727%0.27326%0.26SS..Hα-helixtrans-87.4-22-170.1-57.80000114.1Y55 L78 P84Y55-S82 WeakPolarHBondContact CD1-O 3.49Å; Y55-S82 VanDerWaalsContact CE1-O 3.31Å; Y55-S82 WeakPolarHBondContact CE1-O 3.27Å; L78-S82 WeakPolarHBondContact O-CB 3.36Å; L78-S82 PolarHBondContact O-N 3.03Å; L78-S82 PolarHBondContact O-OG 3.15Å; L78-S82 VanDerWaalsContact O-OG 3.05Å; S82-P84 VanDerWaalsContact C-CD 3.41Å
83C98.3Very high97.9Very high1 Ų145.9 Ų45.91%0.00725%0.249CC..  trans-127.952.4-170.2-55.30000113.1Y55 I79 E85 I86Y55-C83 HydrophobicContact CD1-CB 4.36Å; Y55-C83 HydrophobicContact CD2-CB 3.69Å; Y55-C83 HydrophobicContact CE2-CB 3.82Å; Y55-C83 HydrophobicContact CG-CB 3.97Å; Y55-C83 VanDerWaalsContact CG-SG 3.57Å; I79-C83 HydrophobicContact CG2-CB 4.32Å; I79-C83 WeakPolarHBondContact O-CA 3.37Å; I79-C83 VanDerWaalsContact O-CB 3.3Å; I79-C83 WeakPolarHBondContact O-CB 3.23Å; I79-C83 PolarHBondContact O-N 2.84Å; C83-E85 PolarHBondContact O-N 2.95Å; C83-E85 VanDerWaalsContact O-N 3.13Å; C83-I86 HydrophobicContact CB-CB 4.09Å; C83-I86 HydrophobicContact CB-CD1 4.32Å; C83-I86 WeakPolarHBondContact O-CB 3.48Å; C83-I86 VanDerWaalsContact O-CG2 3.24Å; C83-I86 WeakPolarHBondContact O-CG2 2.99Å; C83-I86 PolarHBondContact O-N 3.38Å
84P97.1Very high97.9Very high82 Ų8245.6 Ų45.653%0.53225%0.247SC..THydrogen-bonded Turntrans-62.3-26.7-17125.5-35.9000114.2S82 N107S82-P84 VanDerWaalsContact C-CD 3.41Å; P84-N107 PolarHBondContact O-ND2 3.47Å
85E98Very high97.7Very high118 Ų11850.7 Ų50.755%0.55127%0.271SS*.THydrogen-bonded Turntrans-100.213.8-179.6-50.1177.7100.100113.4Y55 R60 C83 K87Y55-E85 WeakPolarHBondContact OH-CB 3.44Å; Y55-E85 PolarHBondContact OH-N 3.32Å; Y55-E85 VanDerWaalsContact OH-N 3.14Å; Y55-E85 PolarHBondContact OH-OE2 3.14Å; R60-E85 IonicContact CZ-OE2 3.26Å; R60-E85 IonicContact NE-OE2 2.66Å; R60-E85 PolarHBondContact NE-OE2 3.27Å; R60-E85 VanDerWaalsContact NE-OE2 3.16Å; R60-E85 IonicContact NH2-OE2 3Å; R60-E85 PolarHBondContact NH2-OE2 3.34Å; C83-E85 PolarHBondContact O-N 2.95Å; C83-E85 VanDerWaalsContact O-N 3.13Å; E85-K87 PolarHBondContact O-N 3Å
86I98.6Very high97.5Very high5 Ų552.6 Ų52.63%0.02627%0.271CS..  trans-56.6138.2179.2-167.2155.4000110.3I51 Y55 F62 C83 W88 N107I51-I86 HydrophobicContact CG2-CD1 3.79Å; Y55-I86 HydrophobicContact CE2-CB 4.45Å; F62-I86 HydrophobicContact CB-CD1 4.32Å; F62-I86 HydrophobicContact CB-CG1 4.49Å; F62-I86 HydrophobicContact CD2-CD1 3.57Å; F62-I86 HydrophobicContact CD2-CG1 3.57Å; F62-I86 HydrophobicContact CE2-CD1 4Å; F62-I86 HydrophobicContact CE2-CG1 4.14Å; F62-I86 HydrophobicContact CG-CD1 4Å; F62-I86 HydrophobicContact CG-CG1 4.32Å; C83-I86 HydrophobicContact CB-CB 4.09Å; C83-I86 HydrophobicContact CB-CD1 4.32Å; C83-I86 WeakPolarHBondContact O-CB 3.48Å; C83-I86 VanDerWaalsContact O-CG2 3.24Å; C83-I86 WeakPolarHBondContact O-CG2 2.99Å; C83-I86 PolarHBondContact O-N 3.38Å; I86-W88 HydrophobicContact CD1-CD2 4.24Å; I86-W88 HydrophobicContact CD1-CE3 4.39Å; I86-W88 HydrophobicContact CD1-CH2 3.6Å; I86-W88 HydrophobicContact CD1-CZ2 3.39Å; I86-W88 HydrophobicContact CD1-CZ3 4.1Å; I86-W88 HydrophobicContact CG1-CD2 4.21Å; I86-W88 HydrophobicContact CG1-CZ2 4.17Å; I86-N107 HydrophobicContact CG2-CB 4.33Å; I86-N107 WeakPolarHBondContact O-CB 2.99Å
87K98.8Very high97.3Very high85 Ų8557.6 Ų57.637%0.3730%0.297SS..EExtended strand (participates in β ladder)trans-114.5106177.3-69.1175.7-176.8172.50107.9R60 N61 F62 E85 H89 F109R60-K87 PolarHBondContact O-N 3.27Å; N61-K87 WeakPolarHBondContact CA-O 3.13Å; N61-K87 WeakPolarHBondContact OD1-CD 3.17Å; F62-K87 PolarHBondContact N-O 3.28Å; E85-K87 PolarHBondContact O-N 3Å; K87-H89 PolarHBondContact O-CD2 2.84Å; K87-F109 HydrophobicContact CB-CB 3.75Å; K87-F109 HydrophobicContact CB-CD1 4.22Å; K87-F109 HydrophobicContact CB-CD2 4.34Å; K87-F109 HydrophobicContact CB-CG 3.86Å; K87-F109 HydrophobicContact CD-CD1 4.44Å; K87-F109 HydrophobicContact CD-CD2 3.95Å; K87-F109 HydrophobicContact CD-CE1 4.46Å; K87-F109 HydrophobicContact CD-CE2 3.98Å; K87-F109 HydrophobicContact CD-CG 4.18Å; K87-F109 HydrophobicContact CD-CZ 4.23Å; K87-F109 HydrophobicContact CG-CB 4.24Å; K87-F109 HydrophobicContact CG-CD2 4.02Å; K87-F109 HydrophobicContact CG-CG 4.06Å
88W98.8Very high97.3Very high1 Ų155.1 Ų55.10%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-81.8125.2-180-67.4116.7000111.3I51 F62 E64 L70 K73 I79 I86 V105 N107 F109 L110I51-W88 HydrophobicContact CD1-CH2 4.16Å; I51-W88 HydrophobicContact CG2-CH2 4.46Å; F62-W88 HydrophobicContact CB-CE3 3.72Å; F62-W88 HydrophobicContact CB-CH2 4.46Å; F62-W88 HydrophobicContact CB-CZ3 3.56Å; F62-W88 HydrophobicContact CG-CZ3 4.45Å; E64-W88 HydrophobicContact CG-CE3 3.98Å; E64-W88 HydrophobicContact CG-CZ3 3.71Å; L70-W88 HydrophobicContact CD1-CB 3.91Å; L70-W88 HydrophobicContact CD1-CD2 3.35Å; L70-W88 HydrophobicContact CD1-CE3 3.46Å; L70-W88 VanDerWaalsContact CD1-CE3 3.46Å; L70-W88 HydrophobicContact CD1-CG 3.58Å; L70-W88 HydrophobicContact CD1-CZ2 4.43Å; L70-W88 HydrophobicContact CD1-CZ3 4.07Å; K73-W88 HydrophobicContact CB-CH2 4.18Å; K73-W88 HydrophobicContact CB-CZ2 4.29Å; K73-W88 HydrophobicContact CD-CH2 4.44Å; I79-W88 HydrophobicContact CG2-CZ2 4.1Å; I86-W88 HydrophobicContact CD1-CD2 4.24Å; I86-W88 HydrophobicContact CD1-CE3 4.39Å; I86-W88 HydrophobicContact CD1-CH2 3.6Å; I86-W88 HydrophobicContact CD1-CZ2 3.39Å; I86-W88 HydrophobicContact CD1-CZ3 4.1Å; I86-W88 HydrophobicContact CG1-CD2 4.21Å; I86-W88 HydrophobicContact CG1-CZ2 4.17Å; W88-V105 HydrophobicContact CG-CG1 4.47Å; W88-N107 PolarHBondContact N-O 2.87Å; W88-F109 WeakPolarHBondContact O-CB 3.18Å; W88-F109 PolarHBondContact O-N 2.99Å; W88-L110 PolarHBondContact O-N 3.49Å
89H98.9Very high97.3Very high0 Ų052.5 Ų52.50%027%0.265CS..EExtended strand (participates in β ladder)trans-103.8121.6169.9-71.4-129.1000108.1V40 N61 F62 G63 E64 K87 I91 F109 L110 E112V40-H89 HydrophobicContact CG1-CB 4.01Å; N61-H89 PolarHBondContact OD1-NE2 3Å; F62-H89 WeakPolarHBondContact O-CB 3.24Å; F62-H89 PolarHBondContact O-N 3.4Å; G63-H89 WeakPolarHBondContact CA-O 3.28Å; E64-H89 PolarHBondContact N-O 2.94Å; K87-H89 PolarHBondContact O-CD2 2.84Å; H89-I91 HydrophobicContact CB-CG2 4.09Å; H89-F109 AromaticContact NE2-CD1 3.42Å; H89-F109 WeakPolarHBondContact NE2-CD1 3.36Å; H89-F109 AromaticContact NE2-CE1 3.91Å; H89-L110 CarbonylContact C-O 3.56Å; H89-L110 VanDerWaalsContact CA-O 3.31Å; H89-L110 WeakPolarHBondContact CA-O 3.39Å; H89-E112 IonicContact CE1-OE1 3.03Å; H89-E112 IonicContact CG-OE1 3.62Å; H89-E112 IonicContact ND1-OE1 2.79Å; H89-E112 PolarHBondContact ND1-OE1 3.47Å
90F98.8Very high97.2Very high0 Ų055.3 Ų55.30%028%0.28CS..EExtended strand (participates in β ladder)trans-89.3115.9168.5-171.3-102.8000109.5V67 L70 G92 L94 L102 L108 L110 V111 E112V67-F90 HydrophobicContact CB-CE2 4.44Å; V67-F90 HydrophobicContact CG2-CD2 4.39Å; V67-F90 HydrophobicContact CG2-CE1 4.35Å; V67-F90 HydrophobicContact CG2-CE2 3.51Å; V67-F90 HydrophobicContact CG2-CZ 3.48Å; V67-F90 VanDerWaalsContact CG2-CZ 3.48Å; L70-F90 HydrophobicContact CD2-CB 4.49Å; L70-F90 HydrophobicContact CD2-CD2 4.04Å; F90-G92 WeakPolarHBondContact CE1-O 3.46Å; F90-L94 HydrophobicContact CD1-CB 4.37Å; F90-L94 HydrophobicContact CE1-CB 3.76Å; F90-L94 HydrophobicContact CE1-CD1 4.06Å; F90-L94 HydrophobicContact CE1-CG 4.4Å; F90-L102 HydrophobicContact CB-CD1 3.92Å; F90-L102 HydrophobicContact CB-CD2 3.92Å; F90-L102 HydrophobicContact CD1-CD2 3.6Å; F90-L102 HydrophobicContact CD2-CD1 3.73Å; F90-L102 HydrophobicContact CD2-CD2 4.17Å; F90-L102 HydrophobicContact CE1-CD2 4.15Å; F90-L102 HydrophobicContact CE2-CD1 4.45Å; F90-L102 HydrophobicContact CG-CD1 3.81Å; F90-L102 HydrophobicContact CG-CD2 3.59Å; F90-L102 HydrophobicContact CG-CG 4.38Å; F90-L108 HydrophobicContact CB-CD1 4.47Å; F90-L110 PolarHBondContact N-O 2.98Å; F90-V111 HydrophobicContact CB-CG2 4.38Å; F90-V111 HydrophobicContact CD1-CG1 4.37Å; F90-E112 PolarHBondContact O-N 3.2Å
91I98.5Very high97.2Very high15 Ų1554.9 Ų54.98%0.07727%0.274CS..  trans-124.812.9-17260.3163.8000112.5V42 E64 N65 H89 E112V42-I91 HydrophobicContact CB-CD1 4.42Å; V42-I91 HydrophobicContact CG1-CD1 3.96Å; V42-I91 HydrophobicContact CG2-CD1 3.67Å; E64-I91 WeakPolarHBondContact O-CG1 3.39Å; E64-I91 PolarHBondContact O-N 3.23Å; N65-I91 WeakPolarHBondContact OD1-CD1 3.46Å; N65-I91 VanDerWaalsContact OD1-CG1 3.32Å; N65-I91 WeakPolarHBondContact OD1-CG1 3.36Å; H89-I91 HydrophobicContact CB-CG2 4.09Å; I91-E112 HydrophobicContact CG2-CB 4.14Å; I91-E112 HydrophobicContact CG2-CG 4.03Å
92G97.4Very high97.2Very high7 Ų747.1 Ų47.17%0.07224%0.238CC..SBendtrans-102.3174.7174.300000113N65 F90 L94 T113N65-G92 WeakPolarHBondContact O-CA 3.4Å; F90-G92 WeakPolarHBondContact CE1-O 3.46Å; G92-L94 PolarHBondContact O-N 2.98Å; G92-T113 WeakPolarHBondContact O-CB 3.4Å; G92-T113 WeakPolarHBondContact O-CG2 3.45Å; G92-T113 PolarHBondContact O-OG1 3.39Å
93H95.9Very high97.2Very high68 Ų6845.3 Ų45.332%0.31523%0.225SC..  trans-68.2122.6178179.759.1000111.3Q95 D115 H153H93-Q95 PolarHBondContact O-N 2.92Å; H93-D115 IonicContact CE1-OD2 3.41Å; H93-D115 PolarHBondContact CE1-OD2 2.73Å; H93-D115 IonicContact ND1-OD2 3.16Å; H93-H153 AromaticContact CD2-CE1 3.55Å; H93-H153 AromaticContact CD2-ND1 3.93Å; H93-H153 AromaticContact CD2-NE2 3.87Å; H93-H153 AromaticContact CE1-CE1 3.92Å; H93-H153 AromaticContact CE1-ND1 3.59Å; H93-H153 AromaticContact CG-CD2 3.75Å; H93-H153 AromaticContact CG-CE1 3.52Å; H93-H153 AromaticContact CG-CG 3.73Å; H93-H153 AromaticContact CG-ND1 3.6Å; H93-H153 AromaticContact CG-NE2 3.61Å; H93-H153 AromaticContact ND1-CE1 3.77Å; H93-H153 AromaticContact ND1-CG 3.56Å; H93-H153 AromaticContact ND1-ND1 3.37Å; H93-H153 PolarHBondContact ND1-ND1 3.5Å; H93-H153 AromaticContact NE2-CE1 3.82Å; H93-H153 AromaticContact NE2-ND1 3.94Å
94L96.9Very high97.1Very high4 Ų447.7 Ų47.72%0.02125%0.25CC..  trans-92.7100-178.4-174.453.1000111.5V67 F90 G92 N98 V99 L102 V111 L119 V123V67-L94 HydrophobicContact CG2-CD1 4.12Å; F90-L94 HydrophobicContact CD1-CB 4.37Å; F90-L94 HydrophobicContact CE1-CB 3.76Å; F90-L94 HydrophobicContact CE1-CD1 4.06Å; F90-L94 HydrophobicContact CE1-CG 4.4Å; G92-L94 PolarHBondContact O-N 2.98Å; L94-N98 HydrophobicContact CD1-CB 4.45Å; L94-V99 HydrophobicContact CD1-CG2 4.28Å; L94-V99 HydrophobicContact CD2-CG2 4.06Å; L94-V99 HydrophobicContact CG-CG2 4.01Å; L94-L102 HydrophobicContact CD1-CB 4.33Å; L94-L102 HydrophobicContact CD1-CD2 3.65Å; L94-L102 HydrophobicContact CD2-CD2 3.8Å; L94-L102 HydrophobicContact CG-CD2 4.34Å; L94-V111 HydrophobicContact CD2-CG1 4.13Å; L94-L119 HydrophobicContact CB-CD2 4.2Å; L94-L119 HydrophobicContact CD2-CD1 4.2Å; L94-L119 HydrophobicContact CG-CD1 4.17Å; L94-V123 HydrophobicContact CD2-CG2 4.01Å
95Q93.9Very high97Very high108 Ų10843.9 Ų43.951%0.50523%0.225SC..  trans-70.6140.2171.3-64175.9-25.400111H93 N97 N98 V99H93-Q95 PolarHBondContact O-N 2.92Å; Q95-N97 PolarHBondContact O-N 3.45Å; Q95-N97 VanDerWaalsContact O-N 3.1Å; Q95-N98 PolarHBondContact O-N 2.9Å; Q95-N98 PolarHBondContact OE1-ND2 3.18Å; Q95-V99 PolarHBondContact O-N 2.94Å
96K92.5Very high96.9Very high110 Ų11040.9 Ų40.948%0.47822%0.216SC..G310 helixtrans-52-37.6-178.7-69.3-179.6-179.5174.50113.9N98 V99K96-N98 VanDerWaalsContact C-N 3.27Å; K96-N98 PolarHBondContact O-N 3.37Å; K96-V99 WeakPolarHBondContact O-CG2 3.32Å; K96-V99 PolarHBondContact O-N 3.45Å
97N94.7Very high96.8Very high153 Ų15344.7 Ų44.782%0.81824%0.236SC*.G310 helixtrans-70.9-24.8-178.9-65.9-8.1000112.5Q95Q95-N97 PolarHBondContact O-N 3.45Å; Q95-N97 VanDerWaalsContact O-N 3.1Å
98N96.9Very high96.7Very high45 Ų4541.2 Ų41.224%0.24122%0.222CC..G310 helixtrans-91.2-5.3-178.9-66.7-25.8000113.1V67 L94 Q95 K96 N100 K101 L102V67-N98 HydrophobicContact CB-CB 4.19Å; V67-N98 HydrophobicContact CG1-CB 4.15Å; V67-N98 HydrophobicContact CG2-CB 3.93Å; L94-N98 HydrophobicContact CD1-CB 4.45Å; Q95-N98 PolarHBondContact O-N 2.9Å; Q95-N98 PolarHBondContact OE1-ND2 3.18Å; K96-N98 VanDerWaalsContact C-N 3.27Å; K96-N98 PolarHBondContact O-N 3.37Å; N98-N100 PolarHBondContact O-N 3.27Å; N98-K101 PolarHBondContact O-N 3.45Å; N98-L102 PolarHBondContact O-N 3.29Å
99V97.8Very high96.7Very high0 Ų043.3 Ų43.30%023%0.231CC..Hα-helixtrans-54.9-52.9-178.9171.70000111.4L94 Q95 K96 K101 L102 L103 L119 K122 V123L94-V99 HydrophobicContact CD1-CG2 4.28Å; L94-V99 HydrophobicContact CD2-CG2 4.06Å; L94-V99 HydrophobicContact CG-CG2 4.01Å; Q95-V99 PolarHBondContact O-N 2.94Å; K96-V99 WeakPolarHBondContact O-CG2 3.32Å; K96-V99 PolarHBondContact O-N 3.45Å; V99-K101 VanDerWaalsContact C-N 3.26Å; V99-K101 PolarHBondContact O-N 3.21Å; V99-L102 PolarHBondContact O-N 2.95Å; V99-L103 HydrophobicContact CG1-CD1 3.74Å; V99-L103 HydrophobicContact CG1-CG 4.13Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 VanDerWaalsContact O-CG 3.25Å; V99-L103 WeakPolarHBondContact O-CG 3.46Å; V99-L103 PolarHBondContact O-N 3.34Å; V99-L119 HydrophobicContact CG2-CD1 3.92Å; V99-K122 HydrophobicContact CB-CG 4.27Å; V99-K122 HydrophobicContact CG1-CG 4.23Å; V99-K122 HydrophobicContact CG2-CG 4.05Å; V99-V123 HydrophobicContact CG1-CG2 4Å; V99-V123 HydrophobicContact CG2-CG2 4.23Å
100N96.6Very high96.7Very high61 Ų6143.3 Ų43.333%0.32623%0.231SC..Hα-helixtrans-62.6-36.1-177.9-68.5-33.4000112.3N98 G104 S126 R129N98-N100 PolarHBondContact O-N 3.27Å; N100-G104 PolarHBondContact O-N 3.41Å; N100-S126 VanDerWaalsContact OD1-CB 3.29Å; N100-S126 WeakPolarHBondContact OD1-CB 3Å; N100-S126 PolarHBondContact OD1-OG 2.77Å; N100-R129 VanDerWaalsContact CG-NH2 3.34Å; N100-R129 PolarHBondContact ND2-NH2 2.94Å; N100-R129 PolarHBondContact OD1-NH2 2.68Å
101K97.2Very high96.7Very high87 Ų8743.3 Ų43.338%0.37823%0.231SC..Hα-helixtrans-66.9-46178.6-173.9173.8-179.6171.80110.7V67 N68 V71 N98 V99 G104V67-K101 HydrophobicContact CG1-CB 4.04Å; V67-K101 HydrophobicContact CG1-CD 4.22Å; V67-K101 HydrophobicContact CG1-CG 3.96Å; N68-K101 WeakPolarHBondContact OD1-CD 3.2Å; N68-K101 VanDerWaalsContact OD1-CE 3.27Å; N68-K101 WeakPolarHBondContact OD1-CE 3.44Å; N68-K101 PolarHBondContact OD1-NZ 2.86Å; V71-K101 HydrophobicContact CG2-CD 4.34Å; V71-K101 HydrophobicContact CG2-CG 3.77Å; N98-K101 PolarHBondContact O-N 3.45Å; V99-K101 VanDerWaalsContact C-N 3.26Å; V99-K101 PolarHBondContact O-N 3.21Å; K101-G104 PolarHBondContact O-N 3.4Å
102L98.2Very high96.7Very high0 Ų042.6 Ų42.60%023%0.227CC..Hα-helixtrans-60.7-46.9175.617662.3000111.8V67 L70 F90 L94 N98 V99 G104 V105 L108 V111V67-L102 HydrophobicContact CG1-CB 3.94Å; V67-L102 HydrophobicContact CG2-CB 4.22Å; L70-L102 HydrophobicContact CD2-CD1 3.53Å; F90-L102 HydrophobicContact CB-CD1 3.92Å; F90-L102 HydrophobicContact CB-CD2 3.92Å; F90-L102 HydrophobicContact CD1-CD2 3.6Å; F90-L102 HydrophobicContact CD2-CD1 3.73Å; F90-L102 HydrophobicContact CD2-CD2 4.17Å; F90-L102 HydrophobicContact CE1-CD2 4.15Å; F90-L102 HydrophobicContact CE2-CD1 4.45Å; F90-L102 HydrophobicContact CG-CD1 3.81Å; F90-L102 HydrophobicContact CG-CD2 3.59Å; F90-L102 HydrophobicContact CG-CG 4.38Å; L94-L102 HydrophobicContact CD1-CB 4.33Å; L94-L102 HydrophobicContact CD1-CD2 3.65Å; L94-L102 HydrophobicContact CD2-CD2 3.8Å; L94-L102 HydrophobicContact CG-CD2 4.34Å; N98-L102 PolarHBondContact O-N 3.29Å; V99-L102 PolarHBondContact O-N 2.95Å; L102-G104 PolarHBondContact O-N 3.48Å; L102-V105 WeakPolarHBondContact O-CB 3.45Å; L102-V105 WeakPolarHBondContact O-CG2 3.26Å; L102-V105 PolarHBondContact O-N 2.77Å; L102-L108 HydrophobicContact CD1-CD1 4.04Å; L102-L108 HydrophobicContact CD1-CD2 4.42Å; L102-L108 HydrophobicContact CG-CD2 4.13Å; L102-V111 HydrophobicContact CD2-CG2 4.08Å
103L97.2Very high96.8Very high1 Ų142.2 Ų42.21%0.00522%0.224CC..Hα-helixtrans-69.1-15.5-175.1-65.1-174.1000114V99 V105 L108 V123 W127 L130 L138V99-L103 HydrophobicContact CG1-CD1 3.74Å; V99-L103 HydrophobicContact CG1-CG 4.13Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 VanDerWaalsContact O-CG 3.25Å; V99-L103 WeakPolarHBondContact O-CG 3.46Å; V99-L103 PolarHBondContact O-N 3.34Å; L103-V105 VanDerWaalsContact C-N 3.29Å; L103-L108 HydrophobicContact CD2-CD2 3.77Å; L103-V123 HydrophobicContact CD1-CG1 4.33Å; L103-V123 HydrophobicContact CD2-CG1 4.25Å; L103-W127 HydrophobicContact CB-CE3 4.11Å; L103-W127 HydrophobicContact CB-CZ3 4.44Å; L103-W127 HydrophobicContact CD1-CB 4.16Å; L103-W127 HydrophobicContact CD1-CE3 4.31Å; L103-W127 HydrophobicContact CD2-CE3 3.86Å; L103-W127 HydrophobicContact CD2-CZ3 4.26Å; L103-W127 HydrophobicContact CG-CE3 4.3Å; L103-L130 HydrophobicContact CB-CD1 3.43Å; L103-L130 VanDerWaalsContact CB-CD1 3.43Å; L103-L130 HydrophobicContact CD1-CD1 4.43Å; L103-L138 HydrophobicContact CD2-CD2 3.48Å; L103-L138 VanDerWaalsContact CD2-CD2 3.48Å
104G95.5Very high96.9Very high51 Ų5139 Ų3953%0.52621%0.209SC..THydrogen-bonded Turntrans-77.3-11.1171.600000114.3N100 K101 L102N100-G104 PolarHBondContact O-N 3.41Å; K101-G104 PolarHBondContact O-N 3.4Å; L102-G104 PolarHBondContact O-N 3.48Å
105V96.7Very high96.9Very high2 Ų240.3 Ų40.31%0.01222%0.216CC..SBendtrans-63.5125.6-178.6169.10000110.6L70 V71 A74 W88 L102 L103 L108L70-V105 HydrophobicContact CD1-CG1 4.22Å; L70-V105 HydrophobicContact CD2-CG1 4.4Å; L70-V105 HydrophobicContact CD2-CG2 4.4Å; L70-V105 HydrophobicContact CG-CG1 4.09Å; L70-V105 HydrophobicContact CG-CG2 4.1Å; V71-V105 HydrophobicContact CB-CG2 4.45Å; V71-V105 HydrophobicContact CG2-CG2 3.58Å; A74-V105 HydrophobicContact CB-CG1 3.61Å; W88-V105 HydrophobicContact CG-CG1 4.47Å; L102-V105 WeakPolarHBondContact O-CB 3.45Å; L102-V105 WeakPolarHBondContact O-CG2 3.26Å; L102-V105 PolarHBondContact O-N 2.77Å; L103-V105 VanDerWaalsContact C-N 3.29Å; V105-L108 HydrophobicContact CB-CB 4.29Å; V105-L108 HydrophobicContact CG1-CB 4.33Å; V105-L108 PolarHBondContact O-N 2.86Å
106P94.8Very high97.1Very high55 Ų5536.7 Ų36.736%0.35720%0.202SC..THydrogen-bonded Turntrans-64.3145.117328.3-34.1000109.9A74 L108A74-P106 HydrophobicContact CB-CG 4.1Å; A74-P106 WeakPolarHBondContact O-CG 3.14Å; P106-L108 PolarHBondContact O-N 2.83Å; P106-L108 VanDerWaalsContact O-N 3.11Å
107N96.4Very high97.3Very high86 Ų8633.7 Ų33.746%0.4619%0.194SC..THydrogen-bonded Turntrans54.226.7-177.2-57-21.8000115.5P84 I86 W88 F109P84-N107 PolarHBondContact O-ND2 3.47Å; I86-N107 HydrophobicContact CG2-CB 4.33Å; I86-N107 WeakPolarHBondContact O-CB 2.99Å; W88-N107 PolarHBondContact N-O 2.87Å; N107-F109 PolarHBondContact O-N 3.47Å
108L98.2Very high97.5Very high11 Ų1133.7 Ų33.76%0.05819%0.187CC..EExtended strand (participates in β ladder)trans-61.1111.2165.1-177.666.9000109.1L70 F90 L102 L103 V105 P106 V111 L138L70-L108 HydrophobicContact CD2-CD1 4.49Å; F90-L108 HydrophobicContact CB-CD1 4.47Å; L102-L108 HydrophobicContact CD1-CD1 4.04Å; L102-L108 HydrophobicContact CD1-CD2 4.42Å; L102-L108 HydrophobicContact CG-CD2 4.13Å; L103-L108 HydrophobicContact CD2-CD2 3.77Å; V105-L108 HydrophobicContact CB-CB 4.29Å; V105-L108 HydrophobicContact CG1-CB 4.33Å; V105-L108 PolarHBondContact O-N 2.86Å; P106-L108 PolarHBondContact O-N 2.83Å; P106-L108 VanDerWaalsContact O-N 3.11Å; L108-V111 HydrophobicContact CD1-CG2 4.38Å; L108-V111 HydrophobicContact CD2-CG2 4.14Å; L108-L138 HydrophobicContact CD2-CD1 4.15Å; L108-L138 HydrophobicContact CG-CD1 4.23Å
109F98.5Very high97.6Very high45 Ų4531.7 Ų31.720%0.19718%0.176CC..EExtended strand (participates in β ladder)trans-99.1-43.2-171.6-180-103.2000112.4K87 W88 H89 N107 K139K87-F109 HydrophobicContact CB-CB 3.75Å; K87-F109 HydrophobicContact CB-CD1 4.22Å; K87-F109 HydrophobicContact CB-CD2 4.34Å; K87-F109 HydrophobicContact CB-CG 3.86Å; K87-F109 HydrophobicContact CD-CD1 4.44Å; K87-F109 HydrophobicContact CD-CD2 3.95Å; K87-F109 HydrophobicContact CD-CE1 4.46Å; K87-F109 HydrophobicContact CD-CE2 3.98Å; K87-F109 HydrophobicContact CD-CG 4.18Å; K87-F109 HydrophobicContact CD-CZ 4.23Å; K87-F109 HydrophobicContact CG-CB 4.24Å; K87-F109 HydrophobicContact CG-CD2 4.02Å; K87-F109 HydrophobicContact CG-CG 4.06Å; W88-F109 WeakPolarHBondContact O-CB 3.18Å; W88-F109 PolarHBondContact O-N 2.99Å; H89-F109 AromaticContact NE2-CD1 3.42Å; H89-F109 WeakPolarHBondContact NE2-CD1 3.36Å; H89-F109 AromaticContact NE2-CE1 3.91Å; N107-F109 PolarHBondContact O-N 3.47Å; F109-K139 HydrophobicContact CE1-CD 4.33Å; F109-K139 HydrophobicContact CE2-CD 4.39Å; F109-K139 HydrophobicContact CZ-CD 4.11Å; F109-K139 WeakPolarHBondContact O-CB 3.36Å
110L98.8Very high97.6Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-148134.9-173.8-176.163.3000111.3W88 H89 F90 E112 K139 M141W88-L110 PolarHBondContact O-N 3.49Å; H89-L110 CarbonylContact C-O 3.56Å; H89-L110 VanDerWaalsContact CA-O 3.31Å; H89-L110 WeakPolarHBondContact CA-O 3.39Å; F90-L110 PolarHBondContact N-O 2.98Å; L110-E112 HydrophobicContact CD2-CG 3.65Å; L110-E112 HydrophobicContact CG-CG 3.73Å; L110-K139 VanDerWaalsContact CD1-C 3.49Å; L110-K139 HydrophobicContact CD1-CB 3.4Å; L110-K139 VanDerWaalsContact CD1-CB 3.4Å; L110-K139 WeakPolarHBondContact CD1-O 3.5Å; L110-M141 HydrophobicContact CD1-CG 4.2Å; L110-M141 HydrophobicContact CD2-CE 3.63Å; L110-M141 HydrophobicContact CD2-CG 4.37Å; L110-M141 HydrophobicContact CD2-SD 4.04Å
111V98.8Very high97.7Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-108.2111.2167.8177.30000108.4F90 L94 L102 L108 I114 L138 K139 V140 M141F90-V111 HydrophobicContact CB-CG2 4.38Å; F90-V111 HydrophobicContact CD1-CG1 4.37Å; L94-V111 HydrophobicContact CD2-CG1 4.13Å; L102-V111 HydrophobicContact CD2-CG2 4.08Å; L108-V111 HydrophobicContact CD1-CG2 4.38Å; L108-V111 HydrophobicContact CD2-CG2 4.14Å; V111-I114 HydrophobicContact CG1-CD1 4.06Å; V111-L138 HydrophobicContact CG2-CD2 4.07Å; V111-K139 PolarHBondContact N-O 3.16Å; V111-K139 VanDerWaalsContact N-O 3.08Å; V111-V140 HydrophobicContact CB-CG1 4.39Å; V111-V140 CarbonylContact O-C 3.52Å; V111-V140 VanDerWaalsContact O-CA 3.23Å; V111-V140 WeakPolarHBondContact O-CA 3.43Å; V111-M141 PolarHBondContact O-N 3.19Å
112E98.8Very high97.7Very high0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-91.3-0.6-170.8-60.5-171.9-155.700114.3H89 F90 I91 L110 M141 M180 S221H89-E112 IonicContact CE1-OE1 3.03Å; H89-E112 IonicContact CG-OE1 3.62Å; H89-E112 IonicContact ND1-OE1 2.79Å; H89-E112 PolarHBondContact ND1-OE1 3.47Å; F90-E112 PolarHBondContact O-N 3.2Å; I91-E112 HydrophobicContact CG2-CB 4.14Å; I91-E112 HydrophobicContact CG2-CG 4.03Å; L110-E112 HydrophobicContact CD2-CG 3.65Å; L110-E112 HydrophobicContact CG-CG 3.73Å; E112-M141 CarbonylContact C-O 3.44Å; E112-M141 HydrophobicContact CB-CB 4.35Å; E112-M141 HydrophobicContact CB-SD 4.27Å; E112-M141 HydrophobicContact CG-CG 4.43Å; E112-M141 HydrophobicContact CG-SD 3.82Å; E112-M180 HydrophobicContact CB-CB 4.41Å; E112-M180 HydrophobicContact CB-CE 4.39Å; E112-M180 HydrophobicContact CB-CG 4.15Å; E112-M180 WeakPolarHBondContact O-CB 3.46Å; E112-M180 WeakPolarHBondContact O-CE 3.32Å; E112-S221 VanDerWaalsContact OE2-CB 3.23Å; E112-S221 WeakPolarHBondContact OE2-CB 3.3Å; E112-S221 PolarHBondContact OE2-OG 3.06Å
113T98.1Very high97.7Very high0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-119.431.3-160.663.60000113.4G92 D115 M180G92-T113 WeakPolarHBondContact O-CB 3.4Å; G92-T113 WeakPolarHBondContact O-CG2 3.45Å; G92-T113 PolarHBondContact O-OG1 3.39Å; T113-D115 PolarHBondContact O-N 2.86Å; T113-M180 HydrophobicContact CG2-CE 3.62Å
114I98.5Very high97.8Very high0 Ų032 Ų320%018%0.178CC..EExtended strand (participates in β ladder)trans-73.4115.1173.9-56.8-57.6000108.4V111 L119 A120 V123 V140 M141 V142 Q143 I167V111-I114 HydrophobicContact CG1-CD1 4.06Å; I114-L119 HydrophobicContact CD1-CD2 4.18Å; I114-L119 HydrophobicContact CD1-CG 4.13Å; I114-A120 HydrophobicContact CG2-CB 3.91Å; I114-V123 HydrophobicContact CD1-CB 4.5Å; I114-V123 HydrophobicContact CD1-CG2 3.91Å; I114-V140 HydrophobicContact CG1-CB 3.92Å; I114-V140 HydrophobicContact CG1-CG1 4.18Å; I114-M141 WeakPolarHBondContact CB-O 3.4Å; I114-M141 PolarHBondContact N-O 3.46Å; I114-M141 VanDerWaalsContact N-O 3.15Å; I114-V142 CarbonylContact O-C 3.47Å; I114-V142 VanDerWaalsContact O-CA 3.28Å; I114-V142 WeakPolarHBondContact O-CA 3.48Å; I114-Q143 PolarHBondContact O-N 2.96Å; I114-I167 HydrophobicContact CG2-CD1 4.12Å
115D97.1Very high97.8Very high32 Ų3233.6 Ų33.617%0.17118%0.177CC..  trans-116.56.4-17463.96000113.4H93 T113 L119 L155H93-D115 IonicContact CE1-OD2 3.41Å; H93-D115 PolarHBondContact CE1-OD2 2.73Å; H93-D115 IonicContact ND1-OD2 3.16Å; T113-D115 PolarHBondContact O-N 2.86Å; D115-L119 WeakPolarHBondContact OD1-CD2 3.18Å; D115-L155 WeakPolarHBondContact O-CB 3.45Å
116S97.7Very high97.8Very high31 Ų3133.6 Ų33.622%0.21718%0.178CC..SBendtrans-163.9153.8176.557.10000112.6K118 L119 A120S116-K118 PolarHBondContact O-N 2.77Å; S116-L119 PolarHBondContact O-N 3Å; S116-L119 VanDerWaalsContact O-N 3.15Å; S116-L119 WeakPolarHBondContact OG-CB 3.13Å; S116-L119 PolarHBondContact OG-N 3.19Å; S116-A120 PolarHBondContact O-N 3.27Å
117P97.9Very high97.9Very high48 Ų4831.1 Ų31.131%0.31216%0.161SC..Hα-helixtrans-55.2-40.1169.9-27.635.8000112.7L119 A120 D121 T163 H166P117-L119 VanDerWaalsContact C-N 3.32Å; P117-L119 PolarHBondContact O-N 2.86Å; P117-A120 WeakPolarHBondContact O-CB 3.44Å; P117-A120 PolarHBondContact O-N 3.21Å; P117-A120 VanDerWaalsContact O-N 3.14Å; P117-D121 PolarHBondContact O-N 2.88Å; P117-T163 HydrophobicContact CG-CG2 4.33Å; P117-H166 HydrophobicContact CB-CB 4.49Å
118K97.8Very high97.8Very high153 Ų15330.8 Ų30.867%0.66516%0.157SC*.Hα-helixtrans-62.4-37.4178.2-66.5179.6-177.9173.60112.6S116 K122S116-K118 PolarHBondContact O-N 2.77Å; K118-K122 PolarHBondContact O-N 3.19Å
119L98.3Very high97.6Very high3 Ų338 Ų382%0.01618%0.183CC..Hα-helixtrans-71.2-42.9174.2179.361.4000110.4L94 V99 I114 D115 S116 P117 D121 K122 V123L94-L119 HydrophobicContact CB-CD2 4.2Å; L94-L119 HydrophobicContact CD2-CD1 4.2Å; L94-L119 HydrophobicContact CG-CD1 4.17Å; V99-L119 HydrophobicContact CG2-CD1 3.92Å; I114-L119 HydrophobicContact CD1-CD2 4.18Å; I114-L119 HydrophobicContact CD1-CG 4.13Å; D115-L119 WeakPolarHBondContact OD1-CD2 3.18Å; S116-L119 PolarHBondContact O-N 3Å; S116-L119 VanDerWaalsContact O-N 3.15Å; S116-L119 WeakPolarHBondContact OG-CB 3.13Å; S116-L119 PolarHBondContact OG-N 3.19Å; P117-L119 VanDerWaalsContact C-N 3.32Å; P117-L119 PolarHBondContact O-N 2.86Å; L119-D121 PolarHBondContact O-N 2.87Å; L119-K122 PolarHBondContact O-N 3.4Å; L119-V123 HydrophobicContact CD1-CG2 4.12Å; L119-V123 HydrophobicContact CG-CG2 4.34Å; L119-V123 VanDerWaalsContact O-CG2 3.31Å; L119-V123 WeakPolarHBondContact O-CG2 3.49Å; L119-V123 PolarHBondContact O-N 2.7Å
120A98.4Very high97.2Very high0 Ų039.5 Ų39.50%019%0.193CC..Hα-helixtrans-55.5-47.9175.200000112.2I114 S116 P117 K122 V123 N124 I167 L174I114-A120 HydrophobicContact CG2-CB 3.91Å; S116-A120 PolarHBondContact O-N 3.27Å; P117-A120 WeakPolarHBondContact O-CB 3.44Å; P117-A120 PolarHBondContact O-N 3.21Å; P117-A120 VanDerWaalsContact O-N 3.14Å; A120-K122 VanDerWaalsContact C-N 3.3Å; A120-K122 PolarHBondContact O-N 3.45Å; A120-V123 PolarHBondContact O-N 3.17Å; A120-N124 VanDerWaalsContact O-CB 3.3Å; A120-N124 WeakPolarHBondContact O-CB 3.39Å; A120-N124 PolarHBondContact O-N 2.72Å; A120-I167 HydrophobicContact CB-CD1 4.34Å; A120-I167 HydrophobicContact CB-CG1 3.75Å; A120-L174 HydrophobicContact CB-CD1 4.45Å
121D98.4Very high96.6Very high61 Ų6143.7 Ų43.733%0.32621%0.209SC..Hα-helixtrans-58.8-42177.4-71-27.8000112.3P117 L119 N124 T125 H166P117-D121 PolarHBondContact O-N 2.88Å; L119-D121 PolarHBondContact O-N 2.87Å; D121-N124 PolarHBondContact O-N 2.72Å; D121-T125 WeakPolarHBondContact O-CB 3.48Å; D121-T125 PolarHBondContact O-N 3.26Å; D121-T125 PolarHBondContact O-OG1 2.56Å; D121-H166 IonicContact OD1-CD2 3.83Å; D121-H166 IonicContact OD1-CE1 3.44Å; D121-H166 PolarHBondContact OD1-CE1 3.38Å; D121-H166 IonicContact OD1-NE2 2.7Å; D121-H166 PolarHBondContact OD1-NE2 2.95Å; D121-H166 IonicContact OD2-CE1 3.79Å; D121-H166 IonicContact OD2-NE2 3.44Å; D121-H166 PolarHBondContact OD2-NE2 3.24Å
122K98.2Very high95.7Very high83 Ų8346.3 Ų46.336%0.36124%0.236SC..Hα-helixtrans-65.5-46.3178.6-177.957.8177.5-177.60111.2V99 K118 L119 A120 S126V99-K122 HydrophobicContact CB-CG 4.27Å; V99-K122 HydrophobicContact CG1-CG 4.23Å; V99-K122 HydrophobicContact CG2-CG 4.05Å; K118-K122 PolarHBondContact O-N 3.19Å; L119-K122 PolarHBondContact O-N 3.4Å; A120-K122 VanDerWaalsContact C-N 3.3Å; A120-K122 PolarHBondContact O-N 3.45Å; K122-S126 VanDerWaalsContact O-CB 3.25Å; K122-S126 WeakPolarHBondContact O-CB 3.31Å; K122-S126 PolarHBondContact O-N 3.41Å; K122-S126 PolarHBondContact O-OG 2.79Å
123V98.4Very high94.6Very high0 Ų051.7 Ų51.70%028%0.28CS..Hα-helixtrans-63.2-45.2177.2177.70000110.1L94 V99 L103 I114 L119 A120 S126 W127 L138 L174L94-V123 HydrophobicContact CD2-CG2 4.01Å; V99-V123 HydrophobicContact CG1-CG2 4Å; V99-V123 HydrophobicContact CG2-CG2 4.23Å; L103-V123 HydrophobicContact CD1-CG1 4.33Å; L103-V123 HydrophobicContact CD2-CG1 4.25Å; I114-V123 HydrophobicContact CD1-CB 4.5Å; I114-V123 HydrophobicContact CD1-CG2 3.91Å; L119-V123 HydrophobicContact CD1-CG2 4.12Å; L119-V123 HydrophobicContact CG-CG2 4.34Å; L119-V123 VanDerWaalsContact O-CG2 3.31Å; L119-V123 WeakPolarHBondContact O-CG2 3.49Å; L119-V123 PolarHBondContact O-N 2.7Å; A120-V123 PolarHBondContact O-N 3.17Å; V123-S126 PolarHBondContact O-N 3.12Å; V123-W127 VanDerWaalsContact O-CB 3.26Å; V123-W127 WeakPolarHBondContact O-CB 3.46Å; V123-W127 PolarHBondContact O-N 2.91Å; V123-L138 HydrophobicContact CG1-CD2 3.73Å; V123-L174 HydrophobicContact CB-CD1 4.47Å; V123-L174 HydrophobicContact CG1-CD1 4.42Å; V123-L174 HydrophobicContact CG1-CD2 3.77Å
124N97.8Very high93.8Very high10 Ų1054.6 Ų54.65%0.05330%0.3CS..Hα-helixtrans-57.3-55.4177.7179.472.3000111.8A120 D121 S126 W127 Q128 C171 S172 A173 L174A120-N124 VanDerWaalsContact O-CB 3.3Å; A120-N124 WeakPolarHBondContact O-CB 3.39Å; A120-N124 PolarHBondContact O-N 2.72Å; D121-N124 PolarHBondContact O-N 2.72Å; N124-S126 VanDerWaalsContact C-N 3.33Å; N124-S126 PolarHBondContact O-N 2.51Å; N124-W127 PolarHBondContact O-N 3.44Å; N124-Q128 PolarHBondContact ND2-NE2 3.1Å; N124-Q128 WeakPolarHBondContact O-CG 3.36Å; N124-Q128 PolarHBondContact O-N 2.99Å; N124-C171 HydrophobicContact CB-CB 3.91Å; N124-C171 VanDerWaalsContact OD1-CA 3.31Å; N124-C171 WeakPolarHBondContact OD1-CA 3.48Å; N124-S172 PolarHBondContact OD1-N 2.66Å; N124-A173 WeakPolarHBondContact OD1-CB 3.4Å; N124-A173 PolarHBondContact OD1-N 3.36Å; N124-L174 HydrophobicContact CB-CD1 4Å; N124-L174 HydrophobicContact CB-CD2 4.46Å; N124-L174 HydrophobicContact CB-CG 3.92Å
125T96.8Very high92.9Very high85 Ų8560.2 Ų60.252%0.52134%0.339SS..Hα-helixtrans-61.9-42.8-178.3-55.10000111.2D121 R129D121-T125 WeakPolarHBondContact O-CB 3.48Å; D121-T125 PolarHBondContact O-N 3.26Å; D121-T125 PolarHBondContact O-OG1 2.56Å; T125-R129 PolarHBondContact O-N 2.66Å; T125-R129 VanDerWaalsContact O-N 3.14Å
126S96.7Very high92.7Very high2 Ų264.3 Ų64.31%0.01436%0.358CS..Hα-helixtrans-67-38.9178.2-77.20000112.3N100 K122 V123 N124 R129 L130N100-S126 VanDerWaalsContact OD1-CB 3.29Å; N100-S126 WeakPolarHBondContact OD1-CB 3Å; N100-S126 PolarHBondContact OD1-OG 2.77Å; K122-S126 VanDerWaalsContact O-CB 3.25Å; K122-S126 WeakPolarHBondContact O-CB 3.31Å; K122-S126 PolarHBondContact O-N 3.41Å; K122-S126 PolarHBondContact O-OG 2.79Å; V123-S126 PolarHBondContact O-N 3.12Å; N124-S126 VanDerWaalsContact C-N 3.33Å; N124-S126 PolarHBondContact O-N 2.51Å; S126-R129 PolarHBondContact O-N 2.95Å; S126-L130 WeakPolarHBondContact O-CG 3.2Å; S126-L130 PolarHBondContact O-N 3.17Å; S126-L130 VanDerWaalsContact O-N 3.08Å
127W96.5Very high92.6Very high4 Ų468.1 Ų68.12%0.01537%0.367CS..Hα-helixtrans-67-44.9177.5-171.7-106.4000111.9L103 V123 N124 R129 L130 R131 Q136 L138L103-W127 HydrophobicContact CB-CE3 4.11Å; L103-W127 HydrophobicContact CB-CZ3 4.44Å; L103-W127 HydrophobicContact CD1-CB 4.16Å; L103-W127 HydrophobicContact CD1-CE3 4.31Å; L103-W127 HydrophobicContact CD2-CE3 3.86Å; L103-W127 HydrophobicContact CD2-CZ3 4.26Å; L103-W127 HydrophobicContact CG-CE3 4.3Å; V123-W127 VanDerWaalsContact O-CB 3.26Å; V123-W127 WeakPolarHBondContact O-CB 3.46Å; V123-W127 PolarHBondContact O-N 2.91Å; N124-W127 PolarHBondContact O-N 3.44Å; W127-R129 VanDerWaalsContact C-N 3.3Å; W127-R129 PolarHBondContact O-N 2.83Å; W127-L130 PolarHBondContact O-N 3.45Å; W127-R131 HydrophobicContact CD2-CG 3.89Å; W127-R131 HydrophobicContact CE3-CG 4.34Å; W127-R131 HydrophobicContact CG-CG 4.4Å; W127-R131 HydrophobicContact CH2-CG 4.31Å; W127-R131 VanDerWaalsContact CH2-NE 3.29Å; W127-R131 HydrophobicContact CZ2-CG 3.78Å; W127-R131 PolarHBondContact O-N 3.29Å; W127-Q136 PolarHBondContact NE1-O 3.34Å; W127-L138 HydrophobicContact CD2-CB 3.79Å; W127-L138 HydrophobicContact CD2-CD2 4.34Å; W127-L138 HydrophobicContact CE3-CB 4.33Å; W127-L138 HydrophobicContact CE3-CD2 4.18Å; W127-L138 HydrophobicContact CG-CB 4Å; W127-L138 HydrophobicContact CH2-CD1 4.16Å; W127-L138 HydrophobicContact CZ2-CB 4.09Å; W127-L138 HydrophobicContact CZ2-CD1 4.42Å; W127-L138 HydrophobicContact CZ3-CD1 4.28Å
128Q94Very high92.6Very high79 Ų7966 Ų6637%0.36935%0.353SS..Hα-helixtrans-53.4-48.3173.5-74.1175.6-17.500111.4N124 L130 G132 S172 A173N124-Q128 PolarHBondContact ND2-NE2 3.1Å; N124-Q128 WeakPolarHBondContact O-CG 3.36Å; N124-Q128 PolarHBondContact O-N 2.99Å; Q128-L130 PolarHBondContact O-N 3.46Å; Q128-G132 PolarHBondContact O-N 2.87Å; Q128-S172 PolarHBondContact NE2-OG 3.39Å; Q128-A173 HydrophobicContact CB-CB 4.48Å; Q128-A173 HydrophobicContact CG-CB 3.29Å
129R93.5Very high92.7Very high163 Ų16361.9 Ų61.962%0.61534%0.335SS*.Hα-helixtrans-63.2-40.1179.4-176.1179.461.9168.53.3112.9N100 T125 S126 W127N100-R129 VanDerWaalsContact CG-NH2 3.34Å; N100-R129 PolarHBondContact ND2-NH2 2.94Å; N100-R129 PolarHBondContact OD1-NH2 2.68Å; T125-R129 PolarHBondContact O-N 2.66Å; T125-R129 VanDerWaalsContact O-N 3.14Å; S126-R129 PolarHBondContact O-N 2.95Å; W127-R129 VanDerWaalsContact C-N 3.3Å; W127-R129 PolarHBondContact O-N 2.83Å
130L90.9Very high92.7Very high75 Ų7561.7 Ų61.739%0.39334%0.335SS..Hα-helixtrans-75.8-32-177.3-74.4170.8000113.3L103 S126 W127 Q128L103-L130 HydrophobicContact CB-CD1 3.43Å; L103-L130 VanDerWaalsContact CB-CD1 3.43Å; L103-L130 HydrophobicContact CD1-CD1 4.43Å; S126-L130 WeakPolarHBondContact O-CG 3.2Å; S126-L130 PolarHBondContact O-N 3.17Å; S126-L130 VanDerWaalsContact O-N 3.08Å; W127-L130 PolarHBondContact O-N 3.45Å; Q128-L130 PolarHBondContact O-N 3.46Å
131R85.4Confident92.7Very high89 Ų8961.7 Ų61.734%0.33634%0.335SS..Hα-helixtrans-99.4-8.4-176.5-61.6-57.4-179.4-147.5-1.9113.7W127 A133 S134W127-R131 HydrophobicContact CD2-CG 3.89Å; W127-R131 HydrophobicContact CE3-CG 4.34Å; W127-R131 HydrophobicContact CG-CG 4.4Å; W127-R131 HydrophobicContact CH2-CG 4.31Å; W127-R131 VanDerWaalsContact CH2-NE 3.29Å; W127-R131 HydrophobicContact CZ2-CG 3.78Å; W127-R131 PolarHBondContact O-N 3.29Å; R131-A133 PolarHBondContact O-N 2.61Å; R131-S134 VanDerWaalsContact O-CB 3.24Å; R131-S134 WeakPolarHBondContact O-CB 3.46Å; R131-S134 PolarHBondContact O-N 2.88Å
132G79.7Confident92.7Very high55 Ų5558.8 Ų58.857%0.56732%0.319SS*.THydrogen-bonded Turntrans58-123.5173.800000111.7Q128 S134Q128-G132 PolarHBondContact O-N 2.87Å; G132-S134 VanDerWaalsContact C-N 3.26Å; G132-S134 PolarHBondContact O-N 2.93Å
133A75.6Confident92.7Very high112 Ų11255 Ų5593%0.92630%0.303SS*.THydrogen-bonded Turntrans-78.9-1.1179.400000114.4R131 S135R131-A133 PolarHBondContact O-N 2.61Å; A133-S135 PolarHBondContact O-N 3.08Å
134S82.4Confident92.8Very high61 Ų6155 Ų5543%0.42730%0.303SS..  trans-64.7132.2176.5177.50000111R131 G132 Q136R131-S134 VanDerWaalsContact O-CB 3.24Å; R131-S134 WeakPolarHBondContact O-CB 3.46Å; R131-S134 PolarHBondContact O-N 2.88Å; G132-S134 VanDerWaalsContact C-N 3.26Å; G132-S134 PolarHBondContact O-N 2.93Å; S134-Q136 PolarHBondContact O-N 3.29Å; S134-Q136 WeakPolarHBondContact OG-CB 3.47Å; S134-Q136 PolarHBondContact OG-N 3.19Å
135S80.3Confident92.8Very high118 Ų11855.6 Ų55.683%0.82531%0.306SS*.  trans-79.1-0175.157.10000113.4A133 R137A133-S135 PolarHBondContact O-N 3.08Å; S135-R137 PolarHBondContact O-N 3.02Å; S135-R137 VanDerWaalsContact O-N 3.12Å
136Q91.3Very high92.8Very high118 Ų11852.2 Ų52.255%0.55129%0.285SS*.  trans-68.8111.2-178.4-174.1-179.5-2.200111.1W127 S134W127-Q136 PolarHBondContact NE1-O 3.34Å; S134-Q136 PolarHBondContact O-N 3.29Å; S134-Q136 WeakPolarHBondContact OG-CB 3.47Å; S134-Q136 PolarHBondContact OG-N 3.19Å
137R96.4Very high92.6Very high111 Ų11153 Ų5342%0.41929%0.29SS..PPolyproline II helixtrans-80.8137.6174.3-65.6169.868.9-1727.6110.8S135 S172 A173 L174 H175S135-R137 PolarHBondContact O-N 3.02Å; S135-R137 VanDerWaalsContact O-N 3.12Å; R137-S172 PolarHBondContact NE-O 3.48Å; R137-A173 CarbonylContact C-O 3.59Å; R137-A173 VanDerWaalsContact CA-O 3.25Å; R137-A173 WeakPolarHBondContact CA-O 3.32Å; R137-L174 PolarHBondContact NE-O 3.19Å; R137-L174 PolarHBondContact NH2-O 3.4Å; R137-H175 HydrophobicContact CB-CB 3.9Å
138L97.9Very high92.1Very high4 Ų455.4 Ų55.42%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-75.2126.8172.3177.463.6000109.5L103 L108 V111 V123 W127 V140 A173 L174 H175L103-L138 HydrophobicContact CD2-CD2 3.48Å; L103-L138 VanDerWaalsContact CD2-CD2 3.48Å; L108-L138 HydrophobicContact CD2-CD1 4.15Å; L108-L138 HydrophobicContact CG-CD1 4.23Å; V111-L138 HydrophobicContact CG2-CD2 4.07Å; V123-L138 HydrophobicContact CG1-CD2 3.73Å; W127-L138 HydrophobicContact CD2-CB 3.79Å; W127-L138 HydrophobicContact CD2-CD2 4.34Å; W127-L138 HydrophobicContact CE3-CB 4.33Å; W127-L138 HydrophobicContact CE3-CD2 4.18Å; W127-L138 HydrophobicContact CG-CB 4Å; W127-L138 HydrophobicContact CH2-CD1 4.16Å; W127-L138 HydrophobicContact CZ2-CB 4.09Å; W127-L138 HydrophobicContact CZ2-CD1 4.42Å; W127-L138 HydrophobicContact CZ3-CD1 4.28Å; L138-V140 HydrophobicContact CD2-CG1 4.36Å; L138-V140 HydrophobicContact CG-CG1 4.25Å; L138-A173 PolarHBondContact N-O 3.27Å; L138-L174 HydrophobicContact CB-CD2 4.02Å; L138-L174 HydrophobicContact CD2-CD2 4.3Å; L138-L174 CarbonylContact O-C 3.52Å; L138-L174 WeakPolarHBondContact O-CA 3.41Å; L138-H175 PolarHBondContact O-N 2.93Å
139K98.8Very high91.7Very high66 Ų6655.2 Ų55.229%0.28732%0.316SS..EExtended strand (participates in β ladder)trans-70.5136.1173.3-57-170.4177.1-176.90110F109 L110 V111 H175 S177F109-K139 HydrophobicContact CE1-CD 4.33Å; F109-K139 HydrophobicContact CE2-CD 4.39Å; F109-K139 HydrophobicContact CZ-CD 4.11Å; F109-K139 WeakPolarHBondContact O-CB 3.36Å; L110-K139 VanDerWaalsContact CD1-C 3.49Å; L110-K139 HydrophobicContact CD1-CB 3.4Å; L110-K139 VanDerWaalsContact CD1-CB 3.4Å; L110-K139 WeakPolarHBondContact CD1-O 3.5Å; V111-K139 PolarHBondContact N-O 3.16Å; V111-K139 VanDerWaalsContact N-O 3.08Å; K139-H175 WeakPolarHBondContact CA-O 3.23Å; K139-S177 WeakPolarHBondContact CB-OG 3.3Å
140V98.9Very high91.1Very high0 Ų056.5 Ų56.50%033%0.329CS..EExtended strand (participates in β ladder)trans-136.5148.3177.6-60.30000111.7V111 I114 L138 I167 L174 H175 S177V111-V140 HydrophobicContact CB-CG1 4.39Å; V111-V140 CarbonylContact O-C 3.52Å; V111-V140 VanDerWaalsContact O-CA 3.23Å; V111-V140 WeakPolarHBondContact O-CA 3.43Å; I114-V140 HydrophobicContact CG1-CB 3.92Å; I114-V140 HydrophobicContact CG1-CG1 4.18Å; L138-V140 HydrophobicContact CD2-CG1 4.36Å; L138-V140 HydrophobicContact CG-CG1 4.25Å; V140-I167 HydrophobicContact CG2-CG2 4.08Å; V140-L174 HydrophobicContact CG1-CB 4.47Å; V140-L174 HydrophobicContact CG1-CD1 4.3Å; V140-L174 HydrophobicContact CG1-CD2 4.12Å; V140-L174 HydrophobicContact CG2-CB 4.13Å; V140-L174 HydrophobicContact CG2-CD1 4.41Å; V140-H175 PolarHBondContact N-O 3.47Å; V140-S177 PolarHBondContact O-N 3.34Å
141M98.9Very high90.6Very high0 Ų057.7 Ų57.70%034%0.343CS..EExtended strand (participates in β ladder)trans-116.8155.2163.7-58174.7168.800110.7L110 V111 E112 I114 G178 M180 E219 S221 N238L110-M141 HydrophobicContact CD1-CG 4.2Å; L110-M141 HydrophobicContact CD2-CE 3.63Å; L110-M141 HydrophobicContact CD2-CG 4.37Å; L110-M141 HydrophobicContact CD2-SD 4.04Å; V111-M141 PolarHBondContact O-N 3.19Å; E112-M141 CarbonylContact C-O 3.44Å; E112-M141 HydrophobicContact CB-CB 4.35Å; E112-M141 HydrophobicContact CB-SD 4.27Å; E112-M141 HydrophobicContact CG-CG 4.43Å; E112-M141 HydrophobicContact CG-SD 3.82Å; I114-M141 WeakPolarHBondContact CB-O 3.4Å; I114-M141 PolarHBondContact N-O 3.46Å; I114-M141 VanDerWaalsContact N-O 3.15Å; M141-G178 CarbonylContact C-O 3.55Å; M141-G178 WeakPolarHBondContact CA-O 3.32Å; M141-G178 VanDerWaalsContact CB-O 3.23Å; M141-G178 WeakPolarHBondContact CB-O 3.33Å; M141-M180 HydrophobicContact CB-CB 4.32Å; M141-E219 HydrophobicContact CE-CB 3.63Å; M141-E219 HydrophobicContact CE-CG 4.45Å; M141-E219 WeakPolarHBondContact CE-OE2 3.15Å; M141-S221 VanDerWaalsContact SD-CB 3.55Å; M141-N238 WeakPolarHBondContact CE-ND2 3.12Å
142V98.8Very high90.4Very high0 Ų055.5 Ų55.50%034%0.336CS..EExtended strand (participates in β ladder)trans-93.2123.9174.3172.20000109.8I114 V144 L155 T163 V164 I167 F176 G178 L179 M180I114-V142 CarbonylContact O-C 3.47Å; I114-V142 VanDerWaalsContact O-CA 3.28Å; I114-V142 WeakPolarHBondContact O-CA 3.48Å; V142-V144 HydrophobicContact CG1-CG2 4.36Å; V142-L155 HydrophobicContact CG1-CD1 4.38Å; V142-L155 HydrophobicContact CG1-CD2 3.53Å; V142-L155 HydrophobicContact CG1-CG 4.08Å; V142-T163 HydrophobicContact CG1-CG2 4.4Å; V142-T163 HydrophobicContact CG2-CG2 4.22Å; V142-V164 HydrophobicContact CB-CG2 4.46Å; V142-V164 HydrophobicContact CG2-CG2 3.95Å; V142-I167 HydrophobicContact CG2-CD1 3.47Å; V142-I167 VanDerWaalsContact CG2-CD1 3.47Å; V142-F176 HydrophobicContact CG2-CD2 4.37Å; V142-F176 HydrophobicContact CG2-CE2 4.04Å; V142-G178 PolarHBondContact N-O 2.85Å; V142-L179 HydrophobicContact CB-CD2 3.94Å; V142-L179 HydrophobicContact CG1-CD2 4.49Å; V142-L179 CarbonylContact O-C 3.55Å; V142-L179 WeakPolarHBondContact O-CA 3.49Å; V142-M180 PolarHBondContact O-N 3.41Å
143Q98.7Very high90.9Very high3 Ų357.3 Ų57.31%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-86.6118.9176.5179.1177.8-14.300110.7I114 H153 G154 L155 M180I114-Q143 PolarHBondContact O-N 2.96Å; Q143-H153 VanDerWaalsContact NE2-C 3.28Å; Q143-H153 PolarHBondContact NE2-O 3.42Å; Q143-G154 CarbonylContact O-C 3.51Å; Q143-G154 WeakPolarHBondContact O-CA 3.5Å; Q143-L155 PolarHBondContact O-N 2.88Å; Q143-M180 CarbonylContact C-O 3.49Å; Q143-M180 WeakPolarHBondContact CA-O 3.48Å; Q143-M180 HydrophobicContact CB-CE 4.01Å; Q143-M180 HydrophobicContact CB-SD 4.49Å; Q143-M180 HydrophobicContact CG-CE 3.71Å; Q143-M180 HydrophobicContact CG-SD 4Å
144V98.6Very high91.8Very high1 Ų152.9 Ų52.91%0.00630%0.295CS..BIsolated β-bridgetrans-105.4131.5179.7-174.40000109.5V142 T146 L155 P157 T160 M180 T181 L200V142-V144 HydrophobicContact CG1-CG2 4.36Å; V144-T146 HydrophobicContact CB-CG2 4.35Å; V144-T146 HydrophobicContact CG1-CG2 4.05Å; V144-T146 PolarHBondContact O-N 3.41Å; V144-T146 VanDerWaalsContact O-N 3.15Å; V144-L155 HydrophobicContact CG1-CD1 4.47Å; V144-L155 HydrophobicContact CG2-CD1 4.19Å; V144-P157 HydrophobicContact CG1-CB 4.12Å; V144-P157 HydrophobicContact CG1-CG 4.02Å; V144-T160 HydrophobicContact CG2-CG2 3.97Å; V144-T160 WeakPolarHBondContact CG2-OG1 3.35Å; V144-M180 PolarHBondContact N-O 3.37Å; V144-T181 PolarHBondContact O-OG1 3.38Å; V144-L200 HydrophobicContact CB-CD1 3.96Å; V144-L200 HydrophobicContact CG2-CD1 3.97Å
145N97.7Very high92.5Very high22 Ų2250.3 Ų50.312%0.11828%0.276CS..  trans-8287.7170.7-175.7-0.2000109.9S147 G148 E149 K152 L155N145-S147 VanDerWaalsContact C-N 3.29Å; N145-S147 PolarHBondContact O-N 2.99Å; N145-S147 PolarHBondContact OD1-N 3.12Å; N145-S147 PolarHBondContact OD1-OG 3.07Å; N145-G148 PolarHBondContact OD1-N 2.74Å; N145-E149 PolarHBondContact ND2-O 2.77Å; N145-K152 PolarHBondContact ND2-O 2.83Å; N145-L155 PolarHBondContact N-O 2.99Å
146T97.1Very high93.3Very high13 Ų1347.2 Ų47.28%0.0825%0.254CS..  trans-77.1-15.6178.959.20000113.7V144 T181 D196 M199 L200V144-T146 HydrophobicContact CB-CG2 4.35Å; V144-T146 HydrophobicContact CG1-CG2 4.05Å; V144-T146 PolarHBondContact O-N 3.41Å; V144-T146 VanDerWaalsContact O-N 3.15Å; T146-T181 HydrophobicContact CG2-CG2 4.21Å; T146-T181 PolarHBondContact OG1-OG1 3.4Å; T146-D196 VanDerWaalsContact CB-OD1 3.32Å; T146-D196 WeakPolarHBondContact CB-OD1 3.2Å; T146-D196 VanDerWaalsContact O-OD1 3.04Å; T146-D196 VanDerWaalsContact OG1-CB 3.28Å; T146-D196 WeakPolarHBondContact OG1-CB 3.34Å; T146-D196 PolarHBondContact OG1-OD1 3.2Å; T146-M199 HydrophobicContact CG2-CB 4.02Å; T146-M199 HydrophobicContact CG2-CG 3.89Å; T146-L200 HydrophobicContact CG2-CB 4.32Å; T146-L200 HydrophobicContact CG2-CD1 4.28Å
147S92.4Very high93.6Very high18 Ų1842.9 Ų42.913%0.12624%0.235CC..SBendtrans-83.2-23-171.8700000113.7N145 E149 K152 D196N145-S147 VanDerWaalsContact C-N 3.29Å; N145-S147 PolarHBondContact O-N 2.99Å; N145-S147 PolarHBondContact OD1-N 3.12Å; N145-S147 PolarHBondContact OD1-OG 3.07Å; S147-E149 PolarHBondContact O-N 2.84Å; S147-E149 PolarHBondContact OG-N 2.96Å; S147-K152 VanDerWaalsContact OG-CD 3.3Å; S147-K152 WeakPolarHBondContact OG-CD 3.5Å; S147-D196 WeakPolarHBondContact CA-OD1 3.41Å; S147-D196 PolarHBondContact N-OD1 3.45Å
148G86.9Confident93.6Very high56 Ų5643.8 Ų43.858%0.57725%0.245SC*.  trans73.8-1.8-172.300000114.6N145 Q150N145-G148 PolarHBondContact OD1-N 2.74Å; G148-Q150 PolarHBondContact O-N 2.86Å
149E86.1Confident93.6Very high75 Ų7547 Ų4735%0.3526%0.262SS..  trans-72.8122.5176.6-65.7169.6-141.200110.3N145 S147 S151 K152N145-E149 PolarHBondContact ND2-O 2.77Å; S147-E149 PolarHBondContact O-N 2.84Å; S147-E149 PolarHBondContact OG-N 2.96Å; E149-S151 PolarHBondContact O-N 3.42Å; E149-K152 HydrophobicContact CB-CD 4.15Å; E149-K152 HydrophobicContact CB-CG 4.32Å; E149-K152 PolarHBondContact O-N 2.67Å; E149-K152 VanDerWaalsContact O-N 3.11Å; E149-K152 IonicContact OE1-NZ 2.83Å; E149-K152 PolarHBondContact OE1-NZ 3.35Å; E149-K152 WeakPolarHBondContact OE2-CD 3.42Å; E149-K152 WeakPolarHBondContact OE2-CE 3.26Å; E149-K152 IonicContact OE2-NZ 2.73Å; E149-K152 PolarHBondContact OE2-NZ 3.25Å
150Q80.5Confident93.6Very high190 Ų19043.9 Ų43.989%0.88825%0.248SC*.THydrogen-bonded Turntrans-63.7-21.5179.9-64.9-63.2-27.900113.5G148 K152G148-Q150 PolarHBondContact O-N 2.86Å; Q150-K152 VanDerWaalsContact C-N 3.27Å; Q150-K152 PolarHBondContact O-N 3.13Å
151S79.4Confident93.6Very high99 Ų9945.5 Ų45.569%0.69226%0.258SS*.THydrogen-bonded Turntrans-76.8-11.9177.655.70000113.5E149E149-S151 PolarHBondContact O-N 3.42Å
152K82.1Confident93.6Very high43 Ų4350.7 Ų50.719%0.18729%0.286CS..SBendtrans-97.9139.4-177.7-75.7176.3178.5161.60111.7N145 S147 E149 Q150 G183N145-K152 PolarHBondContact ND2-O 2.83Å; S147-K152 VanDerWaalsContact OG-CD 3.3Å; S147-K152 WeakPolarHBondContact OG-CD 3.5Å; E149-K152 HydrophobicContact CB-CD 4.15Å; E149-K152 HydrophobicContact CB-CG 4.32Å; E149-K152 PolarHBondContact O-N 2.67Å; E149-K152 VanDerWaalsContact O-N 3.11Å; E149-K152 IonicContact OE1-NZ 2.83Å; E149-K152 PolarHBondContact OE1-NZ 3.35Å; E149-K152 WeakPolarHBondContact OE2-CD 3.42Å; E149-K152 WeakPolarHBondContact OE2-CE 3.26Å; E149-K152 IonicContact OE2-NZ 2.73Å; E149-K152 PolarHBondContact OE2-NZ 3.25Å; Q150-K152 VanDerWaalsContact C-N 3.27Å; Q150-K152 PolarHBondContact O-N 3.13Å; K152-G183 PolarHBondContact NZ-O 3.13Å
153H91Very high93.5Very high94 Ų9450.9 Ų50.944%0.43529%0.287SS..  trans-73.7160.5174.1-59.6-68.2000111.9H93 Q143H93-H153 AromaticContact CD2-CE1 3.55Å; H93-H153 AromaticContact CD2-ND1 3.93Å; H93-H153 AromaticContact CD2-NE2 3.87Å; H93-H153 AromaticContact CE1-CE1 3.92Å; H93-H153 AromaticContact CE1-ND1 3.59Å; H93-H153 AromaticContact CG-CD2 3.75Å; H93-H153 AromaticContact CG-CE1 3.52Å; H93-H153 AromaticContact CG-CG 3.73Å; H93-H153 AromaticContact CG-ND1 3.6Å; H93-H153 AromaticContact CG-NE2 3.61Å; H93-H153 AromaticContact ND1-CE1 3.77Å; H93-H153 AromaticContact ND1-CG 3.56Å; H93-H153 AromaticContact ND1-ND1 3.37Å; H93-H153 PolarHBondContact ND1-ND1 3.5Å; H93-H153 AromaticContact NE2-CE1 3.82Å; H93-H153 AromaticContact NE2-ND1 3.94Å; Q143-H153 VanDerWaalsContact NE2-C 3.28Å; Q143-H153 PolarHBondContact NE2-O 3.42Å
154G94.4Very high93.5Very high18 Ų1850.7 Ų50.719%0.18629%0.286CS..SBendtrans119.8155.7-176.200000110.8Q143Q143-G154 CarbonylContact O-C 3.51Å; Q143-G154 WeakPolarHBondContact O-CA 3.5Å
155L96.4Very high93.5Very high7 Ų756.4 Ų56.44%0.03731%0.311CS..BIsolated β-bridgetrans-76.8155.5175.955.381.6000111.7D115 V142 Q143 V144 N145 D159 T160 T163D115-L155 WeakPolarHBondContact O-CB 3.45Å; V142-L155 HydrophobicContact CG1-CD1 4.38Å; V142-L155 HydrophobicContact CG1-CD2 3.53Å; V142-L155 HydrophobicContact CG1-CG 4.08Å; Q143-L155 PolarHBondContact O-N 2.88Å; V144-L155 HydrophobicContact CG1-CD1 4.47Å; V144-L155 HydrophobicContact CG2-CD1 4.19Å; N145-L155 PolarHBondContact N-O 2.99Å; L155-D159 HydrophobicContact CB-CB 4.41Å; L155-D159 HydrophobicContact CD1-CB 4.12Å; L155-T160 WeakPolarHBondContact CD1-OG1 3.43Å; L155-T163 HydrophobicContact CD2-CG2 3.71Å; L155-T163 WeakPolarHBondContact CD2-OG1 3.09Å
156P96.9Very high93.6Very high54 Ų5457.5 Ų57.535%0.35132%0.315SS..  trans-55.6138.3168.6-22.834000111.2E158 D159P156-E158 HydrophobicContact CB-CG 4.09Å; P156-E158 VanDerWaalsContact CB-OE1 3.27Å; P156-E158 WeakPolarHBondContact CB-OE1 3.3Å; P156-E158 VanDerWaalsContact CB-OE2 3.25Å; P156-E158 WeakPolarHBondContact CB-OE2 3.27Å; P156-E158 PolarHBondContact O-N 2.93Å; P156-E158 VanDerWaalsContact O-N 3.08Å; P156-D159 PolarHBondContact O-N 3.11Å
157P97.4Very high93.7Very high26 Ų2656.9 Ų56.917%0.16931%0.311CS..G310 helixtrans-49.8-37.7-177.4-29.135.8000114.8V144 D159 T160 M199 R203V144-P157 HydrophobicContact CG1-CB 4.12Å; V144-P157 HydrophobicContact CG1-CG 4.02Å; P157-D159 PolarHBondContact O-N 2.83Å; P157-T160 VanDerWaalsContact O-CB 3.26Å; P157-T160 WeakPolarHBondContact O-CB 3.49Å; P157-T160 PolarHBondContact O-N 2.82Å; P157-T160 PolarHBondContact O-OG1 3.24Å; P157-M199 HydrophobicContact CB-CG 4.41Å; P157-M199 HydrophobicContact CB-SD 4.16Å; P157-M199 HydrophobicContact CG-CG 4.36Å; P157-M199 HydrophobicContact CG-SD 4.49Å; P157-R203 HydrophobicContact CB-CG 4.34Å; P157-R203 VanDerWaalsContact O-CD 3.3Å; P157-R203 WeakPolarHBondContact O-CD 3.25Å
158E97.1Very high93.9Very high131 Ų13159.3 Ų59.361%0.61233%0.325SS*.G310 helixtrans-60.9-27.717861.9-89.3-149.600114P156 T160P156-E158 HydrophobicContact CB-CG 4.09Å; P156-E158 VanDerWaalsContact CB-OE1 3.27Å; P156-E158 WeakPolarHBondContact CB-OE1 3.3Å; P156-E158 VanDerWaalsContact CB-OE2 3.25Å; P156-E158 WeakPolarHBondContact CB-OE2 3.27Å; P156-E158 PolarHBondContact O-N 2.93Å; P156-E158 VanDerWaalsContact O-N 3.08Å; E158-T160 VanDerWaalsContact C-N 3.29Å; E158-T160 PolarHBondContact O-N 3.5Å
159D97.8Very high94.5Very high71 Ų7160.1 Ų60.138%0.3832%0.322SS..G310 helixtrans-84.5-4.3-179.2-72.7-24.7000112.9L155 P156 P157 N162 T163L155-D159 HydrophobicContact CB-CB 4.41Å; L155-D159 HydrophobicContact CD1-CB 4.12Å; P156-D159 PolarHBondContact O-N 3.11Å; P157-D159 PolarHBondContact O-N 2.83Å; D159-N162 PolarHBondContact O-N 2.95Å; D159-T163 WeakPolarHBondContact O-CB 3.31Å; D159-T163 PolarHBondContact O-N 2.76Å; D159-T163 PolarHBondContact O-OG1 2.93Å
160T98.4Very high95Very high0 Ų062.4 Ų62.40%033%0.333CS..Hα-helixtrans-60.6-54.1-172.4-54.70000111.7V144 L155 P157 E158 N162 T163 V164 L179 R203 V207V144-T160 HydrophobicContact CG2-CG2 3.97Å; V144-T160 WeakPolarHBondContact CG2-OG1 3.35Å; L155-T160 WeakPolarHBondContact CD1-OG1 3.43Å; P157-T160 VanDerWaalsContact O-CB 3.26Å; P157-T160 WeakPolarHBondContact O-CB 3.49Å; P157-T160 PolarHBondContact O-N 2.82Å; P157-T160 PolarHBondContact O-OG1 3.24Å; E158-T160 VanDerWaalsContact C-N 3.29Å; E158-T160 PolarHBondContact O-N 3.5Å; T160-N162 VanDerWaalsContact C-N 3.34Å; T160-N162 PolarHBondContact O-N 3.44Å; T160-T163 PolarHBondContact O-N 2.81Å; T160-V164 HydrophobicContact CG2-CG2 4.4Å; T160-V164 WeakPolarHBondContact O-CG2 3.16Å; T160-V164 PolarHBondContact O-N 3.27Å; T160-L179 HydrophobicContact CG2-CD1 4.04Å; T160-L179 HydrophobicContact CG2-CD2 3.69Å; T160-R203 HydrophobicContact CG2-CB 4.16Å; T160-V207 HydrophobicContact CG2-CG2 3.96Å
161V98.4Very high95.8Very high35 Ų3553.4 Ų53.421%0.21229%0.291CS..Hα-helixtrans-61.4-44.1-175.8178.20000111T163 V164 K165 E206 V207V161-T163 PolarHBondContact O-N 3.48Å; V161-V164 PolarHBondContact O-N 3.14Å; V161-K165 WeakPolarHBondContact O-CB 3.36Å; V161-K165 PolarHBondContact O-N 3.24Å; V161-E206 HydrophobicContact CG2-CB 3.85Å; V161-V207 HydrophobicContact CG2-CG2 4.04Å
162N98.3Very high96.6Very high108 Ų10852.6 Ų52.658%0.57829%0.285SS*.Hα-helixtrans-63.6-41.4178.9-73.6-27.3000112D159 T160 K165 H166D159-N162 PolarHBondContact O-N 2.95Å; T160-N162 VanDerWaalsContact C-N 3.34Å; T160-N162 PolarHBondContact O-N 3.44Å; N162-K165 PolarHBondContact O-N 2.98Å; N162-H166 WeakPolarHBondContact O-CB 3.47Å; N162-H166 PolarHBondContact O-N 3.44Å
163T98.6Very high97.3Very high4 Ų451.1 Ų51.13%0.02528%0.281CS..Hα-helixtrans-68.2-41.7178.3-59.50000111.9P117 V142 L155 D159 T160 V161 H166 I167P117-T163 HydrophobicContact CG-CG2 4.33Å; V142-T163 HydrophobicContact CG1-CG2 4.4Å; V142-T163 HydrophobicContact CG2-CG2 4.22Å; L155-T163 HydrophobicContact CD2-CG2 3.71Å; L155-T163 WeakPolarHBondContact CD2-OG1 3.09Å; D159-T163 WeakPolarHBondContact O-CB 3.31Å; D159-T163 PolarHBondContact O-N 2.76Å; D159-T163 PolarHBondContact O-OG1 2.93Å; T160-T163 PolarHBondContact O-N 2.81Å; V161-T163 PolarHBondContact O-N 3.48Å; T163-H166 WeakPolarHBondContact O-CB 3.33Å; T163-H166 PolarHBondContact O-N 3Å; T163-I167 HydrophobicContact CG2-CD1 4.27Å; T163-I167 WeakPolarHBondContact O-CG1 3.25Å; T163-I167 PolarHBondContact O-N 3.06Å
164V98.8Very high97.7Very high0 Ų046.7 Ų46.70%026%0.26CS..Hα-helixtrans-64.1-43.9175.2179.10000110.7V142 T160 V161 H166 I167 V168 F176 L179 V207 L211V142-V164 HydrophobicContact CB-CG2 4.46Å; V142-V164 HydrophobicContact CG2-CG2 3.95Å; T160-V164 HydrophobicContact CG2-CG2 4.4Å; T160-V164 WeakPolarHBondContact O-CG2 3.16Å; T160-V164 PolarHBondContact O-N 3.27Å; V161-V164 PolarHBondContact O-N 3.14Å; V164-H166 VanDerWaalsContact C-N 3.26Å; V164-H166 PolarHBondContact O-N 3.33Å; V164-I167 PolarHBondContact O-N 2.92Å; V164-I167 VanDerWaalsContact O-N 3.14Å; V164-V168 HydrophobicContact CG1-CG2 4.11Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.04Å; V164-F176 HydrophobicContact CB-CE2 4.28Å; V164-F176 HydrophobicContact CB-CZ 4.31Å; V164-F176 HydrophobicContact CG1-CD1 3.68Å; V164-F176 HydrophobicContact CG1-CD2 3.92Å; V164-F176 HydrophobicContact CG1-CE1 3.53Å; V164-F176 HydrophobicContact CG1-CE2 3.78Å; V164-F176 HydrophobicContact CG1-CG 3.87Å; V164-F176 HydrophobicContact CG1-CZ 3.58Å; V164-F176 HydrophobicContact CG2-CD2 4.22Å; V164-F176 HydrophobicContact CG2-CE1 4.43Å; V164-F176 HydrophobicContact CG2-CE2 3.51Å; V164-F176 HydrophobicContact CG2-CZ 3.63Å; V164-L179 HydrophobicContact CG2-CD2 4.03Å; V164-V207 HydrophobicContact CB-CG1 4.26Å; V164-V207 HydrophobicContact CB-CG2 4.33Å; V164-V207 HydrophobicContact CG1-CG1 3.8Å; V164-V207 HydrophobicContact CG2-CG1 4.29Å; V164-V207 HydrophobicContact CG2-CG2 3.97Å; V164-L211 HydrophobicContact CB-CD1 4.07Å; V164-L211 HydrophobicContact CG1-CD1 3.55Å
165K98.6Very high97.9Very high120 Ų12049.3 Ų49.352%0.52227%0.268SS..Hα-helixtrans-56.1-42.8175.4-174177.2176.8179.10111.7V161 N162 S169 L211V161-K165 WeakPolarHBondContact O-CB 3.36Å; V161-K165 PolarHBondContact O-N 3.24Å; N162-K165 PolarHBondContact O-N 2.98Å; K165-S169 WeakPolarHBondContact O-CB 3.49Å; K165-S169 PolarHBondContact O-N 3.15Å; K165-S169 PolarHBondContact O-OG 3.07Å; K165-L211 HydrophobicContact CB-CD1 4.33Å; K165-L211 HydrophobicContact CB-CD2 3.86Å; K165-L211 HydrophobicContact CD-CD2 4.3Å; K165-L211 HydrophobicContact CG-CD2 3.87Å
166H98.7Very high98Very high45 Ų4549.7 Ų49.721%0.20827%0.269CS..Hα-helixtrans-60.7-48.9175.6-177.483.3000111.6P117 D121 N162 T163 V164 V168 S169 Q170P117-H166 HydrophobicContact CB-CB 4.49Å; D121-H166 IonicContact OD1-CD2 3.83Å; D121-H166 IonicContact OD1-CE1 3.44Å; D121-H166 PolarHBondContact OD1-CE1 3.38Å; D121-H166 IonicContact OD1-NE2 2.7Å; D121-H166 PolarHBondContact OD1-NE2 2.95Å; D121-H166 IonicContact OD2-CE1 3.79Å; D121-H166 IonicContact OD2-NE2 3.44Å; D121-H166 PolarHBondContact OD2-NE2 3.24Å; N162-H166 WeakPolarHBondContact O-CB 3.47Å; N162-H166 PolarHBondContact O-N 3.44Å; T163-H166 WeakPolarHBondContact O-CB 3.33Å; T163-H166 PolarHBondContact O-N 3Å; V164-H166 VanDerWaalsContact C-N 3.26Å; V164-H166 PolarHBondContact O-N 3.33Å; H166-V168 PolarHBondContact O-N 2.72Å; H166-S169 PolarHBondContact O-N 2.64Å; H166-Q170 WeakPolarHBondContact O-CA 3.43Å; H166-Q170 VanDerWaalsContact O-CB 3.3Å; H166-Q170 WeakPolarHBondContact O-CB 3.43Å; H166-Q170 PolarHBondContact O-N 2.77Å
167I98.6Very high98.1Very high0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-59.8-48.8178.3-66.4165.1000111I114 A120 V140 V142 T163 V164 S169 C171 L174 F176I114-I167 HydrophobicContact CG2-CD1 4.12Å; A120-I167 HydrophobicContact CB-CD1 4.34Å; A120-I167 HydrophobicContact CB-CG1 3.75Å; V140-I167 HydrophobicContact CG2-CG2 4.08Å; V142-I167 HydrophobicContact CG2-CD1 3.47Å; V142-I167 VanDerWaalsContact CG2-CD1 3.47Å; T163-I167 HydrophobicContact CG2-CD1 4.27Å; T163-I167 WeakPolarHBondContact O-CG1 3.25Å; T163-I167 PolarHBondContact O-N 3.06Å; V164-I167 PolarHBondContact O-N 2.92Å; V164-I167 VanDerWaalsContact O-N 3.14Å; I167-S169 VanDerWaalsContact C-N 3.35Å; I167-S169 PolarHBondContact O-N 3.16Å; I167-C171 HydrophobicContact CG2-CB 4.36Å; I167-C171 VanDerWaalsContact O-CB 3.26Å; I167-C171 WeakPolarHBondContact O-CB 3.45Å; I167-C171 PolarHBondContact O-N 3.34Å; I167-C171 VanDerWaalsContact O-N 3.11Å; I167-L174 HydrophobicContact CG2-CB 4.29Å; I167-F176 HydrophobicContact CG2-CB 4.03Å
168V98.1Very high98.1Very high69 Ų6946.1 Ų46.142%0.41825%0.246SC..Hα-helixtrans-65-38.4-176.6172.80000111.9V164 H166 F176V164-V168 HydrophobicContact CG1-CG2 4.11Å; V164-V168 WeakPolarHBondContact O-CG2 3.47Å; V164-V168 PolarHBondContact O-N 3.04Å; H166-V168 PolarHBondContact O-N 2.72Å; V168-F176 HydrophobicContact CG2-CB 4.03Å; V168-F176 HydrophobicContact CG2-CD1 4.45Å; V168-F176 HydrophobicContact CG2-CG 4.44Å
169S97.9Very high98.2Very high74 Ų7439.9 Ų39.952%0.51722%0.217SC..Hα-helixtrans-92.7-31-174.264.20000114.9K165 H166 I167K165-S169 WeakPolarHBondContact O-CB 3.49Å; K165-S169 PolarHBondContact O-N 3.15Å; K165-S169 PolarHBondContact O-OG 3.07Å; H166-S169 PolarHBondContact O-N 2.64Å; I167-S169 VanDerWaalsContact C-N 3.35Å; I167-S169 PolarHBondContact O-N 3.16Å
170Q98Very high98.2Very high122 Ų12236.6 Ų36.657%0.5720%0.2SC*.Hα-helixtrans-112-20.9-171.8-53.3-54.4-57.700113.5H166 S172H166-Q170 WeakPolarHBondContact O-CA 3.43Å; H166-Q170 VanDerWaalsContact O-CB 3.3Å; H166-Q170 WeakPolarHBondContact O-CB 3.43Å; H166-Q170 PolarHBondContact O-N 2.77Å; Q170-S172 PolarHBondContact O-N 3.22Å
171C97.8Very high98.2Very high1 Ų136.7 Ų36.71%0.00720%0.2CC..  trans-103.474.2-175.1-60.40000111.9N124 I167 A173 L174N124-C171 HydrophobicContact CB-CB 3.91Å; N124-C171 VanDerWaalsContact OD1-CA 3.31Å; N124-C171 WeakPolarHBondContact OD1-CA 3.48Å; I167-C171 HydrophobicContact CG2-CB 4.36Å; I167-C171 VanDerWaalsContact O-CB 3.26Å; I167-C171 WeakPolarHBondContact O-CB 3.45Å; I167-C171 PolarHBondContact O-N 3.34Å; I167-C171 VanDerWaalsContact O-N 3.11Å; C171-A173 PolarHBondContact O-N 3.48Å; C171-A173 VanDerWaalsContact O-N 3.11Å; C171-L174 HydrophobicContact CB-CB 3.95Å; C171-L174 HydrophobicContact CB-CD1 3.76Å; C171-L174 HydrophobicContact CB-CG 3.85Å; C171-L174 PolarHBondContact O-N 3.11Å
172S96Very high98.1Very high83 Ų8338 Ų3858%0.5821%0.205SC*.THydrogen-bonded Turntrans-59.6-25.3-174.862.10000114.9N124 Q128 R137 Q170N124-S172 PolarHBondContact OD1-N 2.66Å; Q128-S172 PolarHBondContact NE2-OG 3.39Å; R137-S172 PolarHBondContact NE-O 3.48Å; Q170-S172 PolarHBondContact O-N 3.22Å
173A97.1Very high97.9Very high12 Ų1233 Ų3310%0.09918%0.179CC..THydrogen-bonded Turntrans-94.50.3-179.800000113.7N124 Q128 R137 L138 C171N124-A173 WeakPolarHBondContact OD1-CB 3.4Å; N124-A173 PolarHBondContact OD1-N 3.36Å; Q128-A173 HydrophobicContact CB-CB 4.48Å; Q128-A173 HydrophobicContact CG-CB 3.29Å; R137-A173 CarbonylContact C-O 3.59Å; R137-A173 VanDerWaalsContact CA-O 3.25Å; R137-A173 WeakPolarHBondContact CA-O 3.32Å; L138-A173 PolarHBondContact N-O 3.27Å; C171-A173 PolarHBondContact O-N 3.48Å; C171-A173 VanDerWaalsContact O-N 3.11Å
174L98.1Very high97.5Very high0 Ų037 Ų370%019%0.194CC..EExtended strand (participates in β ladder)trans-107.4143.6174-54.5-173.3000109.8A120 V123 N124 R137 L138 V140 I167 C171A120-L174 HydrophobicContact CB-CD1 4.45Å; V123-L174 HydrophobicContact CB-CD1 4.47Å; V123-L174 HydrophobicContact CG1-CD1 4.42Å; V123-L174 HydrophobicContact CG1-CD2 3.77Å; N124-L174 HydrophobicContact CB-CD1 4Å; N124-L174 HydrophobicContact CB-CD2 4.46Å; N124-L174 HydrophobicContact CB-CG 3.92Å; R137-L174 PolarHBondContact NE-O 3.19Å; R137-L174 PolarHBondContact NH2-O 3.4Å; L138-L174 HydrophobicContact CB-CD2 4.02Å; L138-L174 HydrophobicContact CD2-CD2 4.3Å; L138-L174 CarbonylContact O-C 3.52Å; L138-L174 WeakPolarHBondContact O-CA 3.41Å; V140-L174 HydrophobicContact CG1-CB 4.47Å; V140-L174 HydrophobicContact CG1-CD1 4.3Å; V140-L174 HydrophobicContact CG1-CD2 4.12Å; V140-L174 HydrophobicContact CG2-CB 4.13Å; V140-L174 HydrophobicContact CG2-CD1 4.41Å; I167-L174 HydrophobicContact CG2-CB 4.29Å; C171-L174 HydrophobicContact CB-CB 3.95Å; C171-L174 HydrophobicContact CB-CD1 3.76Å; C171-L174 HydrophobicContact CB-CG 3.85Å; C171-L174 PolarHBondContact O-N 3.11Å
175H98.3Very high97Very high74 Ų7446.1 Ų46.134%0.34323%0.23SC..EExtended strand (participates in β ladder)trans-111.5110169.8172.470.2000108.3R137 L138 K139 V140 S177R137-H175 HydrophobicContact CB-CB 3.9Å; L138-H175 PolarHBondContact O-N 2.93Å; K139-H175 WeakPolarHBondContact CA-O 3.23Å; V140-H175 PolarHBondContact N-O 3.47Å; H175-S177 PolarHBondContact CD2-OG 3.49Å; H175-S177 VanDerWaalsContact CD2-OG 3.3Å; H175-S177 PolarHBondContact O-N 3.4Å; H175-S177 PolarHBondContact O-OG 3.23Å
176F98.7Very high96.3Very high15 Ų1543 Ų437%0.06623%0.231CC..EExtended strand (participates in β ladder)trans-63.3119.2172.5174.2-108000109.3V142 V164 I167 V168 G178 L179 V207 L213 V218V142-F176 HydrophobicContact CG2-CD2 4.37Å; V142-F176 HydrophobicContact CG2-CE2 4.04Å; V164-F176 HydrophobicContact CB-CE2 4.28Å; V164-F176 HydrophobicContact CB-CZ 4.31Å; V164-F176 HydrophobicContact CG1-CD1 3.68Å; V164-F176 HydrophobicContact CG1-CD2 3.92Å; V164-F176 HydrophobicContact CG1-CE1 3.53Å; V164-F176 HydrophobicContact CG1-CE2 3.78Å; V164-F176 HydrophobicContact CG1-CG 3.87Å; V164-F176 HydrophobicContact CG1-CZ 3.58Å; V164-F176 HydrophobicContact CG2-CD2 4.22Å; V164-F176 HydrophobicContact CG2-CE1 4.43Å; V164-F176 HydrophobicContact CG2-CE2 3.51Å; V164-F176 HydrophobicContact CG2-CZ 3.63Å; I167-F176 HydrophobicContact CG2-CB 4.03Å; V168-F176 HydrophobicContact CG2-CB 4.03Å; V168-F176 HydrophobicContact CG2-CD1 4.45Å; V168-F176 HydrophobicContact CG2-CG 4.44Å; F176-G178 WeakPolarHBondContact CE2-O 3.14Å; F176-L179 HydrophobicContact CE2-CD2 4.08Å; F176-L179 HydrophobicContact CZ-CD2 3.92Å; F176-V207 HydrophobicContact CE1-CG1 4.11Å; F176-V207 HydrophobicContact CZ-CG1 4.25Å; F176-L213 HydrophobicContact CD1-CD1 4.14Å; F176-L213 HydrophobicContact CE1-CD1 4.09Å; F176-V218 HydrophobicContact CE1-CG1 3.91Å; F176-V218 HydrophobicContact CE1-CG2 4.14Å; F176-V218 HydrophobicContact CZ-CG1 4.01Å
177S98.5Very high95.9Very high5 Ų543.3 Ų43.34%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-109.1-21.6-176.9-56.10000113.3K139 V140 H175 E219K139-S177 WeakPolarHBondContact CB-OG 3.3Å; V140-S177 PolarHBondContact O-N 3.34Å; H175-S177 PolarHBondContact CD2-OG 3.49Å; H175-S177 VanDerWaalsContact CD2-OG 3.3Å; H175-S177 PolarHBondContact O-N 3.4Å; H175-S177 PolarHBondContact O-OG 3.23Å; S177-E219 WeakPolarHBondContact O-CB 3.39Å; S177-E219 PolarHBondContact O-N 2.97Å
178G98.6Very high95.6Very high0 Ų047.1 Ų47.10%025%0.251CS..EExtended strand (participates in β ladder)trans165.5-173-173.100000115.8M141 V142 F176 E219M141-G178 CarbonylContact C-O 3.55Å; M141-G178 WeakPolarHBondContact CA-O 3.32Å; M141-G178 VanDerWaalsContact CB-O 3.23Å; M141-G178 WeakPolarHBondContact CB-O 3.33Å; V142-G178 PolarHBondContact N-O 2.85Å; F176-G178 WeakPolarHBondContact CE2-O 3.14Å; G178-E219 CarbonylContact C-O 3.57Å; G178-E219 WeakPolarHBondContact CA-O 3.39Å
179L98.9Very high95.2Very high0 Ų047.2 Ų47.20%025%0.249CC..EExtended strand (participates in β ladder)trans-111.2152.1175.3-54.3-179.2000110.4V142 T160 V164 F176 L200 R203 R204 E219 L220 S221V142-L179 HydrophobicContact CB-CD2 3.94Å; V142-L179 HydrophobicContact CG1-CD2 4.49Å; V142-L179 CarbonylContact O-C 3.55Å; V142-L179 WeakPolarHBondContact O-CA 3.49Å; T160-L179 HydrophobicContact CG2-CD1 4.04Å; T160-L179 HydrophobicContact CG2-CD2 3.69Å; V164-L179 HydrophobicContact CG2-CD2 4.03Å; F176-L179 HydrophobicContact CE2-CD2 4.08Å; F176-L179 HydrophobicContact CZ-CD2 3.92Å; L179-L200 HydrophobicContact CB-CD1 3.78Å; L179-L200 HydrophobicContact CB-CD2 4.42Å; L179-L200 HydrophobicContact CB-CG 4.13Å; L179-L200 HydrophobicContact CD1-CD1 4.36Å; L179-R203 HydrophobicContact CD1-CB 3.88Å; L179-R204 HydrophobicContact CD1-CB 4.1Å; L179-E219 PolarHBondContact N-O 2.88Å; L179-L220 HydrophobicContact CB-CD2 3.99Å; L179-L220 WeakPolarHBondContact O-CA 3.48Å; L179-S221 PolarHBondContact O-N 2.81Å
180M98.7Very high95Very high2 Ų249.3 Ų49.31%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-131.3140178.6-171.8-83.6-94.300110E112 T113 M141 V142 Q143 V144 I182 S221E112-M180 HydrophobicContact CB-CB 4.41Å; E112-M180 HydrophobicContact CB-CE 4.39Å; E112-M180 HydrophobicContact CB-CG 4.15Å; E112-M180 WeakPolarHBondContact O-CB 3.46Å; E112-M180 WeakPolarHBondContact O-CE 3.32Å; T113-M180 HydrophobicContact CG2-CE 3.62Å; M141-M180 HydrophobicContact CB-CB 4.32Å; V142-M180 PolarHBondContact O-N 3.41Å; Q143-M180 CarbonylContact C-O 3.49Å; Q143-M180 WeakPolarHBondContact CA-O 3.48Å; Q143-M180 HydrophobicContact CB-CE 4.01Å; Q143-M180 HydrophobicContact CB-SD 4.49Å; Q143-M180 HydrophobicContact CG-CE 3.71Å; Q143-M180 HydrophobicContact CG-SD 4Å; V144-M180 PolarHBondContact N-O 3.37Å; M180-I182 HydrophobicContact SD-CG1 4.22Å; M180-S221 VanDerWaalsContact CA-O 3.3Å; M180-S221 WeakPolarHBondContact CA-O 3.47Å
181T98.3Very high94.7Very high2 Ų249.6 Ų49.61%0.01226%0.264CS..  trans-134.4147.6162.8-170.60000111.3V144 T146 G183 F197 L200 S221 M222 R240V144-T181 PolarHBondContact O-OG1 3.38Å; T146-T181 HydrophobicContact CG2-CG2 4.21Å; T146-T181 PolarHBondContact OG1-OG1 3.4Å; T181-G183 PolarHBondContact OG1-N 3.03Å; T181-F197 HydrophobicContact CG2-CD1 4.45Å; T181-L200 HydrophobicContact CG2-CB 4.35Å; T181-L200 HydrophobicContact CG2-CD2 3.85Å; T181-L200 HydrophobicContact CG2-CG 4.47Å; T181-S221 PolarHBondContact N-O 2.68Å; T181-M222 HydrophobicContact CG2-CB 3.89Å; T181-R240 PolarHBondContact O-NH1 3.32Å; T181-R240 PolarHBondContact O-NH2 2.89Å
182I95.3Very high94.5Very high61 Ų6150.8 Ų50.831%0.31328%0.276SS..  trans-80.5-34.1166.6-60.3176.4000110.2M180M180-I182 HydrophobicContact SD-CG1 4.22Å
183G93.6Very high94.3Very high3 Ų350.4 Ų50.43%0.03127%0.272CS..  trans68.9-178.6-174.500000114.4K152 T181K152-G183 PolarHBondContact NZ-O 3.13Å; T181-G183 PolarHBondContact OG1-N 3.03Å
184R91.3Very high94.3Very high89 Ų8949.9 Ų49.934%0.33627%0.268SS..  trans-74.9146.3168.577.7-166.262.7-157.7-8.3111.3D196R184-D196 WeakPolarHBondContact CB-OD2 3.37Å; R184-D196 WeakPolarHBondContact CD-OD2 3.29Å; R184-D196 WeakPolarHBondContact CG-OD2 3.3Å; R184-D196 IonicContact CZ-OD2 3.05Å; R184-D196 PolarHBondContact N-OD2 3.12Å; R184-D196 IonicContact NE-OD2 2.72Å; R184-D196 PolarHBondContact NE-OD2 3.08Å; R184-D196 IonicContact NH2-OD2 3.15Å
185Y87.6Confident94.2Very high192 Ų19252.2 Ų52.275%0.75328%0.282SS*.THydrogen-bonded Turntrans-78.3136.2176.1-178.5-98.5000109.6Y187Y185-Y187 PolarHBondContact O-N 3.48Å
186G84.3Confident94.2Very high54 Ų5448.7 Ų48.756%0.55727%0.266SS*.THydrogen-bonded Turntrans65.736.1168.400000114.9D188G186-D188 PolarHBondContact O-N 2.91Å
187Y90.8Very high94.1Very high51 Ų5148 Ų4820%0.226%0.263CS..  trans-61.6132.7170.9178.5-99.9000110.7Y185 L189 G192 N194 P195Y185-Y187 PolarHBondContact O-N 3.48Å; Y187-L189 HydrophobicContact CD1-CD2 3.95Å; Y187-L189 HydrophobicContact CE1-CD2 4.2Å; Y187-L189 PolarHBondContact O-N 3.28Å; Y187-G192 WeakPolarHBondContact CE1-O 3.3Å; Y187-N194 HydrophobicContact CD1-CB 3.72Å; Y187-N194 VanDerWaalsContact CE1-CA 3.41Å; Y187-N194 HydrophobicContact CE1-CB 4.09Å; Y187-N194 HydrophobicContact CG-CB 4.39Å; Y187-P195 HydrophobicContact CD2-CG 4.33Å; Y187-P195 HydrophobicContact CE2-CG 4Å; Y187-P195 VanDerWaalsContact CZ-CD 3.43Å
188D91.6Very high94.1Very high80 Ų8051.8 Ų51.843%0.42828%0.28SS..  trans-81.1108.8177.8-176.7-4.1000110.6G186 T190 L191G186-D188 PolarHBondContact O-N 2.91Å; D188-T190 PolarHBondContact O-N 3.26Å; D188-T190 VanDerWaalsContact OD1-CB 3.31Å; D188-T190 WeakPolarHBondContact OD1-CB 3.38Å; D188-T190 VanDerWaalsContact OD1-CG2 3.3Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.45Å; D188-T190 PolarHBondContact OD1-N 3.04Å; D188-T190 PolarHBondContact OD1-OG1 3.09Å; D188-T190 PolarHBondContact OD2-OG1 3.28Å; D188-L191 HydrophobicContact CB-CD1 4.07Å; D188-L191 HydrophobicContact CB-CG 4.12Å; D188-L191 WeakPolarHBondContact O-CB 3.34Å; D188-L191 PolarHBondContact O-N 3.1Å; D188-L191 VanDerWaalsContact O-N 3.1Å
189L90.8Very high94Very high71 Ų7155.2 Ų55.237%0.37230%0.297SS..G310 helixtrans-67.3-12.9179.8-64.6175.6000113.5Y187 L191 G192 N194 H230Y187-L189 HydrophobicContact CD1-CD2 3.95Å; Y187-L189 HydrophobicContact CE1-CD2 4.2Å; Y187-L189 PolarHBondContact O-N 3.28Å; L189-L191 PolarHBondContact O-N 3.45Å; L189-G192 PolarHBondContact O-N 3.21Å; L189-N194 HydrophobicContact CD2-CB 4.29Å; L189-H230 HydrophobicContact CD1-CB 3.74Å; L189-H230 HydrophobicContact CD2-CB 4.21Å; L189-H230 WeakPolarHBondContact CD2-CD2 3.31Å
190T92.1Very high94Very high118 Ų11855.2 Ų55.272%0.72430%0.297SS*.G310 helixtrans-68.6-20.2171.871.40000112.3D188 G192D188-T190 PolarHBondContact O-N 3.26Å; D188-T190 VanDerWaalsContact OD1-CB 3.31Å; D188-T190 WeakPolarHBondContact OD1-CB 3.38Å; D188-T190 VanDerWaalsContact OD1-CG2 3.3Å; D188-T190 WeakPolarHBondContact OD1-CG2 3.45Å; D188-T190 PolarHBondContact OD1-N 3.04Å; D188-T190 PolarHBondContact OD1-OG1 3.09Å; D188-T190 PolarHBondContact OD2-OG1 3.28Å; T190-G192 PolarHBondContact O-N 3Å
191L93.3Very high94Very high128 Ų12856.4 Ų56.467%0.6730%0.304SS*.G310 helixtrans-83.21.4176.3-55.9179000113.1D188 L189D188-L191 HydrophobicContact CB-CD1 4.07Å; D188-L191 HydrophobicContact CB-CG 4.12Å; D188-L191 WeakPolarHBondContact O-CB 3.34Å; D188-L191 PolarHBondContact O-N 3.1Å; D188-L191 VanDerWaalsContact O-N 3.1Å; L189-L191 PolarHBondContact O-N 3.45Å
192G92.9Very high93.9Very high27 Ų2758.7 Ų58.728%0.27832%0.319SS..SBendtrans114.4-165.3179.800000113.3Y187 L189 T190Y187-G192 WeakPolarHBondContact CE1-O 3.3Å; L189-G192 PolarHBondContact O-N 3.21Å; T190-G192 PolarHBondContact O-N 3Å
193P92.6Very high94.1Very high75 Ų7557.7 Ų57.749%0.48731%0.312SS..SBendtrans-65.8135.6179.4-20.232.4000111.8P195 Q198P193-P195 WeakPolarHBondContact O-CD 3.22Å; P193-P195 VanDerWaalsContact O-N 3.08Å; P193-Q198 HydrophobicContact CB-CG 4.23Å
194N96.2Very high94.3Very high1 Ų158 Ų581%0.00531%0.312CS..  trans-50.1116176-172.5-22.9000112.3Y187 L189 D196 F197 Q198 H230Y187-N194 HydrophobicContact CD1-CB 3.72Å; Y187-N194 VanDerWaalsContact CE1-CA 3.41Å; Y187-N194 HydrophobicContact CE1-CB 4.09Å; Y187-N194 HydrophobicContact CG-CB 4.39Å; L189-N194 HydrophobicContact CD2-CB 4.29Å; N194-D196 PolarHBondContact O-N 3.18Å; N194-D196 VanDerWaalsContact OD1-CB 3.31Å; N194-D196 WeakPolarHBondContact OD1-CB 3.38Å; N194-D196 PolarHBondContact OD1-N 3.17Å; N194-D196 PolarHBondContact OD1-OD2 3.45Å; N194-F197 HydrophobicContact CB-CB 4.47Å; N194-F197 HydrophobicContact CB-CD2 3.68Å; N194-F197 HydrophobicContact CB-CE2 4Å; N194-F197 HydrophobicContact CB-CG 4.04Å; N194-F197 PolarHBondContact O-N 3.34Å; N194-F197 VanDerWaalsContact O-N 3.08Å; N194-Q198 PolarHBondContact O-N 3.46Å; N194-H230 PolarHBondContact N-NE2 3.05Å
195P96.6Very high94.6Very high48 Ų4857.2 Ų57.231%0.31231%0.312SS..Hα-helixtrans-64.4-26.8-175.225.8-35.5000112.7Y187 P193 F197 Q198 M199Y187-P195 HydrophobicContact CD2-CG 4.33Å; Y187-P195 HydrophobicContact CE2-CG 4Å; Y187-P195 VanDerWaalsContact CZ-CD 3.43Å; P193-P195 WeakPolarHBondContact O-CD 3.22Å; P193-P195 VanDerWaalsContact O-N 3.08Å; P195-F197 VanDerWaalsContact C-N 3.33Å; P195-F197 PolarHBondContact O-N 3.1Å; P195-Q198 PolarHBondContact O-N 3.45Å; P195-M199 WeakPolarHBondContact O-CB 3.49Å; P195-M199 PolarHBondContact O-N 3.43Å
196D97.5Very high95.1Very high0 Ų051.4 Ų51.40%029%0.292CS..Hα-helixtrans-64.3-39175.2-72.1-72.7000112T146 S147 R184 N194 L200T146-D196 VanDerWaalsContact CB-OD1 3.32Å; T146-D196 WeakPolarHBondContact CB-OD1 3.2Å; T146-D196 VanDerWaalsContact O-OD1 3.04Å; T146-D196 VanDerWaalsContact OG1-CB 3.28Å; T146-D196 WeakPolarHBondContact OG1-CB 3.34Å; T146-D196 PolarHBondContact OG1-OD1 3.2Å; S147-D196 WeakPolarHBondContact CA-OD1 3.41Å; S147-D196 PolarHBondContact N-OD1 3.45Å; R184-D196 WeakPolarHBondContact CB-OD2 3.37Å; R184-D196 WeakPolarHBondContact CD-OD2 3.29Å; R184-D196 WeakPolarHBondContact CG-OD2 3.3Å; R184-D196 IonicContact CZ-OD2 3.05Å; R184-D196 PolarHBondContact N-OD2 3.12Å; R184-D196 IonicContact NE-OD2 2.72Å; R184-D196 PolarHBondContact NE-OD2 3.08Å; R184-D196 IonicContact NH2-OD2 3.15Å; N194-D196 PolarHBondContact O-N 3.18Å; N194-D196 VanDerWaalsContact OD1-CB 3.31Å; N194-D196 WeakPolarHBondContact OD1-CB 3.38Å; N194-D196 PolarHBondContact OD1-N 3.17Å; N194-D196 PolarHBondContact OD1-OD2 3.45Å; D196-L200 PolarHBondContact O-N 3.21Å; D196-L200 VanDerWaalsContact O-N 3.14Å
197F97.6Very high95.8Very high2 Ų248.8 Ų48.81%0.00927%0.265CS..Hα-helixtrans-72.5-38.9177.5-58.5-15.5000110.9T181 N194 P195 M199 L200 L201 M222 D227 H230 A231 V234T181-F197 HydrophobicContact CG2-CD1 4.45Å; N194-F197 HydrophobicContact CB-CB 4.47Å; N194-F197 HydrophobicContact CB-CD2 3.68Å; N194-F197 HydrophobicContact CB-CE2 4Å; N194-F197 HydrophobicContact CB-CG 4.04Å; N194-F197 PolarHBondContact O-N 3.34Å; N194-F197 VanDerWaalsContact O-N 3.08Å; P195-F197 VanDerWaalsContact C-N 3.33Å; P195-F197 PolarHBondContact O-N 3.1Å; F197-M199 VanDerWaalsContact C-N 3.33Å; F197-M199 PolarHBondContact O-N 2.91Å; F197-L200 PolarHBondContact O-N 3.22Å; F197-L201 WeakPolarHBondContact O-CD1 3.48Å; F197-L201 VanDerWaalsContact O-CG 3.28Å; F197-L201 WeakPolarHBondContact O-CG 3.47Å; F197-L201 PolarHBondContact O-N 2.89Å; F197-M222 HydrophobicContact CB-CE 4.18Å; F197-M222 HydrophobicContact CB-SD 3.7Å; F197-M222 HydrophobicContact CD1-CB 3.85Å; F197-M222 HydrophobicContact CD1-CG 3.99Å; F197-M222 HydrophobicContact CD1-SD 3.69Å; F197-M222 HydrophobicContact CE1-CB 3.86Å; F197-M222 HydrophobicContact CE1-CG 4.3Å; F197-M222 HydrophobicContact CG-CG 4.39Å; F197-M222 HydrophobicContact CG-SD 3.8Å; F197-D227 HydrophobicContact CE2-CB 4.48Å; F197-D227 HydrophobicContact CZ-CB 4.44Å; F197-D227 WeakPolarHBondContact CZ-OD2 3.47Å; F197-H230 AromaticContact CD2-CD2 3.73Å; F197-H230 AromaticContact CE2-CD2 3.84Å; F197-A231 HydrophobicContact CD2-CB 4.08Å; F197-A231 HydrophobicContact CE2-CB 3.55Å; F197-A231 HydrophobicContact CZ-CB 3.9Å; F197-V234 HydrophobicContact CB-CG2 3.86Å; F197-V234 HydrophobicContact CD2-CG2 3.94Å; F197-V234 HydrophobicContact CG-CG2 4.31Å
198Q97.1Very high96.2Very high84 Ų8446.9 Ų46.939%0.39326%0.259SS..Hα-helixtrans-61.4-42.1174.7-60.8-53.9-56.300111.8P193 N194 P195 L201 S202P193-Q198 HydrophobicContact CB-CG 4.23Å; N194-Q198 PolarHBondContact O-N 3.46Å; P195-Q198 PolarHBondContact O-N 3.45Å; Q198-L201 PolarHBondContact O-N 2.96Å; Q198-S202 PolarHBondContact O-N 3.08Å
199M98.1Very high96.5Very high71 Ų7149 Ų4935%0.3527%0.266SS..Hα-helixtrans-60.2-47.2174.7-176.962.372.300111.5T146 P157 P195 F197 L201 S202 R203T146-M199 HydrophobicContact CG2-CB 4.02Å; T146-M199 HydrophobicContact CG2-CG 3.89Å; P157-M199 HydrophobicContact CB-CG 4.41Å; P157-M199 HydrophobicContact CB-SD 4.16Å; P157-M199 HydrophobicContact CG-CG 4.36Å; P157-M199 HydrophobicContact CG-SD 4.49Å; P195-M199 WeakPolarHBondContact O-CB 3.49Å; P195-M199 PolarHBondContact O-N 3.43Å; F197-M199 VanDerWaalsContact C-N 3.33Å; F197-M199 PolarHBondContact O-N 2.91Å; M199-L201 VanDerWaalsContact C-N 3.34Å; M199-L201 PolarHBondContact O-N 2.86Å; M199-S202 WeakPolarHBondContact O-CB 3.48Å; M199-S202 PolarHBondContact O-N 2.93Å; M199-R203 WeakPolarHBondContact O-CG 3.37Å; M199-R203 PolarHBondContact O-N 3.11Å
200L98.4Very high96.8Very high0 Ų048.2 Ų48.20%028%0.276CS..Hα-helixtrans-64.4-38.3179.8-160.571.1000112.3V144 T146 L179 T181 D196 F197 R203 R204 L220 M222V144-L200 HydrophobicContact CB-CD1 3.96Å; V144-L200 HydrophobicContact CG2-CD1 3.97Å; T146-L200 HydrophobicContact CG2-CB 4.32Å; T146-L200 HydrophobicContact CG2-CD1 4.28Å; L179-L200 HydrophobicContact CB-CD1 3.78Å; L179-L200 HydrophobicContact CB-CD2 4.42Å; L179-L200 HydrophobicContact CB-CG 4.13Å; L179-L200 HydrophobicContact CD1-CD1 4.36Å; T181-L200 HydrophobicContact CG2-CB 4.35Å; T181-L200 HydrophobicContact CG2-CD2 3.85Å; T181-L200 HydrophobicContact CG2-CG 4.47Å; D196-L200 PolarHBondContact O-N 3.21Å; D196-L200 VanDerWaalsContact O-N 3.14Å; F197-L200 PolarHBondContact O-N 3.22Å; L200-R203 PolarHBondContact O-N 3.2Å; L200-R204 PolarHBondContact O-N 3.07Å; L200-L220 HydrophobicContact CD2-CB 4.5Å; L200-L220 HydrophobicContact CD2-CD2 3.84Å; L200-L220 HydrophobicContact CG-CD2 3.86Å; L200-M222 HydrophobicContact CB-SD 4.2Å; L200-M222 HydrophobicContact CD2-CB 4.14Å; L200-M222 HydrophobicContact CD2-CG 4.33Å; L200-M222 HydrophobicContact CD2-SD 3.76Å
201L97.6Very high97.1Very high28 Ų2844.6 Ų44.615%0.14725%0.252CS..Hα-helixtrans-61-45.8173.6-73.1159.6000111.4F197 Q198 M199 R203 R204 Q205 L220 M222 V234F197-L201 WeakPolarHBondContact O-CD1 3.48Å; F197-L201 VanDerWaalsContact O-CG 3.28Å; F197-L201 WeakPolarHBondContact O-CG 3.47Å; F197-L201 PolarHBondContact O-N 2.89Å; Q198-L201 PolarHBondContact O-N 2.96Å; M199-L201 VanDerWaalsContact C-N 3.34Å; M199-L201 PolarHBondContact O-N 2.86Å; L201-R203 PolarHBondContact O-N 2.86Å; L201-R204 WeakPolarHBondContact O-CB 3.13Å; L201-R204 PolarHBondContact O-N 3.35Å; L201-Q205 PolarHBondContact O-N 2.94Å; L201-L220 HydrophobicContact CD2-CD1 3.43Å; L201-L220 VanDerWaalsContact CD2-CD1 3.43Å; L201-L220 HydrophobicContact CG-CD1 4.1Å; L201-M222 HydrophobicContact CD2-CE 4.43Å; L201-M222 HydrophobicContact CG-CE 4.28Å; L201-V234 HydrophobicContact CD1-CB 4.25Å; L201-V234 HydrophobicContact CD1-CG2 4.36Å; L201-V234 VanDerWaalsContact CD1-O 3.29Å; L201-V234 WeakPolarHBondContact CD1-O 3.48Å; L201-V234 WeakPolarHBondContact CD2-O 3.26Å
202S97.9Very high97.3Very high49 Ų4947.6 Ų47.634%0.34326%0.259SS..Hα-helixtrans-60.1-44.4174.8167.40000111.6Q198 M199 R204 Q205 E206Q198-S202 PolarHBondContact O-N 3.08Å; M199-S202 WeakPolarHBondContact O-CB 3.48Å; M199-S202 PolarHBondContact O-N 2.93Å; S202-R204 VanDerWaalsContact C-N 3.33Å; S202-R204 PolarHBondContact O-N 3.05Å; S202-Q205 WeakPolarHBondContact O-CB 3.38Å; S202-Q205 PolarHBondContact O-N 2.8Å; S202-E206 PolarHBondContact O-N 3.08Å; S202-E206 VanDerWaalsContact O-N 3.1Å
203R98.5Very high97.4Very high40 Ų4048.3 Ų48.315%0.15126%0.257CS..Hα-helixtrans-63.9-37.3176.4-66.5-47.289.1175.65.2112.4P157 T160 L179 M199 L200 L201 E206 V207P157-R203 HydrophobicContact CB-CG 4.34Å; P157-R203 VanDerWaalsContact O-CD 3.3Å; P157-R203 WeakPolarHBondContact O-CD 3.25Å; T160-R203 HydrophobicContact CG2-CB 4.16Å; L179-R203 HydrophobicContact CD1-CB 3.88Å; M199-R203 WeakPolarHBondContact O-CG 3.37Å; M199-R203 PolarHBondContact O-N 3.11Å; L200-R203 PolarHBondContact O-N 3.2Å; L201-R203 PolarHBondContact O-N 2.86Å; R203-E206 IonicContact CZ-OE1 2.81Å; R203-E206 IonicContact CZ-OE2 2.64Å; R203-E206 IonicContact NE-OE1 2.87Å; R203-E206 IonicContact NE-OE2 3.88Å; R203-E206 IonicContact NH1-OE1 2.94Å; R203-E206 PolarHBondContact NH1-OE1 3.03Å; R203-E206 VanDerWaalsContact NH1-OE1 3.07Å; R203-E206 IonicContact NH1-OE2 3.77Å; R203-E206 PolarHBondContact NH1-OE2 2.7Å; R203-E206 VanDerWaalsContact NH2-CD 3.3Å; R203-E206 IonicContact NH2-OE1 2.83Å; R203-E206 PolarHBondContact NH2-OE1 3.01Å; R203-E206 IonicContact NH2-OE2 3.07Å; R203-E206 PolarHBondContact O-N 3.28Å; R203-V207 WeakPolarHBondContact O-CB 3.45Å; R203-V207 VanDerWaalsContact O-CG2 3.27Å; R203-V207 WeakPolarHBondContact O-CG2 3.29Å; R203-V207 PolarHBondContact O-N 3.43Å
204R98.2Very high97.5Very high9 Ų947.4 Ų47.43%0.03425%0.251CS..Hα-helixtrans-60.8-45.8172.9179.8177.567.7173.21.3110.9L179 L200 L201 S202 E206 V207 C208 V218 L220L179-R204 HydrophobicContact CD1-CB 4.1Å; L200-R204 PolarHBondContact O-N 3.07Å; L201-R204 WeakPolarHBondContact O-CB 3.13Å; L201-R204 PolarHBondContact O-N 3.35Å; S202-R204 VanDerWaalsContact C-N 3.33Å; S202-R204 PolarHBondContact O-N 3.05Å; R204-E206 VanDerWaalsContact C-N 3.35Å; R204-E206 PolarHBondContact O-N 2.91Å; R204-V207 PolarHBondContact O-N 2.94Å; R204-C208 WeakPolarHBondContact O-CB 3.47Å; R204-C208 PolarHBondContact O-N 3.37Å; R204-C208 PolarHBondContact O-SG 3.37Å; R204-V218 WeakPolarHBondContact CD-O 3.45Å; R204-V218 HydrophobicContact CG-CB 4Å; R204-V218 HydrophobicContact CG-CG1 3.74Å; R204-L220 HydrophobicContact CB-CD2 3.94Å; R204-L220 HydrophobicContact CG-CD2 4.4Å
205Q97.9Very high97.4Very high74 Ų7449.6 Ų49.635%0.34626%0.262SS..Hα-helixtrans-55.4-51.9178.4-173.865.127.600111L201 S202 V207 C208 E209L201-Q205 PolarHBondContact O-N 2.94Å; S202-Q205 WeakPolarHBondContact O-CB 3.38Å; S202-Q205 PolarHBondContact O-N 2.8Å; Q205-V207 VanDerWaalsContact C-N 3.33Å; Q205-V207 PolarHBondContact O-N 3.35Å; Q205-C208 PolarHBondContact O-N 2.66Å; Q205-E209 HydrophobicContact CG-CG 4.43Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.43Å; Q205-E209 PolarHBondContact NE2-OE1 3.45Å; Q205-E209 WeakPolarHBondContact O-CB 3.45Å; Q205-E209 WeakPolarHBondContact O-CG 3.47Å; Q205-E209 PolarHBondContact O-N 3.17Å
206E98.4Very high97.2Very high69 Ų6953 Ų5332%0.32227%0.273SS..Hα-helixtrans-63.3-37.9-179.5-68.3178.7-178.800113V161 S202 R203 R204 G210V161-E206 HydrophobicContact CG2-CB 3.85Å; S202-E206 PolarHBondContact O-N 3.08Å; S202-E206 VanDerWaalsContact O-N 3.1Å; R203-E206 IonicContact CZ-OE1 2.81Å; R203-E206 IonicContact CZ-OE2 2.64Å; R203-E206 IonicContact NE-OE1 2.87Å; R203-E206 IonicContact NE-OE2 3.88Å; R203-E206 IonicContact NH1-OE1 2.94Å; R203-E206 PolarHBondContact NH1-OE1 3.03Å; R203-E206 VanDerWaalsContact NH1-OE1 3.07Å; R203-E206 IonicContact NH1-OE2 3.77Å; R203-E206 PolarHBondContact NH1-OE2 2.7Å; R203-E206 VanDerWaalsContact NH2-CD 3.3Å; R203-E206 IonicContact NH2-OE1 2.83Å; R203-E206 PolarHBondContact NH2-OE1 3.01Å; R203-E206 IonicContact NH2-OE2 3.07Å; R203-E206 PolarHBondContact O-N 3.28Å; R204-E206 VanDerWaalsContact C-N 3.35Å; R204-E206 PolarHBondContact O-N 2.91Å; E206-G210 WeakPolarHBondContact O-CA 3.28Å; E206-G210 PolarHBondContact O-N 2.79Å
207V98.6Very high97.1Very high0 Ų059.1 Ų59.10%030%0.302CS..Hα-helixtrans-62.4-48.1173.7164.40000110.6T160 V161 V164 F176 R203 R204 Q205 L211 L213T160-V207 HydrophobicContact CG2-CG2 3.96Å; V161-V207 HydrophobicContact CG2-CG2 4.04Å; V164-V207 HydrophobicContact CB-CG1 4.26Å; V164-V207 HydrophobicContact CB-CG2 4.33Å; V164-V207 HydrophobicContact CG1-CG1 3.8Å; V164-V207 HydrophobicContact CG2-CG1 4.29Å; V164-V207 HydrophobicContact CG2-CG2 3.97Å; F176-V207 HydrophobicContact CE1-CG1 4.11Å; F176-V207 HydrophobicContact CZ-CG1 4.25Å; R203-V207 WeakPolarHBondContact O-CB 3.45Å; R203-V207 VanDerWaalsContact O-CG2 3.27Å; R203-V207 WeakPolarHBondContact O-CG2 3.29Å; R203-V207 PolarHBondContact O-N 3.43Å; R204-V207 PolarHBondContact O-N 2.94Å; Q205-V207 VanDerWaalsContact C-N 3.33Å; Q205-V207 PolarHBondContact O-N 3.35Å; V207-L211 HydrophobicContact CG1-CD1 4.38Å; V207-L211 WeakPolarHBondContact O-CB 3.42Å; V207-L211 PolarHBondContact O-N 3.06Å; V207-L213 HydrophobicContact CG1-CD1 4.11Å
208C98Very high97.1Very high10 Ų1059.1 Ų59.17%0.06830%0.302CS..Hα-helixtrans-63.1-45.5-179.9-68.40000111.7R204 Q205 K212 L213 V218R204-C208 WeakPolarHBondContact O-CB 3.47Å; R204-C208 PolarHBondContact O-N 3.37Å; R204-C208 PolarHBondContact O-SG 3.37Å; Q205-C208 PolarHBondContact O-N 2.66Å; C208-K212 CarbonylContact O-C 3.56Å; C208-K212 WeakPolarHBondContact O-CA 3.31Å; C208-K212 PolarHBondContact O-N 3.21Å; C208-L213 WeakPolarHBondContact CB-O 3.41Å; C208-L213 PolarHBondContact O-N 3.48Å; C208-V218 VanDerWaalsContact SG-CG2 3.54Å
209E97.8Very high97.1Very high124 Ų12457 Ų5758%0.57929%0.292SS*.Hα-helixtrans-66.6-50.5177.9-71.7175.717600111.8Q205 L211 K212Q205-E209 HydrophobicContact CG-CG 4.43Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.43Å; Q205-E209 PolarHBondContact NE2-OE1 3.45Å; Q205-E209 WeakPolarHBondContact O-CB 3.45Å; Q205-E209 WeakPolarHBondContact O-CG 3.47Å; Q205-E209 PolarHBondContact O-N 3.17Å; E209-L211 VanDerWaalsContact C-N 3.28Å; E209-L211 PolarHBondContact O-N 2.95Å; E209-K212 PolarHBondContact O-N 3.38Å
210G97.6Very high97.1Very high56 Ų5653.6 Ų53.658%0.57728%0.275SS*.Hα-helixtrans-66.5-28.2-175.200000113.7E206E206-G210 WeakPolarHBondContact O-CA 3.28Å; E206-G210 PolarHBondContact O-N 2.79Å
211L97.6Very high97.2Very high41 Ų4153.6 Ų53.622%0.21528%0.275CS..Hα-helixtrans-112.61.9-179.2-57.1-179.1000113.9V164 K165 V207 E209 L213V164-L211 HydrophobicContact CB-CD1 4.07Å; V164-L211 HydrophobicContact CG1-CD1 3.55Å; K165-L211 HydrophobicContact CB-CD1 4.33Å; K165-L211 HydrophobicContact CB-CD2 3.86Å; K165-L211 HydrophobicContact CD-CD2 4.3Å; K165-L211 HydrophobicContact CG-CD2 3.87Å; V207-L211 HydrophobicContact CG1-CD1 4.38Å; V207-L211 WeakPolarHBondContact O-CB 3.42Å; V207-L211 PolarHBondContact O-N 3.06Å; E209-L211 VanDerWaalsContact C-N 3.28Å; E209-L211 PolarHBondContact O-N 2.95Å; L211-L213 VanDerWaalsContact C-N 3.26Å; L211-L213 HydrophobicContact CB-CD1 4.05Å; L211-L213 HydrophobicContact CB-CG 3.88Å; L211-L213 HydrophobicContact CD1-CD1 4.26Å; L211-L213 PolarHBondContact O-N 2.72Å
212K97.6Very high97.2Very high191 Ų19152.2 Ų52.283%0.8327%0.268SS*.THydrogen-bonded Turntrans54.341.3-176.9-54.4-179.9-179-178.90112.7C208 E209C208-K212 CarbonylContact O-C 3.56Å; C208-K212 WeakPolarHBondContact O-CA 3.31Å; C208-K212 PolarHBondContact O-N 3.21Å; E209-K212 PolarHBondContact O-N 3.38Å
213L96.4Very high97.2Very high43 Ų4350 Ų5023%0.22525%0.253CS..  trans-89.8137.2176.8-60173.8000110F176 V207 C208 L211 M215 V218F176-L213 HydrophobicContact CD1-CD1 4.14Å; F176-L213 HydrophobicContact CE1-CD1 4.09Å; V207-L213 HydrophobicContact CG1-CD1 4.11Å; C208-L213 WeakPolarHBondContact CB-O 3.41Å; C208-L213 PolarHBondContact O-N 3.48Å; L211-L213 VanDerWaalsContact C-N 3.26Å; L211-L213 HydrophobicContact CB-CD1 4.05Å; L211-L213 HydrophobicContact CB-CG 3.88Å; L211-L213 HydrophobicContact CD1-CD1 4.26Å; L211-L213 PolarHBondContact O-N 2.72Å; L213-M215 PolarHBondContact O-N 3.08Å; L213-V218 HydrophobicContact CB-CG2 4.05Å; L213-V218 HydrophobicContact CD1-CG2 4.24Å
214P95Very high97.1Very high56 Ų5650.5 Ų50.536%0.36426%0.258SS..  trans-59.9134.6171.6-21.133.3000110.6E216 E217P214-E216 PolarHBondContact O-N 3.5Å; P214-E217 HydrophobicContact CB-CB 4.41Å; P214-E217 HydrophobicContact CB-CG 4.08Å; P214-E217 HydrophobicContact CG-CG 4.28Å; P214-E217 PolarHBondContact O-N 2.92Å; P214-E217 VanDerWaalsContact O-N 3.07Å
215M93.4Very high96.9Very high47 Ų4751 Ų5123%0.23226%0.262CS..G310 helixtrans-63.4-31.4-176.9-173.6179.7-68.700112.2P33 L213 E217 V218P33-M215 HydrophobicContact CG-CB 4.45Å; P33-M215 HydrophobicContact CG-CG 4Å; P33-M215 HydrophobicContact CG-SD 3.94Å; L213-M215 PolarHBondContact O-N 3.08Å; M215-E217 PolarHBondContact O-N 3.43Å; M215-V218 PolarHBondContact O-N 3.37Å
216E92.4Very high96.7Very high119 Ų11952 Ų5256%0.55627%0.273SS*.G310 helixtrans-64.1-25.4177.9-60.664.5-144.700112.3P33 P214P33-E216 HydrophobicContact CB-CG 4.15Å; P214-E216 PolarHBondContact O-N 3.5Å
217E94.1Very high96.6Very high128 Ų12849.4 Ų49.460%0.59826%0.262SS*.G310 helixtrans-89.7-13.2-179.9-67-176.2-167.300113P214 M215P214-E217 HydrophobicContact CB-CB 4.41Å; P214-E217 HydrophobicContact CB-CG 4.08Å; P214-E217 HydrophobicContact CG-CG 4.28Å; P214-E217 PolarHBondContact O-N 2.92Å; P214-E217 VanDerWaalsContact O-N 3.07Å; M215-E217 PolarHBondContact O-N 3.43Å
218V97.6Very high96.5Very high3 Ų349.4 Ų49.42%0.01826%0.262CS..SBendtrans-99.894179.1-171.20000109.9F176 R204 C208 L213 M215F176-V218 HydrophobicContact CE1-CG1 3.91Å; F176-V218 HydrophobicContact CE1-CG2 4.14Å; F176-V218 HydrophobicContact CZ-CG1 4.01Å; R204-V218 WeakPolarHBondContact CD-O 3.45Å; R204-V218 HydrophobicContact CG-CB 4Å; R204-V218 HydrophobicContact CG-CG1 3.74Å; C208-V218 VanDerWaalsContact SG-CG2 3.54Å; L213-V218 HydrophobicContact CB-CG2 4.05Å; L213-V218 HydrophobicContact CD1-CG2 4.24Å; M215-V218 PolarHBondContact O-N 3.37Å
219E98.3Very high96.5Very high38 Ų3851.1 Ų51.118%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-63.9152.6178.6-67.1-175.3-173.700111.8R38 M141 S177 G178 L179 T237 N238R38-E219 IonicContact CZ-OE1 3.52Å; R38-E219 IonicContact CZ-OE2 3.71Å; R38-E219 IonicContact NH1-OE1 3.55Å; R38-E219 IonicContact NH1-OE2 3.62Å; R38-E219 PolarHBondContact NH1-OE2 3.39Å; R38-E219 IonicContact NH2-OE1 2.61Å; R38-E219 PolarHBondContact NH2-OE1 3.4Å; R38-E219 IonicContact NH2-OE2 3.34Å; R38-E219 PolarHBondContact NH2-OE2 3.07Å; M141-E219 HydrophobicContact CE-CB 3.63Å; M141-E219 HydrophobicContact CE-CG 4.45Å; M141-E219 WeakPolarHBondContact CE-OE2 3.15Å; S177-E219 WeakPolarHBondContact O-CB 3.39Å; S177-E219 PolarHBondContact O-N 2.97Å; G178-E219 CarbonylContact C-O 3.57Å; G178-E219 WeakPolarHBondContact CA-O 3.39Å; L179-E219 PolarHBondContact N-O 2.88Å; E219-T237 WeakPolarHBondContact CA-OG1 3.35Å; E219-T237 WeakPolarHBondContact CB-OG1 3.37Å; E219-N238 PolarHBondContact OE2-ND2 3.16Å
220L98.6Very high96.4Very high0 Ų046.7 Ų46.70%025%0.248CC..EExtended strand (participates in β ladder)trans-121.9114.4172.7-68.5-179.3000109.8L179 L200 L201 R204 M222 T237 N238L179-L220 HydrophobicContact CB-CD2 3.99Å; L179-L220 WeakPolarHBondContact O-CA 3.48Å; L200-L220 HydrophobicContact CD2-CB 4.5Å; L200-L220 HydrophobicContact CD2-CD2 3.84Å; L200-L220 HydrophobicContact CG-CD2 3.86Å; L201-L220 HydrophobicContact CD2-CD1 3.43Å; L201-L220 VanDerWaalsContact CD2-CD1 3.43Å; L201-L220 HydrophobicContact CG-CD1 4.1Å; R204-L220 HydrophobicContact CB-CD2 3.94Å; R204-L220 HydrophobicContact CG-CD2 4.4Å; L220-M222 HydrophobicContact CB-CE 4.19Å; L220-M222 HydrophobicContact CD1-CE 3.81Å; L220-T237 PolarHBondContact N-OG1 2.82Å; L220-T237 PolarHBondContact O-N 2.72Å; L220-T237 PolarHBondContact O-OG1 2.99Å; L220-N238 PolarHBondContact O-N 3.18Å
221S98.7Very high96.4Very high0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-97.4100.3173.1-173.90000110.4E112 M141 L179 M180 T181 N238 R240E112-S221 VanDerWaalsContact OE2-CB 3.23Å; E112-S221 WeakPolarHBondContact OE2-CB 3.3Å; E112-S221 PolarHBondContact OE2-OG 3.06Å; M141-S221 VanDerWaalsContact SD-CB 3.55Å; L179-S221 PolarHBondContact O-N 2.81Å; M180-S221 VanDerWaalsContact CA-O 3.3Å; M180-S221 WeakPolarHBondContact CA-O 3.47Å; T181-S221 PolarHBondContact N-O 2.68Å; S221-N238 WeakPolarHBondContact CA-O 3.36Å; S221-R240 PolarHBondContact O-NH1 2.85Å; S221-R240 PolarHBondContact OG-NH1 3Å
222M98.1Very high96.4Very high0 Ų042 Ų420%021%0.21CC..  trans-157.8155.2-179.662.4-173.6178.600109.9T181 F197 L200 L201 L220 A231 V234 A236 N238T181-M222 HydrophobicContact CG2-CB 3.89Å; F197-M222 HydrophobicContact CB-CE 4.18Å; F197-M222 HydrophobicContact CB-SD 3.7Å; F197-M222 HydrophobicContact CD1-CB 3.85Å; F197-M222 HydrophobicContact CD1-CG 3.99Å; F197-M222 HydrophobicContact CD1-SD 3.69Å; F197-M222 HydrophobicContact CE1-CB 3.86Å; F197-M222 HydrophobicContact CE1-CG 4.3Å; F197-M222 HydrophobicContact CG-CG 4.39Å; F197-M222 HydrophobicContact CG-SD 3.8Å; L200-M222 HydrophobicContact CB-SD 4.2Å; L200-M222 HydrophobicContact CD2-CB 4.14Å; L200-M222 HydrophobicContact CD2-CG 4.33Å; L200-M222 HydrophobicContact CD2-SD 3.76Å; L201-M222 HydrophobicContact CD2-CE 4.43Å; L201-M222 HydrophobicContact CG-CE 4.28Å; L220-M222 HydrophobicContact CB-CE 4.19Å; L220-M222 HydrophobicContact CD1-CE 3.81Å; M222-A231 HydrophobicContact CG-CB 4.4Å; M222-A231 WeakPolarHBondContact O-CB 3.46Å; M222-V234 HydrophobicContact CE-CG2 4.09Å; M222-A236 HydrophobicContact CE-CB 4Å; M222-A236 HydrophobicContact CG-CB 3.68Å; M222-A236 WeakPolarHBondContact O-CB 3.44Å; M222-N238 PolarHBondContact N-O 3.4Å; M222-N238 VanDerWaalsContact N-O 3.11Å; M222-N238 VanDerWaalsContact O-O 3.1Å
223G97.4Very high96.3Very high2 Ų235.5 Ų35.52%0.02118%0.183CC..  trans92.9129.8-172.800000112.8D227 A231 R240G223-D227 WeakPolarHBondContact CA-OD1 3.38Å; G223-A231 VanDerWaalsContact CA-CB 3.49Å; G223-R240 PolarHBondContact O-N 3.43Å
224M96.3Very high96.3Very high51 Ų5134.6 Ų34.625%0.25118%0.179SC..  trans-125.2-172.4178.5-63.2-176.9-70.300109.8T226 D227 F228 R240M224-T226 PolarHBondContact O-N 3.46Å; M224-D227 PolarHBondContact N-OD1 3.07Å; M224-D227 PolarHBondContact O-N 2.87Å; M224-F228 VanDerWaalsContact O-CB 3.26Å; M224-F228 WeakPolarHBondContact O-CB 3.17Å; M224-F228 PolarHBondContact O-N 3.3Å; M224-R240 VanDerWaalsContact CA-O 3.31Å; M224-R240 WeakPolarHBondContact CA-O 3.35Å
225S95.1Very high96.3Very high18 Ų1832.1 Ų32.113%0.12616%0.163CC..THydrogen-bonded Turntrans-46.3-36.8-176-61.30000115.1G242 S243 I244S225-G242 PolarHBondContact OG-N 3.24Å; S225-S243 VanDerWaalsContact CB-OG 3.23Å; S225-S243 WeakPolarHBondContact CB-OG 3.2Å; S225-S243 PolarHBondContact OG-N 2.75Å; S225-S243 PolarHBondContact OG-OG 2.83Å; S225-I244 WeakPolarHBondContact O-CD1 3.23Å
226T93.8Very high96.5Very high95 Ų9529.9 Ų29.958%0.58315%0.152SC*.THydrogen-bonded Turntrans-85.3-19.8-174.350.60000114.4M224M224-T226 PolarHBondContact O-N 3.46Å
227D95.3Very high96.8Very high15 Ų1524.6 Ų24.68%0.0813%0.128CC..THydrogen-bonded Turntrans-143.89.2-166.459.92.9000114.1F197 G223 M224 E229 H230 A231F197-D227 HydrophobicContact CE2-CB 4.48Å; F197-D227 HydrophobicContact CZ-CB 4.44Å; F197-D227 WeakPolarHBondContact CZ-OD2 3.47Å; G223-D227 WeakPolarHBondContact CA-OD1 3.38Å; M224-D227 PolarHBondContact N-OD1 3.07Å; M224-D227 PolarHBondContact O-N 2.87Å; D227-E229 VanDerWaalsContact C-N 3.31Å; D227-E229 PolarHBondContact O-N 3.02Å; D227-H230 PolarHBondContact O-N 2.94Å; D227-A231 WeakPolarHBondContact O-CB 3.35Å; D227-A231 PolarHBondContact O-N 3.25Å
228F97.3Very high97Very high1 Ų118.5 Ų18.50%0.00410%0.1CC..Hα-helixtrans-63-32.9-176.675.2-88.1000114V17 R20 V21 M224 A231 I232 V239 V241 I244V17-F228 HydrophobicContact CG1-CE2 4.43Å; V17-F228 HydrophobicContact CG1-CZ 4.28Å; R20-F228 HydrophobicContact CB-CE2 3.99Å; R20-F228 HydrophobicContact CB-CZ 3.79Å; V21-F228 HydrophobicContact CG2-CD2 4.02Å; V21-F228 HydrophobicContact CG2-CE2 3.79Å; M224-F228 VanDerWaalsContact O-CB 3.26Å; M224-F228 WeakPolarHBondContact O-CB 3.17Å; M224-F228 PolarHBondContact O-N 3.3Å; F228-A231 WeakPolarHBondContact O-CB 3.28Å; F228-A231 PolarHBondContact O-N 3.01Å; F228-I232 HydrophobicContact CD2-CD1 4.04Å; F228-I232 VanDerWaalsContact O-CG1 3.29Å; F228-I232 WeakPolarHBondContact O-CG1 3.46Å; F228-I232 PolarHBondContact O-N 3.29Å; F228-V239 HydrophobicContact CB-CB 3.83Å; F228-V239 HydrophobicContact CB-CG1 3.85Å; F228-V239 HydrophobicContact CB-CG2 4.36Å; F228-V239 HydrophobicContact CD2-CG2 4.38Å; F228-V241 HydrophobicContact CB-CG2 4.17Å; F228-V241 HydrophobicContact CD1-CG2 3.97Å; F228-V241 HydrophobicContact CD2-CG2 4.44Å; F228-V241 HydrophobicContact CE1-CG2 4.48Å; F228-V241 HydrophobicContact CG-CG2 3.93Å; F228-I244 HydrophobicContact CE1-CD1 3.95Å
229E97.3Very high97.1Very high45 Ų4518.4 Ų18.421%0.2110%0.099CC..Hα-helixtrans-64.8-49.5177.1-68-176.8-135.300110.5R20 A24 R27 D227 A231 I232 E233R20-E229 IonicContact CZ-OE1 3.63Å; R20-E229 IonicContact NE-OE1 3.73Å; R20-E229 PolarHBondContact NE-OE1 3.28Å; R20-E229 IonicContact NH2-OE1 3.23Å; R20-E229 PolarHBondContact NH2-OE1 3.35Å; A24-E229 HydrophobicContact CB-CB 4.02Å; A24-E229 HydrophobicContact CB-CG 4.19Å; R27-E229 IonicContact NH2-OE2 2.92Å; R27-E229 PolarHBondContact NH2-OE2 2.97Å; D227-E229 VanDerWaalsContact C-N 3.31Å; D227-E229 PolarHBondContact O-N 3.02Å; E229-A231 VanDerWaalsContact C-N 3.3Å; E229-A231 PolarHBondContact O-N 3.05Å; E229-I232 WeakPolarHBondContact O-CB 3.3Å; E229-I232 PolarHBondContact O-N 3.4Å; E229-I232 VanDerWaalsContact O-N 3.16Å; E229-E233 WeakPolarHBondContact O-CG 3.35Å; E229-E233 PolarHBondContact O-N 2.95Å
230H96.3Very high97.1Very high31 Ų3117.2 Ų17.214%0.1449%0.093CC..Hα-helixtrans-58.7-43.2173.3179.463.7000111.5L189 N194 F197 D227 I232 E233 V234L189-H230 HydrophobicContact CD1-CB 3.74Å; L189-H230 HydrophobicContact CD2-CB 4.21Å; L189-H230 WeakPolarHBondContact CD2-CD2 3.31Å; N194-H230 PolarHBondContact N-NE2 3.05Å; F197-H230 AromaticContact CD2-CD2 3.73Å; F197-H230 AromaticContact CE2-CD2 3.84Å; D227-H230 PolarHBondContact O-N 2.94Å; H230-I232 VanDerWaalsContact C-N 3.3Å; H230-I232 PolarHBondContact O-N 3.23Å; H230-E233 PolarHBondContact O-N 3.14Å; H230-V234 VanDerWaalsContact CE1-CG1 3.46Å; H230-V234 WeakPolarHBondContact CE1-CG1 3.38Å; H230-V234 WeakPolarHBondContact O-CG2 3.25Å; H230-V234 PolarHBondContact O-N 3.41Å
231A97.4Very high97.1Very high0 Ų017.2 Ų17.20%09%0.093CC..Hα-helixtrans-57-43.9176.600000111.8F197 M222 G223 D227 F228 E229 V234 G235 A236 V239F197-A231 HydrophobicContact CD2-CB 4.08Å; F197-A231 HydrophobicContact CE2-CB 3.55Å; F197-A231 HydrophobicContact CZ-CB 3.9Å; M222-A231 HydrophobicContact CG-CB 4.4Å; M222-A231 WeakPolarHBondContact O-CB 3.46Å; G223-A231 VanDerWaalsContact CA-CB 3.49Å; D227-A231 WeakPolarHBondContact O-CB 3.35Å; D227-A231 PolarHBondContact O-N 3.25Å; F228-A231 WeakPolarHBondContact O-CB 3.28Å; F228-A231 PolarHBondContact O-N 3.01Å; E229-A231 VanDerWaalsContact C-N 3.3Å; E229-A231 PolarHBondContact O-N 3.05Å; A231-V234 WeakPolarHBondContact O-CG2 2.97Å; A231-V234 PolarHBondContact O-N 3.22Å; A231-G235 PolarHBondContact O-N 3.24Å; A231-G235 VanDerWaalsContact O-N 3.11Å; A231-A236 VanDerWaalsContact C-CB 3.44Å; A231-A236 HydrophobicContact CB-CB 3.85Å; A231-A236 WeakPolarHBondContact O-CB 3.42Å; A231-A236 PolarHBondContact O-N 3.37Å; A231-V239 HydrophobicContact CB-CG1 4.47Å
232I97.7Very high97Very high0 Ų017.8 Ų17.80%010%0.099CC..Hα-helixtrans-63.5-45.3176.5-72.8162.9000111.1V21 A24 A25 R28 P37 F228 E229 H230 V234 G235 V239V21-I232 HydrophobicContact CB-CD1 4.16Å; V21-I232 HydrophobicContact CG1-CD1 3.95Å; V21-I232 HydrophobicContact CG2-CD1 3.96Å; A24-I232 HydrophobicContact CB-CB 3.9Å; A24-I232 HydrophobicContact CB-CD1 4.07Å; A24-I232 HydrophobicContact CB-CG2 3.74Å; A25-I232 HydrophobicContact CB-CG2 4.19Å; R28-I232 PolarHBondContact NE-O 3.37Å; R28-I232 PolarHBondContact NH2-O 2.92Å; P37-I232 HydrophobicContact CB-CD1 4.18Å; P37-I232 HydrophobicContact CB-CG1 3.99Å; P37-I232 HydrophobicContact CG-CB 4.5Å; P37-I232 HydrophobicContact CG-CD1 4.34Å; P37-I232 HydrophobicContact CG-CG1 4.04Å; P37-I232 HydrophobicContact CG-CG2 3.7Å; F228-I232 HydrophobicContact CD2-CD1 4.04Å; F228-I232 VanDerWaalsContact O-CG1 3.29Å; F228-I232 WeakPolarHBondContact O-CG1 3.46Å; F228-I232 PolarHBondContact O-N 3.29Å; E229-I232 WeakPolarHBondContact O-CB 3.3Å; E229-I232 PolarHBondContact O-N 3.4Å; E229-I232 VanDerWaalsContact O-N 3.16Å; H230-I232 VanDerWaalsContact C-N 3.3Å; H230-I232 PolarHBondContact O-N 3.23Å; I232-V234 VanDerWaalsContact C-N 3.25Å; I232-V234 PolarHBondContact O-N 2.91Å; I232-G235 PolarHBondContact O-N 3.39Å; I232-G235 VanDerWaalsContact O-N 3.08Å; I232-V239 HydrophobicContact CD1-CG1 3.95Å; I232-V239 HydrophobicContact CD1-CG2 4.22Å; I232-V239 HydrophobicContact CG1-CG1 3.63Å
233E96Very high96.7Very high54 Ų5420.8 Ų20.825%0.25212%0.12SC..Hα-helixtrans-60.4-36.1-179.5-72.3171.1-161.400111.7A24 R27 P29 E229 H230A24-E233 HydrophobicContact CB-CG 4.48Å; R27-E233 HydrophobicContact CB-CG 4.14Å; R27-E233 IonicContact CZ-OE1 2.82Å; R27-E233 VanDerWaalsContact CZ-OE1 3.23Å; R27-E233 IonicContact NE-OE1 2.72Å; R27-E233 PolarHBondContact NE-OE1 3.3Å; R27-E233 IonicContact NH2-OE1 2.75Å; R27-E233 PolarHBondContact NH2-OE1 3.18Å; P29-E233 WeakPolarHBondContact CD-O 3.33Å; E229-E233 WeakPolarHBondContact O-CG 3.35Å; E229-E233 PolarHBondContact O-N 2.95Å; H230-E233 PolarHBondContact O-N 3.14Å
234V95.6Very high96.6Very high24 Ų2423.3 Ų23.315%0.14513%0.132CC..Hα-helixtrans-88.4-3.6176.6-54.20000114.5L32 F197 L201 M222 H230 A231 I232L32-V234 WeakPolarHBondContact CD1-O 3.36Å; F197-V234 HydrophobicContact CB-CG2 3.86Å; F197-V234 HydrophobicContact CD2-CG2 3.94Å; F197-V234 HydrophobicContact CG-CG2 4.31Å; L201-V234 HydrophobicContact CD1-CB 4.25Å; L201-V234 HydrophobicContact CD1-CG2 4.36Å; L201-V234 VanDerWaalsContact CD1-O 3.29Å; L201-V234 WeakPolarHBondContact CD1-O 3.48Å; L201-V234 WeakPolarHBondContact CD2-O 3.26Å; M222-V234 HydrophobicContact CE-CG2 4.09Å; H230-V234 VanDerWaalsContact CE1-CG1 3.46Å; H230-V234 WeakPolarHBondContact CE1-CG1 3.38Å; H230-V234 WeakPolarHBondContact O-CG2 3.25Å; H230-V234 PolarHBondContact O-N 3.41Å; A231-V234 WeakPolarHBondContact O-CG2 2.97Å; A231-V234 PolarHBondContact O-N 3.22Å; I232-V234 VanDerWaalsContact C-N 3.25Å; I232-V234 PolarHBondContact O-N 2.91Å
235G96.3Very high96.6Very high3 Ų321.1 Ų21.13%0.03112%0.121CC..THydrogen-bonded Turntrans121.713.7168.700000117.5A231 I232 T237A231-G235 PolarHBondContact O-N 3.24Å; A231-G235 VanDerWaalsContact O-N 3.11Å; I232-G235 PolarHBondContact O-N 3.39Å; I232-G235 VanDerWaalsContact O-N 3.08Å; G235-T237 PolarHBondContact O-N 2.73Å
236A97.8Very high96.6Very high0 Ų020.7 Ų20.70%012%0.117CC..  trans-61130.4172.800000111.2R28 M222 A231 V239R28-A236 PolarHBondContact NH2-O 2.91Å; M222-A236 HydrophobicContact CE-CB 4Å; M222-A236 HydrophobicContact CG-CB 3.68Å; M222-A236 WeakPolarHBondContact O-CB 3.44Å; A231-A236 VanDerWaalsContact C-CB 3.44Å; A231-A236 HydrophobicContact CB-CB 3.85Å; A231-A236 WeakPolarHBondContact O-CB 3.42Å; A231-A236 PolarHBondContact O-N 3.37Å; A236-V239 HydrophobicContact CB-CG1 4.18Å
237T98.1Very high96.4Very high9 Ų917.9 Ų17.96%0.05511%0.107CC..SBendtrans-100.5-14.2174.365.40000112V35 P37 R38 E219 L220 G235V35-T237 HydrophobicContact CB-CG2 4.13Å; V35-T237 HydrophobicContact CG1-CG2 3.85Å; P37-T237 CarbonylContact C-O 3.59Å; P37-T237 WeakPolarHBondContact CA-O 3.43Å; R38-T237 PolarHBondContact N-O 3.05Å; E219-T237 WeakPolarHBondContact CA-OG1 3.35Å; E219-T237 WeakPolarHBondContact CB-OG1 3.37Å; L220-T237 PolarHBondContact N-OG1 2.82Å; L220-T237 PolarHBondContact O-N 2.72Å; L220-T237 PolarHBondContact O-OG1 2.99Å; G235-T237 PolarHBondContact O-N 2.73Å
238N98.5Very high95.7Very high0 Ų024 Ų240%014%0.14CC..EExtended strand (participates in β ladder)trans-131.4129.8170.6-63.2-105000109.1R38 M141 E219 L220 S221 M222R38-N238 VanDerWaalsContact CD-OD1 3.26Å; R38-N238 WeakPolarHBondContact CD-OD1 3.36Å; R38-N238 PolarHBondContact NH1-OD1 2.96Å; R38-N238 WeakPolarHBondContact O-CA 3.39Å; M141-N238 WeakPolarHBondContact CE-ND2 3.12Å; E219-N238 PolarHBondContact OE2-ND2 3.16Å; L220-N238 PolarHBondContact O-N 3.18Å; S221-N238 WeakPolarHBondContact CA-O 3.36Å; M222-N238 PolarHBondContact N-O 3.4Å; M222-N238 VanDerWaalsContact N-O 3.11Å; M222-N238 VanDerWaalsContact O-O 3.1Å
239V98.6Very high94.5Very high0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-120.5139.3172.7-67.50000110.5V21 R38 L39 V40 F228 A231 I232 A236 V241V21-V239 HydrophobicContact CG2-CG2 4.12Å; R38-V239 PolarHBondContact O-N 3.49Å; L39-V239 HydrophobicContact CD1-CG2 4.11Å; V40-V239 PolarHBondContact N-O 3.01Å; F228-V239 HydrophobicContact CB-CB 3.83Å; F228-V239 HydrophobicContact CB-CG1 3.85Å; F228-V239 HydrophobicContact CB-CG2 4.36Å; F228-V239 HydrophobicContact CD2-CG2 4.38Å; A231-V239 HydrophobicContact CB-CG1 4.47Å; I232-V239 HydrophobicContact CD1-CG1 3.95Å; I232-V239 HydrophobicContact CD1-CG2 4.22Å; I232-V239 HydrophobicContact CG1-CG1 3.63Å; A236-V239 HydrophobicContact CB-CG1 4.18Å; V239-V241 HydrophobicContact CG2-CG2 4.48Å
240R98.6Very high92.7Very high14 Ų1433 Ų335%0.05318%0.177CC..EExtended strand (participates in β ladder)trans-112.893.4-170-58.1179.8-56-89.3-2.8110.5V40 V42 T181 S221 G223 M224V40-R240 HydrophobicContact CB-CG 4.3Å; V40-R240 WeakPolarHBondContact O-CA 3.08Å; V42-R240 HydrophobicContact CG2-CB 3.81Å; T181-R240 PolarHBondContact O-NH1 3.32Å; T181-R240 PolarHBondContact O-NH2 2.89Å; S221-R240 PolarHBondContact O-NH1 2.85Å; S221-R240 PolarHBondContact OG-NH1 3Å; G223-R240 PolarHBondContact O-N 3.43Å; M224-R240 VanDerWaalsContact CA-O 3.31Å; M224-R240 WeakPolarHBondContact CA-O 3.35Å
241V98.3Very high90.5Very high0 Ų039.5 Ų39.50%020%0.201CC..EExtended strand (participates in β ladder)trans-108.1125.7-172.1-174.10000110.3V17 L39 V40 A41 V42 F228 V239 I244 I245V17-V241 HydrophobicContact CG1-CB 4.27Å; V17-V241 HydrophobicContact CG1-CG1 4.15Å; V17-V241 HydrophobicContact CG1-CG2 4.11Å; V17-V241 HydrophobicContact CG2-CG1 4.21Å; L39-V241 HydrophobicContact CD1-CB 3.83Å; L39-V241 HydrophobicContact CD1-CG2 3.64Å; V40-V241 PolarHBondContact O-N 3.3Å; A41-V241 WeakPolarHBondContact CA-O 3.46Å; V42-V241 PolarHBondContact N-O 3.29Å; F228-V241 HydrophobicContact CB-CG2 4.17Å; F228-V241 HydrophobicContact CD1-CG2 3.97Å; F228-V241 HydrophobicContact CD2-CG2 4.44Å; F228-V241 HydrophobicContact CE1-CG2 4.48Å; F228-V241 HydrophobicContact CG-CG2 3.93Å; V239-V241 HydrophobicContact CG2-CG2 4.48Å; V241-I244 HydrophobicContact CG1-CB 3.88Å; V241-I244 HydrophobicContact CG1-CD1 4.21Å; V241-I244 HydrophobicContact CG1-CG1 4.44Å; V241-I245 HydrophobicContact CB-CD1 4.18Å; V241-I245 HydrophobicContact CG1-CD1 4.23Å; V241-I245 HydrophobicContact CG1-CG1 4.13Å
242G96.4Very high87.7Confident11 Ų1145.6 Ų45.611%0.11324%0.241CC..  trans-122.2-70.3-177.800000112.7V42 S225 I244 I245 F246V42-G242 WeakPolarHBondContact O-CA 3.33Å; S225-G242 PolarHBondContact OG-N 3.24Å; G242-I244 VanDerWaalsContact C-N 3.26Å; G242-I244 PolarHBondContact O-N 3.44Å; G242-I245 PolarHBondContact O-N 2.92Å; G242-F246 PolarHBondContact O-N 3.38Å
243S93.8Very high84.9Confident64 Ų6452.1 Ų52.145%0.44828%0.275SS..Hα-helixtrans-58.5-31.5-172.952.70000114.7S225 I245 G247S225-S243 VanDerWaalsContact CB-OG 3.23Å; S225-S243 WeakPolarHBondContact CB-OG 3.2Å; S225-S243 PolarHBondContact OG-N 2.75Å; S225-S243 PolarHBondContact OG-OG 2.83Å; S243-I245 VanDerWaalsContact C-N 3.34Å; S243-G247 WeakPolarHBondContact O-CA 3.39Å; S243-G247 PolarHBondContact O-N 3.44Å
244I94.8Very high82.2Confident55 Ų5555.5 Ų55.528%0.28231%0.305SS..Hα-helixtrans-70-34.9176-65.6166.9000111.1A13 V17 S225 F228 V241 G242A13-I244 WeakPolarHBondContact CB-O 3.37Å; V17-I244 HydrophobicContact CG2-CB 4.14Å; V17-I244 HydrophobicContact CG2-CG2 3.38Å; S225-I244 WeakPolarHBondContact O-CD1 3.23Å; F228-I244 HydrophobicContact CE1-CD1 3.95Å; V241-I244 HydrophobicContact CG1-CB 3.88Å; V241-I244 HydrophobicContact CG1-CD1 4.21Å; V241-I244 HydrophobicContact CG1-CG1 4.44Å; G242-I244 VanDerWaalsContact C-N 3.26Å; G242-I244 PolarHBondContact O-N 3.44Å
245I96.4Very high79.3Confident4 Ų457 Ų572%0.02132%0.321CS..Hα-helixtrans-83.2-46.8-176.1-63.5176.6000111.1V10 V14 V17 L39 A41 V241 G242 S243V10-I245 HydrophobicContact CG1-CG2 4.31Å; V14-I245 HydrophobicContact CG2-CG2 3.53Å; V17-I245 HydrophobicContact CB-CG1 4.41Å; V17-I245 HydrophobicContact CG2-CG1 3.89Å; L39-I245 HydrophobicContact CD1-CD1 4.49Å; L39-I245 HydrophobicContact CD2-CD1 4.26Å; A41-I245 HydrophobicContact CB-CD1 3.91Å; V241-I245 HydrophobicContact CB-CD1 4.18Å; V241-I245 HydrophobicContact CG1-CD1 4.23Å; V241-I245 HydrophobicContact CG1-CG1 4.13Å; G242-I245 PolarHBondContact O-N 2.92Å; S243-I245 VanDerWaalsContact C-N 3.34Å
246F94.8Very high76.5Confident9 Ų964.9 Ų64.94%0.03936%0.361CS..Hα-helixtrans-111.72.9-168.3-57-71.6000113.7V10 A41 V42 K46 M50 A54 F62 G242V10-F246 HydrophobicContact CG1-CD1 4.09Å; V10-F246 HydrophobicContact CG1-CE1 3.98Å; V10-F246 HydrophobicContact CG2-CD1 4.29Å; A41-F246 HydrophobicContact CB-CE2 3.99Å; A41-F246 HydrophobicContact CB-CZ 4.09Å; V42-F246 VanDerWaalsContact O-CD2 3.25Å; V42-F246 WeakPolarHBondContact O-CD2 3.48Å; V42-F246 WeakPolarHBondContact O-CE2 3.35Å; K46-F246 HydrophobicContact CD-CB 3.76Å; K46-F246 WeakPolarHBondContact CE-O 3.43Å; K46-F246 HydrophobicContact CG-CB 3.74Å; K46-F246 HydrophobicContact CG-CD1 4.46Å; K46-F246 HydrophobicContact CG-CD2 4.47Å; K46-F246 HydrophobicContact CG-CG 4Å; K46-F246 PolarHBondContact NZ-O 3.24Å; M50-F246 HydrophobicContact CB-CD1 3.99Å; M50-F246 HydrophobicContact CB-CE1 4.21Å; M50-F246 HydrophobicContact CE-CB 3.94Å; M50-F246 HydrophobicContact CE-CD1 4.07Å; M50-F246 WeakPolarHBondContact CE-O 3.39Å; A54-F246 HydrophobicContact CB-CE1 4.1Å; A54-F246 HydrophobicContact CB-CZ 4.22Å; F62-F246 HydrophobicContact CD1-CZ 4.49Å; F62-F246 HydrophobicContact CE1-CZ 4.24Å; G242-F246 PolarHBondContact O-N 3.38Å
247G89.1Confident73.4Confident36 Ų3672.7 Ų72.737%0.37140%0.402SS..  trans68.6-172.7-175.300000114.2K46 S243K46-G247 PolarHBondContact NZ-O 3.36Å; S243-G247 WeakPolarHBondContact O-CA 3.39Å; S243-G247 PolarHBondContact O-N 3.44Å
248N80Confident70.3Confident143 Ų14378.4 Ų78.477%0.76544%0.437SS*.SBendtrans-64.5156.2-177.8-79.78.8000112.8K46 E250K46-N248 PolarHBondContact NZ-O 3.28Å; N248-E250 PolarHBondContact O-N 3.41Å
249R73.3Confident67.4Low122 Ų12284.3 Ų84.346%0.4648%0.476SS..  trans-64.7132.2-179.9-60.9179.9-168.5167.14.2109.9Y251R249-Y251 HydrophobicContact CB-CD2 4.5Å; R249-Y251 HydrophobicContact CB-CE2 4.1Å; R249-Y251 PolarHBondContact NH1-OH 2.95Å; R249-Y251 PolarHBondContact O-N 3.43Å
250E58.9Low64.4Low114 Ų11491.1 Ų91.153%0.53351%0.512SS..  trans-81.4105.7164.1-66.7-176.1-178.200106.7N248N248-E250 PolarHBondContact O-N 3.41Å
251Y49.6Very low61.5Low168 Ų16896.4 Ų96.466%0.65955%0.549SS*.  trans-80.6130.3161.9-64.9-77.6000106.5R249 N253R249-Y251 HydrophobicContact CB-CD2 4.5Å; R249-Y251 HydrophobicContact CB-CE2 4.1Å; R249-Y251 PolarHBondContact NH1-OH 2.95Å; R249-Y251 PolarHBondContact O-N 3.43Å; Y251-N253 PolarHBondContact O-N 2.74Å
252P39.6Very low58.5Low127 Ų127102.6 Ų102.683%0.82559%0.587SS**  trans-53.5123.9168.820.9-29000108S254P252-S254 PolarHBondContact O-N 2.88Å
253N38.4Very low55.8Low137 Ų137107.8 Ų107.873%0.73362%0.618SS**  trans-44.2119.5-163-132.6-7.9000113.4Y251 A255Y251-N253 PolarHBondContact O-N 2.74Å; N253-A255 HydrophobicContact CB-CB 3.92Å; N253-A255 VanDerWaalsContact ND2-CB 3.35Å; N253-A255 WeakPolarHBondContact ND2-CB 3.3Å; N253-A255 PolarHBondContact O-N 3.21Å; N253-A255 WeakPolarHBondContact OD1-CB 3.31Å
254S38.6Very low53.2Low126 Ų126112.3 Ų112.388%0.88164%0.638SS**  trans-71.776.1146.860.10000107.6P252P252-S254 PolarHBondContact O-N 2.88Å
255A36.1Very low50.4Low56 Ų56115.4 Ų115.446%0.46366%0.661SS.*  trans-140.985.5174.900000110.9N253N253-A255 HydrophobicContact CB-CB 3.92Å; N253-A255 VanDerWaalsContact ND2-CB 3.35Å; N253-A255 WeakPolarHBondContact ND2-CB 3.3Å; N253-A255 PolarHBondContact O-N 3.21Å; N253-A255 WeakPolarHBondContact OD1-CB 3.31Å
256L36.5Very low47.5Very low168 Ų168120.8 Ų120.888%0.8870%0.699SS**  trans-147.186.9138.4-81.9-179000106.7
257N33.5Very low45.2Very low163 Ų163126 Ų12687%0.87273%0.734SS**  trans-170.772.6149.1-96.5-10.8000108.8
258T32.3Very low42.6Very low129 Ų129132.2 Ų132.279%0.79176%0.757SS**  trans-96.1115.2150.748.70000106.8N260T258-N260 PolarHBondContact O-N 3.1Å
259P38.7Very low40.5Very low125 Ų125130.7 Ų130.781%0.81276%0.755SS**PPolyproline II helixtrans-71.5123.7165-2.718.9000107.9
260N34.7Very low39Very low142 Ų142130.4 Ų130.476%0.75977%0.772SS**PPolyproline II helixtrans-57148.8168.5-92.8-20.3000110.6T258 T262T258-N260 PolarHBondContact O-N 3.1Å; N260-T262 PolarHBondContact O-N 3.46Å
261P38.8Very low37.9Very low126 Ų126131.1 Ų131.182%0.81879%0.787SS**PPolyproline II helixtrans-79.2121176.432.3-29.5000109.3
262T35.4Very low37.4Very low130 Ų130127.5 Ų127.580%0.79879%0.791SS**  trans-117.1146.5163.545.40000110.1N260N260-T262 PolarHBondContact O-N 3.46Å
263P39Very low37.5Very low119 Ų119127.4 Ų127.477%0.77379%0.791SS**  trans-79.4150.4-157.932.4-34.7000112.9
264N38Very low37.2Very low160 Ų160126.5 Ų126.586%0.85680%0.795SS**  trans-41.7144.7171.7-97-9000113.8
265P36.6Very low37.1Very low120 Ų120126.3 Ų126.378%0.77979%0.791SS**  trans-116.7145130.330.5-20000111.9
266S36.3Very low37.1Very low117 Ų117132.7 Ų132.782%0.81881%0.811SS**  trans-53164.4-174.8-52.60000116.3
267P45.3Very low36.9Very low117 Ų117134 Ų13476%0.7681%0.81SS**  trans-95.9151.3-159.737.1-31.5000113.3
268L34.1Very low36.7Very low167 Ų167132.5 Ų132.587%0.87481%0.807SS**  trans-165.4158.3166.2-104.2169.9000109.7
269P37.5Very low36.6Very low111 Ų111133.1 Ų133.172%0.72181%0.811SS**  -112.1169.2-89.537.1-25.3000113.8
270S40.2Very low36.4Very low117 Ų117136.6 Ų136.682%0.81881%0.813SS**PPolyproline II helixtrans-54.7140178.5-51.10000114.3
271P37.3Very low36.3Very low129 Ų129136.2 Ų136.284%0.83882%0.816SS**PPolyproline II helixtrans-91.8137.2160.120.4-6.5000112.1
272A38.6Very low36.1Very low91 Ų91137.3 Ų137.375%0.75282%0.82SS**PPolyproline II helixtrans-74.6171.1173.700000111.9
273P42Very low36Very low125 Ų125135.8 Ų135.881%0.81282%0.815SS**PPolyproline II helixtrans-84.8163.4-153.935.5-34.4000113.5
274S32.7Very low35.7Very low118 Ų118139.1 Ų139.183%0.82582%0.82SS**  trans-140.3155.7170.2-79.60000111.4
275P36Very low35.3Very low122 Ų122140.9 Ų140.979%0.79282%0.823SS**  trans-100167.6-135.437.3-35.2000115.3
276E34.5Very low35Very low190 Ų190140.4 Ų140.489%0.88883%0.829SS**  trans-42.7144.2178.1-66.5173.8134.700116.4
277K32.4Very low34.6Very low197 Ų197139.4 Ų139.486%0.85783%0.828SS**  trans-142.8104.9141.4-91.6-174.9178.7171.70111.8
278T30.4Very low34Very low131 Ų131143.7 Ų143.780%0.80484%0.835SS**  trans48.7101.113620.80000120.2
279T30.9Very low34Very low142 Ų142145.3 Ų145.387%0.87184%0.835SS**PPolyproline II helixtrans-93.2118.1158.4-350000109.2
280K34.3Very low33.8Very low197 Ų197148.8 Ų148.886%0.85784%0.843SS**PPolyproline II helixtrans-84.5117.1163.8-86.9-174.9175.4-178.40108.6
281T32.9Very low33.5Very low134 Ų134151.8 Ų151.882%0.82284%0.844SS**PPolyproline II helixtrans-66.3137.2164.122.90000110.4
282V33.7Very low33.4Very low149 Ų149153.1 Ų153.190%0.90384%0.839SS**  trans-115.9117.2158.2-179.90000106.1
283S33.8Very low33.1Very low99 Ų99156 Ų15669%0.69284%0.841SS**  trans-94.2144.2-179.651.20000111.8
284E31.6Very low32.8Very low189 Ų189155.5 Ų155.588%0.88384%0.836SS**  trans9.6114142.8-70.5172140.300118.8
285E29.6Very low33Very low196 Ų196156.7 Ų156.792%0.91684%0.838SS**  trans-158.5112.2143.2-118176.8179.200109.5
286A29.9Very low33Very low110 Ų110156.3 Ų156.391%0.90984%0.838SS**  trans151.960149.300000112.2
287A29.2Very low33.3Very low96 Ų96155.5 Ų155.579%0.79383%0.834SS**  trans-118.5130.6152.800000108.3
288K32.4Very low33.8Very low207 Ų207158.8 Ų158.890%0.985%0.852SS**  trans7899.1174.3-66.1177.61751750117.8
289K33.3Very low33.9Very low201 Ų201160.2 Ų160.287%0.87485%0.854SS**  -163.3111.5122-107.2169.8-174.7179.30110.1
290M33Very low34.1Very low184 Ų184161.1 Ų161.191%0.90685%0.853SS**  trans149.4102.1130.9-72.4-123.7134.300110.9
291H35.6Very low34.1Very low180 Ų180159.1 Ų159.183%0.83385%0.853SS**  trans-83.3153.3160.6-112.5-67.2000109
292H33.3Very low34.2Very low157 Ų157160.6 Ų160.673%0.72786%0.855SS**  trans85.6112.9156.7-99.550.2000119.2
293L33.1Very low34.2Very low151 Ų151161.3 Ų161.379%0.79185%0.852SS**  178.8101.4114.3-89.9150.6000107.6
294T35.7Very low34.2Very low116 Ų116165.5 Ų165.571%0.71286%0.863SS**  79.7125.5101.147.90000116
295V37.4Very low34.4Very low142 Ų142163.8 Ų163.886%0.86186%0.861SS**  trans-61.3136.3163.2174.70000110.9
296S35.5Very low34.8Very low114 Ų114161.3 Ų161.380%0.79786%0.857SS**  trans-163.7142.9140.863.50000110.7
297E40.7Very low35.2Very low174 Ų174165.6 Ų165.681%0.81385%0.853SS**  trans-55.7155.1-170.3-59.2159.4129.300116.2
298H42.6Very low35.7Very low265 Ų265171.9 Ų171.9100%1.22786%0.858SS**  -162.60115.2-93.831.1000109.4

Retrieved 298 of 298 residues in 276.9 ms (Link to these results)

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